USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot 117:sc= -2.52! USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.712 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -2.16 X(o=-4.6,f=-4.6) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -2.46! K(o=-4.6!,f=-5.5) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.19) USER MOD Set 3.2: A 56 ASN : amide:sc= 0 X(o=-0.36,f=-0.19) USER MOD Set 4.1: A 51 SER OG : rot 180:sc= 1.06 USER MOD Set 4.2: A 52 CYS SG : rot 33:sc= 1.21 USER MOD Set 5.1: A 41 THR OG1 : rot -107:sc= 0.191 USER MOD Set 5.2: A 43 SER OG : rot 62:sc= 1.11 USER MOD Single : A 3 THR OG1 : rot 33:sc= 0.0286 USER MOD Single : A 4 ASN : amide:sc= -4.12! C(o=-4.1!,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= 0.382 (180deg=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 30:sc= -1.34 USER MOD Single : A 13 THR OG1 : rot 98:sc= 0.875 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.713! C(o=-0.71!,f=-4.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.8) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.858 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0438 (180deg=-0.424) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 125:sc= 0.00641 USER MOD Single : A 54 THR OG1 : rot 49:sc= -1.42! USER MOD Single : A 59 ASN : amide:sc= 0.634 K(o=0.63,f=-7.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.7) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -5.48! C(o=-5.5!,f=-12!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 94:sc= -0.204 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -35:sc= 0.959 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.909 K(o=-0.91,f=-2.4!) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0.111 (180deg=0.00959) USER MOD Single : A 111 ASN : amide:sc= -3.15 X(o=-3.1,f=-3.2!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.941 USER MOD Single : A 118 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -6.429 -2.312 14.778 1.00 0.00 N ATOM 32 CA THR A 3 -6.816 -3.683 15.062 1.00 0.00 C ATOM 33 C THR A 3 -6.819 -4.514 13.778 1.00 0.00 C ATOM 34 O THR A 3 -6.598 -5.723 13.816 1.00 0.00 O ATOM 35 CB THR A 3 -8.172 -3.654 15.770 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.864 -3.227 17.094 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.765 -5.052 15.958 1.00 0.00 C ATOM 0 HA THR A 3 -6.098 -4.168 15.723 1.00 0.00 H new ATOM 0 HB THR A 3 -8.866 -3.039 15.197 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.102 -2.612 17.070 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.727 -4.974 16.465 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.905 -5.522 14.984 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.086 -5.657 16.559 1.00 0.00 H new ATOM 45 N ASN A 4 -7.071 -3.831 12.670 1.00 0.00 N ATOM 46 CA ASN A 4 -7.106 -4.491 11.376 1.00 0.00 C ATOM 47 C ASN A 4 -5.708 -4.460 10.755 1.00 0.00 C ATOM 48 O ASN A 4 -5.161 -5.501 10.396 1.00 0.00 O ATOM 49 CB ASN A 4 -8.064 -3.778 10.420 1.00 0.00 C ATOM 50 CG ASN A 4 -9.519 -4.117 10.748 1.00 0.00 C ATOM 51 OD1 ASN A 4 -10.383 -4.159 9.887 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.742 -4.356 12.037 1.00 0.00 N ATOM 0 H ASN A 4 -7.253 -2.828 12.642 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.445 -5.516 11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.914 -2.700 10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.842 -4.068 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.681 -4.591 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.974 -4.304 12.706 1.00 0.00 H new ATOM 59 N ALA A 5 -5.169 -3.254 10.648 1.00 0.00 N ATOM 60 CA ALA A 5 -3.846 -3.073 10.077 1.00 0.00 C ATOM 61 C ALA A 5 -2.872 -4.049 10.740 1.00 0.00 C ATOM 62 O ALA A 5 -2.151 -4.773 10.055 1.00 0.00 O ATOM 63 CB ALA A 5 -3.413 -1.615 10.242 1.00 0.00 C ATOM 0 H ALA A 5 -5.625 -2.392 10.948 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.856 -3.291 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.420 -1.480 9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.121 -0.965 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.389 -1.360 11.302 1.00 0.00 H new ATOM 69 N GLU A 6 -2.881 -4.037 12.064 1.00 0.00 N ATOM 70 CA GLU A 6 -2.007 -4.912 12.827 1.00 0.00 C ATOM 71 C GLU A 6 -2.173 -6.361 12.365 1.00 0.00 C ATOM 72 O GLU A 6 -1.192 -7.094 12.244 1.00 0.00 O ATOM 73 CB GLU A 6 -2.275 -4.782 14.328 1.00 0.00 C ATOM 74 CG GLU A 6 -1.455 -5.801 15.122 1.00 0.00 C ATOM 75 CD GLU A 6 0.022 -5.742 14.728 1.00 0.00 C ATOM 76 OE1 GLU A 6 0.520 -4.608 14.558 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.621 -6.833 14.607 1.00 0.00 O ATOM 0 H GLU A 6 -3.480 -3.435 12.629 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.975 -4.609 12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.027 -3.773 14.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.337 -4.931 14.526 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.559 -5.604 16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.843 -6.804 14.943 1.00 0.00 H new ATOM 84 N LYS A 7 -3.421 -6.732 12.118 1.00 0.00 N ATOM 85 CA LYS A 7 -3.727 -8.080 11.672 1.00 0.00 C ATOM 86 C LYS A 7 -3.059 -8.328 10.318 1.00 0.00 C ATOM 87 O LYS A 7 -2.316 -9.296 10.156 1.00 0.00 O ATOM 88 CB LYS A 7 -5.239 -8.311 11.663 1.00 0.00 C ATOM 89 CG LYS A 7 -5.584 -9.657 11.022 1.00 0.00 C ATOM 90 CD LYS A 7 -5.534 -9.566 9.496 1.00 0.00 C ATOM 91 CE LYS A 7 -6.841 -10.062 8.874 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.564 -11.004 7.766 1.00 0.00 N ATOM 0 H LYS A 7 -4.232 -6.122 12.219 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.320 -8.813 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.621 -8.281 12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.730 -7.507 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.885 -10.418 11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.579 -9.970 11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.353 -8.534 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.700 -10.159 9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.448 -10.554 9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.418 -9.215 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.226 -10.824 6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.588 -10.869 7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.683 -11.981 8.103 1.00 0.00 H new ATOM 106 N LEU A 8 -3.347 -7.438 9.380 1.00 0.00 N ATOM 107 CA LEU A 8 -2.783 -7.549 8.045 1.00 0.00 C ATOM 108 C LEU A 8 -1.277 -7.797 8.151 1.00 0.00 C ATOM 109 O LEU A 8 -0.720 -8.587 7.391 1.00 0.00 O ATOM 110 CB LEU A 8 -3.147 -6.322 7.207 1.00 0.00 C ATOM 111 CG LEU A 8 -4.599 -6.241 6.731 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.744 -5.243 5.581 1.00 0.00 C ATOM 113 CD2 LEU A 8 -5.133 -7.626 6.359 1.00 0.00 C ATOM 0 H LEU A 8 -3.963 -6.637 9.518 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.210 -8.403 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.927 -5.429 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.497 -6.298 6.332 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.208 -5.872 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.785 -5.205 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.430 -4.254 5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.119 -5.558 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.167 -7.540 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.526 -8.047 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.087 -8.280 7.230 1.00 0.00 H new ATOM 125 N VAL A 9 -0.662 -7.107 9.100 1.00 0.00 N ATOM 126 CA VAL A 9 0.769 -7.243 9.315 1.00 0.00 C ATOM 127 C VAL A 9 1.071 -8.651 9.831 1.00 0.00 C ATOM 128 O VAL A 9 1.946 -9.356 9.333 1.00 0.00 O ATOM 129 CB VAL A 9 1.263 -6.142 10.256 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.783 -6.205 10.423 1.00 0.00 C ATOM 131 CG2 VAL A 9 0.822 -4.762 9.765 1.00 0.00 C ATOM 0 H VAL A 9 -1.128 -6.452 9.728 1.00 0.00 H new ATOM 0 HA VAL A 9 1.310 -7.118 8.377 1.00 0.00 H new ATOM 0 HB VAL A 9 0.811 -6.309 11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.108 -5.412 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.063 -7.172 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.261 -6.075 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.186 -3.998 10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.231 -4.581 8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.266 -4.722 9.722 1.00 0.00 H new ATOM 141 N TYR A 10 0.316 -9.050 10.857 1.00 0.00 N ATOM 142 CA TYR A 10 0.479 -10.357 11.462 1.00 0.00 C ATOM 143 C TYR A 10 -0.037 -11.432 10.516 1.00 0.00 C ATOM 144 O TYR A 10 0.067 -12.613 10.844 1.00 0.00 O ATOM 145 CB TYR A 10 -0.271 -10.399 12.790 1.00 0.00 C ATOM 146 CG TYR A 10 0.203 -11.492 13.717 1.00 0.00 C ATOM 147 CD1 TYR A 10 -0.381 -12.763 13.657 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.228 -11.236 14.635 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.059 -13.777 14.515 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.668 -12.250 15.494 1.00 0.00 C ATOM 151 CZ TYR A 10 1.084 -13.521 15.434 1.00 0.00 C ATOM 152 OH TYR A 10 1.513 -14.509 16.271 1.00 0.00 O ATOM 0 H TYR A 10 -0.414 -8.478 11.281 1.00 0.00 H new ATOM 0 HA TYR A 10 1.536 -10.545 11.651 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.161 -9.437 13.290 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.334 -10.537 12.593 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.171 -12.961 12.948 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.680 -10.256 14.681 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.392 -14.757 14.468 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.458 -12.052 16.203 1.00 0.00 H new ATOM 0 HH TYR A 10 2.230 -14.164 16.844 1.00 0.00 H new ATOM 162 N LYS A 11 -0.575 -11.014 9.380 1.00 0.00 N ATOM 163 CA LYS A 11 -1.098 -11.958 8.407 1.00 0.00 C ATOM 164 C LYS A 11 -0.122 -12.068 7.234 1.00 0.00 C ATOM 165 O LYS A 11 0.621 -13.036 7.090 1.00 0.00 O ATOM 166 CB LYS A 11 -2.518 -11.568 7.992 1.00 0.00 C ATOM 167 CG LYS A 11 -3.512 -12.683 8.323 1.00 0.00 C ATOM 168 CD LYS A 11 -3.845 -12.696 9.816 1.00 0.00 C ATOM 169 CE LYS A 11 -5.189 -13.381 10.072 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.167 -14.099 11.366 1.00 0.00 N ATOM 0 H LYS A 11 -0.660 -10.034 9.111 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.181 -12.952 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.811 -10.651 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.544 -11.359 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.425 -12.544 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.093 -13.646 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.058 -13.215 10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.876 -11.674 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.987 -12.639 10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.407 -14.081 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.087 -14.558 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.418 -14.820 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.981 -13.424 12.135 1.00 0.00 H new ATOM 184 N TYR A 12 -0.142 -11.037 6.385 1.00 0.00 N ATOM 185 CA TYR A 12 0.720 -10.990 5.222 1.00 0.00 C ATOM 186 C TYR A 12 2.134 -11.399 5.610 1.00 0.00 C ATOM 187 O TYR A 12 2.874 -11.869 4.748 1.00 0.00 O ATOM 188 CB TYR A 12 0.706 -9.580 4.637 1.00 0.00 C ATOM 189 CG TYR A 12 -0.588 -9.228 3.944 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.936 -9.862 2.746 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.440 -8.266 4.500 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.136 -9.536 2.103 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.640 -7.939 3.857 1.00 0.00 C ATOM 194 CZ TYR A 12 -2.988 -8.574 2.659 1.00 0.00 C ATOM 195 OH TYR A 12 -4.158 -8.256 2.033 1.00 0.00 O ATOM 0 H TYR A 12 -0.751 -10.226 6.490 1.00 0.00 H new ATOM 0 HA TYR A 12 0.357 -11.687 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.888 -8.862 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.527 -9.482 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.278 -10.603 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.172 -7.776 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.404 -10.026 1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.297 -7.197 4.285 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.489 -9.037 1.542 1.00 0.00 H new ATOM 205 N THR A 13 2.477 -11.219 6.877 1.00 0.00 N ATOM 206 CA THR A 13 3.803 -11.576 7.351 1.00 0.00 C ATOM 207 C THR A 13 3.929 -13.095 7.485 1.00 0.00 C ATOM 208 O THR A 13 4.829 -13.700 6.905 1.00 0.00 O ATOM 209 CB THR A 13 4.054 -10.828 8.662 1.00 0.00 C ATOM 210 OG1 THR A 13 4.084 -9.456 8.278 1.00 0.00 O ATOM 211 CG2 THR A 13 5.452 -11.088 9.226 1.00 0.00 C ATOM 0 H THR A 13 1.859 -10.831 7.590 1.00 0.00 H new ATOM 0 HA THR A 13 4.572 -11.278 6.638 1.00 0.00 H new ATOM 0 HB THR A 13 3.306 -11.123 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.207 -9.051 8.444 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.578 -10.534 10.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.574 -12.154 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.202 -10.762 8.505 1.00 0.00 H new ATOM 219 N ASN A 14 3.014 -13.668 8.254 1.00 0.00 N ATOM 220 CA ASN A 14 3.012 -15.104 8.472 1.00 0.00 C ATOM 221 C ASN A 14 2.987 -15.820 7.120 1.00 0.00 C ATOM 222 O ASN A 14 3.862 -16.633 6.828 1.00 0.00 O ATOM 223 CB ASN A 14 1.776 -15.540 9.261 1.00 0.00 C ATOM 224 CG ASN A 14 2.049 -16.826 10.043 1.00 0.00 C ATOM 225 OD1 ASN A 14 1.692 -17.919 9.635 1.00 0.00 O ATOM 226 ND2 ASN A 14 2.701 -16.635 11.186 1.00 0.00 N ATOM 0 H ASN A 14 2.269 -13.163 8.734 1.00 0.00 H new ATOM 0 HA ASN A 14 3.909 -15.361 9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.481 -14.748 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.941 -15.696 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.932 -17.431 11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.970 -15.693 11.468 1.00 0.00 H new ATOM 233 N ILE A 15 1.974 -15.493 6.331 1.00 0.00 N ATOM 234 CA ILE A 15 1.823 -16.094 5.017 1.00 0.00 C ATOM 235 C ILE A 15 3.164 -16.045 4.282 1.00 0.00 C ATOM 236 O ILE A 15 3.631 -17.059 3.766 1.00 0.00 O ATOM 237 CB ILE A 15 0.677 -15.430 4.252 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.672 -16.027 4.659 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.907 -15.510 2.742 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.748 -14.943 4.745 1.00 0.00 C ATOM 0 H ILE A 15 1.249 -14.819 6.577 1.00 0.00 H new ATOM 0 HA ILE A 15 1.547 -17.145 5.108 1.00 0.00 H new ATOM 0 HB ILE A 15 0.655 -14.373 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.971 -16.785 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.577 -16.527 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.078 -15.031 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.837 -15.002 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.970 -16.555 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.697 -15.394 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.457 -14.200 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.858 -14.462 3.773 1.00 0.00 H new ATOM 252 N ALA A 16 3.745 -14.854 4.256 1.00 0.00 N ATOM 253 CA ALA A 16 5.022 -14.659 3.592 1.00 0.00 C ATOM 254 C ALA A 16 6.058 -15.608 4.199 1.00 0.00 C ATOM 255 O ALA A 16 6.774 -16.296 3.474 1.00 0.00 O ATOM 256 CB ALA A 16 5.438 -13.191 3.707 1.00 0.00 C ATOM 0 H ALA A 16 3.354 -14.015 4.684 1.00 0.00 H new ATOM 0 HA ALA A 16 4.942 -14.893 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.396 -13.044 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.684 -12.561 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.531 -12.920 4.759 1.00 0.00 H new ATOM 262 N HIS A 17 6.104 -15.613 5.523 1.00 0.00 N ATOM 263 CA HIS A 17 7.040 -16.466 6.236 1.00 0.00 C ATOM 264 C HIS A 17 6.735 -17.933 5.927 1.00 0.00 C ATOM 265 O HIS A 17 7.639 -18.767 5.906 1.00 0.00 O ATOM 266 CB HIS A 17 7.021 -16.160 7.735 1.00 0.00 C ATOM 267 CG HIS A 17 8.136 -16.819 8.511 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.466 -16.468 8.356 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.105 -17.810 9.448 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.194 -17.221 9.168 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.349 -18.052 9.844 1.00 0.00 N ATOM 0 H HIS A 17 5.508 -15.040 6.121 1.00 0.00 H new ATOM 0 HA HIS A 17 8.055 -16.262 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.083 -15.081 7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.065 -16.481 8.149 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.825 -15.752 7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.219 -18.312 9.807 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.268 -17.183 9.276 1.00 0.00 H new ATOM 279 N SER A 18 5.459 -18.203 5.694 1.00 0.00 N ATOM 280 CA SER A 18 5.024 -19.555 5.387 1.00 0.00 C ATOM 281 C SER A 18 5.514 -19.959 3.996 1.00 0.00 C ATOM 282 O SER A 18 5.594 -21.146 3.682 1.00 0.00 O ATOM 283 CB SER A 18 3.501 -19.676 5.469 1.00 0.00 C ATOM 284 OG SER A 18 3.046 -20.970 5.085 1.00 0.00 O ATOM 0 H SER A 18 4.712 -17.508 5.712 1.00 0.00 H new ATOM 0 HA SER A 18 5.455 -20.229 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.175 -19.465 6.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.043 -18.925 4.825 1.00 0.00 H new ATOM 0 HG SER A 18 2.069 -21.007 5.153 1.00 0.00 H new ATOM 290 N ALA A 19 5.830 -18.949 3.198 1.00 0.00 N ATOM 291 CA ALA A 19 6.310 -19.185 1.847 1.00 0.00 C ATOM 292 C ALA A 19 7.839 -19.124 1.836 1.00 0.00 C ATOM 293 O ALA A 19 8.487 -19.841 1.075 1.00 0.00 O ATOM 294 CB ALA A 19 5.680 -18.165 0.896 1.00 0.00 C ATOM 0 H ALA A 19 5.763 -17.966 3.461 1.00 0.00 H new ATOM 0 HA ALA A 19 6.016 -20.177 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.040 -18.342 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.595 -18.268 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.956 -17.158 1.208 1.00 0.00 H new ATOM 300 N ASN A 20 8.371 -18.262 2.690 1.00 0.00 N ATOM 301 CA ASN A 20 9.812 -18.098 2.788 1.00 0.00 C ATOM 302 C ASN A 20 10.209 -17.989 4.262 1.00 0.00 C ATOM 303 O ASN A 20 9.846 -17.051 4.968 1.00 0.00 O ATOM 304 CB ASN A 20 10.271 -16.823 2.079 1.00 0.00 C ATOM 305 CG ASN A 20 11.412 -17.119 1.103 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.348 -16.817 -0.077 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.457 -17.725 1.660 1.00 0.00 N ATOM 0 H ASN A 20 7.830 -17.670 3.320 1.00 0.00 H new ATOM 0 HA ASN A 20 10.283 -18.961 2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.433 -16.380 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.599 -16.091 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.270 -17.965 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.446 -17.950 2.655 1.00 0.00 H new ATOM 314 N PRO A 21 10.974 -18.985 4.715 1.00 0.00 N ATOM 315 CA PRO A 21 11.467 -19.082 6.073 1.00 0.00 C ATOM 316 C PRO A 21 12.650 -18.143 6.255 1.00 0.00 C ATOM 317 O PRO A 21 13.627 -18.535 6.890 1.00 0.00 O ATOM 318 CB PRO A 21 11.895 -20.540 6.230 1.00 0.00 C ATOM 319 CG PRO A 21 12.321 -20.918 4.837 1.00 0.00 C ATOM 320 CD PRO A 21 11.420 -20.103 3.912 1.00 0.00 C ATOM 0 HA PRO A 21 10.721 -18.801 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.711 -20.647 6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.076 -21.165 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.373 -20.685 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.200 -21.987 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.963 -19.764 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.577 -20.696 3.558 1.00 0.00 H new ATOM 328 N MET A 22 12.545 -16.942 5.706 1.00 0.00 N ATOM 329 CA MET A 22 13.619 -15.970 5.821 1.00 0.00 C ATOM 330 C MET A 22 13.063 -14.550 5.947 1.00 0.00 C ATOM 331 O MET A 22 13.649 -13.575 5.483 1.00 0.00 O ATOM 332 CB MET A 22 14.521 -16.057 4.588 1.00 0.00 C ATOM 333 CG MET A 22 13.803 -15.526 3.345 1.00 0.00 C ATOM 334 SD MET A 22 14.851 -15.706 1.911 1.00 0.00 S ATOM 335 CE MET A 22 15.398 -14.019 1.714 1.00 0.00 C ATOM 0 H MET A 22 11.733 -16.620 5.180 1.00 0.00 H new ATOM 0 HA MET A 22 14.193 -16.196 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.432 -15.484 4.759 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.821 -17.092 4.425 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.870 -16.069 3.194 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.542 -14.477 3.486 1.00 0.00 H new ATOM 0 HE1 MET A 22 16.067 -13.951 0.856 1.00 0.00 H new ATOM 0 HE2 MET A 22 14.535 -13.373 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 22 15.927 -13.701 2.612 1.00 0.00 H new ATOM 345 N TYR A 23 11.900 -14.456 6.596 1.00 0.00 N ATOM 346 CA TYR A 23 11.240 -13.181 6.799 1.00 0.00 C ATOM 347 C TYR A 23 10.385 -13.237 8.056 1.00 0.00 C ATOM 348 O TYR A 23 9.419 -13.997 8.085 1.00 0.00 O ATOM 349 CB TYR A 23 10.386 -12.853 5.577 1.00 0.00 C ATOM 350 CG TYR A 23 9.715 -11.502 5.657 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.483 -10.334 5.582 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.326 -11.419 5.805 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.861 -9.082 5.657 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.704 -10.167 5.879 1.00 0.00 C ATOM 355 CZ TYR A 23 8.471 -8.998 5.805 1.00 0.00 C ATOM 356 OH TYR A 23 7.865 -7.778 5.878 1.00 0.00 O ATOM 0 H TYR A 23 11.401 -15.255 6.988 1.00 0.00 H new ATOM 0 HA TYR A 23 11.986 -12.396 6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.013 -12.887 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.623 -13.623 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.555 -10.399 5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.734 -12.320 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.453 -8.181 5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.632 -10.103 5.993 1.00 0.00 H new ATOM 0 HH TYR A 23 6.898 -7.899 5.979 1.00 0.00 H new ATOM 366 N GLU A 24 10.747 -12.445 9.055 1.00 0.00 N ATOM 367 CA GLU A 24 9.998 -12.421 10.300 1.00 0.00 C ATOM 368 C GLU A 24 8.983 -11.277 10.287 1.00 0.00 C ATOM 369 O GLU A 24 7.812 -11.477 10.605 1.00 0.00 O ATOM 370 CB GLU A 24 10.937 -12.307 11.503 1.00 0.00 C ATOM 371 CG GLU A 24 11.645 -13.636 11.773 1.00 0.00 C ATOM 372 CD GLU A 24 11.006 -14.367 12.956 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.773 -14.227 13.110 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.764 -15.049 13.678 1.00 0.00 O ATOM 0 H GLU A 24 11.549 -11.815 9.027 1.00 0.00 H new ATOM 0 HA GLU A 24 9.455 -13.362 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.676 -11.528 11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.370 -12.007 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.598 -14.265 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.700 -13.455 11.980 1.00 0.00 H new ATOM 381 N ALA A 25 9.468 -10.101 9.915 1.00 0.00 N ATOM 382 CA ALA A 25 8.618 -8.925 9.856 1.00 0.00 C ATOM 383 C ALA A 25 9.278 -7.867 8.969 1.00 0.00 C ATOM 384 O ALA A 25 10.389 -8.035 8.470 1.00 0.00 O ATOM 385 CB ALA A 25 8.354 -8.414 11.274 1.00 0.00 C ATOM 0 H ALA A 25 10.440 -9.938 9.651 1.00 0.00 H new ATOM 0 HA ALA A 25 7.653 -9.171 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.716 -7.531 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.858 -9.192 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.300 -8.154 11.749 1.00 0.00 H new ATOM 391 N PRO A 26 8.559 -6.759 8.781 1.00 0.00 N ATOM 392 CA PRO A 26 8.989 -5.632 7.982 1.00 0.00 C ATOM 393 C PRO A 26 10.162 -4.941 8.663 1.00 0.00 C ATOM 394 O PRO A 26 10.425 -5.230 9.829 1.00 0.00 O ATOM 395 CB PRO A 26 7.773 -4.710 7.917 1.00 0.00 C ATOM 396 CG PRO A 26 6.531 -5.635 8.344 1.00 0.00 C ATOM 397 CD PRO A 26 7.249 -6.529 9.352 1.00 0.00 C ATOM 0 HA PRO A 26 9.325 -5.922 6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.884 -3.861 8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.638 -4.305 6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.714 -5.067 8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.112 -6.193 7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.322 -6.046 10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.713 -7.466 9.501 1.00 0.00 H new ATOM 405 N SER A 27 10.834 -4.058 7.938 1.00 0.00 N ATOM 406 CA SER A 27 11.971 -3.345 8.494 1.00 0.00 C ATOM 407 C SER A 27 11.850 -1.850 8.189 1.00 0.00 C ATOM 408 O SER A 27 12.813 -1.101 8.346 1.00 0.00 O ATOM 409 CB SER A 27 13.288 -3.894 7.942 1.00 0.00 C ATOM 410 OG SER A 27 14.230 -4.161 8.978 1.00 0.00 O ATOM 0 H SER A 27 10.613 -3.821 6.971 1.00 0.00 H new ATOM 0 HA SER A 27 11.972 -3.491 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.094 -4.810 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.714 -3.177 7.240 1.00 0.00 H new ATOM 0 HG SER A 27 15.057 -4.512 8.586 1.00 0.00 H new ATOM 416 N ILE A 28 10.659 -1.461 7.760 1.00 0.00 N ATOM 417 CA ILE A 28 10.399 -0.069 7.432 1.00 0.00 C ATOM 418 C ILE A 28 11.565 0.482 6.608 1.00 0.00 C ATOM 419 O ILE A 28 12.182 1.477 6.986 1.00 0.00 O ATOM 420 CB ILE A 28 10.109 0.735 8.701 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.279 0.650 9.684 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.791 0.294 9.340 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.078 1.607 10.860 1.00 0.00 C ATOM 0 H ILE A 28 9.863 -2.085 7.632 1.00 0.00 H new ATOM 0 HA ILE A 28 9.504 0.017 6.816 1.00 0.00 H new ATOM 0 HB ILE A 28 9.998 1.783 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.374 -0.371 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.209 0.891 9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.609 0.881 10.240 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.975 0.449 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.849 -0.763 9.602 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.923 1.527 11.543 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.007 2.629 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.160 1.348 11.387 1.00 0.00 H new ATOM 435 N THR A 29 11.831 -0.189 5.497 1.00 0.00 N ATOM 436 CA THR A 29 12.911 0.222 4.616 1.00 0.00 C ATOM 437 C THR A 29 12.494 0.066 3.152 1.00 0.00 C ATOM 438 O THR A 29 12.586 1.013 2.373 1.00 0.00 O ATOM 439 CB THR A 29 14.155 -0.590 4.983 1.00 0.00 C ATOM 440 OG1 THR A 29 14.481 -0.150 6.299 1.00 0.00 O ATOM 441 CG2 THR A 29 15.376 -0.202 4.147 1.00 0.00 C ATOM 0 H THR A 29 11.318 -1.014 5.187 1.00 0.00 H new ATOM 0 HA THR A 29 13.145 1.279 4.744 1.00 0.00 H new ATOM 0 HB THR A 29 13.947 -1.652 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.951 -0.652 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.231 -0.808 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.164 -0.373 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.605 0.852 4.305 1.00 0.00 H new ATOM 449 N ASP A 30 12.045 -1.137 2.823 1.00 0.00 N ATOM 450 CA ASP A 30 11.614 -1.429 1.467 1.00 0.00 C ATOM 451 C ASP A 30 10.385 -0.581 1.133 1.00 0.00 C ATOM 452 O ASP A 30 10.138 -0.269 -0.031 1.00 0.00 O ATOM 453 CB ASP A 30 11.228 -2.902 1.316 1.00 0.00 C ATOM 454 CG ASP A 30 10.416 -3.233 0.063 1.00 0.00 C ATOM 455 OD1 ASP A 30 9.180 -3.057 0.124 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.050 -3.654 -0.929 1.00 0.00 O ATOM 0 H ASP A 30 11.971 -1.920 3.472 1.00 0.00 H new ATOM 0 HA ASP A 30 12.442 -1.203 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.138 -3.502 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.654 -3.203 2.192 1.00 0.00 H new ATOM 461 N GLY A 31 9.645 -0.233 2.176 1.00 0.00 N ATOM 462 CA GLY A 31 8.447 0.572 2.009 1.00 0.00 C ATOM 463 C GLY A 31 8.802 2.009 1.621 1.00 0.00 C ATOM 464 O GLY A 31 8.432 2.953 2.316 1.00 0.00 O ATOM 0 H GLY A 31 9.852 -0.494 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.812 0.130 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.873 0.573 2.936 1.00 0.00 H new ATOM 468 N LYS A 32 9.516 2.129 0.511 1.00 0.00 N ATOM 469 CA LYS A 32 9.925 3.435 0.022 1.00 0.00 C ATOM 470 C LYS A 32 10.179 3.354 -1.485 1.00 0.00 C ATOM 471 O LYS A 32 9.475 3.986 -2.271 1.00 0.00 O ATOM 472 CB LYS A 32 11.123 3.955 0.820 1.00 0.00 C ATOM 473 CG LYS A 32 10.684 4.998 1.850 1.00 0.00 C ATOM 474 CD LYS A 32 10.213 6.282 1.165 1.00 0.00 C ATOM 475 CE LYS A 32 11.226 7.411 1.362 1.00 0.00 C ATOM 476 NZ LYS A 32 10.623 8.518 2.138 1.00 0.00 N ATOM 0 H LYS A 32 9.822 1.343 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 32 9.129 4.165 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.616 3.125 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.854 4.394 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.879 4.592 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.513 5.223 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.070 6.099 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.246 6.581 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.106 7.032 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.562 7.779 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.324 9.276 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.797 8.890 1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.324 8.166 3.070 1.00 0.00 H new ATOM 490 N ILE A 33 11.186 2.571 -1.842 1.00 0.00 N ATOM 491 CA ILE A 33 11.542 2.400 -3.240 1.00 0.00 C ATOM 492 C ILE A 33 10.380 1.733 -3.979 1.00 0.00 C ATOM 493 O ILE A 33 9.925 2.232 -5.007 1.00 0.00 O ATOM 494 CB ILE A 33 12.866 1.645 -3.368 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.000 2.404 -2.675 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.188 1.346 -4.833 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.180 1.477 -2.378 1.00 0.00 C ATOM 0 H ILE A 33 11.767 2.048 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 33 11.708 3.368 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 33 12.762 0.687 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.331 3.228 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.635 2.842 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.134 0.809 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.395 0.734 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.265 2.282 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.972 2.042 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.852 0.668 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.559 1.060 -3.311 1.00 0.00 H new ATOM 509 N PHE A 34 9.932 0.615 -3.426 1.00 0.00 N ATOM 510 CA PHE A 34 8.832 -0.125 -4.019 1.00 0.00 C ATOM 511 C PHE A 34 7.611 0.775 -4.221 1.00 0.00 C ATOM 512 O PHE A 34 6.735 0.466 -5.027 1.00 0.00 O ATOM 513 CB PHE A 34 8.469 -1.246 -3.044 1.00 0.00 C ATOM 514 CG PHE A 34 7.166 -1.972 -3.386 1.00 0.00 C ATOM 515 CD1 PHE A 34 7.086 -2.732 -4.510 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.088 -1.856 -2.565 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.877 -3.405 -4.828 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.879 -2.529 -2.882 1.00 0.00 C ATOM 519 CZ PHE A 34 4.799 -3.289 -4.007 1.00 0.00 C ATOM 0 H PHE A 34 10.312 0.204 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 34 9.128 -0.514 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.282 -1.972 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.387 -0.828 -2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.942 -2.824 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.152 -1.252 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.813 -4.009 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.023 -2.438 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.879 -3.801 -4.248 1.00 0.00 H new ATOM 529 N PHE A 35 7.593 1.869 -3.475 1.00 0.00 N ATOM 530 CA PHE A 35 6.494 2.816 -3.561 1.00 0.00 C ATOM 531 C PHE A 35 6.934 4.103 -4.261 1.00 0.00 C ATOM 532 O PHE A 35 6.171 5.066 -4.333 1.00 0.00 O ATOM 533 CB PHE A 35 6.075 3.146 -2.127 1.00 0.00 C ATOM 534 CG PHE A 35 4.998 4.229 -2.028 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.714 3.946 -2.375 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.326 5.475 -1.593 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.716 4.951 -2.282 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.327 6.481 -1.500 1.00 0.00 C ATOM 539 CZ PHE A 35 3.043 6.197 -1.847 1.00 0.00 C ATOM 0 H PHE A 35 8.322 2.121 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 35 5.674 2.384 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.708 2.238 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.953 3.469 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.454 2.957 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.346 5.700 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.696 4.726 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.587 7.470 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.283 6.961 -1.777 1.00 0.00 H new ATOM 549 N ASN A 36 8.162 4.080 -4.758 1.00 0.00 N ATOM 550 CA ASN A 36 8.712 5.233 -5.449 1.00 0.00 C ATOM 551 C ASN A 36 9.594 4.757 -6.605 1.00 0.00 C ATOM 552 O ASN A 36 10.529 5.449 -7.003 1.00 0.00 O ATOM 553 CB ASN A 36 9.577 6.077 -4.511 1.00 0.00 C ATOM 554 CG ASN A 36 8.711 6.860 -3.522 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.496 6.901 -3.619 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.402 7.477 -2.568 1.00 0.00 N ATOM 0 H ASN A 36 8.792 3.280 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 36 7.880 5.836 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.265 5.431 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.184 6.769 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.915 8.026 -1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.419 7.401 -2.545 1.00 0.00 H new ATOM 563 N ARG A 37 9.264 3.578 -7.112 1.00 0.00 N ATOM 564 CA ARG A 37 10.015 3.001 -8.214 1.00 0.00 C ATOM 565 C ARG A 37 9.192 3.056 -9.503 1.00 0.00 C ATOM 566 O ARG A 37 8.381 2.170 -9.765 1.00 0.00 O ATOM 567 CB ARG A 37 10.394 1.548 -7.922 1.00 0.00 C ATOM 568 CG ARG A 37 11.501 1.070 -8.864 1.00 0.00 C ATOM 569 CD ARG A 37 12.672 0.478 -8.078 1.00 0.00 C ATOM 570 NE ARG A 37 13.771 0.118 -9.001 1.00 0.00 N ATOM 571 CZ ARG A 37 14.532 1.011 -9.649 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.318 2.323 -9.478 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.506 0.593 -10.468 1.00 0.00 N ATOM 0 H ARG A 37 8.487 3.007 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 37 10.927 3.585 -8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.727 1.456 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.517 0.910 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.103 0.321 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.851 1.904 -9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.027 1.198 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.343 -0.405 -7.529 1.00 0.00 H new ATOM 0 HE ARG A 37 13.962 -0.872 -9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.576 2.642 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.897 3.003 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.669 -0.405 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.085 1.273 -10.961 1.00 0.00 H new ATOM 587 N LYS A 38 9.429 4.108 -10.274 1.00 0.00 N ATOM 588 CA LYS A 38 8.720 4.290 -11.529 1.00 0.00 C ATOM 589 C LYS A 38 8.787 2.995 -12.341 1.00 0.00 C ATOM 590 O LYS A 38 9.748 2.767 -13.074 1.00 0.00 O ATOM 591 CB LYS A 38 9.259 5.513 -12.276 1.00 0.00 C ATOM 592 CG LYS A 38 8.849 5.479 -13.749 1.00 0.00 C ATOM 593 CD LYS A 38 9.372 6.711 -14.491 1.00 0.00 C ATOM 594 CE LYS A 38 10.901 6.731 -14.512 1.00 0.00 C ATOM 595 NZ LYS A 38 11.426 5.540 -15.216 1.00 0.00 N ATOM 0 H LYS A 38 10.102 4.842 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 38 7.666 4.496 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.882 6.424 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.346 5.542 -12.198 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.238 4.575 -14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.763 5.437 -13.827 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.991 6.714 -15.512 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.000 7.615 -14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.252 7.637 -15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.284 6.756 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.415 5.707 -15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.376 4.714 -14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.856 5.361 -16.067 1.00 0.00 H new ATOM 609 N PHE A 39 7.754 2.181 -12.183 1.00 0.00 N ATOM 610 CA PHE A 39 7.684 0.915 -12.892 1.00 0.00 C ATOM 611 C PHE A 39 6.806 1.033 -14.140 1.00 0.00 C ATOM 612 O PHE A 39 6.049 1.992 -14.281 1.00 0.00 O ATOM 613 CB PHE A 39 7.054 -0.099 -11.935 1.00 0.00 C ATOM 614 CG PHE A 39 5.716 0.349 -11.345 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.581 0.262 -12.090 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.660 0.834 -10.076 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.339 0.678 -11.543 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.418 1.250 -9.529 1.00 0.00 C ATOM 619 CZ PHE A 39 3.283 1.163 -10.274 1.00 0.00 C ATOM 0 H PHE A 39 6.959 2.374 -11.574 1.00 0.00 H new ATOM 0 HA PHE A 39 8.681 0.611 -13.209 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.909 -1.041 -12.464 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.751 -0.296 -11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.625 -0.124 -13.098 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.561 0.903 -9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.438 0.609 -12.135 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.374 1.636 -8.521 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.338 1.479 -9.858 1.00 0.00 H new ATOM 629 N LYS A 40 6.937 0.045 -15.012 1.00 0.00 N ATOM 630 CA LYS A 40 6.166 0.027 -16.243 1.00 0.00 C ATOM 631 C LYS A 40 5.082 -1.049 -16.145 1.00 0.00 C ATOM 632 O LYS A 40 5.323 -2.131 -15.610 1.00 0.00 O ATOM 633 CB LYS A 40 7.089 -0.139 -17.452 1.00 0.00 C ATOM 634 CG LYS A 40 6.344 0.155 -18.756 1.00 0.00 C ATOM 635 CD LYS A 40 7.069 -0.462 -19.953 1.00 0.00 C ATOM 636 CE LYS A 40 6.256 -0.286 -21.237 1.00 0.00 C ATOM 637 NZ LYS A 40 6.997 -0.827 -22.398 1.00 0.00 N ATOM 0 H LYS A 40 7.566 -0.749 -14.891 1.00 0.00 H new ATOM 0 HA LYS A 40 5.658 0.980 -16.388 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.942 0.533 -17.357 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.484 -1.155 -17.476 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.330 -0.241 -18.697 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.258 1.233 -18.895 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.047 0.005 -20.071 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.242 -1.523 -19.771 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.297 -0.796 -21.140 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.040 0.771 -21.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.431 -0.699 -23.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.901 -0.322 -22.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.181 -1.840 -22.251 1.00 0.00 H new ATOM 651 N THR A 41 3.912 -0.716 -16.670 1.00 0.00 N ATOM 652 CA THR A 41 2.791 -1.640 -16.648 1.00 0.00 C ATOM 653 C THR A 41 2.688 -2.384 -17.980 1.00 0.00 C ATOM 654 O THR A 41 3.120 -1.910 -19.028 1.00 0.00 O ATOM 655 CB THR A 41 1.531 -0.847 -16.295 1.00 0.00 C ATOM 656 OG1 THR A 41 1.243 -0.109 -17.479 1.00 0.00 O ATOM 657 CG2 THR A 41 1.793 0.229 -15.240 1.00 0.00 C ATOM 0 H THR A 41 3.716 0.181 -17.113 1.00 0.00 H new ATOM 0 HA THR A 41 2.929 -2.412 -15.891 1.00 0.00 H new ATOM 0 HB THR A 41 0.762 -1.530 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.468 0.835 -17.339 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.867 0.762 -15.026 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.162 -0.239 -14.327 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.538 0.932 -15.614 1.00 0.00 H new ATOM 665 N PRO A 42 2.095 -3.579 -17.915 1.00 0.00 N ATOM 666 CA PRO A 42 1.890 -4.451 -19.051 1.00 0.00 C ATOM 667 C PRO A 42 0.953 -3.780 -20.046 1.00 0.00 C ATOM 668 O PRO A 42 0.772 -4.311 -21.142 1.00 0.00 O ATOM 669 CB PRO A 42 1.257 -5.712 -18.468 1.00 0.00 C ATOM 670 CG PRO A 42 0.530 -5.177 -17.167 1.00 0.00 C ATOM 671 CD PRO A 42 1.576 -4.167 -16.700 1.00 0.00 C ATOM 0 HA PRO A 42 2.813 -4.677 -19.585 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.554 -6.169 -19.164 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.006 -6.467 -18.230 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.433 -4.715 -17.384 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.348 -5.963 -16.434 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.133 -3.410 -16.053 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.366 -4.653 -16.127 1.00 0.00 H new ATOM 679 N SER A 43 0.384 -2.649 -19.657 1.00 0.00 N ATOM 680 CA SER A 43 -0.527 -1.930 -20.531 1.00 0.00 C ATOM 681 C SER A 43 0.163 -0.690 -21.101 1.00 0.00 C ATOM 682 O SER A 43 -0.483 0.329 -21.342 1.00 0.00 O ATOM 683 CB SER A 43 -1.804 -1.533 -19.788 1.00 0.00 C ATOM 684 OG SER A 43 -1.759 -0.184 -19.333 1.00 0.00 O ATOM 0 H SER A 43 0.536 -2.212 -18.748 1.00 0.00 H new ATOM 0 HA SER A 43 -0.807 -2.591 -21.351 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.663 -1.665 -20.446 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.950 -2.198 -18.937 1.00 0.00 H new ATOM 0 HG SER A 43 -1.686 0.419 -20.102 1.00 0.00 H new ATOM 690 N GLY A 44 1.467 -0.816 -21.300 1.00 0.00 N ATOM 691 CA GLY A 44 2.252 0.283 -21.837 1.00 0.00 C ATOM 692 C GLY A 44 1.769 1.624 -21.282 1.00 0.00 C ATOM 693 O GLY A 44 1.007 2.333 -21.937 1.00 0.00 O ATOM 0 H GLY A 44 2.000 -1.662 -21.099 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.303 0.140 -21.588 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.180 0.288 -22.925 1.00 0.00 H new ATOM 697 N LYS A 45 2.232 1.932 -20.079 1.00 0.00 N ATOM 698 CA LYS A 45 1.856 3.176 -19.428 1.00 0.00 C ATOM 699 C LYS A 45 2.529 3.252 -18.056 1.00 0.00 C ATOM 700 O LYS A 45 1.913 2.934 -17.041 1.00 0.00 O ATOM 701 CB LYS A 45 0.334 3.315 -19.375 1.00 0.00 C ATOM 702 CG LYS A 45 -0.079 4.497 -18.496 1.00 0.00 C ATOM 703 CD LYS A 45 -0.761 5.586 -19.326 1.00 0.00 C ATOM 704 CE LYS A 45 -2.235 5.727 -18.941 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.895 6.749 -19.784 1.00 0.00 N ATOM 0 H LYS A 45 2.864 1.342 -19.538 1.00 0.00 H new ATOM 0 HA LYS A 45 2.210 4.030 -20.005 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.057 3.453 -20.383 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.105 2.397 -18.985 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.756 4.154 -17.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.799 4.910 -17.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.250 6.537 -19.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.680 5.345 -20.386 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.741 4.769 -19.058 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.318 6.005 -17.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.895 6.832 -19.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.422 7.666 -19.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.832 6.468 -20.783 1.00 0.00 H new ATOM 719 N GLU A 46 3.784 3.676 -18.071 1.00 0.00 N ATOM 720 CA GLU A 46 4.547 3.798 -16.840 1.00 0.00 C ATOM 721 C GLU A 46 3.677 4.396 -15.733 1.00 0.00 C ATOM 722 O GLU A 46 2.728 5.128 -16.011 1.00 0.00 O ATOM 723 CB GLU A 46 5.809 4.636 -17.058 1.00 0.00 C ATOM 724 CG GLU A 46 5.453 6.088 -17.387 1.00 0.00 C ATOM 725 CD GLU A 46 6.181 7.056 -16.452 1.00 0.00 C ATOM 726 OE1 GLU A 46 5.836 7.053 -15.251 1.00 0.00 O ATOM 727 OE2 GLU A 46 7.067 7.777 -16.960 1.00 0.00 O ATOM 0 H GLU A 46 4.292 3.939 -18.916 1.00 0.00 H new ATOM 0 HA GLU A 46 4.861 2.801 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.430 4.604 -16.163 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.398 4.209 -17.870 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.719 6.306 -18.421 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.376 6.231 -17.298 1.00 0.00 H new ATOM 734 N ALA A 47 4.030 4.061 -14.501 1.00 0.00 N ATOM 735 CA ALA A 47 3.293 4.555 -13.351 1.00 0.00 C ATOM 736 C ALA A 47 4.127 4.343 -12.086 1.00 0.00 C ATOM 737 O ALA A 47 5.268 3.889 -12.160 1.00 0.00 O ATOM 738 CB ALA A 47 1.934 3.857 -13.277 1.00 0.00 C ATOM 0 H ALA A 47 4.817 3.453 -14.274 1.00 0.00 H new ATOM 0 HA ALA A 47 3.105 5.624 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.381 4.228 -12.414 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.369 4.063 -14.186 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.082 2.782 -13.178 1.00 0.00 H new ATOM 744 N ALA A 48 3.526 4.680 -10.955 1.00 0.00 N ATOM 745 CA ALA A 48 4.199 4.531 -9.676 1.00 0.00 C ATOM 746 C ALA A 48 3.161 4.560 -8.552 1.00 0.00 C ATOM 747 O ALA A 48 2.075 5.113 -8.719 1.00 0.00 O ATOM 748 CB ALA A 48 5.254 5.628 -9.523 1.00 0.00 C ATOM 0 H ALA A 48 2.580 5.056 -10.897 1.00 0.00 H new ATOM 0 HA ALA A 48 4.715 3.573 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.759 5.516 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.984 5.546 -10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.772 6.605 -9.568 1.00 0.00 H new ATOM 754 N CYS A 49 3.532 3.958 -7.431 1.00 0.00 N ATOM 755 CA CYS A 49 2.647 3.908 -6.280 1.00 0.00 C ATOM 756 C CYS A 49 2.533 5.319 -5.700 1.00 0.00 C ATOM 757 O CYS A 49 1.706 5.570 -4.825 1.00 0.00 O ATOM 758 CB CYS A 49 3.132 2.900 -5.237 1.00 0.00 C ATOM 759 SG CYS A 49 3.264 1.176 -5.838 1.00 0.00 S ATOM 0 H CYS A 49 4.434 3.501 -7.296 1.00 0.00 H new ATOM 0 HA CYS A 49 1.661 3.563 -6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.108 3.218 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.451 2.922 -4.387 1.00 0.00 H new ATOM 0 HG CYS A 49 4.469 0.735 -5.631 1.00 0.00 H new ATOM 764 N ALA A 50 3.377 6.204 -6.210 1.00 0.00 N ATOM 765 CA ALA A 50 3.382 7.584 -5.753 1.00 0.00 C ATOM 766 C ALA A 50 2.849 8.487 -6.867 1.00 0.00 C ATOM 767 O ALA A 50 2.941 9.710 -6.777 1.00 0.00 O ATOM 768 CB ALA A 50 4.795 7.972 -5.315 1.00 0.00 C ATOM 0 H ALA A 50 4.062 5.993 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 50 2.728 7.704 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.798 9.007 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.116 7.320 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.479 7.866 -6.157 1.00 0.00 H new ATOM 774 N SER A 51 2.302 7.849 -7.892 1.00 0.00 N ATOM 775 CA SER A 51 1.754 8.580 -9.022 1.00 0.00 C ATOM 776 C SER A 51 0.408 9.200 -8.641 1.00 0.00 C ATOM 777 O SER A 51 0.115 10.334 -9.017 1.00 0.00 O ATOM 778 CB SER A 51 1.593 7.669 -10.241 1.00 0.00 C ATOM 779 OG SER A 51 0.242 7.253 -10.422 1.00 0.00 O ATOM 0 H SER A 51 2.227 6.834 -7.963 1.00 0.00 H new ATOM 0 HA SER A 51 2.451 9.375 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.933 8.194 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.230 6.792 -10.125 1.00 0.00 H new ATOM 0 HG SER A 51 0.181 6.674 -11.211 1.00 0.00 H new ATOM 785 N CYS A 52 -0.374 8.429 -7.900 1.00 0.00 N ATOM 786 CA CYS A 52 -1.682 8.889 -7.464 1.00 0.00 C ATOM 787 C CYS A 52 -1.625 9.139 -5.956 1.00 0.00 C ATOM 788 O CYS A 52 -2.295 10.030 -5.439 1.00 0.00 O ATOM 789 CB CYS A 52 -2.783 7.895 -7.837 1.00 0.00 C ATOM 790 SG CYS A 52 -2.697 7.505 -9.622 1.00 0.00 S ATOM 0 H CYS A 52 -0.127 7.489 -7.590 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.933 9.818 -7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.674 6.982 -7.251 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.760 8.314 -7.595 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.458 7.542 -10.015 1.00 0.00 H new ATOM 795 N HIS A 53 -0.809 8.328 -5.280 1.00 0.00 N ATOM 796 CA HIS A 53 -0.624 8.416 -3.836 1.00 0.00 C ATOM 797 C HIS A 53 0.599 9.296 -3.520 1.00 0.00 C ATOM 798 O HIS A 53 1.082 9.301 -2.389 1.00 0.00 O ATOM 799 CB HIS A 53 -0.546 6.995 -3.259 1.00 0.00 C ATOM 800 CG HIS A 53 -1.679 6.057 -3.605 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.957 6.344 -3.338 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.682 4.822 -4.208 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.726 5.327 -3.759 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.989 4.361 -4.304 1.00 0.00 N ATOM 0 H HIS A 53 -0.258 7.592 -5.722 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.471 8.904 -3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.386 6.542 -3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.488 7.072 -2.173 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.293 7.196 -2.888 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.806 4.293 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.802 5.296 -3.668 1.00 0.00 H new ATOM 812 N THR A 54 1.058 10.014 -4.535 1.00 0.00 N ATOM 813 CA THR A 54 2.207 10.889 -4.374 1.00 0.00 C ATOM 814 C THR A 54 3.364 10.134 -3.716 1.00 0.00 C ATOM 815 O THR A 54 3.198 8.997 -3.276 1.00 0.00 O ATOM 816 CB THR A 54 1.757 12.119 -3.584 1.00 0.00 C ATOM 817 OG1 THR A 54 1.195 11.580 -2.391 1.00 0.00 O ATOM 818 CG2 THR A 54 0.589 12.848 -4.251 1.00 0.00 C ATOM 0 H THR A 54 0.655 10.008 -5.472 1.00 0.00 H new ATOM 0 HA THR A 54 2.587 11.225 -5.339 1.00 0.00 H new ATOM 0 HB THR A 54 2.596 12.805 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.811 10.921 -2.008 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.309 13.713 -3.650 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.887 13.179 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.262 12.172 -4.333 1.00 0.00 H new ATOM 826 N ASN A 55 4.510 10.796 -3.670 1.00 0.00 N ATOM 827 CA ASN A 55 5.694 10.202 -3.073 1.00 0.00 C ATOM 828 C ASN A 55 5.405 9.857 -1.611 1.00 0.00 C ATOM 829 O ASN A 55 6.120 9.062 -1.004 1.00 0.00 O ATOM 830 CB ASN A 55 6.875 11.175 -3.105 1.00 0.00 C ATOM 831 CG ASN A 55 6.459 12.558 -2.599 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.397 12.819 -1.408 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.178 13.427 -3.566 1.00 0.00 N ATOM 0 H ASN A 55 4.644 11.738 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 55 5.947 9.309 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.687 10.788 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.257 11.256 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.890 14.377 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.250 13.144 -4.543 1.00 0.00 H new ATOM 840 N ASN A 56 4.355 10.473 -1.088 1.00 0.00 N ATOM 841 CA ASN A 56 3.962 10.241 0.292 1.00 0.00 C ATOM 842 C ASN A 56 2.461 9.949 0.348 1.00 0.00 C ATOM 843 O ASN A 56 1.630 10.707 -0.147 1.00 0.00 O ATOM 844 CB ASN A 56 4.237 11.472 1.157 1.00 0.00 C ATOM 845 CG ASN A 56 5.316 11.179 2.201 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.044 10.741 3.307 1.00 0.00 O ATOM 847 ND2 ASN A 56 6.553 11.443 1.790 1.00 0.00 N ATOM 0 H ASN A 56 3.764 11.132 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 56 4.540 9.398 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.553 12.302 0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.319 11.783 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.343 11.280 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.711 11.808 0.851 1.00 0.00 H new ATOM 854 N PRO A 57 2.130 8.816 0.971 1.00 0.00 N ATOM 855 CA PRO A 57 0.772 8.347 1.142 1.00 0.00 C ATOM 856 C PRO A 57 0.055 9.217 2.164 1.00 0.00 C ATOM 857 O PRO A 57 -1.063 9.653 1.893 1.00 0.00 O ATOM 858 CB PRO A 57 0.914 6.913 1.648 1.00 0.00 C ATOM 859 CG PRO A 57 2.238 6.949 2.409 1.00 0.00 C ATOM 860 CD PRO A 57 3.081 7.902 1.565 1.00 0.00 C ATOM 0 HA PRO A 57 0.189 8.392 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.084 6.629 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.939 6.196 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.110 7.315 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.692 5.961 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.809 8.433 2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.641 7.363 0.801 1.00 0.00 H new ATOM 868 N ALA A 58 0.696 9.451 3.300 1.00 0.00 N ATOM 869 CA ALA A 58 0.099 10.268 4.342 1.00 0.00 C ATOM 870 C ALA A 58 -0.332 11.610 3.747 1.00 0.00 C ATOM 871 O ALA A 58 -1.166 12.309 4.322 1.00 0.00 O ATOM 872 CB ALA A 58 1.093 10.434 5.493 1.00 0.00 C ATOM 0 H ALA A 58 1.623 9.089 3.521 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.791 9.785 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.645 11.047 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.346 9.455 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.998 10.919 5.126 1.00 0.00 H new ATOM 878 N ASN A 59 0.255 11.930 2.603 1.00 0.00 N ATOM 879 CA ASN A 59 -0.058 13.176 1.924 1.00 0.00 C ATOM 880 C ASN A 59 -1.310 12.983 1.066 1.00 0.00 C ATOM 881 O ASN A 59 -1.864 11.887 1.008 1.00 0.00 O ATOM 882 CB ASN A 59 1.086 13.604 1.003 1.00 0.00 C ATOM 883 CG ASN A 59 1.135 15.127 0.860 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.136 15.819 0.970 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.349 15.607 0.609 1.00 0.00 N ATOM 0 H ASN A 59 0.946 11.348 2.129 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.216 13.943 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.034 13.242 1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.958 13.147 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.487 16.611 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.142 14.971 0.529 1.00 0.00 H new ATOM 892 N VAL A 60 -1.719 14.066 0.421 1.00 0.00 N ATOM 893 CA VAL A 60 -2.895 14.030 -0.431 1.00 0.00 C ATOM 894 C VAL A 60 -2.526 13.399 -1.775 1.00 0.00 C ATOM 895 O VAL A 60 -1.373 13.460 -2.198 1.00 0.00 O ATOM 896 CB VAL A 60 -3.483 15.436 -0.572 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.494 15.495 -1.719 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.117 15.899 0.742 1.00 0.00 C ATOM 0 H VAL A 60 -1.257 14.974 0.472 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.672 13.411 0.017 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.667 16.118 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.897 16.505 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.000 15.228 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.306 14.795 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.527 16.901 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.916 15.213 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.360 15.914 1.526 1.00 0.00 H new ATOM 908 N GLY A 61 -3.528 12.808 -2.410 1.00 0.00 N ATOM 909 CA GLY A 61 -3.323 12.167 -3.698 1.00 0.00 C ATOM 910 C GLY A 61 -4.337 12.670 -4.728 1.00 0.00 C ATOM 911 O GLY A 61 -5.121 13.574 -4.443 1.00 0.00 O ATOM 0 H GLY A 61 -4.484 12.760 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.311 12.367 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.415 11.086 -3.589 1.00 0.00 H new ATOM 915 N LYS A 62 -4.289 12.061 -5.904 1.00 0.00 N ATOM 916 CA LYS A 62 -5.193 12.436 -6.978 1.00 0.00 C ATOM 917 C LYS A 62 -4.962 11.514 -8.177 1.00 0.00 C ATOM 918 O LYS A 62 -3.823 11.288 -8.581 1.00 0.00 O ATOM 919 CB LYS A 62 -5.046 13.922 -7.308 1.00 0.00 C ATOM 920 CG LYS A 62 -5.347 14.189 -8.784 1.00 0.00 C ATOM 921 CD LYS A 62 -5.244 15.682 -9.104 1.00 0.00 C ATOM 922 CE LYS A 62 -3.813 16.187 -8.906 1.00 0.00 C ATOM 923 NZ LYS A 62 -3.777 17.245 -7.872 1.00 0.00 N ATOM 0 H LYS A 62 -3.638 11.311 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.229 12.304 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.723 14.505 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.034 14.252 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.649 13.631 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.347 13.830 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.557 15.860 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.924 16.243 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.166 15.360 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.425 16.576 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.799 17.577 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.378 18.040 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.128 16.862 -6.971 1.00 0.00 H new ATOM 937 N ASN A 63 -6.063 11.008 -8.714 1.00 0.00 N ATOM 938 CA ASN A 63 -5.995 10.116 -9.859 1.00 0.00 C ATOM 939 C ASN A 63 -5.819 10.943 -11.134 1.00 0.00 C ATOM 940 O ASN A 63 -6.479 11.965 -11.312 1.00 0.00 O ATOM 941 CB ASN A 63 -7.282 9.300 -9.999 1.00 0.00 C ATOM 942 CG ASN A 63 -7.112 7.901 -9.403 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.207 7.634 -8.630 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.030 7.027 -9.804 1.00 0.00 N ATOM 0 H ASN A 63 -7.007 11.199 -8.377 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.153 9.439 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.100 9.816 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.554 9.220 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.003 6.066 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.761 7.317 -10.453 1.00 0.00 H new ATOM 951 N ILE A 64 -4.925 10.469 -11.990 1.00 0.00 N ATOM 952 CA ILE A 64 -4.653 11.152 -13.243 1.00 0.00 C ATOM 953 C ILE A 64 -5.612 10.636 -14.318 1.00 0.00 C ATOM 954 O ILE A 64 -5.422 10.901 -15.504 1.00 0.00 O ATOM 955 CB ILE A 64 -3.177 11.014 -13.620 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.892 9.640 -14.231 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.275 11.305 -12.418 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.387 9.392 -14.344 1.00 0.00 C ATOM 0 H ILE A 64 -4.380 9.620 -11.840 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.833 12.222 -13.140 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.949 11.758 -14.383 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.347 8.863 -13.616 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.350 9.575 -15.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.231 11.200 -12.713 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.453 12.322 -12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.498 10.601 -11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.212 8.409 -14.781 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.939 10.156 -14.979 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.936 9.434 -13.353 1.00 0.00 H new ATOM 970 N VAL A 65 -6.623 9.909 -13.864 1.00 0.00 N ATOM 971 CA VAL A 65 -7.612 9.354 -14.772 1.00 0.00 C ATOM 972 C VAL A 65 -8.786 10.328 -14.898 1.00 0.00 C ATOM 973 O VAL A 65 -9.147 10.731 -16.003 1.00 0.00 O ATOM 974 CB VAL A 65 -8.038 7.964 -14.296 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.257 7.466 -15.076 1.00 0.00 C ATOM 976 CG2 VAL A 65 -6.879 6.971 -14.397 1.00 0.00 C ATOM 0 H VAL A 65 -6.778 9.692 -12.880 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.187 9.226 -15.767 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.322 8.042 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.539 6.476 -14.718 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.089 8.155 -14.930 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.013 7.412 -16.137 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.209 5.991 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.550 6.900 -15.434 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.051 7.314 -13.777 1.00 0.00 H new ATOM 986 N THR A 66 -9.348 10.679 -13.751 1.00 0.00 N ATOM 987 CA THR A 66 -10.473 11.598 -13.719 1.00 0.00 C ATOM 988 C THR A 66 -10.011 12.991 -13.289 1.00 0.00 C ATOM 989 O THR A 66 -10.585 13.996 -13.708 1.00 0.00 O ATOM 990 CB THR A 66 -11.544 11.003 -12.802 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.879 10.839 -11.553 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.936 9.580 -13.206 1.00 0.00 C ATOM 0 H THR A 66 -9.045 10.343 -12.837 1.00 0.00 H new ATOM 0 HA THR A 66 -10.908 11.726 -14.710 1.00 0.00 H new ATOM 0 HB THR A 66 -12.428 11.640 -12.815 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.502 10.459 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.698 9.205 -12.523 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.330 9.586 -14.222 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.059 8.934 -13.161 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.978 13.008 -12.460 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.433 14.262 -11.969 1.00 0.00 C ATOM 1002 C GLY A 67 -9.192 14.743 -10.730 1.00 0.00 C ATOM 1003 O GLY A 67 -9.511 15.925 -10.614 1.00 0.00 O ATOM 0 H GLY A 67 -8.504 12.173 -12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.378 14.134 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.491 15.019 -12.751 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.460 13.801 -9.837 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.175 14.114 -8.612 1.00 0.00 C ATOM 1009 C LYS A 68 -9.168 14.407 -7.498 1.00 0.00 C ATOM 1010 O LYS A 68 -7.974 14.550 -7.758 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.164 12.998 -8.269 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.596 13.533 -8.210 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.372 12.898 -7.054 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.656 12.235 -7.555 1.00 0.00 C ATOM 1015 NZ LYS A 68 -14.998 11.067 -6.713 1.00 0.00 N ATOM 0 H LYS A 68 -9.195 12.821 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.777 15.013 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.098 12.207 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.898 12.554 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.579 14.616 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.105 13.325 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.747 12.158 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.617 13.660 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.474 12.955 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.529 11.920 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.872 10.628 -7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.223 10.374 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.139 11.377 -5.730 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.686 14.486 -6.281 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.846 14.759 -5.127 1.00 0.00 C ATOM 1031 C GLU A 69 -8.955 13.621 -4.111 1.00 0.00 C ATOM 1032 O GLU A 69 -9.903 13.571 -3.329 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.211 16.101 -4.489 1.00 0.00 C ATOM 1034 CG GLU A 69 -9.374 17.188 -5.553 1.00 0.00 C ATOM 1035 CD GLU A 69 -8.021 17.580 -6.149 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -7.153 18.004 -5.355 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -7.884 17.446 -7.384 1.00 0.00 O ATOM 0 H GLU A 69 -10.676 14.366 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.811 14.823 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.137 15.999 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.436 16.394 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.034 16.832 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.849 18.065 -5.112 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.971 12.734 -4.155 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.945 11.600 -3.248 1.00 0.00 C ATOM 1046 C ILE A 70 -7.339 12.035 -1.911 1.00 0.00 C ATOM 1047 O ILE A 70 -6.328 12.730 -1.849 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.223 10.415 -3.893 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.952 9.950 -5.155 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.033 9.276 -2.889 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -9.039 8.928 -4.816 1.00 0.00 C ATOM 0 H ILE A 70 -7.186 12.778 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.958 11.254 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.230 10.745 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.399 10.808 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.238 9.509 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.518 8.446 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.440 9.629 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.006 8.940 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.541 8.614 -5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.586 8.061 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.765 9.380 -4.140 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.992 11.604 -0.830 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.595 11.894 0.532 1.00 0.00 C ATOM 1065 C PRO A 71 -6.413 11.016 0.917 1.00 0.00 C ATOM 1066 O PRO A 71 -6.058 10.094 0.187 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.823 11.561 1.377 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.504 10.487 0.596 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.184 10.785 -0.867 1.00 0.00 C ATOM 0 HA PRO A 71 -7.282 12.929 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.543 11.217 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.467 12.431 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.141 9.501 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.580 10.495 0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.015 9.867 -1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.008 11.308 -1.353 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.803 11.307 2.069 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.666 10.583 2.594 1.00 0.00 C ATOM 1079 C PRO A 72 -4.919 9.086 2.487 1.00 0.00 C ATOM 1080 O PRO A 72 -5.990 8.634 2.889 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.565 11.018 4.055 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.884 11.874 4.357 1.00 0.00 C ATOM 1083 CD PRO A 72 -6.195 12.384 2.952 1.00 0.00 C ATOM 0 HA PRO A 72 -3.744 10.789 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.502 10.153 4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.667 11.613 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.690 11.266 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.703 12.684 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.254 12.619 2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.641 13.297 2.732 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.950 8.356 1.954 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.092 6.918 1.805 1.00 0.00 C ATOM 1093 C LEU A 73 -3.639 6.228 3.093 1.00 0.00 C ATOM 1094 O LEU A 73 -4.111 5.139 3.418 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.353 6.434 0.555 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.350 4.922 0.322 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.613 4.479 -0.420 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.076 4.481 -0.402 1.00 0.00 C ATOM 0 H LEU A 73 -3.063 8.734 1.620 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.138 6.652 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.799 6.915 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.319 6.775 0.613 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.356 4.427 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.586 3.400 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.492 4.740 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.662 4.981 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.099 3.402 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.014 4.983 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.206 4.743 0.200 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.729 6.890 3.793 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.207 6.354 5.038 1.00 0.00 C ATOM 1112 C ALA A 74 -3.329 5.633 5.788 1.00 0.00 C ATOM 1113 O ALA A 74 -4.308 6.230 6.230 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.589 7.486 5.862 1.00 0.00 C ATOM 0 H ALA A 74 -2.340 7.793 3.521 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.420 5.626 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.197 7.084 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.779 7.947 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.350 8.235 6.080 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.161 4.315 5.922 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.094 3.438 6.596 1.00 0.00 C ATOM 1122 C PRO A 75 -3.898 3.543 8.101 1.00 0.00 C ATOM 1123 O PRO A 75 -3.814 2.510 8.763 1.00 0.00 O ATOM 1124 CB PRO A 75 -3.747 2.038 6.095 1.00 0.00 C ATOM 1125 CG PRO A 75 -2.257 2.137 5.851 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.022 3.581 5.415 1.00 0.00 C ATOM 0 HA PRO A 75 -5.135 3.689 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.987 1.272 6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.291 1.786 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.693 1.901 6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.936 1.435 5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.089 3.970 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.953 3.659 4.330 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.828 4.766 8.607 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.640 4.976 10.033 1.00 0.00 C ATOM 1136 C ARG A 76 -4.086 6.386 10.424 1.00 0.00 C ATOM 1137 O ARG A 76 -4.965 6.551 11.268 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.175 4.783 10.429 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.000 4.883 11.946 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.961 3.876 12.445 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.586 2.545 12.611 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.930 1.455 13.033 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.373 1.532 13.335 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.578 0.288 13.153 1.00 0.00 N ATOM 0 H ARG A 76 -3.898 5.621 8.055 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.247 4.240 10.560 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.826 3.810 10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.559 5.536 9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.691 5.893 12.214 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.955 4.700 12.439 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.134 3.813 11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.543 4.212 13.394 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.577 2.451 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.866 2.420 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.872 0.702 13.656 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.570 0.230 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.079 -0.542 13.474 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.459 7.368 9.792 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.780 8.759 10.064 1.00 0.00 C ATOM 1160 C VAL A 77 -5.299 8.916 10.167 1.00 0.00 C ATOM 1161 O VAL A 77 -5.795 9.616 11.048 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.158 9.658 8.994 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.770 11.060 9.032 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.637 9.720 9.148 1.00 0.00 C ATOM 0 H VAL A 77 -2.730 7.228 9.092 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.355 9.070 11.018 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.379 9.222 8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.310 11.679 8.261 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.843 10.994 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.593 11.508 10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.219 10.365 8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.387 10.121 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.220 8.718 9.048 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.994 8.253 9.255 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.446 8.311 9.232 1.00 0.00 C ATOM 1176 C ASN A 78 -8.011 6.904 9.438 1.00 0.00 C ATOM 1177 O ASN A 78 -7.827 6.028 8.595 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.955 8.832 7.887 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.984 8.480 6.759 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.065 7.694 6.918 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.238 9.104 5.612 1.00 0.00 N ATOM 0 H ASN A 78 -5.579 7.673 8.526 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.769 8.985 10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.935 8.404 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.083 9.913 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.647 8.936 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.024 9.750 5.546 1.00 0.00 H new ATOM 1188 N THR A 79 -8.687 6.731 10.565 1.00 0.00 N ATOM 1189 CA THR A 79 -9.280 5.446 10.892 1.00 0.00 C ATOM 1190 C THR A 79 -10.262 5.018 9.800 1.00 0.00 C ATOM 1191 O THR A 79 -10.642 3.851 9.724 1.00 0.00 O ATOM 1192 CB THR A 79 -9.922 5.561 12.276 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.680 6.766 12.209 1.00 0.00 O ATOM 1194 CG2 THR A 79 -8.895 5.827 13.378 1.00 0.00 C ATOM 0 H THR A 79 -8.837 7.460 11.263 1.00 0.00 H new ATOM 0 HA THR A 79 -8.525 4.660 10.932 1.00 0.00 H new ATOM 0 HB THR A 79 -10.465 4.643 12.501 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.131 6.917 13.066 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.404 5.900 14.339 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.175 5.009 13.409 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.374 6.762 13.172 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.646 5.986 8.981 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.576 5.725 7.897 1.00 0.00 C ATOM 1204 C LYS A 80 -10.930 4.764 6.897 1.00 0.00 C ATOM 1205 O LYS A 80 -11.626 4.097 6.132 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.051 7.037 7.269 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.182 7.660 8.091 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.532 7.041 7.723 1.00 0.00 C ATOM 1209 CE LYS A 80 -14.969 6.014 8.769 1.00 0.00 C ATOM 1210 NZ LYS A 80 -16.440 5.857 8.760 1.00 0.00 N ATOM 0 H LYS A 80 -10.329 6.953 9.047 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.474 5.237 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.217 7.736 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.395 6.854 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.988 7.513 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.212 8.736 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.285 7.825 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.462 6.563 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.494 5.054 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.637 6.330 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.719 5.156 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.888 6.770 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.749 5.534 7.821 1.00 0.00 H new ATOM 1224 N ARG A 81 -9.606 4.723 6.934 1.00 0.00 N ATOM 1225 CA ARG A 81 -8.859 3.855 6.041 1.00 0.00 C ATOM 1226 C ARG A 81 -8.856 2.420 6.574 1.00 0.00 C ATOM 1227 O ARG A 81 -9.090 2.195 7.760 1.00 0.00 O ATOM 1228 CB ARG A 81 -7.415 4.336 5.885 1.00 0.00 C ATOM 1229 CG ARG A 81 -7.368 5.743 5.286 1.00 0.00 C ATOM 1230 CD ARG A 81 -7.775 5.724 3.811 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.223 7.071 3.392 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.309 7.687 3.878 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.065 7.080 4.803 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.639 8.909 3.439 1.00 0.00 N ATOM 0 H ARG A 81 -9.032 5.277 7.569 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.347 3.884 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.920 4.334 6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.865 3.646 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.035 6.402 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.362 6.151 5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.933 5.404 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.576 5.001 3.655 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.670 7.561 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.814 6.150 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -10.892 7.548 5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.063 9.371 2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.466 9.378 3.809 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.590 1.488 5.671 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.554 0.082 6.035 1.00 0.00 C ATOM 1250 C PHE A 82 -9.757 -0.290 6.904 1.00 0.00 C ATOM 1251 O PHE A 82 -9.593 -0.773 8.024 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.271 -0.139 6.840 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.030 -0.379 5.978 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.087 -0.183 4.634 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.869 -0.787 6.557 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -4.935 -0.405 3.834 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.717 -1.009 5.757 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.774 -0.814 4.413 1.00 0.00 C ATOM 0 H PHE A 82 -8.397 1.679 4.688 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.583 -0.536 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.098 0.730 7.474 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.412 -0.993 7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.009 0.142 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.823 -0.942 7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.981 -0.249 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.795 -1.333 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.898 -0.984 3.805 1.00 0.00 H new ATOM 1268 N THR A 83 -10.939 -0.052 6.355 1.00 0.00 N ATOM 1269 CA THR A 83 -12.169 -0.357 7.065 1.00 0.00 C ATOM 1270 C THR A 83 -12.487 -1.850 6.967 1.00 0.00 C ATOM 1271 O THR A 83 -12.504 -2.553 7.976 1.00 0.00 O ATOM 1272 CB THR A 83 -13.275 0.538 6.502 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.755 1.858 6.635 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.529 0.541 7.377 1.00 0.00 C ATOM 0 H THR A 83 -11.071 0.349 5.426 1.00 0.00 H new ATOM 0 HA THR A 83 -12.072 -0.147 8.130 1.00 0.00 H new ATOM 0 HB THR A 83 -13.535 0.204 5.497 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.319 2.124 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.282 1.192 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.923 -0.472 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.277 0.906 8.373 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.731 -2.291 5.741 1.00 0.00 N ATOM 1283 CA ASP A 84 -13.047 -3.688 5.497 1.00 0.00 C ATOM 1284 C ASP A 84 -11.754 -4.458 5.223 1.00 0.00 C ATOM 1285 O ASP A 84 -11.198 -4.376 4.129 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.957 -3.842 4.277 1.00 0.00 C ATOM 1287 CG ASP A 84 -15.024 -2.756 4.125 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -16.034 -2.845 4.856 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -14.805 -1.860 3.281 1.00 0.00 O ATOM 0 H ASP A 84 -12.716 -1.705 4.906 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.557 -4.077 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.338 -3.850 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.452 -4.812 4.332 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.313 -5.191 6.235 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.096 -5.975 6.116 1.00 0.00 C ATOM 1296 C ILE A 85 -10.352 -7.171 5.196 1.00 0.00 C ATOM 1297 O ILE A 85 -9.432 -7.923 4.879 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.573 -6.366 7.500 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -8.060 -6.595 7.470 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -10.326 -7.579 8.049 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.454 -6.436 8.866 1.00 0.00 C ATOM 0 H ILE A 85 -11.777 -5.258 7.141 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.305 -5.382 5.657 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.760 -5.537 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.847 -7.594 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.595 -5.886 6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.934 -7.835 9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.387 -7.342 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.194 -8.425 7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.378 -6.604 8.817 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.648 -5.428 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.904 -7.162 9.543 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.607 -7.309 4.794 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.996 -8.400 3.917 1.00 0.00 C ATOM 1315 C ASP A 86 -11.830 -7.962 2.461 1.00 0.00 C ATOM 1316 O ASP A 86 -11.426 -8.755 1.612 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.462 -8.782 4.131 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.422 -7.602 4.291 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.471 -7.058 5.415 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -15.085 -7.270 3.285 1.00 0.00 O ATOM 0 H ASP A 86 -12.367 -6.683 5.060 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.363 -9.257 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.791 -9.386 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.532 -9.411 5.019 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.150 -6.700 2.216 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.041 -6.146 0.877 1.00 0.00 C ATOM 1327 C LYS A 87 -10.616 -5.637 0.654 1.00 0.00 C ATOM 1328 O LYS A 87 -9.938 -6.064 -0.280 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.117 -5.083 0.647 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.504 -5.720 0.542 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.555 -4.866 1.253 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.948 -5.115 0.673 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.988 -4.867 1.697 1.00 0.00 N ATOM 0 H LYS A 87 -12.485 -6.045 2.922 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.224 -6.918 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.104 -4.364 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.897 -4.530 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.775 -5.838 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.484 -6.718 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.555 -5.095 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.299 -3.811 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.112 -4.464 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.021 -6.141 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.928 -5.041 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.839 -5.505 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.928 -3.880 2.020 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.202 -4.731 1.528 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.869 -4.159 1.439 1.00 0.00 C ATOM 1349 C VAL A 88 -7.872 -5.256 1.059 1.00 0.00 C ATOM 1350 O VAL A 88 -6.863 -4.984 0.412 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.513 -3.456 2.751 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.491 -4.267 3.548 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.004 -2.036 2.491 1.00 0.00 C ATOM 0 H VAL A 88 -10.766 -4.379 2.301 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.830 -3.400 0.658 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.421 -3.383 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.256 -3.745 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.906 -5.248 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.582 -4.387 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.758 -1.558 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.113 -2.078 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.778 -1.459 1.984 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.191 -6.472 1.479 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.336 -7.611 1.190 1.00 0.00 C ATOM 1365 C GLU A 89 -7.429 -7.983 -0.291 1.00 0.00 C ATOM 1366 O GLU A 89 -6.414 -8.054 -0.982 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.694 -8.804 2.079 1.00 0.00 C ATOM 1368 CG GLU A 89 -7.002 -8.700 3.440 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.373 -9.885 4.334 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.253 -11.028 3.842 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.768 -9.621 5.490 1.00 0.00 O ATOM 0 H GLU A 89 -9.029 -6.693 2.017 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.305 -7.332 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.774 -8.847 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.399 -9.731 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.921 -8.668 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.288 -7.768 3.928 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.656 -8.210 -0.735 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.895 -8.573 -2.122 1.00 0.00 C ATOM 1380 C ASP A 90 -8.506 -7.401 -3.025 1.00 0.00 C ATOM 1381 O ASP A 90 -7.773 -7.579 -3.997 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.373 -8.885 -2.363 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.788 -8.957 -3.834 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.553 -10.026 -4.438 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.329 -7.941 -4.321 1.00 0.00 O ATOM 0 H ASP A 90 -9.496 -8.150 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.299 -9.457 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.610 -9.837 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.975 -8.123 -1.868 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.014 -6.229 -2.673 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.728 -5.029 -3.440 1.00 0.00 C ATOM 1392 C GLU A 91 -7.226 -4.915 -3.709 1.00 0.00 C ATOM 1393 O GLU A 91 -6.814 -4.602 -4.825 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.252 -3.783 -2.723 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.755 -3.609 -2.953 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.024 -2.635 -4.102 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.684 -3.002 -5.248 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -11.564 -1.547 -3.809 1.00 0.00 O ATOM 0 H GLU A 91 -9.622 -6.085 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.244 -5.102 -4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.051 -3.862 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.721 -2.902 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.207 -4.575 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.226 -3.241 -2.042 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.449 -5.177 -2.668 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.002 -5.108 -2.779 1.00 0.00 C ATOM 1407 C PHE A 92 -4.492 -6.033 -3.885 1.00 0.00 C ATOM 1408 O PHE A 92 -3.440 -5.784 -4.472 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.429 -5.572 -1.438 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.622 -4.500 -0.702 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.662 -3.798 -1.363 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.863 -4.249 0.612 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -1.913 -2.803 -0.680 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.114 -3.255 1.295 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.155 -2.553 0.634 1.00 0.00 C ATOM 0 H PHE A 92 -6.794 -5.437 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.695 -4.091 -3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.248 -5.899 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.791 -6.440 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.470 -3.997 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.625 -4.806 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.151 -2.245 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.306 -3.056 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.585 -1.797 1.153 1.00 0.00 H new ATOM 1425 N THR A 93 -5.262 -7.082 -4.137 1.00 0.00 N ATOM 1426 CA THR A 93 -4.901 -8.045 -5.163 1.00 0.00 C ATOM 1427 C THR A 93 -5.455 -7.611 -6.522 1.00 0.00 C ATOM 1428 O THR A 93 -4.806 -7.799 -7.550 1.00 0.00 O ATOM 1429 CB THR A 93 -5.399 -9.421 -4.716 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.314 -9.956 -3.964 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.558 -10.395 -5.885 1.00 0.00 C ATOM 0 H THR A 93 -6.134 -7.286 -3.648 1.00 0.00 H new ATOM 0 HA THR A 93 -3.820 -8.100 -5.291 1.00 0.00 H new ATOM 0 HB THR A 93 -6.354 -9.311 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.466 -9.662 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.914 -11.356 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.278 -9.993 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.596 -10.531 -6.379 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.649 -7.038 -6.482 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.297 -6.575 -7.697 1.00 0.00 C ATOM 1441 C LYS A 94 -6.613 -5.293 -8.179 1.00 0.00 C ATOM 1442 O LYS A 94 -6.641 -4.972 -9.365 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.803 -6.422 -7.476 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.360 -7.592 -6.662 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.562 -8.226 -7.364 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.404 -9.745 -7.457 1.00 0.00 C ATOM 1447 NZ LYS A 94 -11.730 -10.403 -7.470 1.00 0.00 N ATOM 0 H LYS A 94 -7.184 -6.884 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.188 -7.313 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.005 -5.485 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.312 -6.369 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.582 -8.342 -6.517 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.655 -7.243 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.475 -7.984 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.667 -7.806 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.853 -10.005 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.819 -10.108 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.606 -11.434 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.242 -10.169 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.275 -10.069 -8.290 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.007 -4.585 -7.225 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.303 -3.337 -7.493 1.00 0.00 C ATOM 1463 C HIS A 95 -4.011 -3.626 -8.279 1.00 0.00 C ATOM 1464 O HIS A 95 -3.812 -3.148 -9.394 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.083 -2.596 -6.166 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.771 -1.120 -6.255 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.933 -0.417 -7.380 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.298 -0.234 -5.316 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.577 0.857 -7.151 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.176 1.024 -5.892 1.00 0.00 N ATOM 0 H HIS A 95 -5.992 -4.864 -6.244 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.892 -2.675 -8.127 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.978 -2.718 -5.556 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.266 -3.085 -5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.059 -0.478 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.611 1.643 -7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.852 1.884 -5.449 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.136 -4.426 -7.665 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.874 -4.795 -8.273 1.00 0.00 C ATOM 1480 C CYS A 96 -2.130 -5.437 -9.629 1.00 0.00 C ATOM 1481 O CYS A 96 -1.221 -5.449 -10.459 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.127 -5.756 -7.351 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.142 -4.789 -6.180 1.00 0.00 S ATOM 0 H CYS A 96 -3.289 -4.829 -6.740 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.260 -3.906 -8.421 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.833 -6.392 -6.816 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.483 -6.414 -7.934 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.335 -5.948 -9.830 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.679 -6.582 -11.091 1.00 0.00 C ATOM 1490 C ASN A 97 -4.127 -5.513 -12.089 1.00 0.00 C ATOM 1491 O ASN A 97 -4.240 -5.783 -13.284 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.830 -7.574 -10.913 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.322 -9.017 -10.953 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.753 -9.475 -11.930 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.560 -9.705 -9.839 1.00 0.00 N ATOM 0 H ASN A 97 -4.086 -5.936 -9.140 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.798 -7.113 -11.453 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.332 -7.388 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.570 -7.423 -11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.261 -10.677 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.042 -9.260 -9.058 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.369 -4.322 -11.563 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.802 -3.210 -12.393 1.00 0.00 C ATOM 1504 C ASP A 98 -3.772 -2.082 -12.304 1.00 0.00 C ATOM 1505 O ASP A 98 -3.991 -0.994 -12.834 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.148 -2.660 -11.919 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.202 -2.497 -13.015 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.468 -3.507 -13.702 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.720 -1.366 -13.142 1.00 0.00 O ATOM 0 H ASP A 98 -4.274 -4.102 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.901 -3.572 -13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.544 -3.324 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.982 -1.691 -11.448 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.671 -2.380 -11.629 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.608 -1.404 -11.464 1.00 0.00 C ATOM 1516 C ILE A 99 -0.306 -1.974 -12.032 1.00 0.00 C ATOM 1517 O ILE A 99 0.381 -1.309 -12.806 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.502 -0.970 -10.001 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.803 -0.320 -9.526 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.294 -0.055 -9.787 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.095 0.960 -10.311 1.00 0.00 C ATOM 0 H ILE A 99 -2.493 -3.283 -11.190 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.832 -0.497 -12.026 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.345 -1.860 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.629 -1.021 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.732 -0.091 -8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.242 0.239 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.618 -0.586 -10.061 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.397 0.834 -10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.025 1.402 -9.954 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.279 1.668 -10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.190 0.723 -11.371 1.00 0.00 H new ATOM 1533 N LEU A 100 -0.007 -3.199 -11.626 1.00 0.00 N ATOM 1534 CA LEU A 100 1.200 -3.866 -12.085 1.00 0.00 C ATOM 1535 C LEU A 100 0.845 -4.831 -13.217 1.00 0.00 C ATOM 1536 O LEU A 100 1.646 -5.052 -14.124 1.00 0.00 O ATOM 1537 CB LEU A 100 1.923 -4.532 -10.913 1.00 0.00 C ATOM 1538 CG LEU A 100 2.635 -3.589 -9.941 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.266 -4.367 -8.785 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.658 -2.718 -10.672 1.00 0.00 C ATOM 0 H LEU A 100 -0.580 -3.747 -10.984 1.00 0.00 H new ATOM 0 HA LEU A 100 1.904 -3.141 -12.493 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.197 -5.120 -10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.657 -5.230 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 100 1.892 -2.919 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.765 -3.673 -8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.489 -4.906 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.993 -5.077 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.150 -2.057 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.403 -3.355 -11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.152 -2.121 -11.430 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.358 -5.381 -13.128 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.829 -6.318 -14.134 1.00 0.00 C ATOM 1554 C GLY A 101 -0.843 -7.747 -13.587 1.00 0.00 C ATOM 1555 O GLY A 101 -0.945 -8.706 -14.351 1.00 0.00 O ATOM 0 H GLY A 101 -1.020 -5.195 -12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.832 -6.038 -14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.186 -6.267 -15.013 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.740 -7.844 -12.270 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.741 -9.140 -11.613 1.00 0.00 C ATOM 1561 C ALA A 102 -0.927 -8.943 -10.107 1.00 0.00 C ATOM 1562 O ALA A 102 -1.213 -7.837 -9.653 1.00 0.00 O ATOM 1563 CB ALA A 102 0.554 -9.883 -11.948 1.00 0.00 C ATOM 0 H ALA A 102 -0.655 -7.046 -11.640 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.570 -9.751 -11.971 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.554 -10.855 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.625 -10.023 -13.027 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.408 -9.301 -11.601 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.756 -10.034 -9.375 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.901 -9.995 -7.929 1.00 0.00 C ATOM 1571 C ASP A 103 0.475 -9.804 -7.287 1.00 0.00 C ATOM 1572 O ASP A 103 1.394 -10.600 -7.468 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.492 -11.303 -7.400 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.360 -11.160 -6.148 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.298 -10.072 -5.536 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.065 -12.142 -5.831 1.00 0.00 O ATOM 0 H ASP A 103 -0.519 -10.950 -9.756 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.568 -9.170 -7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.090 -11.759 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.675 -11.991 -7.181 1.00 0.00 H new ATOM 1581 N CYS A 104 0.596 -8.716 -6.524 1.00 0.00 N ATOM 1582 CA CYS A 104 1.832 -8.388 -5.843 1.00 0.00 C ATOM 1583 C CYS A 104 2.189 -9.502 -4.871 1.00 0.00 C ATOM 1584 O CYS A 104 1.311 -10.293 -4.528 1.00 0.00 O ATOM 1585 CB CYS A 104 1.671 -7.059 -5.110 1.00 0.00 C ATOM 1586 SG CYS A 104 1.666 -5.720 -6.328 1.00 0.00 S ATOM 0 H CYS A 104 -0.158 -8.048 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 104 2.640 -8.290 -6.568 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.743 -7.053 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.485 -6.919 -4.398 1.00 0.00 H new ATOM 1591 N SER A 105 3.445 -9.548 -4.451 1.00 0.00 N ATOM 1592 CA SER A 105 3.887 -10.574 -3.522 1.00 0.00 C ATOM 1593 C SER A 105 3.428 -10.228 -2.104 1.00 0.00 C ATOM 1594 O SER A 105 3.399 -9.071 -1.691 1.00 0.00 O ATOM 1595 CB SER A 105 5.408 -10.736 -3.562 1.00 0.00 C ATOM 1596 OG SER A 105 6.077 -9.662 -2.907 1.00 0.00 O ATOM 0 H SER A 105 4.171 -8.891 -4.737 1.00 0.00 H new ATOM 0 HA SER A 105 3.440 -11.522 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.685 -11.678 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.740 -10.791 -4.599 1.00 0.00 H new ATOM 0 HG SER A 105 6.577 -10.008 -2.139 1.00 0.00 H new ATOM 1602 N PRO A 106 3.064 -11.274 -1.358 1.00 0.00 N ATOM 1603 CA PRO A 106 2.600 -11.179 0.009 1.00 0.00 C ATOM 1604 C PRO A 106 3.678 -10.538 0.871 1.00 0.00 C ATOM 1605 O PRO A 106 3.375 -10.118 1.987 1.00 0.00 O ATOM 1606 CB PRO A 106 2.343 -12.622 0.437 1.00 0.00 C ATOM 1607 CG PRO A 106 3.178 -13.483 -0.537 1.00 0.00 C ATOM 1608 CD PRO A 106 3.086 -12.648 -1.812 1.00 0.00 C ATOM 0 HA PRO A 106 1.705 -10.566 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.648 -12.787 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.283 -12.870 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.207 -13.608 -0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.761 -14.482 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.937 -12.834 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.187 -12.891 -2.379 1.00 0.00 H new ATOM 1616 N SER A 107 4.895 -10.477 0.352 1.00 0.00 N ATOM 1617 CA SER A 107 5.997 -9.886 1.093 1.00 0.00 C ATOM 1618 C SER A 107 6.013 -8.370 0.886 1.00 0.00 C ATOM 1619 O SER A 107 6.196 -7.613 1.838 1.00 0.00 O ATOM 1620 CB SER A 107 7.335 -10.494 0.669 1.00 0.00 C ATOM 1621 OG SER A 107 7.707 -10.100 -0.649 1.00 0.00 O ATOM 0 H SER A 107 5.143 -10.827 -0.573 1.00 0.00 H new ATOM 0 HA SER A 107 5.851 -10.100 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.111 -10.188 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.271 -11.581 0.718 1.00 0.00 H new ATOM 0 HG SER A 107 8.567 -10.508 -0.882 1.00 0.00 H new ATOM 1627 N GLU A 108 5.819 -7.973 -0.363 1.00 0.00 N ATOM 1628 CA GLU A 108 5.809 -6.562 -0.706 1.00 0.00 C ATOM 1629 C GLU A 108 4.570 -5.881 -0.121 1.00 0.00 C ATOM 1630 O GLU A 108 4.453 -4.658 -0.159 1.00 0.00 O ATOM 1631 CB GLU A 108 5.878 -6.366 -2.222 1.00 0.00 C ATOM 1632 CG GLU A 108 6.989 -7.221 -2.836 1.00 0.00 C ATOM 1633 CD GLU A 108 8.208 -6.366 -3.186 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.991 -5.267 -3.741 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.331 -6.830 -2.890 1.00 0.00 O ATOM 0 H GLU A 108 5.668 -8.604 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 108 6.694 -6.097 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.921 -6.631 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.056 -5.315 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 108 7.279 -8.005 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.618 -7.716 -3.733 1.00 0.00 H new ATOM 1642 N LYS A 109 3.676 -6.705 0.407 1.00 0.00 N ATOM 1643 CA LYS A 109 2.450 -6.198 0.999 1.00 0.00 C ATOM 1644 C LYS A 109 2.697 -5.875 2.474 1.00 0.00 C ATOM 1645 O LYS A 109 2.639 -4.714 2.877 1.00 0.00 O ATOM 1646 CB LYS A 109 1.298 -7.179 0.769 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.050 -6.522 1.071 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.709 -6.007 -0.210 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.163 -7.168 -1.098 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.312 -6.720 -2.501 1.00 0.00 N ATOM 0 H LYS A 109 3.777 -7.720 0.437 1.00 0.00 H new ATOM 0 HA LYS A 109 2.149 -5.269 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.313 -7.528 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.430 -8.055 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.708 -7.241 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.092 -5.696 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.565 -5.382 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.006 -5.379 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.438 -7.980 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.111 -7.563 -0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.733 -7.485 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.930 -5.884 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.378 -6.476 -2.889 1.00 0.00 H new ATOM 1664 N ALA A 110 2.967 -6.923 3.239 1.00 0.00 N ATOM 1665 CA ALA A 110 3.223 -6.765 4.661 1.00 0.00 C ATOM 1666 C ALA A 110 4.267 -5.666 4.868 1.00 0.00 C ATOM 1667 O ALA A 110 4.352 -5.081 5.946 1.00 0.00 O ATOM 1668 CB ALA A 110 3.662 -8.106 5.252 1.00 0.00 C ATOM 0 H ALA A 110 3.014 -7.884 2.901 1.00 0.00 H new ATOM 0 HA ALA A 110 2.316 -6.460 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.854 -7.988 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.874 -8.844 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.572 -8.443 4.754 1.00 0.00 H new ATOM 1674 N ASN A 111 5.036 -5.419 3.818 1.00 0.00 N ATOM 1675 CA ASN A 111 6.071 -4.401 3.871 1.00 0.00 C ATOM 1676 C ASN A 111 5.427 -3.019 3.753 1.00 0.00 C ATOM 1677 O ASN A 111 5.648 -2.153 4.598 1.00 0.00 O ATOM 1678 CB ASN A 111 7.061 -4.562 2.716 1.00 0.00 C ATOM 1679 CG ASN A 111 8.437 -4.009 3.092 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.422 -4.725 3.172 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.451 -2.698 3.318 1.00 0.00 N ATOM 0 H ASN A 111 4.963 -5.907 2.925 1.00 0.00 H new ATOM 0 HA ASN A 111 6.601 -4.507 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.149 -5.616 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.685 -4.042 1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.322 -2.234 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.591 -2.157 3.234 1.00 0.00 H new ATOM 1688 N PHE A 112 4.642 -2.854 2.698 1.00 0.00 N ATOM 1689 CA PHE A 112 3.965 -1.592 2.459 1.00 0.00 C ATOM 1690 C PHE A 112 3.093 -1.202 3.654 1.00 0.00 C ATOM 1691 O PHE A 112 3.106 -0.051 4.087 1.00 0.00 O ATOM 1692 CB PHE A 112 3.070 -1.789 1.234 1.00 0.00 C ATOM 1693 CG PHE A 112 2.331 -0.524 0.792 1.00 0.00 C ATOM 1694 CD1 PHE A 112 3.033 0.598 0.477 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.973 -0.522 0.714 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.347 1.772 0.067 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.288 0.652 0.304 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.989 1.774 -0.011 1.00 0.00 C ATOM 0 H PHE A 112 4.460 -3.574 1.999 1.00 0.00 H new ATOM 0 HA PHE A 112 4.699 -0.801 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.680 -2.149 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.338 -2.567 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.111 0.596 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.416 -1.413 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.904 2.663 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.790 0.654 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.467 2.667 -0.323 1.00 0.00 H new ATOM 1708 N ILE A 113 2.357 -2.184 4.154 1.00 0.00 N ATOM 1709 CA ILE A 113 1.481 -1.958 5.291 1.00 0.00 C ATOM 1710 C ILE A 113 2.300 -1.404 6.459 1.00 0.00 C ATOM 1711 O ILE A 113 1.861 -0.486 7.150 1.00 0.00 O ATOM 1712 CB ILE A 113 0.708 -3.233 5.634 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.498 -3.408 4.708 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.305 -3.250 7.109 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.441 -4.755 3.983 1.00 0.00 C ATOM 0 H ILE A 113 2.349 -3.138 3.793 1.00 0.00 H new ATOM 0 HA ILE A 113 0.726 -1.210 5.047 1.00 0.00 H new ATOM 0 HB ILE A 113 1.366 -4.086 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.419 -3.341 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.521 -2.599 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.243 -4.167 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.199 -3.206 7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.329 -2.389 7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.309 -4.855 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.469 -4.808 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.442 -5.563 4.715 1.00 0.00 H new ATOM 1727 N ALA A 114 3.477 -1.984 6.642 1.00 0.00 N ATOM 1728 CA ALA A 114 4.362 -1.560 7.714 1.00 0.00 C ATOM 1729 C ALA A 114 4.674 -0.070 7.552 1.00 0.00 C ATOM 1730 O ALA A 114 4.137 0.789 8.248 1.00 0.00 O ATOM 1731 CB ALA A 114 5.624 -2.424 7.706 1.00 0.00 C ATOM 0 H ALA A 114 3.839 -2.744 6.066 1.00 0.00 H new ATOM 0 HA ALA A 114 3.882 -1.693 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.288 -2.106 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.351 -3.469 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.134 -2.314 6.749 1.00 0.00 H new ATOM 1737 N TYR A 115 5.567 0.219 6.603 1.00 0.00 N ATOM 1738 CA TYR A 115 5.971 1.583 6.327 1.00 0.00 C ATOM 1739 C TYR A 115 4.778 2.516 6.476 1.00 0.00 C ATOM 1740 O TYR A 115 4.935 3.596 7.042 1.00 0.00 O ATOM 1741 CB TYR A 115 6.549 1.665 4.917 1.00 0.00 C ATOM 1742 CG TYR A 115 7.856 2.418 4.844 1.00 0.00 C ATOM 1743 CD1 TYR A 115 7.869 3.812 4.970 1.00 0.00 C ATOM 1744 CD2 TYR A 115 9.055 1.721 4.650 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.080 4.510 4.903 1.00 0.00 C ATOM 1746 CE2 TYR A 115 10.267 2.419 4.583 1.00 0.00 C ATOM 1747 CZ TYR A 115 10.280 3.814 4.710 1.00 0.00 C ATOM 1748 OH TYR A 115 11.460 4.494 4.644 1.00 0.00 O ATOM 0 H TYR A 115 6.020 -0.481 6.016 1.00 0.00 H new ATOM 0 HA TYR A 115 6.737 1.890 7.039 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.699 0.655 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.823 2.149 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.944 4.349 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 115 9.045 0.645 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.089 5.586 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 115 11.192 1.882 4.433 1.00 0.00 H new ATOM 0 HH TYR A 115 12.195 3.861 4.508 1.00 0.00 H new ATOM 1758 N LEU A 116 3.627 2.091 5.975 1.00 0.00 N ATOM 1759 CA LEU A 116 2.426 2.905 6.064 1.00 0.00 C ATOM 1760 C LEU A 116 2.086 3.144 7.536 1.00 0.00 C ATOM 1761 O LEU A 116 2.056 4.285 7.993 1.00 0.00 O ATOM 1762 CB LEU A 116 1.288 2.269 5.264 1.00 0.00 C ATOM 1763 CG LEU A 116 0.905 2.976 3.963 1.00 0.00 C ATOM 1764 CD1 LEU A 116 2.134 3.206 3.082 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -0.195 2.210 3.225 1.00 0.00 C ATOM 0 H LEU A 116 3.501 1.194 5.506 1.00 0.00 H new ATOM 0 HA LEU A 116 2.593 3.883 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.567 1.242 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.405 2.221 5.901 1.00 0.00 H new ATOM 0 HG LEU A 116 0.501 3.957 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.834 3.710 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.854 3.825 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.591 2.247 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.448 2.735 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.158 1.207 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.079 2.142 3.859 1.00 0.00 H new ATOM 1777 N LEU A 117 1.837 2.048 8.238 1.00 0.00 N ATOM 1778 CA LEU A 117 1.499 2.124 9.649 1.00 0.00 C ATOM 1779 C LEU A 117 2.543 2.975 10.374 1.00 0.00 C ATOM 1780 O LEU A 117 2.220 3.682 11.327 1.00 0.00 O ATOM 1781 CB LEU A 117 1.334 0.721 10.237 1.00 0.00 C ATOM 1782 CG LEU A 117 0.207 -0.127 9.643 1.00 0.00 C ATOM 1783 CD1 LEU A 117 0.360 -1.597 10.038 1.00 0.00 C ATOM 1784 CD2 LEU A 117 -1.163 0.431 10.033 1.00 0.00 C ATOM 0 H LEU A 117 1.863 1.103 7.856 1.00 0.00 H new ATOM 0 HA LEU A 117 0.536 2.616 9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.273 0.182 10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.164 0.816 11.309 1.00 0.00 H new ATOM 0 HG LEU A 117 0.278 -0.076 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.454 -2.177 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.313 -1.976 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.330 -1.687 11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.946 -0.190 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.260 0.430 11.119 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.260 1.451 9.661 1.00 0.00 H new ATOM 1796 N THR A 118 3.774 2.879 9.895 1.00 0.00 N ATOM 1797 CA THR A 118 4.868 3.632 10.485 1.00 0.00 C ATOM 1798 C THR A 118 4.736 5.118 10.148 1.00 0.00 C ATOM 1799 O THR A 118 4.637 5.955 11.043 1.00 0.00 O ATOM 1800 CB THR A 118 6.182 3.013 10.002 1.00 0.00 C ATOM 1801 OG1 THR A 118 6.694 2.345 11.152 1.00 0.00 O ATOM 1802 CG2 THR A 118 7.243 4.069 9.682 1.00 0.00 C ATOM 0 H THR A 118 4.039 2.291 9.105 1.00 0.00 H new ATOM 0 HA THR A 118 4.846 3.575 11.573 1.00 0.00 H new ATOM 0 HB THR A 118 5.994 2.406 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 118 7.630 2.601 11.289 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.155 3.577 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.874 4.729 8.897 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.456 4.653 10.577 1.00 0.00 H new