USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 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 72 HIS : no HE2:sc= -3.15! C(o=-5.9!,f=-13!) USER MOD Set 1.2: A 98 GLN : amide:sc= -2.72! C(o=-5.9!,f=-11!) USER MOD Single : A 15 THR OG1 : rot 11:sc= 0.671 USER MOD Single : A 17 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.2) USER MOD Single : A 18 ASN : amide:sc= -0.583! C(o=-0.58!,f=-16!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -44:sc= 1.36 USER MOD Single : A 37 SER OG : rot -31:sc= 0.396 USER MOD Single : A 39 SER OG : rot 180:sc= -0.911 USER MOD Single : A 41 TYR OH : rot 165:sc= -0.0631 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.981 (180deg=-2.99!) USER MOD Single : A 50 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.634) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.192) USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0611 (180deg=-0.477) USER MOD Single : A 78 ASN : amide:sc= -1.1 K(o=-1.1,f=-12!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -5.38! C(o=-5.4!,f=-5.6!) USER MOD Single : A 95 CYS SG : rot 180:sc= -2.72 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -57:sc= -3.11! USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.839 12.458 4.857 1.00 0.00 N ATOM 67 CA VAL A 8 8.624 11.653 4.838 1.00 0.00 C ATOM 68 C VAL A 8 7.435 12.463 4.333 1.00 0.00 C ATOM 69 O VAL A 8 7.321 13.657 4.613 1.00 0.00 O ATOM 70 CB VAL A 8 8.296 11.098 6.237 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.970 12.231 7.197 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.146 10.105 6.160 1.00 0.00 C ATOM 0 HA VAL A 8 8.807 10.820 4.159 1.00 0.00 H new ATOM 0 HB VAL A 8 9.173 10.574 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.741 11.820 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.827 12.900 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.108 12.786 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.928 9.723 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.262 10.602 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.423 9.277 5.507 1.00 0.00 H new ATOM 82 N ILE A 9 6.553 11.807 3.588 1.00 0.00 N ATOM 83 CA ILE A 9 5.371 12.466 3.045 1.00 0.00 C ATOM 84 C ILE A 9 4.125 12.109 3.848 1.00 0.00 C ATOM 85 O ILE A 9 3.344 12.983 4.224 1.00 0.00 O ATOM 86 CB ILE A 9 5.144 12.089 1.569 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.421 12.318 0.759 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.990 12.893 0.989 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.304 11.891 -0.687 1.00 0.00 C ATOM 0 H ILE A 9 6.634 10.819 3.346 1.00 0.00 H new ATOM 0 HA ILE A 9 5.549 13.539 3.113 1.00 0.00 H new ATOM 0 HB ILE A 9 4.887 11.031 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.681 13.376 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.240 11.771 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.842 12.616 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.081 12.684 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.219 13.957 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.246 12.083 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.075 10.826 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.507 12.456 -1.170 1.00 0.00 H new ATOM 101 N ARG A 10 3.945 10.818 4.108 1.00 0.00 N ATOM 102 CA ARG A 10 2.794 10.344 4.867 1.00 0.00 C ATOM 103 C ARG A 10 3.129 9.059 5.618 1.00 0.00 C ATOM 104 O ARG A 10 3.962 8.268 5.174 1.00 0.00 O ATOM 105 CB ARG A 10 1.605 10.107 3.934 1.00 0.00 C ATOM 106 CG ARG A 10 0.315 9.771 4.666 1.00 0.00 C ATOM 107 CD ARG A 10 -0.481 11.025 4.995 1.00 0.00 C ATOM 108 NE ARG A 10 -0.003 11.671 6.215 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.197 12.956 6.489 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.855 13.728 5.636 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.268 13.472 7.620 1.00 0.00 N ATOM 0 H ARG A 10 4.582 10.081 3.804 1.00 0.00 H new ATOM 0 HA ARG A 10 2.529 11.111 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.447 10.998 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.847 9.294 3.250 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.291 9.105 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.546 9.234 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.414 11.726 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.534 10.767 5.110 1.00 0.00 H new ATOM 0 HE ARG A 10 0.507 11.105 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.214 13.336 4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.002 14.714 5.850 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.775 12.882 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.119 14.459 7.830 1.00 0.00 H new ATOM 125 N ARG A 11 2.476 8.859 6.758 1.00 0.00 N ATOM 126 CA ARG A 11 2.707 7.672 7.572 1.00 0.00 C ATOM 127 C ARG A 11 1.426 7.243 8.282 1.00 0.00 C ATOM 128 O ARG A 11 0.470 8.011 8.378 1.00 0.00 O ATOM 129 CB ARG A 11 3.808 7.937 8.600 1.00 0.00 C ATOM 130 CG ARG A 11 5.185 8.122 7.983 1.00 0.00 C ATOM 131 CD ARG A 11 6.289 7.833 8.988 1.00 0.00 C ATOM 132 NE ARG A 11 6.177 8.670 10.180 1.00 0.00 N ATOM 133 CZ ARG A 11 7.148 8.805 11.076 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.296 8.162 10.917 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.971 9.586 12.135 1.00 0.00 N ATOM 0 H ARG A 11 1.783 9.503 7.139 1.00 0.00 H new ATOM 0 HA ARG A 11 3.024 6.865 6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.552 8.829 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.843 7.106 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.292 7.460 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.285 9.143 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.250 6.783 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.259 7.998 8.519 1.00 0.00 H new ATOM 0 HE ARG A 11 5.306 9.178 10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.436 7.561 10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.040 8.268 11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.089 10.083 12.261 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.717 9.689 12.823 1.00 0.00 H new ATOM 149 N GLY A 12 1.415 6.009 8.779 1.00 0.00 N ATOM 150 CA GLY A 12 0.247 5.499 9.473 1.00 0.00 C ATOM 151 C GLY A 12 0.124 3.992 9.370 1.00 0.00 C ATOM 152 O GLY A 12 0.712 3.374 8.483 1.00 0.00 O ATOM 0 H GLY A 12 2.194 5.354 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.298 5.785 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.649 5.963 9.060 1.00 0.00 H new ATOM 156 N TRP A 13 -0.640 3.399 10.280 1.00 0.00 N ATOM 157 CA TRP A 13 -0.837 1.954 10.289 1.00 0.00 C ATOM 158 C TRP A 13 -1.942 1.549 9.320 1.00 0.00 C ATOM 159 O TRP A 13 -3.056 2.071 9.380 1.00 0.00 O ATOM 160 CB TRP A 13 -1.178 1.474 11.701 1.00 0.00 C ATOM 161 CG TRP A 13 -0.082 1.719 12.693 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.361 2.930 13.143 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.711 0.728 13.356 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.381 2.752 14.046 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.614 1.410 14.194 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.744 -0.669 13.324 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.539 0.741 14.991 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.663 -1.331 14.116 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.550 -0.626 14.941 1.00 0.00 C ATOM 0 H TRP A 13 -1.133 3.896 11.021 1.00 0.00 H new ATOM 0 HA TRP A 13 0.092 1.484 9.968 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.084 1.978 12.039 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.399 0.407 11.671 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.033 3.887 12.834 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.883 3.498 14.528 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.064 -1.221 12.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.224 1.282 15.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.698 -2.410 14.099 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.256 -1.173 15.549 1.00 0.00 H new ATOM 180 N LEU A 14 -1.628 0.616 8.428 1.00 0.00 N ATOM 181 CA LEU A 14 -2.596 0.141 7.445 1.00 0.00 C ATOM 182 C LEU A 14 -2.865 -1.350 7.623 1.00 0.00 C ATOM 183 O LEU A 14 -2.067 -2.069 8.225 1.00 0.00 O ATOM 184 CB LEU A 14 -2.089 0.414 6.028 1.00 0.00 C ATOM 185 CG LEU A 14 -2.469 1.768 5.428 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.734 1.996 4.116 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.974 1.856 5.221 1.00 0.00 C ATOM 0 H LEU A 14 -0.711 0.173 8.365 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.530 0.681 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.002 0.333 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.466 -0.370 5.372 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.172 2.550 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.017 2.965 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.659 1.977 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.999 1.210 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.226 2.826 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.295 1.066 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.480 1.739 6.179 1.00 0.00 H new ATOM 199 N THR A 15 -3.994 -1.809 7.093 1.00 0.00 N ATOM 200 CA THR A 15 -4.369 -3.214 7.192 1.00 0.00 C ATOM 201 C THR A 15 -4.413 -3.870 5.816 1.00 0.00 C ATOM 202 O THR A 15 -5.389 -3.725 5.080 1.00 0.00 O ATOM 203 CB THR A 15 -5.740 -3.384 7.873 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.724 -2.770 9.166 1.00 0.00 O ATOM 205 CG2 THR A 15 -6.098 -4.856 8.009 1.00 0.00 C ATOM 0 H THR A 15 -4.665 -1.228 6.591 1.00 0.00 H new ATOM 0 HA THR A 15 -3.607 -3.702 7.800 1.00 0.00 H new ATOM 0 HB THR A 15 -6.493 -2.900 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.908 -2.236 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.070 -4.951 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.138 -5.313 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.342 -5.360 8.611 1.00 0.00 H new ATOM 213 N ILE A 16 -3.350 -4.591 5.476 1.00 0.00 N ATOM 214 CA ILE A 16 -3.269 -5.271 4.189 1.00 0.00 C ATOM 215 C ILE A 16 -4.356 -6.332 4.058 1.00 0.00 C ATOM 216 O ILE A 16 -4.143 -7.498 4.387 1.00 0.00 O ATOM 217 CB ILE A 16 -1.894 -5.933 3.987 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.781 -4.886 4.072 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.845 -6.658 2.651 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.609 -5.482 4.088 1.00 0.00 C ATOM 0 H ILE A 16 -2.533 -4.719 6.073 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.413 -4.511 3.421 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.741 -6.664 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.867 -4.207 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.922 -4.290 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.866 -7.120 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.616 -7.428 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.017 -5.946 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.347 -4.682 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.713 -6.139 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.770 -6.055 3.175 1.00 0.00 H new ATOM 232 N ASN A 17 -5.523 -5.919 3.573 1.00 0.00 N ATOM 233 CA ASN A 17 -6.644 -6.835 3.397 1.00 0.00 C ATOM 234 C ASN A 17 -6.175 -8.164 2.812 1.00 0.00 C ATOM 235 O ASN A 17 -6.661 -9.228 3.193 1.00 0.00 O ATOM 236 CB ASN A 17 -7.702 -6.209 2.486 1.00 0.00 C ATOM 237 CG ASN A 17 -8.727 -5.402 3.259 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.438 -4.881 4.336 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.931 -5.294 2.711 1.00 0.00 N ATOM 0 H ASN A 17 -5.717 -4.957 3.295 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.083 -7.025 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.213 -5.565 1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.209 -6.996 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.661 -4.762 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.126 -5.743 1.816 1.00 0.00 H new ATOM 246 N ASN A 18 -5.226 -8.093 1.883 1.00 0.00 N ATOM 247 CA ASN A 18 -4.691 -9.290 1.245 1.00 0.00 C ATOM 248 C ASN A 18 -3.188 -9.405 1.479 1.00 0.00 C ATOM 249 O ASN A 18 -2.388 -8.839 0.733 1.00 0.00 O ATOM 250 CB ASN A 18 -4.984 -9.268 -0.256 1.00 0.00 C ATOM 251 CG ASN A 18 -4.283 -8.126 -0.965 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.165 -7.025 -0.427 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.814 -8.383 -2.181 1.00 0.00 N ATOM 0 H ASN A 18 -4.812 -7.220 1.556 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.178 -10.157 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.671 -10.214 -0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.059 -9.184 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.334 -7.653 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.934 -9.310 -2.588 1.00 0.00 H new ATOM 395 N GLU A 28 -1.821 -5.670 10.368 1.00 0.00 N ATOM 396 CA GLU A 28 -1.470 -4.260 10.484 1.00 0.00 C ATOM 397 C GLU A 28 0.043 -4.069 10.421 1.00 0.00 C ATOM 398 O GLU A 28 0.800 -4.818 11.039 1.00 0.00 O ATOM 399 CB GLU A 28 -2.014 -3.682 11.792 1.00 0.00 C ATOM 400 CG GLU A 28 -2.142 -2.168 11.783 1.00 0.00 C ATOM 401 CD GLU A 28 -3.485 -1.699 11.258 1.00 0.00 C ATOM 402 OE1 GLU A 28 -4.481 -1.800 12.005 1.00 0.00 O ATOM 403 OE2 GLU A 28 -3.541 -1.232 10.101 1.00 0.00 O ATOM 0 HA GLU A 28 -1.921 -3.730 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.992 -4.119 11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.358 -3.978 12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.999 -1.789 12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.348 -1.744 11.169 1.00 0.00 H new ATOM 410 N TYR A 29 0.475 -3.062 9.671 1.00 0.00 N ATOM 411 CA TYR A 29 1.897 -2.774 9.524 1.00 0.00 C ATOM 412 C TYR A 29 2.147 -1.269 9.490 1.00 0.00 C ATOM 413 O TYR A 29 1.229 -0.481 9.266 1.00 0.00 O ATOM 414 CB TYR A 29 2.441 -3.421 8.250 1.00 0.00 C ATOM 415 CG TYR A 29 2.636 -4.916 8.365 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.608 -5.797 8.049 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.846 -5.448 8.792 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.781 -7.163 8.154 1.00 0.00 C ATOM 419 CE2 TYR A 29 4.028 -6.813 8.899 1.00 0.00 C ATOM 420 CZ TYR A 29 2.993 -7.667 8.579 1.00 0.00 C ATOM 421 OH TYR A 29 3.170 -9.027 8.685 1.00 0.00 O ATOM 0 H TYR A 29 -0.139 -2.431 9.155 1.00 0.00 H new ATOM 0 HA TYR A 29 2.417 -3.192 10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.757 -3.215 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.394 -2.957 7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.658 -5.406 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.658 -4.783 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.972 -7.833 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.976 -7.210 9.232 1.00 0.00 H new ATOM 0 HH TYR A 29 4.080 -9.215 8.996 1.00 0.00 H new ATOM 431 N TRP A 30 3.397 -0.879 9.714 1.00 0.00 N ATOM 432 CA TRP A 30 3.770 0.531 9.709 1.00 0.00 C ATOM 433 C TRP A 30 4.175 0.982 8.310 1.00 0.00 C ATOM 434 O TRP A 30 5.342 0.887 7.930 1.00 0.00 O ATOM 435 CB TRP A 30 4.916 0.780 10.690 1.00 0.00 C ATOM 436 CG TRP A 30 5.372 2.208 10.721 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.575 2.693 10.296 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.631 3.334 11.205 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.628 4.053 10.486 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.447 4.470 11.041 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.358 3.493 11.758 1.00 0.00 C ATOM 442 CZ2 TRP A 30 5.029 5.746 11.413 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.945 4.759 12.126 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.778 5.872 11.951 1.00 0.00 C ATOM 0 H TRP A 30 4.169 -1.519 9.901 1.00 0.00 H new ATOM 0 HA TRP A 30 2.902 1.112 10.021 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.599 0.486 11.690 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.759 0.143 10.422 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.369 2.096 9.873 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.418 4.654 10.252 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.708 2.641 11.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.670 6.605 11.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.963 4.893 12.556 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.425 6.849 12.247 1.00 0.00 H new ATOM 455 N PHE A 31 3.204 1.473 7.546 1.00 0.00 N ATOM 456 CA PHE A 31 3.461 1.938 6.188 1.00 0.00 C ATOM 457 C PHE A 31 4.022 3.357 6.196 1.00 0.00 C ATOM 458 O PHE A 31 3.383 4.286 6.689 1.00 0.00 O ATOM 459 CB PHE A 31 2.176 1.890 5.359 1.00 0.00 C ATOM 460 CG PHE A 31 1.930 0.558 4.710 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.234 -0.436 5.380 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.394 0.299 3.431 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.007 -1.663 4.786 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.170 -0.926 2.831 1.00 0.00 C ATOM 465 CZ PHE A 31 1.475 -1.908 3.509 1.00 0.00 C ATOM 0 H PHE A 31 2.232 1.559 7.844 1.00 0.00 H new ATOM 0 HA PHE A 31 4.201 1.276 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.330 2.134 6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.222 2.658 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.865 -0.249 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.938 1.064 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.464 -2.430 5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.538 -1.115 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.298 -2.866 3.042 1.00 0.00 H new ATOM 475 N VAL A 32 5.222 3.515 5.647 1.00 0.00 N ATOM 476 CA VAL A 32 5.871 4.819 5.589 1.00 0.00 C ATOM 477 C VAL A 32 6.139 5.237 4.148 1.00 0.00 C ATOM 478 O VAL A 32 7.063 4.735 3.506 1.00 0.00 O ATOM 479 CB VAL A 32 7.200 4.820 6.368 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.922 6.147 6.191 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.954 4.530 7.841 1.00 0.00 C ATOM 0 H VAL A 32 5.765 2.755 5.236 1.00 0.00 H new ATOM 0 HA VAL A 32 5.188 5.533 6.050 1.00 0.00 H new ATOM 0 HB VAL A 32 7.837 4.031 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.858 6.129 6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.132 6.309 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.293 6.956 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.904 4.535 8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.299 5.295 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.483 3.553 7.946 1.00 0.00 H new ATOM 491 N LEU A 33 5.326 6.158 3.644 1.00 0.00 N ATOM 492 CA LEU A 33 5.475 6.645 2.277 1.00 0.00 C ATOM 493 C LEU A 33 6.453 7.814 2.219 1.00 0.00 C ATOM 494 O LEU A 33 6.280 8.818 2.910 1.00 0.00 O ATOM 495 CB LEU A 33 4.118 7.072 1.715 1.00 0.00 C ATOM 496 CG LEU A 33 4.117 7.579 0.273 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.938 6.422 -0.699 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.026 8.620 0.073 1.00 0.00 C ATOM 0 H LEU A 33 4.556 6.583 4.161 1.00 0.00 H new ATOM 0 HA LEU A 33 5.873 5.832 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.437 6.223 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.713 7.856 2.355 1.00 0.00 H new ATOM 0 HG LEU A 33 5.080 8.050 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.940 6.802 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.756 5.712 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.990 5.922 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.041 8.969 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.055 8.176 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.199 9.462 0.743 1.00 0.00 H new ATOM 510 N THR A 34 7.481 7.678 1.387 1.00 0.00 N ATOM 511 CA THR A 34 8.486 8.723 1.237 1.00 0.00 C ATOM 512 C THR A 34 8.725 9.049 -0.233 1.00 0.00 C ATOM 513 O THR A 34 8.468 8.227 -1.111 1.00 0.00 O ATOM 514 CB THR A 34 9.823 8.314 1.884 1.00 0.00 C ATOM 515 OG1 THR A 34 10.362 7.169 1.214 1.00 0.00 O ATOM 516 CG2 THR A 34 9.635 8.002 3.361 1.00 0.00 C ATOM 0 H THR A 34 7.639 6.854 0.807 1.00 0.00 H new ATOM 0 HA THR A 34 8.101 9.607 1.745 1.00 0.00 H new ATOM 0 HB THR A 34 10.518 9.149 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.649 6.515 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.592 7.716 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.252 8.885 3.873 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.926 7.182 3.472 1.00 0.00 H new ATOM 524 N ALA A 35 9.220 10.255 -0.494 1.00 0.00 N ATOM 525 CA ALA A 35 9.496 10.689 -1.858 1.00 0.00 C ATOM 526 C ALA A 35 10.387 9.685 -2.583 1.00 0.00 C ATOM 527 O ALA A 35 10.452 9.675 -3.812 1.00 0.00 O ATOM 528 CB ALA A 35 10.144 12.065 -1.853 1.00 0.00 C ATOM 0 H ALA A 35 9.438 10.949 0.221 1.00 0.00 H new ATOM 0 HA ALA A 35 8.548 10.748 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.345 12.376 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.472 12.782 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.080 12.024 -1.296 1.00 0.00 H new ATOM 534 N GLU A 36 11.071 8.844 -1.814 1.00 0.00 N ATOM 535 CA GLU A 36 11.959 7.838 -2.385 1.00 0.00 C ATOM 536 C GLU A 36 11.192 6.561 -2.716 1.00 0.00 C ATOM 537 O GLU A 36 11.088 6.170 -3.878 1.00 0.00 O ATOM 538 CB GLU A 36 13.101 7.525 -1.416 1.00 0.00 C ATOM 539 CG GLU A 36 14.160 8.612 -1.351 1.00 0.00 C ATOM 540 CD GLU A 36 15.530 8.071 -0.990 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.652 7.430 0.075 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.479 8.288 -1.772 1.00 0.00 O ATOM 0 H GLU A 36 11.027 8.839 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 36 12.376 8.240 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.688 7.372 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.572 6.588 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.216 9.118 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.863 9.360 -0.615 1.00 0.00 H new ATOM 549 N SER A 37 10.658 5.915 -1.684 1.00 0.00 N ATOM 550 CA SER A 37 9.905 4.679 -1.864 1.00 0.00 C ATOM 551 C SER A 37 8.991 4.422 -0.669 1.00 0.00 C ATOM 552 O SER A 37 9.072 5.110 0.349 1.00 0.00 O ATOM 553 CB SER A 37 10.859 3.498 -2.054 1.00 0.00 C ATOM 554 OG SER A 37 11.879 3.812 -2.986 1.00 0.00 O ATOM 0 H SER A 37 10.733 6.227 -0.716 1.00 0.00 H new ATOM 0 HA SER A 37 9.288 4.785 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.306 3.230 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.301 2.628 -2.400 1.00 0.00 H new ATOM 0 HG SER A 37 11.533 4.445 -3.649 1.00 0.00 H new ATOM 560 N LEU A 38 8.121 3.426 -0.802 1.00 0.00 N ATOM 561 CA LEU A 38 7.191 3.076 0.266 1.00 0.00 C ATOM 562 C LEU A 38 7.580 1.752 0.915 1.00 0.00 C ATOM 563 O LEU A 38 7.621 0.714 0.255 1.00 0.00 O ATOM 564 CB LEU A 38 5.765 2.989 -0.282 1.00 0.00 C ATOM 565 CG LEU A 38 4.765 2.209 0.572 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.231 3.081 1.698 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.623 1.687 -0.288 1.00 0.00 C ATOM 0 H LEU A 38 8.040 2.847 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 38 7.236 3.858 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.386 4.002 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.804 2.530 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 38 5.280 1.356 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.521 2.509 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.058 3.406 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.731 3.953 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.921 1.134 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.109 2.525 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.020 1.027 -1.059 1.00 0.00 H new ATOM 579 N SER A 39 7.864 1.796 2.213 1.00 0.00 N ATOM 580 CA SER A 39 8.252 0.600 2.952 1.00 0.00 C ATOM 581 C SER A 39 7.388 0.428 4.197 1.00 0.00 C ATOM 582 O SER A 39 7.060 1.399 4.878 1.00 0.00 O ATOM 583 CB SER A 39 9.728 0.676 3.348 1.00 0.00 C ATOM 584 OG SER A 39 10.560 0.748 2.203 1.00 0.00 O ATOM 0 H SER A 39 7.833 2.647 2.775 1.00 0.00 H new ATOM 0 HA SER A 39 8.101 -0.263 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.894 1.550 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.994 -0.199 3.941 1.00 0.00 H new ATOM 0 HG SER A 39 11.498 0.797 2.483 1.00 0.00 H new ATOM 590 N TRP A 40 7.023 -0.816 4.488 1.00 0.00 N ATOM 591 CA TRP A 40 6.197 -1.117 5.652 1.00 0.00 C ATOM 592 C TRP A 40 6.984 -1.912 6.688 1.00 0.00 C ATOM 593 O TRP A 40 7.577 -2.944 6.373 1.00 0.00 O ATOM 594 CB TRP A 40 4.952 -1.900 5.230 1.00 0.00 C ATOM 595 CG TRP A 40 5.254 -3.053 4.322 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.483 -4.348 4.691 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.362 -3.015 2.895 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.727 -5.118 3.579 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.658 -4.324 2.465 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.236 -2.004 1.939 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.830 -4.644 1.121 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.408 -2.324 0.605 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.701 -3.635 0.206 1.00 0.00 C ATOM 0 H TRP A 40 7.286 -1.632 3.935 1.00 0.00 H new ATOM 0 HA TRP A 40 5.890 -0.173 6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.446 -2.272 6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.259 -1.224 4.729 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.474 -4.713 5.707 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.927 -6.118 3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.008 -0.991 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.057 -5.653 0.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.315 -1.550 -0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.827 -3.853 -0.844 1.00 0.00 H new ATOM 614 N TYR A 41 6.986 -1.425 7.924 1.00 0.00 N ATOM 615 CA TYR A 41 7.704 -2.089 9.005 1.00 0.00 C ATOM 616 C TYR A 41 6.733 -2.766 9.968 1.00 0.00 C ATOM 617 O TYR A 41 5.523 -2.781 9.740 1.00 0.00 O ATOM 618 CB TYR A 41 8.572 -1.083 9.763 1.00 0.00 C ATOM 619 CG TYR A 41 9.350 -0.154 8.859 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.709 0.852 8.147 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.726 -0.282 8.718 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.415 1.703 7.319 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.441 0.566 7.894 1.00 0.00 C ATOM 624 CZ TYR A 41 10.781 1.557 7.197 1.00 0.00 C ATOM 625 OH TYR A 41 11.490 2.402 6.374 1.00 0.00 O ATOM 0 H TYR A 41 6.499 -0.573 8.202 1.00 0.00 H new ATOM 0 HA TYR A 41 8.345 -2.853 8.565 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.936 -0.489 10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.270 -1.626 10.400 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.640 0.971 8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.246 -1.057 9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.900 2.478 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.511 0.454 7.796 1.00 0.00 H new ATOM 0 HH TYR A 41 12.446 2.329 6.576 1.00 0.00 H new ATOM 635 N LYS A 42 7.272 -3.326 11.046 1.00 0.00 N ATOM 636 CA LYS A 42 6.456 -4.003 12.046 1.00 0.00 C ATOM 637 C LYS A 42 5.686 -2.996 12.894 1.00 0.00 C ATOM 638 O LYS A 42 4.464 -3.077 13.015 1.00 0.00 O ATOM 639 CB LYS A 42 7.334 -4.877 12.944 1.00 0.00 C ATOM 640 CG LYS A 42 7.602 -6.259 12.375 1.00 0.00 C ATOM 641 CD LYS A 42 6.385 -7.159 12.499 1.00 0.00 C ATOM 642 CE LYS A 42 6.292 -7.783 13.883 1.00 0.00 C ATOM 643 NZ LYS A 42 5.401 -8.976 13.895 1.00 0.00 N ATOM 0 H LYS A 42 8.272 -3.324 11.249 1.00 0.00 H new ATOM 0 HA LYS A 42 5.738 -4.635 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.285 -4.371 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.854 -4.981 13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.886 -6.173 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.445 -6.711 12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.482 -6.582 12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.435 -7.946 11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.288 -8.070 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.918 -7.043 14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.364 -9.372 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.444 -8.697 13.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.772 -9.693 13.239 1.00 0.00 H new ATOM 657 N ASP A 43 6.409 -2.046 13.477 1.00 0.00 N ATOM 658 CA ASP A 43 5.794 -1.021 14.312 1.00 0.00 C ATOM 659 C ASP A 43 6.327 0.363 13.955 1.00 0.00 C ATOM 660 O ASP A 43 7.204 0.499 13.102 1.00 0.00 O ATOM 661 CB ASP A 43 6.051 -1.314 15.791 1.00 0.00 C ATOM 662 CG ASP A 43 5.821 -2.771 16.140 1.00 0.00 C ATOM 663 OD1 ASP A 43 6.718 -3.596 15.869 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.743 -3.086 16.687 1.00 0.00 O ATOM 0 H ASP A 43 7.422 -1.965 13.387 1.00 0.00 H new ATOM 0 HA ASP A 43 4.720 -1.036 14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.077 -1.041 16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.398 -0.690 16.401 1.00 0.00 H new ATOM 669 N GLU A 44 5.791 1.386 14.612 1.00 0.00 N ATOM 670 CA GLU A 44 6.212 2.760 14.362 1.00 0.00 C ATOM 671 C GLU A 44 7.710 2.922 14.604 1.00 0.00 C ATOM 672 O GLU A 44 8.343 3.825 14.058 1.00 0.00 O ATOM 673 CB GLU A 44 5.432 3.727 15.254 1.00 0.00 C ATOM 674 CG GLU A 44 5.159 5.072 14.602 1.00 0.00 C ATOM 675 CD GLU A 44 5.106 6.207 15.605 1.00 0.00 C ATOM 676 OE1 GLU A 44 6.183 6.675 16.030 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.986 6.628 15.965 1.00 0.00 O ATOM 0 H GLU A 44 5.064 1.290 15.321 1.00 0.00 H new ATOM 0 HA GLU A 44 6.003 2.993 13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.483 3.268 15.530 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.990 3.887 16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.936 5.279 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.213 5.025 14.063 1.00 0.00 H new ATOM 684 N GLU A 45 8.269 2.041 15.428 1.00 0.00 N ATOM 685 CA GLU A 45 9.692 2.087 15.744 1.00 0.00 C ATOM 686 C GLU A 45 10.532 1.708 14.528 1.00 0.00 C ATOM 687 O GLU A 45 11.615 2.251 14.315 1.00 0.00 O ATOM 688 CB GLU A 45 10.009 1.148 16.910 1.00 0.00 C ATOM 689 CG GLU A 45 9.341 1.551 18.214 1.00 0.00 C ATOM 690 CD GLU A 45 9.528 0.518 19.308 1.00 0.00 C ATOM 691 OE1 GLU A 45 8.873 -0.543 19.242 1.00 0.00 O ATOM 692 OE2 GLU A 45 10.331 0.771 20.231 1.00 0.00 O ATOM 0 H GLU A 45 7.759 1.287 15.888 1.00 0.00 H new ATOM 0 HA GLU A 45 9.941 3.108 16.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.695 0.138 16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.088 1.118 17.058 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.749 2.505 18.547 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.276 1.703 18.041 1.00 0.00 H new ATOM 699 N GLU A 46 10.024 0.770 13.734 1.00 0.00 N ATOM 700 CA GLU A 46 10.728 0.317 12.541 1.00 0.00 C ATOM 701 C GLU A 46 12.038 -0.373 12.911 1.00 0.00 C ATOM 702 O GLU A 46 13.100 -0.040 12.383 1.00 0.00 O ATOM 703 CB GLU A 46 11.006 1.496 11.606 1.00 0.00 C ATOM 704 CG GLU A 46 9.751 2.222 11.153 1.00 0.00 C ATOM 705 CD GLU A 46 10.034 3.274 10.098 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.025 3.118 9.355 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.264 4.254 10.017 1.00 0.00 O ATOM 0 H GLU A 46 9.128 0.310 13.896 1.00 0.00 H new ATOM 0 HA GLU A 46 10.091 -0.402 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.662 2.204 12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.543 1.135 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.040 1.497 10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.278 2.694 12.014 1.00 0.00 H new ATOM 714 N LYS A 47 11.956 -1.336 13.823 1.00 0.00 N ATOM 715 CA LYS A 47 13.133 -2.074 14.265 1.00 0.00 C ATOM 716 C LYS A 47 13.753 -2.853 13.109 1.00 0.00 C ATOM 717 O LYS A 47 14.975 -2.949 12.999 1.00 0.00 O ATOM 718 CB LYS A 47 12.763 -3.032 15.399 1.00 0.00 C ATOM 719 CG LYS A 47 12.498 -2.335 16.722 1.00 0.00 C ATOM 720 CD LYS A 47 12.107 -3.326 17.806 1.00 0.00 C ATOM 721 CE LYS A 47 12.329 -2.748 19.195 1.00 0.00 C ATOM 722 NZ LYS A 47 12.445 -3.815 20.227 1.00 0.00 N ATOM 0 H LYS A 47 11.086 -1.624 14.271 1.00 0.00 H new ATOM 0 HA LYS A 47 13.866 -1.355 14.630 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.876 -3.597 15.111 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.570 -3.752 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.389 -1.789 17.031 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.702 -1.601 16.595 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.059 -3.601 17.688 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.691 -4.240 17.693 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.235 -2.142 19.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.502 -2.085 19.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.596 -3.381 21.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.571 -4.378 20.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.250 -4.433 19.999 1.00 0.00 H new ATOM 736 N GLU A 48 12.902 -3.405 12.250 1.00 0.00 N ATOM 737 CA GLU A 48 13.368 -4.174 11.102 1.00 0.00 C ATOM 738 C GLU A 48 12.452 -3.966 9.899 1.00 0.00 C ATOM 739 O GLU A 48 11.228 -4.018 10.020 1.00 0.00 O ATOM 740 CB GLU A 48 13.438 -5.662 11.452 1.00 0.00 C ATOM 741 CG GLU A 48 14.703 -6.053 12.197 1.00 0.00 C ATOM 742 CD GLU A 48 14.787 -7.544 12.462 1.00 0.00 C ATOM 743 OE1 GLU A 48 14.172 -8.318 11.700 1.00 0.00 O ATOM 744 OE2 GLU A 48 15.469 -7.936 13.432 1.00 0.00 O ATOM 0 H GLU A 48 11.887 -3.334 12.327 1.00 0.00 H new ATOM 0 HA GLU A 48 14.366 -3.821 10.842 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.572 -5.925 12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.372 -6.246 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.572 -5.741 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.742 -5.517 13.145 1.00 0.00 H new ATOM 751 N LYS A 49 13.054 -3.729 8.739 1.00 0.00 N ATOM 752 CA LYS A 49 12.295 -3.513 7.512 1.00 0.00 C ATOM 753 C LYS A 49 11.869 -4.842 6.895 1.00 0.00 C ATOM 754 O LYS A 49 12.692 -5.732 6.682 1.00 0.00 O ATOM 755 CB LYS A 49 13.128 -2.716 6.506 1.00 0.00 C ATOM 756 CG LYS A 49 12.347 -2.281 5.279 1.00 0.00 C ATOM 757 CD LYS A 49 13.140 -1.301 4.431 1.00 0.00 C ATOM 758 CE LYS A 49 13.312 0.035 5.136 1.00 0.00 C ATOM 759 NZ LYS A 49 14.539 0.063 5.980 1.00 0.00 N ATOM 0 H LYS A 49 14.066 -3.681 8.622 1.00 0.00 H new ATOM 0 HA LYS A 49 11.399 -2.945 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.533 -1.833 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.977 -3.321 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.090 -3.156 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.409 -1.820 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.119 -1.723 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.632 -1.148 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.363 0.833 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.439 0.233 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.278 0.273 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.011 -0.862 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.185 0.798 5.629 1.00 0.00 H new ATOM 773 N LYS A 50 10.578 -4.969 6.610 1.00 0.00 N ATOM 774 CA LYS A 50 10.041 -6.187 6.014 1.00 0.00 C ATOM 775 C LYS A 50 10.329 -6.233 4.517 1.00 0.00 C ATOM 776 O LYS A 50 11.127 -7.048 4.053 1.00 0.00 O ATOM 777 CB LYS A 50 8.533 -6.277 6.257 1.00 0.00 C ATOM 778 CG LYS A 50 8.104 -5.754 7.618 1.00 0.00 C ATOM 779 CD LYS A 50 8.809 -6.489 8.745 1.00 0.00 C ATOM 780 CE LYS A 50 8.019 -7.708 9.195 1.00 0.00 C ATOM 781 NZ LYS A 50 8.352 -8.915 8.388 1.00 0.00 N ATOM 0 H LYS A 50 9.883 -4.243 6.782 1.00 0.00 H new ATOM 0 HA LYS A 50 10.530 -7.039 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.014 -5.715 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.219 -7.316 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.323 -4.688 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.025 -5.866 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.801 -6.798 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.950 -5.814 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.225 -7.906 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.952 -7.500 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.488 -9.283 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.042 -8.661 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.759 -9.645 9.007 1.00 0.00 H new ATOM 795 N TYR A 51 9.676 -5.353 3.766 1.00 0.00 N ATOM 796 CA TYR A 51 9.862 -5.294 2.321 1.00 0.00 C ATOM 797 C TYR A 51 9.701 -3.866 1.809 1.00 0.00 C ATOM 798 O TYR A 51 8.785 -3.150 2.211 1.00 0.00 O ATOM 799 CB TYR A 51 8.862 -6.215 1.620 1.00 0.00 C ATOM 800 CG TYR A 51 9.185 -6.463 0.164 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.800 -5.558 -0.817 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.874 -7.603 -0.231 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.093 -5.781 -2.149 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.173 -7.833 -1.560 1.00 0.00 C ATOM 805 CZ TYR A 51 9.780 -6.919 -2.515 1.00 0.00 C ATOM 806 OH TYR A 51 10.073 -7.146 -3.840 1.00 0.00 O ATOM 0 H TYR A 51 9.013 -4.671 4.134 1.00 0.00 H new ATOM 0 HA TYR A 51 10.875 -5.629 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.831 -7.170 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.866 -5.779 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.263 -4.665 -0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.181 -8.322 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.785 -5.068 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.711 -8.723 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 51 10.561 -7.991 -3.927 1.00 0.00 H new ATOM 816 N MET A 52 10.600 -3.460 0.918 1.00 0.00 N ATOM 817 CA MET A 52 10.558 -2.119 0.348 1.00 0.00 C ATOM 818 C MET A 52 9.977 -2.145 -1.063 1.00 0.00 C ATOM 819 O MET A 52 10.180 -3.102 -1.811 1.00 0.00 O ATOM 820 CB MET A 52 11.960 -1.508 0.323 1.00 0.00 C ATOM 821 CG MET A 52 12.030 -0.177 -0.409 1.00 0.00 C ATOM 822 SD MET A 52 13.709 0.255 -0.905 1.00 0.00 S ATOM 823 CE MET A 52 13.624 -0.032 -2.671 1.00 0.00 C ATOM 0 H MET A 52 11.366 -4.040 0.576 1.00 0.00 H new ATOM 0 HA MET A 52 9.913 -1.505 0.976 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.305 -1.368 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.645 -2.211 -0.151 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.394 -0.219 -1.293 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.632 0.608 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.590 0.192 -3.123 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.369 -1.075 -2.858 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.861 0.612 -3.108 1.00 0.00 H new ATOM 833 N LEU A 53 9.253 -1.089 -1.419 1.00 0.00 N ATOM 834 CA LEU A 53 8.642 -0.992 -2.740 1.00 0.00 C ATOM 835 C LEU A 53 8.702 0.440 -3.263 1.00 0.00 C ATOM 836 O LEU A 53 8.359 1.396 -2.567 1.00 0.00 O ATOM 837 CB LEU A 53 7.189 -1.467 -2.688 1.00 0.00 C ATOM 838 CG LEU A 53 6.643 -2.096 -3.971 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.303 -3.441 -4.230 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.131 -2.249 -3.887 1.00 0.00 C ATOM 0 H LEU A 53 9.075 -0.289 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 53 9.203 -1.632 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.094 -2.194 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.559 -0.617 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 53 6.876 -1.434 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.902 -3.873 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.379 -3.304 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.102 -4.112 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.759 -2.698 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.876 -2.889 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.673 -1.269 -3.750 1.00 0.00 H new ATOM 852 N PRO A 54 9.145 0.593 -4.520 1.00 0.00 N ATOM 853 CA PRO A 54 9.258 1.905 -5.165 1.00 0.00 C ATOM 854 C PRO A 54 7.896 2.521 -5.466 1.00 0.00 C ATOM 855 O PRO A 54 6.856 1.937 -5.156 1.00 0.00 O ATOM 856 CB PRO A 54 10.005 1.598 -6.465 1.00 0.00 C ATOM 857 CG PRO A 54 9.701 0.167 -6.748 1.00 0.00 C ATOM 858 CD PRO A 54 9.571 -0.502 -5.407 1.00 0.00 C ATOM 0 HA PRO A 54 9.764 2.631 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.668 2.242 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.077 1.760 -6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.780 0.070 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.495 -0.291 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.839 -1.309 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.516 -0.938 -5.082 1.00 0.00 H new ATOM 866 N LEU A 55 7.908 3.703 -6.073 1.00 0.00 N ATOM 867 CA LEU A 55 6.673 4.398 -6.418 1.00 0.00 C ATOM 868 C LEU A 55 6.714 4.902 -7.857 1.00 0.00 C ATOM 869 O LEU A 55 6.012 5.848 -8.214 1.00 0.00 O ATOM 870 CB LEU A 55 6.440 5.570 -5.462 1.00 0.00 C ATOM 871 CG LEU A 55 6.696 5.288 -3.981 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.760 6.588 -3.194 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.618 4.374 -3.417 1.00 0.00 C ATOM 0 H LEU A 55 8.759 4.200 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 55 5.849 3.690 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.080 6.397 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.409 5.906 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 55 7.657 4.782 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.943 6.368 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.569 7.208 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.814 7.121 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.817 4.185 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.644 4.852 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.620 3.430 -3.962 1.00 0.00 H new ATOM 885 N ASP A 56 7.541 4.263 -8.678 1.00 0.00 N ATOM 886 CA ASP A 56 7.672 4.644 -10.079 1.00 0.00 C ATOM 887 C ASP A 56 7.037 3.597 -10.989 1.00 0.00 C ATOM 888 O ASP A 56 6.489 3.924 -12.041 1.00 0.00 O ATOM 889 CB ASP A 56 9.146 4.829 -10.444 1.00 0.00 C ATOM 890 CG ASP A 56 9.625 6.249 -10.214 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.115 7.165 -10.892 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.511 6.443 -9.356 1.00 0.00 O ATOM 0 H ASP A 56 8.130 3.479 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 56 7.149 5.589 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.753 4.144 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.294 4.564 -11.491 1.00 0.00 H new ATOM 897 N ASN A 57 7.116 2.336 -10.576 1.00 0.00 N ATOM 898 CA ASN A 57 6.551 1.240 -11.355 1.00 0.00 C ATOM 899 C ASN A 57 5.258 0.735 -10.723 1.00 0.00 C ATOM 900 O ASN A 57 4.904 -0.438 -10.859 1.00 0.00 O ATOM 901 CB ASN A 57 7.559 0.094 -11.468 1.00 0.00 C ATOM 902 CG ASN A 57 8.938 0.575 -11.877 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.866 0.593 -11.069 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.077 0.967 -13.138 1.00 0.00 N ATOM 0 H ASN A 57 7.565 2.048 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 57 6.325 1.615 -12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.627 -0.423 -10.511 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.199 -0.632 -12.197 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.981 1.300 -13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.279 0.935 -13.773 1.00 0.00 H new ATOM 911 N LEU A 58 4.555 1.626 -10.034 1.00 0.00 N ATOM 912 CA LEU A 58 3.299 1.272 -9.381 1.00 0.00 C ATOM 913 C LEU A 58 2.150 2.122 -9.913 1.00 0.00 C ATOM 914 O LEU A 58 2.356 3.028 -10.722 1.00 0.00 O ATOM 915 CB LEU A 58 3.421 1.449 -7.867 1.00 0.00 C ATOM 916 CG LEU A 58 4.543 0.662 -7.187 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.449 0.797 -5.675 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.492 -0.802 -7.598 1.00 0.00 C ATOM 0 H LEU A 58 4.833 2.600 -9.913 1.00 0.00 H new ATOM 0 HA LEU A 58 3.085 0.226 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.568 2.508 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.474 1.161 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 58 5.498 1.076 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.255 0.231 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.536 1.847 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.489 0.410 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.297 -1.347 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.533 -1.229 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.609 -0.881 -8.679 1.00 0.00 H new ATOM 930 N LYS A 59 0.939 1.826 -9.452 1.00 0.00 N ATOM 931 CA LYS A 59 -0.243 2.565 -9.878 1.00 0.00 C ATOM 932 C LYS A 59 -1.444 2.222 -9.001 1.00 0.00 C ATOM 933 O LYS A 59 -1.503 1.145 -8.407 1.00 0.00 O ATOM 934 CB LYS A 59 -0.563 2.256 -11.342 1.00 0.00 C ATOM 935 CG LYS A 59 -1.421 3.315 -12.014 1.00 0.00 C ATOM 936 CD LYS A 59 -1.213 3.329 -13.519 1.00 0.00 C ATOM 937 CE LYS A 59 -2.079 4.383 -14.191 1.00 0.00 C ATOM 938 NZ LYS A 59 -3.531 4.098 -14.024 1.00 0.00 N ATOM 0 H LYS A 59 0.751 1.079 -8.783 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.032 3.629 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.370 2.152 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.076 1.296 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.472 3.127 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.179 4.295 -11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.164 3.523 -13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.449 2.347 -13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.851 5.362 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.838 4.428 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.081 4.713 -14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.719 3.102 -14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.809 4.279 -13.038 1.00 0.00 H new ATOM 952 N ILE A 60 -2.398 3.144 -8.926 1.00 0.00 N ATOM 953 CA ILE A 60 -3.597 2.937 -8.124 1.00 0.00 C ATOM 954 C ILE A 60 -4.837 2.828 -9.006 1.00 0.00 C ATOM 955 O ILE A 60 -5.016 3.609 -9.941 1.00 0.00 O ATOM 956 CB ILE A 60 -3.801 4.079 -7.111 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.608 4.162 -6.156 1.00 0.00 C ATOM 958 CG2 ILE A 60 -5.094 3.874 -6.335 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.653 5.362 -5.236 1.00 0.00 C ATOM 0 H ILE A 60 -2.364 4.041 -9.411 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.456 2.002 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.872 5.020 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.571 3.254 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.688 4.196 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.224 4.689 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.936 3.859 -7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.050 2.927 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.777 5.356 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.659 6.276 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.556 5.320 -4.627 1.00 0.00 H new ATOM 971 N ARG A 61 -5.689 1.855 -8.701 1.00 0.00 N ATOM 972 CA ARG A 61 -6.912 1.644 -9.466 1.00 0.00 C ATOM 973 C ARG A 61 -8.035 1.134 -8.567 1.00 0.00 C ATOM 974 O ARG A 61 -7.788 0.425 -7.591 1.00 0.00 O ATOM 975 CB ARG A 61 -6.664 0.650 -10.602 1.00 0.00 C ATOM 976 CG ARG A 61 -6.024 -0.650 -10.145 1.00 0.00 C ATOM 977 CD ARG A 61 -5.856 -1.625 -11.300 1.00 0.00 C ATOM 978 NE ARG A 61 -7.139 -2.119 -11.791 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.267 -3.195 -12.560 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.195 -3.885 -12.923 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.469 -3.582 -12.967 1.00 0.00 N ATOM 0 H ARG A 61 -5.555 1.201 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.215 2.602 -9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.612 0.426 -11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.023 1.118 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.051 -0.441 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.639 -1.106 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.321 -1.134 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.243 -2.467 -10.977 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.983 -1.610 -11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.269 -3.590 -12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.296 -4.711 -13.513 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.296 -3.053 -12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.566 -4.408 -13.557 1.00 0.00 H new ATOM 995 N ASP A 62 -9.267 1.501 -8.902 1.00 0.00 N ATOM 996 CA ASP A 62 -10.427 1.081 -8.125 1.00 0.00 C ATOM 997 C ASP A 62 -10.500 -0.440 -8.036 1.00 0.00 C ATOM 998 O ASP A 62 -10.223 -1.144 -9.008 1.00 0.00 O ATOM 999 CB ASP A 62 -11.711 1.629 -8.750 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.941 0.850 -8.324 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -13.424 1.074 -7.195 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.419 0.016 -9.121 1.00 0.00 O ATOM 0 H ASP A 62 -9.488 2.088 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.322 1.482 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.831 2.675 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.624 1.600 -9.836 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.307 -1.927 1.787 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.713 -0.844 2.563 1.00 0.00 C ATOM 1131 C LYS A 71 -13.734 -0.040 1.713 1.00 0.00 C ATOM 1132 O LYS A 71 -13.341 -0.469 0.627 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.995 -1.404 3.793 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.705 -2.135 3.465 1.00 0.00 C ATOM 1135 CD LYS A 71 -12.936 -3.628 3.300 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.738 -4.370 4.613 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.975 -4.373 5.441 1.00 0.00 N ATOM 0 HA LYS A 71 -15.515 -0.181 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.775 -0.586 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.666 -2.086 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.279 -1.728 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.977 -1.964 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.947 -3.802 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.250 -4.023 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.436 -5.397 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.927 -3.905 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.902 -5.110 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.091 -3.445 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.798 -4.566 4.835 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.343 1.127 2.214 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.407 1.990 1.501 1.00 0.00 C ATOM 1153 C HIS A 72 -11.034 1.333 1.395 1.00 0.00 C ATOM 1154 O HIS A 72 -10.191 1.488 2.278 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.286 3.341 2.208 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.603 3.918 2.626 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.515 4.438 1.732 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -14.161 4.054 3.852 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.576 4.870 2.390 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.386 4.649 3.678 1.00 0.00 N ATOM 0 H HIS A 72 -13.659 1.497 3.110 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.793 2.149 0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.653 3.226 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.784 4.045 1.545 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.390 4.482 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.724 3.751 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.450 5.326 1.949 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.818 0.598 0.309 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.548 -0.082 0.087 1.00 0.00 C ATOM 1171 C VAL A 73 -9.108 0.035 -1.368 1.00 0.00 C ATOM 1172 O VAL A 73 -9.890 -0.216 -2.286 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.635 -1.572 0.467 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.968 -2.159 0.027 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.476 -2.346 -0.142 1.00 0.00 C ATOM 0 H VAL A 73 -11.506 0.458 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.812 0.406 0.726 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.568 -1.656 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.011 -3.212 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.781 -1.622 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.068 -2.064 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.554 -3.397 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.509 -2.255 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.534 -1.941 0.228 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.852 0.417 -1.572 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.308 0.567 -2.917 1.00 0.00 C ATOM 1187 C PHE A 74 -6.241 -0.488 -3.193 1.00 0.00 C ATOM 1188 O PHE A 74 -5.548 -0.939 -2.282 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.715 1.967 -3.096 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.591 2.267 -2.146 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.845 2.518 -0.808 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.279 2.299 -2.592 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.813 2.796 0.068 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.242 2.576 -1.721 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.510 2.824 -0.389 1.00 0.00 C ATOM 0 H PHE A 74 -7.192 0.628 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.122 0.430 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.353 2.072 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.503 2.707 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.862 2.496 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.064 2.105 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.025 2.991 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.224 2.598 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.702 3.040 0.294 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.117 -0.878 -4.458 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.135 -1.879 -4.855 1.00 0.00 C ATOM 1207 C ALA A 75 -3.995 -1.246 -5.647 1.00 0.00 C ATOM 1208 O ALA A 75 -4.216 -0.346 -6.457 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.801 -2.977 -5.672 1.00 0.00 C ATOM 0 H ALA A 75 -6.684 -0.516 -5.225 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.715 -2.318 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.056 -3.718 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.576 -3.457 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.249 -2.544 -6.566 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.779 -1.723 -5.406 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.605 -1.203 -6.098 1.00 0.00 C ATOM 1217 C ILE A 76 -0.976 -2.268 -6.989 1.00 0.00 C ATOM 1218 O ILE A 76 -0.541 -3.316 -6.511 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.546 -0.692 -5.103 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.085 0.511 -4.325 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.735 -0.324 -5.836 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.255 0.865 -3.111 1.00 0.00 C ATOM 0 H ILE A 76 -2.580 -2.468 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.945 -0.371 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.320 -1.489 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.129 1.374 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.107 0.301 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.474 0.035 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.125 -1.202 -6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.525 0.459 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.695 1.726 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.232 0.017 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.761 1.107 -3.423 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.929 -1.992 -8.289 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.352 -2.926 -9.248 1.00 0.00 C ATOM 1236 C PHE A 77 0.888 -2.330 -9.908 1.00 0.00 C ATOM 1237 O PHE A 77 1.139 -1.130 -9.813 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.384 -3.296 -10.316 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.764 -2.147 -11.206 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.059 -1.894 -12.372 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.826 -1.320 -10.877 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.406 -0.837 -13.192 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.178 -0.262 -11.694 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.467 -0.021 -12.853 1.00 0.00 C ATOM 0 H PHE A 77 -1.284 -1.129 -8.702 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.058 -3.827 -8.709 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.986 -4.104 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.280 -3.678 -9.827 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.229 -2.530 -12.643 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.385 -1.504 -9.972 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.848 -0.649 -14.097 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.008 0.375 -11.426 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.740 0.805 -13.493 1.00 0.00 H new ATOM 1254 N ASN A 78 1.661 -3.180 -10.577 1.00 0.00 N ATOM 1255 CA ASN A 78 2.876 -2.739 -11.252 1.00 0.00 C ATOM 1256 C ASN A 78 2.621 -2.514 -12.739 1.00 0.00 C ATOM 1257 O ASN A 78 2.386 -3.460 -13.491 1.00 0.00 O ATOM 1258 CB ASN A 78 3.991 -3.770 -11.065 1.00 0.00 C ATOM 1259 CG ASN A 78 5.318 -3.295 -11.625 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.367 -2.366 -12.431 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.402 -3.932 -11.199 1.00 0.00 N ATOM 0 H ASN A 78 1.467 -4.178 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 78 3.186 -1.793 -10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.105 -3.989 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.706 -4.702 -11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.323 -3.657 -11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.314 -4.697 -10.530 1.00 0.00 H new ATOM 1268 N THR A 79 2.670 -1.253 -13.158 1.00 0.00 N ATOM 1269 CA THR A 79 2.444 -0.902 -14.554 1.00 0.00 C ATOM 1270 C THR A 79 3.307 -1.751 -15.481 1.00 0.00 C ATOM 1271 O THR A 79 2.852 -2.191 -16.537 1.00 0.00 O ATOM 1272 CB THR A 79 2.741 0.586 -14.815 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.046 0.918 -14.327 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.702 1.471 -14.143 1.00 0.00 C ATOM 0 H THR A 79 2.864 -0.458 -12.550 1.00 0.00 H new ATOM 0 HA THR A 79 1.392 -1.096 -14.762 1.00 0.00 H new ATOM 0 HB THR A 79 2.701 0.759 -15.890 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.228 1.866 -14.498 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.933 2.518 -14.341 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.714 1.236 -14.538 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.714 1.294 -13.067 1.00 0.00 H new ATOM 1282 N GLU A 80 4.553 -1.978 -15.079 1.00 0.00 N ATOM 1283 CA GLU A 80 5.479 -2.775 -15.875 1.00 0.00 C ATOM 1284 C GLU A 80 5.196 -4.265 -15.709 1.00 0.00 C ATOM 1285 O GLU A 80 4.469 -4.671 -14.803 1.00 0.00 O ATOM 1286 CB GLU A 80 6.924 -2.471 -15.473 1.00 0.00 C ATOM 1287 CG GLU A 80 7.307 -1.010 -15.638 1.00 0.00 C ATOM 1288 CD GLU A 80 7.641 -0.652 -17.073 1.00 0.00 C ATOM 1289 OE1 GLU A 80 8.378 -1.424 -17.721 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.163 0.400 -17.548 1.00 0.00 O ATOM 0 H GLU A 80 4.945 -1.622 -14.207 1.00 0.00 H new ATOM 0 HA GLU A 80 5.338 -2.511 -16.923 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.072 -2.761 -14.433 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.596 -3.084 -16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.486 -0.382 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.165 -0.790 -15.003 1.00 0.00 H new ATOM 1352 N VAL A 84 4.133 -7.297 -7.632 1.00 0.00 N ATOM 1353 CA VAL A 84 4.157 -6.264 -6.604 1.00 0.00 C ATOM 1354 C VAL A 84 4.549 -6.845 -5.250 1.00 0.00 C ATOM 1355 O VAL A 84 5.347 -6.259 -4.518 1.00 0.00 O ATOM 1356 CB VAL A 84 2.789 -5.568 -6.475 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.746 -4.700 -5.227 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.492 -4.743 -7.718 1.00 0.00 C ATOM 0 HA VAL A 84 4.902 -5.530 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 84 2.019 -6.334 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.772 -4.217 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.911 -5.321 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.525 -3.940 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.522 -4.258 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.264 -3.984 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.477 -5.394 -8.592 1.00 0.00 H new ATOM 1368 N TYR A 85 3.982 -8.001 -4.923 1.00 0.00 N ATOM 1369 CA TYR A 85 4.270 -8.662 -3.655 1.00 0.00 C ATOM 1370 C TYR A 85 4.695 -10.110 -3.880 1.00 0.00 C ATOM 1371 O TYR A 85 4.693 -10.602 -5.008 1.00 0.00 O ATOM 1372 CB TYR A 85 3.044 -8.614 -2.741 1.00 0.00 C ATOM 1373 CG TYR A 85 3.375 -8.778 -1.275 1.00 0.00 C ATOM 1374 CD1 TYR A 85 3.973 -7.749 -0.558 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.092 -9.963 -0.607 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.278 -7.894 0.781 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.392 -10.117 0.733 1.00 0.00 C ATOM 1378 CZ TYR A 85 3.985 -9.080 1.422 1.00 0.00 C ATOM 1379 OH TYR A 85 4.288 -9.230 2.756 1.00 0.00 O ATOM 0 H TYR A 85 3.320 -8.500 -5.518 1.00 0.00 H new ATOM 0 HA TYR A 85 5.093 -8.131 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.531 -7.663 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.349 -9.399 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.203 -6.819 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.630 -10.778 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.743 -7.084 1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.163 -11.044 1.238 1.00 0.00 H new ATOM 0 HH TYR A 85 4.016 -10.123 3.055 1.00 0.00 H new ATOM 1389 N LYS A 86 5.059 -10.787 -2.796 1.00 0.00 N ATOM 1390 CA LYS A 86 5.485 -12.179 -2.872 1.00 0.00 C ATOM 1391 C LYS A 86 4.616 -12.963 -3.850 1.00 0.00 C ATOM 1392 O LYS A 86 5.062 -13.323 -4.940 1.00 0.00 O ATOM 1393 CB LYS A 86 5.424 -12.828 -1.487 1.00 0.00 C ATOM 1394 CG LYS A 86 6.273 -12.120 -0.445 1.00 0.00 C ATOM 1395 CD LYS A 86 5.797 -12.427 0.965 1.00 0.00 C ATOM 1396 CE LYS A 86 6.214 -13.822 1.402 1.00 0.00 C ATOM 1397 NZ LYS A 86 5.292 -14.381 2.430 1.00 0.00 N ATOM 0 H LYS A 86 5.067 -10.394 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 86 6.514 -12.198 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.388 -12.845 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.751 -13.865 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.314 -12.426 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.238 -11.044 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.206 -11.690 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.712 -12.339 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.235 -14.483 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.227 -13.789 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.611 -15.333 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.291 -13.764 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.330 -14.436 2.040 1.00 0.00 H new ATOM 1411 N ASP A 87 3.374 -13.221 -3.456 1.00 0.00 N ATOM 1412 CA ASP A 87 2.442 -13.959 -4.300 1.00 0.00 C ATOM 1413 C ASP A 87 1.128 -13.198 -4.453 1.00 0.00 C ATOM 1414 O ASP A 87 0.053 -13.797 -4.497 1.00 0.00 O ATOM 1415 CB ASP A 87 2.177 -15.346 -3.712 1.00 0.00 C ATOM 1416 CG ASP A 87 3.443 -16.016 -3.215 1.00 0.00 C ATOM 1417 OD1 ASP A 87 3.835 -15.757 -2.058 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.042 -16.797 -3.983 1.00 0.00 O ATOM 0 H ASP A 87 2.989 -12.930 -2.557 1.00 0.00 H new ATOM 0 HA ASP A 87 2.893 -14.071 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.468 -15.259 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.710 -15.975 -4.469 1.00 0.00 H new ATOM 1423 N LEU A 88 1.223 -11.875 -4.531 1.00 0.00 N ATOM 1424 CA LEU A 88 0.042 -11.032 -4.678 1.00 0.00 C ATOM 1425 C LEU A 88 0.273 -9.949 -5.728 1.00 0.00 C ATOM 1426 O LEU A 88 1.014 -8.994 -5.497 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.320 -10.389 -3.338 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.287 -11.313 -2.120 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.290 -10.501 -0.834 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.465 -12.275 -2.148 1.00 0.00 C ATOM 0 H LEU A 88 2.105 -11.364 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.784 -11.662 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.365 -9.560 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.321 -9.964 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 88 0.633 -11.896 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.266 -11.175 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.587 -9.854 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.193 -9.891 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.425 -12.925 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.397 -11.710 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.418 -12.881 -3.053 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.369 -10.105 -6.882 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.234 -9.141 -7.967 1.00 0.00 C ATOM 1444 C ARG A 89 -0.438 -7.717 -7.458 1.00 0.00 C ATOM 1445 O ARG A 89 0.339 -6.817 -7.775 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.240 -9.446 -9.077 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.964 -8.701 -10.373 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.818 -9.231 -11.514 1.00 0.00 C ATOM 1449 NE ARG A 89 -1.414 -10.574 -11.921 1.00 0.00 N ATOM 1450 CZ ARG A 89 -1.779 -11.134 -13.069 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -2.551 -10.471 -13.919 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -1.372 -12.361 -13.369 1.00 0.00 N ATOM 0 H ARG A 89 -0.987 -10.889 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 89 0.776 -9.224 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.234 -10.518 -9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.241 -9.192 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.162 -7.638 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.091 -8.797 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.864 -9.244 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.744 -8.556 -12.367 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.819 -11.111 -11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.867 -9.528 -13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.829 -10.904 -14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.778 -12.875 -12.718 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.653 -12.790 -14.251 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.489 -7.522 -6.668 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.796 -6.208 -6.116 1.00 0.00 C ATOM 1468 C GLN A 90 -1.903 -6.267 -4.596 1.00 0.00 C ATOM 1469 O GLN A 90 -2.161 -7.326 -4.023 1.00 0.00 O ATOM 1470 CB GLN A 90 -3.101 -5.674 -6.710 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.274 -6.629 -6.557 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.607 -5.909 -6.494 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -6.359 -6.056 -5.530 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.907 -5.126 -7.523 1.00 0.00 N ATOM 0 H GLN A 90 -2.142 -8.257 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.982 -5.533 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.349 -4.727 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.950 -5.464 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.281 -7.327 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.141 -7.220 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.254 -5.034 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.791 -4.617 -7.536 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.702 -5.124 -3.949 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.776 -5.046 -2.495 1.00 0.00 C ATOM 1485 C ILE A 91 -2.944 -4.172 -2.050 1.00 0.00 C ATOM 1486 O ILE A 91 -2.841 -2.946 -2.029 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.473 -4.487 -1.894 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.720 -5.344 -2.321 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.573 -4.426 -0.377 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.060 -4.716 -2.005 1.00 0.00 C ATOM 0 H ILE A 91 -1.487 -4.239 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.927 -6.063 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.322 -3.475 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.656 -6.313 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.659 -5.529 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.356 -4.029 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.402 -3.778 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.744 -5.428 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.860 -5.379 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.145 -3.760 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.142 -4.556 -0.930 1.00 0.00 H new ATOM 1502 N GLU A 92 -4.053 -4.813 -1.695 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.240 -4.093 -1.249 1.00 0.00 C ATOM 1504 C GLU A 92 -5.032 -3.511 0.146 1.00 0.00 C ATOM 1505 O GLU A 92 -4.807 -4.245 1.110 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.457 -5.021 -1.250 1.00 0.00 C ATOM 1507 CG GLU A 92 -7.169 -5.089 -2.591 1.00 0.00 C ATOM 1508 CD GLU A 92 -8.500 -5.811 -2.508 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -9.311 -5.462 -1.625 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.731 -6.724 -3.328 1.00 0.00 O ATOM 0 H GLU A 92 -4.154 -5.828 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.417 -3.272 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.139 -6.024 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.162 -4.683 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.331 -4.078 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.529 -5.596 -3.313 1.00 0.00 H new ATOM 1517 N LEU A 93 -5.108 -2.189 0.247 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.927 -1.507 1.524 1.00 0.00 C ATOM 1519 C LEU A 93 -6.232 -0.869 1.990 1.00 0.00 C ATOM 1520 O LEU A 93 -6.723 0.081 1.381 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.839 -0.438 1.404 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.428 -0.948 1.108 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.634 0.097 0.339 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.714 -1.321 2.398 1.00 0.00 C ATOM 0 H LEU A 93 -5.294 -1.567 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.621 -2.247 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.126 0.257 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.811 0.130 2.334 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.507 -1.842 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.633 -0.283 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.136 0.315 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.563 1.009 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.712 -1.682 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.645 -0.445 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.273 -2.104 2.910 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.789 -1.399 3.074 1.00 0.00 N ATOM 1537 CA ALA A 94 -8.035 -0.879 3.625 1.00 0.00 C ATOM 1538 C ALA A 94 -7.765 0.108 4.756 1.00 0.00 C ATOM 1539 O ALA A 94 -6.681 0.117 5.340 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.912 -2.021 4.116 1.00 0.00 C ATOM 0 H ALA A 94 -6.397 -2.188 3.588 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.561 -0.347 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.839 -1.618 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.141 -2.687 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.385 -2.577 4.891 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.758 0.937 5.059 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.627 1.930 6.120 1.00 0.00 C ATOM 1548 C CYS A 95 -9.902 2.006 6.954 1.00 0.00 C ATOM 1549 O CYS A 95 -10.885 1.322 6.667 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.309 3.303 5.526 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.775 3.357 4.571 1.00 0.00 S ATOM 0 H CYS A 95 -9.662 0.941 4.586 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.807 1.625 6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.135 3.609 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.247 4.031 6.335 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.594 4.558 4.108 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.878 2.840 7.988 1.00 0.00 N ATOM 1558 CA ASP A 96 -11.032 3.005 8.864 1.00 0.00 C ATOM 1559 C ASP A 96 -12.159 3.739 8.145 1.00 0.00 C ATOM 1560 O ASP A 96 -13.329 3.379 8.274 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.634 3.768 10.128 1.00 0.00 C ATOM 1562 CG ASP A 96 -9.930 2.885 11.140 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -10.255 1.681 11.203 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -9.056 3.398 11.870 1.00 0.00 O ATOM 0 H ASP A 96 -9.072 3.412 8.240 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.389 2.014 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.981 4.598 9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.525 4.199 10.584 1.00 0.00 H new ATOM 1569 N SER A 97 -11.799 4.772 7.390 1.00 0.00 N ATOM 1570 CA SER A 97 -12.781 5.561 6.655 1.00 0.00 C ATOM 1571 C SER A 97 -12.185 6.096 5.356 1.00 0.00 C ATOM 1572 O SER A 97 -10.985 5.971 5.114 1.00 0.00 O ATOM 1573 CB SER A 97 -13.282 6.722 7.516 1.00 0.00 C ATOM 1574 OG SER A 97 -12.365 7.803 7.497 1.00 0.00 O ATOM 0 H SER A 97 -10.835 5.082 7.271 1.00 0.00 H new ATOM 0 HA SER A 97 -13.622 4.912 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.253 7.058 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.428 6.382 8.541 1.00 0.00 H new ATOM 0 HG SER A 97 -12.708 8.533 8.053 1.00 0.00 H new ATOM 1580 N GLN A 98 -13.034 6.691 4.525 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.592 7.245 3.250 1.00 0.00 C ATOM 1582 C GLN A 98 -11.526 8.314 3.462 1.00 0.00 C ATOM 1583 O GLN A 98 -10.519 8.348 2.754 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.780 7.836 2.488 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.514 8.030 1.004 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.995 6.773 0.334 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.771 5.935 -0.126 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.676 6.635 0.275 1.00 0.00 N ATOM 0 H GLN A 98 -14.031 6.802 4.711 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.158 6.437 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.643 7.181 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.043 8.797 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.434 8.346 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.790 8.834 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.070 7.354 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.269 5.810 -0.165 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.755 9.186 4.439 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.813 10.258 4.741 1.00 0.00 C ATOM 1599 C GLU A 99 -9.379 9.735 4.752 1.00 0.00 C ATOM 1600 O GLU A 99 -8.526 10.217 4.006 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.146 10.893 6.093 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.527 11.524 6.145 1.00 0.00 C ATOM 1603 CD GLU A 99 -12.725 12.393 7.372 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -12.455 11.909 8.491 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -13.150 13.557 7.213 1.00 0.00 O ATOM 0 H GLU A 99 -12.583 9.171 5.034 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.900 11.014 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.074 10.132 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.399 11.654 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.681 12.126 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.282 10.738 6.135 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.122 8.748 5.603 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.792 8.159 5.711 1.00 0.00 C ATOM 1614 C ASP A 100 -7.232 7.825 4.332 1.00 0.00 C ATOM 1615 O ASP A 100 -6.098 8.179 4.009 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.839 6.898 6.575 1.00 0.00 C ATOM 1617 CG ASP A 100 -8.176 7.200 8.022 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -7.603 8.162 8.577 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -9.012 6.475 8.600 1.00 0.00 O ATOM 0 H ASP A 100 -9.817 8.339 6.228 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.135 8.890 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.580 6.210 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.875 6.392 6.527 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.034 7.141 3.522 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.619 6.759 2.178 1.00 0.00 C ATOM 1626 C VAL A 101 -7.327 7.987 1.323 1.00 0.00 C ATOM 1627 O VAL A 101 -6.326 8.035 0.608 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.694 5.905 1.480 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.284 5.597 0.048 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.944 4.623 2.259 1.00 0.00 C ATOM 0 H VAL A 101 -8.975 6.840 3.774 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.709 6.169 2.284 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.624 6.473 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.055 4.993 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.160 6.529 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.342 5.048 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.706 4.032 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.020 4.048 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.285 4.869 3.265 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.207 8.979 1.403 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.043 10.209 0.637 1.00 0.00 C ATOM 1642 C ASP A 102 -6.655 10.804 0.855 1.00 0.00 C ATOM 1643 O ASP A 102 -5.930 11.078 -0.101 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.115 11.227 1.032 1.00 0.00 C ATOM 1645 CG ASP A 102 -10.365 11.110 0.181 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -11.073 10.089 0.304 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.635 12.040 -0.607 1.00 0.00 O ATOM 0 H ASP A 102 -9.041 8.956 1.990 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.153 9.967 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.378 11.085 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.708 12.234 0.939 1.00 0.00 H new ATOM 1652 N SER A 103 -6.293 11.002 2.119 1.00 0.00 N ATOM 1653 CA SER A 103 -4.994 11.569 2.462 1.00 0.00 C ATOM 1654 C SER A 103 -3.865 10.760 1.832 1.00 0.00 C ATOM 1655 O SER A 103 -2.863 11.317 1.384 1.00 0.00 O ATOM 1656 CB SER A 103 -4.819 11.614 3.981 1.00 0.00 C ATOM 1657 OG SER A 103 -3.852 12.580 4.354 1.00 0.00 O ATOM 0 H SER A 103 -6.881 10.778 2.922 1.00 0.00 H new ATOM 0 HA SER A 103 -4.953 12.585 2.069 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.773 11.848 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.516 10.632 4.345 1.00 0.00 H new ATOM 0 HG SER A 103 -3.760 12.591 5.330 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.035 9.443 1.802 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.030 8.556 1.227 1.00 0.00 C ATOM 1665 C TRP A 104 -2.954 8.727 -0.286 1.00 0.00 C ATOM 1666 O TRP A 104 -1.880 8.958 -0.842 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.348 7.100 1.572 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.947 6.719 2.965 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.779 6.389 3.997 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.613 6.630 3.479 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.043 6.101 5.121 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.712 6.240 4.829 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.346 6.840 2.929 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.591 6.058 5.635 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.766 6.659 3.730 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.638 6.271 5.071 1.00 0.00 C ATOM 0 H TRP A 104 -4.859 8.966 2.169 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.062 8.821 1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.418 6.930 1.450 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.839 6.447 0.863 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.857 6.359 3.938 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.426 5.828 6.026 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.237 7.138 1.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.688 5.759 6.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.750 6.819 3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.526 6.138 5.671 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.100 8.614 -0.948 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.164 8.758 -2.398 1.00 0.00 C ATOM 1689 C LYS A 105 -3.484 10.047 -2.847 1.00 0.00 C ATOM 1690 O LYS A 105 -2.936 10.120 -3.947 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.621 8.747 -2.868 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.289 7.389 -2.746 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.636 7.365 -3.448 1.00 0.00 C ATOM 1694 CE LYS A 105 -8.036 5.950 -3.840 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.515 5.779 -3.869 1.00 0.00 N ATOM 0 H LYS A 105 -4.998 8.423 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.637 7.915 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.187 9.475 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.661 9.070 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.641 6.624 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.422 7.141 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.396 7.791 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.595 7.992 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.624 5.715 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.602 5.241 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.746 4.802 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.906 5.978 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.927 6.437 -4.561 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.521 11.061 -1.989 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.905 12.346 -2.297 1.00 0.00 C ATOM 1711 C ALA A 106 -1.406 12.316 -2.018 1.00 0.00 C ATOM 1712 O ALA A 106 -0.608 12.817 -2.810 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.571 13.455 -1.497 1.00 0.00 C ATOM 0 H ALA A 106 -3.971 11.018 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.046 12.545 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.101 14.409 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.631 13.499 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.459 13.253 -0.432 1.00 0.00 H new ATOM 1719 N SER A 107 -1.031 11.727 -0.887 1.00 0.00 N ATOM 1720 CA SER A 107 0.373 11.636 -0.502 1.00 0.00 C ATOM 1721 C SER A 107 1.183 10.904 -1.568 1.00 0.00 C ATOM 1722 O SER A 107 2.361 11.195 -1.778 1.00 0.00 O ATOM 1723 CB SER A 107 0.510 10.917 0.841 1.00 0.00 C ATOM 1724 OG SER A 107 0.602 9.514 0.662 1.00 0.00 O ATOM 0 H SER A 107 -1.679 11.306 -0.221 1.00 0.00 H new ATOM 0 HA SER A 107 0.764 12.649 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.396 11.279 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.348 11.151 1.471 1.00 0.00 H new ATOM 0 HG SER A 107 -0.181 9.196 0.166 1.00 0.00 H new ATOM 1730 N PHE A 108 0.542 9.953 -2.240 1.00 0.00 N ATOM 1731 CA PHE A 108 1.202 9.178 -3.284 1.00 0.00 C ATOM 1732 C PHE A 108 1.603 10.072 -4.454 1.00 0.00 C ATOM 1733 O PHE A 108 2.642 9.863 -5.082 1.00 0.00 O ATOM 1734 CB PHE A 108 0.283 8.058 -3.775 1.00 0.00 C ATOM 1735 CG PHE A 108 0.442 6.774 -3.013 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.529 5.946 -3.244 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.494 6.395 -2.064 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.678 4.763 -2.544 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.350 5.213 -1.361 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.738 4.397 -1.601 1.00 0.00 C ATOM 0 H PHE A 108 -0.433 9.701 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 108 2.105 8.738 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.753 8.390 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.482 7.872 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.268 6.228 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.346 7.030 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.529 4.126 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.087 4.928 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.853 3.474 -1.052 1.00 0.00 H new ATOM 1750 N LEU A 109 0.772 11.068 -4.741 1.00 0.00 N ATOM 1751 CA LEU A 109 1.038 11.994 -5.836 1.00 0.00 C ATOM 1752 C LEU A 109 2.359 12.727 -5.620 1.00 0.00 C ATOM 1753 O LEU A 109 3.196 12.796 -6.521 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.103 13.005 -5.964 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.250 12.607 -6.894 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -0.751 12.458 -8.323 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.901 11.317 -6.417 1.00 0.00 C ATOM 0 H LEU A 109 -0.091 11.255 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 109 1.109 11.417 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.513 13.187 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.313 13.949 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.000 13.398 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.581 12.174 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.333 13.405 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.019 11.687 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.715 11.049 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.160 10.518 -6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.295 11.459 -5.411 1.00 0.00 H new ATOM 1769 N ARG A 110 2.540 13.270 -4.421 1.00 0.00 N ATOM 1770 CA ARG A 110 3.759 13.996 -4.087 1.00 0.00 C ATOM 1771 C ARG A 110 4.994 13.220 -4.535 1.00 0.00 C ATOM 1772 O ARG A 110 5.929 13.792 -5.095 1.00 0.00 O ATOM 1773 CB ARG A 110 3.826 14.256 -2.581 1.00 0.00 C ATOM 1774 CG ARG A 110 3.047 15.485 -2.140 1.00 0.00 C ATOM 1775 CD ARG A 110 3.912 16.735 -2.171 1.00 0.00 C ATOM 1776 NE ARG A 110 5.025 16.654 -1.229 1.00 0.00 N ATOM 1777 CZ ARG A 110 5.981 17.572 -1.141 1.00 0.00 C ATOM 1778 NH1 ARG A 110 5.961 18.634 -1.934 1.00 0.00 N ATOM 1779 NH2 ARG A 110 6.961 17.428 -0.257 1.00 0.00 N ATOM 0 H ARG A 110 1.858 13.221 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 110 3.740 14.950 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.441 13.384 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.869 14.373 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.184 15.623 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.664 15.331 -1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.300 16.882 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.300 17.605 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 110 5.071 15.849 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.210 18.748 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.697 19.337 -1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.980 16.612 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.695 18.133 -0.190 1.00 0.00 H new ATOM 1793 N ALA A 111 4.990 11.915 -4.284 1.00 0.00 N ATOM 1794 CA ALA A 111 6.108 11.061 -4.664 1.00 0.00 C ATOM 1795 C ALA A 111 6.233 10.960 -6.180 1.00 0.00 C ATOM 1796 O ALA A 111 7.332 10.826 -6.715 1.00 0.00 O ATOM 1797 CB ALA A 111 5.947 9.677 -4.052 1.00 0.00 C ATOM 0 H ALA A 111 4.225 11.426 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 111 7.023 11.512 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.789 9.050 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.917 9.761 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.020 9.228 -4.407 1.00 0.00 H new ATOM 1803 N GLY A 112 5.097 11.023 -6.868 1.00 0.00 N ATOM 1804 CA GLY A 112 5.101 10.936 -8.317 1.00 0.00 C ATOM 1805 C GLY A 112 4.244 9.797 -8.831 1.00 0.00 C ATOM 1806 O GLY A 112 4.553 9.193 -9.859 1.00 0.00 O ATOM 0 H GLY A 112 4.174 11.133 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.740 11.876 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.125 10.803 -8.667 1.00 0.00 H new ATOM 1810 N VAL A 113 3.164 9.499 -8.115 1.00 0.00 N ATOM 1811 CA VAL A 113 2.260 8.424 -8.505 1.00 0.00 C ATOM 1812 C VAL A 113 1.043 8.970 -9.243 1.00 0.00 C ATOM 1813 O VAL A 113 0.485 8.306 -10.116 1.00 0.00 O ATOM 1814 CB VAL A 113 1.786 7.618 -7.281 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.819 6.523 -7.704 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.976 7.031 -6.537 1.00 0.00 C ATOM 0 H VAL A 113 2.894 9.988 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 113 2.819 7.766 -9.170 1.00 0.00 H new ATOM 0 HB VAL A 113 1.260 8.292 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.495 5.964 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.048 6.971 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.316 5.848 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.623 6.465 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.531 6.370 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.628 7.837 -6.199 1.00 0.00 H new