USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -5.09! C(o=-5.2!,f=-12!) USER MOD Set 1.2: A 115 THR OG1 : rot -73:sc= -0.134 USER MOD Set 2.1: A 42 MET CE :methyl -134:sc= -0.083 (180deg=-0.769) USER MOD Set 2.2: A 56 ASN : amide:sc= -3.35 K(o=-3.4,f=-0.61) USER MOD Set 3.1: A 27 THR OG1 : rot -70:sc= 0.924 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0.812 USER MOD Single : A 10 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -6:sc= 0.698! USER MOD Single : A 25 SER OG : rot 6:sc= 0.989 USER MOD Single : A 32 MET CE :methyl 148:sc= -1.62 (180deg=-2.78!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.32! C(o=-3.3!,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 40:sc= 0.591 USER MOD Single : A 69 SER OG : rot -174:sc= 0.00642 USER MOD Single : A 76 ASN : amide:sc= -2.6 K(o=-2.6,f=-1.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.397 K(o=0.4,f=-0.22) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 93 THR OG1 : rot -33:sc= 0.0837! USER MOD Single : A 94 TYR OH : rot -55:sc= 0.692 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -110:sc= 0.436 (180deg=-0.895) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 152:sc= 0.126 (180deg=0.00491) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00543) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.585 26.772 -4.770 1.00 0.00 N ATOM 67 CA GLU A 8 -7.143 25.953 -3.701 1.00 0.00 C ATOM 68 C GLU A 8 -6.477 24.581 -3.662 1.00 0.00 C ATOM 69 O GLU A 8 -6.330 23.920 -4.691 1.00 0.00 O ATOM 70 CB GLU A 8 -8.654 25.794 -3.885 1.00 0.00 C ATOM 71 CG GLU A 8 -9.276 24.772 -2.948 1.00 0.00 C ATOM 72 CD GLU A 8 -10.776 24.947 -2.808 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.202 25.981 -2.252 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.523 24.051 -3.253 1.00 0.00 O ATOM 0 HA GLU A 8 -6.951 26.458 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.135 26.759 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.858 25.502 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.064 23.769 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.811 24.855 -1.966 1.00 0.00 H new ATOM 81 N LEU A 9 -6.074 24.159 -2.469 1.00 0.00 N ATOM 82 CA LEU A 9 -5.422 22.865 -2.295 1.00 0.00 C ATOM 83 C LEU A 9 -6.252 21.749 -2.919 1.00 0.00 C ATOM 84 O LEU A 9 -7.464 21.883 -3.086 1.00 0.00 O ATOM 85 CB LEU A 9 -5.199 22.580 -0.808 1.00 0.00 C ATOM 86 CG LEU A 9 -4.922 21.123 -0.439 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.143 21.042 0.865 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.224 20.342 -0.334 1.00 0.00 C ATOM 0 H LEU A 9 -6.187 24.693 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.457 22.901 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.361 23.187 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.080 22.912 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.317 20.677 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.955 19.997 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.193 21.566 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.722 21.505 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.007 19.307 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.855 20.788 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.744 20.371 -1.291 1.00 0.00 H new ATOM 100 N GLN A 10 -5.592 20.647 -3.260 1.00 0.00 N ATOM 101 CA GLN A 10 -6.270 19.507 -3.865 1.00 0.00 C ATOM 102 C GLN A 10 -5.439 18.237 -3.715 1.00 0.00 C ATOM 103 O GLN A 10 -4.242 18.228 -4.005 1.00 0.00 O ATOM 104 CB GLN A 10 -6.547 19.777 -5.345 1.00 0.00 C ATOM 105 CG GLN A 10 -6.779 18.516 -6.161 1.00 0.00 C ATOM 106 CD GLN A 10 -8.042 17.782 -5.754 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.147 18.313 -5.870 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.885 16.553 -5.275 1.00 0.00 N ATOM 0 H GLN A 10 -4.589 20.520 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.218 19.363 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.422 20.421 -5.431 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.706 20.325 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.840 18.777 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.923 17.851 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.950 16.152 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.699 16.010 -4.986 1.00 0.00 H new ATOM 117 N VAL A 11 -6.081 17.165 -3.260 1.00 0.00 N ATOM 118 CA VAL A 11 -5.401 15.889 -3.072 1.00 0.00 C ATOM 119 C VAL A 11 -5.018 15.268 -4.410 1.00 0.00 C ATOM 120 O VAL A 11 -5.861 14.703 -5.108 1.00 0.00 O ATOM 121 CB VAL A 11 -6.280 14.895 -2.290 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.622 13.524 -2.242 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.551 15.414 -0.886 1.00 0.00 C ATOM 0 H VAL A 11 -7.071 17.155 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.497 16.093 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.235 14.796 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.257 12.835 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.484 13.151 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.653 13.603 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.173 14.699 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.607 15.543 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.067 16.372 -0.946 1.00 0.00 H new ATOM 133 N ILE A 12 -3.741 15.377 -4.762 1.00 0.00 N ATOM 134 CA ILE A 12 -3.246 14.824 -6.017 1.00 0.00 C ATOM 135 C ILE A 12 -2.871 13.354 -5.860 1.00 0.00 C ATOM 136 O ILE A 12 -1.860 13.024 -5.241 1.00 0.00 O ATOM 137 CB ILE A 12 -2.020 15.603 -6.530 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.416 17.033 -6.902 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.403 14.891 -7.725 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.537 17.106 -7.915 1.00 0.00 C ATOM 0 H ILE A 12 -3.031 15.843 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.054 14.915 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.277 15.647 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.718 17.564 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.543 17.551 -7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.538 15.453 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.090 13.890 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.139 14.820 -8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.765 18.150 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.231 16.604 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.424 16.617 -7.512 1.00 0.00 H new ATOM 152 N GLN A 13 -3.693 12.476 -6.427 1.00 0.00 N ATOM 153 CA GLN A 13 -3.446 11.041 -6.351 1.00 0.00 C ATOM 154 C GLN A 13 -3.273 10.444 -7.744 1.00 0.00 C ATOM 155 O GLN A 13 -4.239 10.090 -8.419 1.00 0.00 O ATOM 156 CB GLN A 13 -4.596 10.343 -5.623 1.00 0.00 C ATOM 157 CG GLN A 13 -4.706 10.720 -4.155 1.00 0.00 C ATOM 158 CD GLN A 13 -3.937 9.776 -3.251 1.00 0.00 C ATOM 159 OE1 GLN A 13 -2.818 10.074 -2.832 1.00 0.00 O ATOM 160 NE2 GLN A 13 -4.535 8.631 -2.946 1.00 0.00 N ATOM 0 H GLN A 13 -4.534 12.733 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.523 10.885 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.533 10.588 -6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.464 9.264 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.333 11.735 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.756 10.723 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.463 8.426 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.066 7.956 -2.341 1.00 0.00 H new ATOM 169 N PRO A 14 -2.012 10.329 -8.186 1.00 0.00 N ATOM 170 CA PRO A 14 -1.682 9.775 -9.502 1.00 0.00 C ATOM 171 C PRO A 14 -1.951 8.276 -9.584 1.00 0.00 C ATOM 172 O PRO A 14 -2.332 7.762 -10.635 1.00 0.00 O ATOM 173 CB PRO A 14 -0.184 10.058 -9.641 1.00 0.00 C ATOM 174 CG PRO A 14 0.316 10.146 -8.241 1.00 0.00 C ATOM 175 CD PRO A 14 -0.811 10.731 -7.435 1.00 0.00 C ATOM 0 HA PRO A 14 -2.288 10.216 -10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.320 9.264 -10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.005 10.986 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.596 9.162 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.205 10.774 -8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.823 10.339 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.729 11.815 -7.358 1.00 0.00 H new ATOM 183 N GLU A 15 -1.750 7.582 -8.469 1.00 0.00 N ATOM 184 CA GLU A 15 -1.971 6.141 -8.416 1.00 0.00 C ATOM 185 C GLU A 15 -3.448 5.825 -8.198 1.00 0.00 C ATOM 186 O GLU A 15 -4.012 6.131 -7.147 1.00 0.00 O ATOM 187 CB GLU A 15 -1.134 5.515 -7.299 1.00 0.00 C ATOM 188 CG GLU A 15 0.319 5.285 -7.683 1.00 0.00 C ATOM 189 CD GLU A 15 0.929 4.093 -6.972 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.746 3.977 -5.742 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.588 3.275 -7.647 1.00 0.00 O ATOM 0 H GLU A 15 -1.435 7.993 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.663 5.717 -9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.171 6.162 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.580 4.563 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.387 5.134 -8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.898 6.178 -7.449 1.00 0.00 H new ATOM 198 N LYS A 16 -4.069 5.211 -9.199 1.00 0.00 N ATOM 199 CA LYS A 16 -5.480 4.851 -9.118 1.00 0.00 C ATOM 200 C LYS A 16 -5.668 3.555 -8.336 1.00 0.00 C ATOM 201 O LYS A 16 -6.699 3.349 -7.697 1.00 0.00 O ATOM 202 CB LYS A 16 -6.071 4.702 -10.522 1.00 0.00 C ATOM 203 CG LYS A 16 -5.336 3.693 -11.387 1.00 0.00 C ATOM 204 CD LYS A 16 -6.275 3.008 -12.365 1.00 0.00 C ATOM 205 CE LYS A 16 -6.573 3.893 -13.565 1.00 0.00 C ATOM 206 NZ LYS A 16 -7.487 3.226 -14.534 1.00 0.00 N ATOM 0 H LYS A 16 -3.618 4.952 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.003 5.650 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.116 4.403 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.056 5.672 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.540 4.195 -11.937 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.862 2.945 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.830 2.072 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.206 2.754 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.023 4.826 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.640 4.152 -14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.665 3.862 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.048 2.348 -14.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.387 3.001 -14.064 1.00 0.00 H new ATOM 220 N SER A 17 -4.664 2.686 -8.391 1.00 0.00 N ATOM 221 CA SER A 17 -4.720 1.409 -7.689 1.00 0.00 C ATOM 222 C SER A 17 -3.327 0.798 -7.560 1.00 0.00 C ATOM 223 O SER A 17 -2.567 0.747 -8.527 1.00 0.00 O ATOM 224 CB SER A 17 -5.648 0.439 -8.424 1.00 0.00 C ATOM 225 OG SER A 17 -4.976 -0.194 -9.499 1.00 0.00 O ATOM 0 H SER A 17 -3.802 2.843 -8.914 1.00 0.00 H new ATOM 0 HA SER A 17 -5.113 1.590 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.017 -0.314 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.517 0.978 -8.801 1.00 0.00 H new ATOM 0 HG SER A 17 -5.590 -0.810 -9.951 1.00 0.00 H new ATOM 231 N VAL A 18 -3.000 0.336 -6.358 1.00 0.00 N ATOM 232 CA VAL A 18 -1.700 -0.272 -6.101 1.00 0.00 C ATOM 233 C VAL A 18 -1.788 -1.794 -6.139 1.00 0.00 C ATOM 234 O VAL A 18 -2.835 -2.373 -5.851 1.00 0.00 O ATOM 235 CB VAL A 18 -1.137 0.164 -4.735 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.109 -0.638 -4.390 1.00 0.00 C ATOM 237 CG2 VAL A 18 -0.838 1.656 -4.734 1.00 0.00 C ATOM 0 H VAL A 18 -3.617 0.371 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.029 0.070 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.890 -0.033 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.492 -0.316 -3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.141 -1.698 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.869 -0.475 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.441 1.947 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.104 1.880 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.755 2.211 -4.932 1.00 0.00 H new ATOM 247 N SER A 19 -0.680 -2.436 -6.497 1.00 0.00 N ATOM 248 CA SER A 19 -0.632 -3.891 -6.577 1.00 0.00 C ATOM 249 C SER A 19 0.563 -4.439 -5.803 1.00 0.00 C ATOM 250 O SER A 19 1.711 -4.096 -6.087 1.00 0.00 O ATOM 251 CB SER A 19 -0.558 -4.341 -8.038 1.00 0.00 C ATOM 252 OG SER A 19 0.782 -4.360 -8.498 1.00 0.00 O ATOM 0 H SER A 19 0.196 -1.971 -6.736 1.00 0.00 H new ATOM 0 HA SER A 19 -1.544 -4.285 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.994 -5.335 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.150 -3.669 -8.659 1.00 0.00 H new ATOM 0 HG SER A 19 1.370 -3.989 -7.807 1.00 0.00 H new ATOM 258 N VAL A 20 0.285 -5.293 -4.824 1.00 0.00 N ATOM 259 CA VAL A 20 1.336 -5.890 -4.008 1.00 0.00 C ATOM 260 C VAL A 20 1.017 -7.343 -3.678 1.00 0.00 C ATOM 261 O VAL A 20 0.027 -7.896 -4.157 1.00 0.00 O ATOM 262 CB VAL A 20 1.541 -5.109 -2.697 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.578 -4.012 -2.884 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.221 -4.529 -2.211 1.00 0.00 C ATOM 0 H VAL A 20 -0.660 -5.587 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 20 2.254 -5.847 -4.594 1.00 0.00 H new ATOM 0 HB VAL A 20 1.911 -5.799 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.709 -3.471 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.528 -4.456 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.242 -3.321 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.384 -3.980 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.180 -3.853 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.488 -5.337 -2.034 1.00 0.00 H new ATOM 274 N ALA A 21 1.861 -7.956 -2.854 1.00 0.00 N ATOM 275 CA ALA A 21 1.667 -9.345 -2.457 1.00 0.00 C ATOM 276 C ALA A 21 1.655 -9.485 -0.938 1.00 0.00 C ATOM 277 O ALA A 21 2.409 -8.810 -0.238 1.00 0.00 O ATOM 278 CB ALA A 21 2.752 -10.224 -3.061 1.00 0.00 C ATOM 0 H ALA A 21 2.685 -7.512 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 21 0.698 -9.673 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.594 -11.258 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.712 -10.156 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.729 -9.888 -2.712 1.00 0.00 H new ATOM 284 N ALA A 22 0.795 -10.365 -0.436 1.00 0.00 N ATOM 285 CA ALA A 22 0.687 -10.594 0.999 1.00 0.00 C ATOM 286 C ALA A 22 2.063 -10.625 1.655 1.00 0.00 C ATOM 287 O ALA A 22 2.758 -11.640 1.615 1.00 0.00 O ATOM 288 CB ALA A 22 -0.060 -11.891 1.272 1.00 0.00 C ATOM 0 H ALA A 22 0.163 -10.931 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 22 0.126 -9.767 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.133 -12.049 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.061 -11.831 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.478 -12.723 0.819 1.00 0.00 H new ATOM 294 N GLY A 23 2.451 -9.506 2.260 1.00 0.00 N ATOM 295 CA GLY A 23 3.743 -9.427 2.915 1.00 0.00 C ATOM 296 C GLY A 23 4.689 -8.469 2.219 1.00 0.00 C ATOM 297 O GLY A 23 5.882 -8.436 2.520 1.00 0.00 O ATOM 0 H GLY A 23 1.893 -8.653 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.604 -9.109 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.193 -10.419 2.945 1.00 0.00 H new ATOM 301 N GLU A 24 4.156 -7.688 1.285 1.00 0.00 N ATOM 302 CA GLU A 24 4.962 -6.726 0.542 1.00 0.00 C ATOM 303 C GLU A 24 4.766 -5.315 1.088 1.00 0.00 C ATOM 304 O GLU A 24 4.039 -5.109 2.060 1.00 0.00 O ATOM 305 CB GLU A 24 4.602 -6.764 -0.944 1.00 0.00 C ATOM 306 CG GLU A 24 4.992 -8.062 -1.632 1.00 0.00 C ATOM 307 CD GLU A 24 6.465 -8.386 -1.475 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.280 -7.829 -2.239 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.803 -9.196 -0.586 1.00 0.00 O ATOM 0 H GLU A 24 3.170 -7.702 1.025 1.00 0.00 H new ATOM 0 HA GLU A 24 6.010 -7.001 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.528 -6.613 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.093 -5.933 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.398 -8.879 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.750 -7.994 -2.693 1.00 0.00 H new ATOM 316 N SER A 25 5.419 -4.346 0.456 1.00 0.00 N ATOM 317 CA SER A 25 5.320 -2.954 0.880 1.00 0.00 C ATOM 318 C SER A 25 4.415 -2.163 -0.059 1.00 0.00 C ATOM 319 O SER A 25 4.761 -1.920 -1.215 1.00 0.00 O ATOM 320 CB SER A 25 6.709 -2.313 0.928 1.00 0.00 C ATOM 321 OG SER A 25 7.203 -2.069 -0.378 1.00 0.00 O ATOM 0 H SER A 25 6.023 -4.499 -0.352 1.00 0.00 H new ATOM 0 HA SER A 25 4.884 -2.935 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.662 -1.376 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.397 -2.967 1.464 1.00 0.00 H new ATOM 0 HG SER A 25 6.505 -2.272 -1.035 1.00 0.00 H new ATOM 327 N ALA A 26 3.252 -1.764 0.447 1.00 0.00 N ATOM 328 CA ALA A 26 2.297 -0.999 -0.344 1.00 0.00 C ATOM 329 C ALA A 26 2.600 0.494 -0.278 1.00 0.00 C ATOM 330 O ALA A 26 2.543 1.104 0.790 1.00 0.00 O ATOM 331 CB ALA A 26 0.878 -1.273 0.132 1.00 0.00 C ATOM 0 H ALA A 26 2.949 -1.958 1.401 1.00 0.00 H new ATOM 0 HA ALA A 26 2.388 -1.316 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.175 -0.695 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.657 -2.335 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.784 -0.985 1.179 1.00 0.00 H new ATOM 337 N THR A 27 2.925 1.079 -1.427 1.00 0.00 N ATOM 338 CA THR A 27 3.239 2.501 -1.499 1.00 0.00 C ATOM 339 C THR A 27 2.064 3.296 -2.058 1.00 0.00 C ATOM 340 O THR A 27 1.732 3.185 -3.239 1.00 0.00 O ATOM 341 CB THR A 27 4.481 2.758 -2.374 1.00 0.00 C ATOM 342 OG1 THR A 27 5.558 1.911 -1.956 1.00 0.00 O ATOM 343 CG2 THR A 27 4.911 4.214 -2.287 1.00 0.00 C ATOM 0 H THR A 27 2.978 0.590 -2.320 1.00 0.00 H new ATOM 0 HA THR A 27 3.446 2.831 -0.481 1.00 0.00 H new ATOM 0 HB THR A 27 4.223 2.533 -3.409 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.886 2.206 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.789 4.372 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.099 4.854 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.153 4.461 -1.253 1.00 0.00 H new ATOM 351 N LEU A 28 1.439 4.098 -1.203 1.00 0.00 N ATOM 352 CA LEU A 28 0.301 4.913 -1.612 1.00 0.00 C ATOM 353 C LEU A 28 0.743 6.333 -1.953 1.00 0.00 C ATOM 354 O LEU A 28 0.964 7.155 -1.064 1.00 0.00 O ATOM 355 CB LEU A 28 -0.752 4.948 -0.502 1.00 0.00 C ATOM 356 CG LEU A 28 -1.140 3.595 0.096 1.00 0.00 C ATOM 357 CD1 LEU A 28 -2.073 3.785 1.282 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.790 2.712 -0.959 1.00 0.00 C ATOM 0 H LEU A 28 1.701 4.201 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.135 4.463 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.383 5.586 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.652 5.420 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.234 3.101 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.339 2.812 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.573 4.380 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.977 4.300 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.059 1.753 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.687 3.200 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.090 2.549 -1.778 1.00 0.00 H new ATOM 370 N ARG A 29 0.867 6.613 -3.246 1.00 0.00 N ATOM 371 CA ARG A 29 1.281 7.934 -3.705 1.00 0.00 C ATOM 372 C ARG A 29 0.234 8.986 -3.351 1.00 0.00 C ATOM 373 O ARG A 29 -0.948 8.831 -3.661 1.00 0.00 O ATOM 374 CB ARG A 29 1.515 7.921 -5.217 1.00 0.00 C ATOM 375 CG ARG A 29 2.941 7.568 -5.610 1.00 0.00 C ATOM 376 CD ARG A 29 3.208 6.079 -5.456 1.00 0.00 C ATOM 377 NE ARG A 29 4.326 5.635 -6.284 1.00 0.00 N ATOM 378 CZ ARG A 29 5.594 5.940 -6.032 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.903 6.686 -4.980 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.556 5.499 -6.832 1.00 0.00 N ATOM 0 H ARG A 29 0.687 5.944 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 29 2.213 8.190 -3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.833 7.205 -5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.268 8.902 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.119 7.866 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.640 8.130 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.420 5.855 -4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.312 5.520 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 29 4.122 5.059 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.166 7.027 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.877 6.919 -4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.322 4.925 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.529 5.734 -6.637 1.00 0.00 H new ATOM 394 N CYS A 30 0.675 10.056 -2.699 1.00 0.00 N ATOM 395 CA CYS A 30 -0.222 11.134 -2.300 1.00 0.00 C ATOM 396 C CYS A 30 0.536 12.452 -2.168 1.00 0.00 C ATOM 397 O CYS A 30 1.687 12.477 -1.734 1.00 0.00 O ATOM 398 CB CYS A 30 -0.908 10.791 -0.976 1.00 0.00 C ATOM 399 SG CYS A 30 -2.039 12.084 -0.369 1.00 0.00 S ATOM 0 H CYS A 30 1.650 10.200 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.980 11.248 -3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.466 9.863 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.144 10.607 -0.220 1.00 0.00 H new ATOM 404 N ALA A 31 -0.120 13.545 -2.545 1.00 0.00 N ATOM 405 CA ALA A 31 0.490 14.866 -2.466 1.00 0.00 C ATOM 406 C ALA A 31 -0.536 15.961 -2.735 1.00 0.00 C ATOM 407 O ALA A 31 -1.439 15.792 -3.554 1.00 0.00 O ATOM 408 CB ALA A 31 1.647 14.973 -3.449 1.00 0.00 C ATOM 0 H ALA A 31 -1.073 13.541 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 31 0.872 15.002 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.093 15.965 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.398 14.220 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.280 14.811 -4.462 1.00 0.00 H new ATOM 414 N MET A 32 -0.392 17.084 -2.038 1.00 0.00 N ATOM 415 CA MET A 32 -1.308 18.208 -2.203 1.00 0.00 C ATOM 416 C MET A 32 -0.726 19.248 -3.154 1.00 0.00 C ATOM 417 O MET A 32 0.492 19.374 -3.285 1.00 0.00 O ATOM 418 CB MET A 32 -1.608 18.851 -0.847 1.00 0.00 C ATOM 419 CG MET A 32 -1.944 17.845 0.242 1.00 0.00 C ATOM 420 SD MET A 32 -3.586 17.127 0.042 1.00 0.00 S ATOM 421 CE MET A 32 -3.254 15.409 0.423 1.00 0.00 C ATOM 0 H MET A 32 0.349 17.240 -1.355 1.00 0.00 H new ATOM 0 HA MET A 32 -2.236 17.829 -2.631 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.745 19.438 -0.534 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.442 19.544 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.200 17.048 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.881 18.334 1.214 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.132 14.964 0.892 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.021 14.871 -0.496 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.407 15.345 1.106 1.00 0.00 H new ATOM 431 N THR A 33 -1.605 19.993 -3.818 1.00 0.00 N ATOM 432 CA THR A 33 -1.178 21.021 -4.759 1.00 0.00 C ATOM 433 C THR A 33 -0.727 22.281 -4.029 1.00 0.00 C ATOM 434 O THR A 33 -0.313 23.258 -4.654 1.00 0.00 O ATOM 435 CB THR A 33 -2.308 21.387 -5.741 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.343 22.098 -5.053 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.886 20.139 -6.390 1.00 0.00 C ATOM 0 H THR A 33 -2.616 19.903 -3.721 1.00 0.00 H new ATOM 0 HA THR A 33 -0.339 20.609 -5.319 1.00 0.00 H new ATOM 0 HB THR A 33 -1.890 22.022 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.057 22.329 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.682 20.422 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.101 19.617 -6.937 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.290 19.482 -5.620 1.00 0.00 H new ATOM 445 N SER A 34 -0.808 22.252 -2.703 1.00 0.00 N ATOM 446 CA SER A 34 -0.410 23.394 -1.888 1.00 0.00 C ATOM 447 C SER A 34 -0.378 23.021 -0.409 1.00 0.00 C ATOM 448 O SER A 34 -0.708 21.895 -0.033 1.00 0.00 O ATOM 449 CB SER A 34 -1.369 24.565 -2.110 1.00 0.00 C ATOM 450 OG SER A 34 -0.729 25.803 -1.855 1.00 0.00 O ATOM 0 H SER A 34 -1.146 21.451 -2.170 1.00 0.00 H new ATOM 0 HA SER A 34 0.593 23.693 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.738 24.547 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.235 24.459 -1.457 1.00 0.00 H new ATOM 0 HG SER A 34 -1.362 26.536 -2.006 1.00 0.00 H new ATOM 456 N LEU A 35 0.020 23.973 0.427 1.00 0.00 N ATOM 457 CA LEU A 35 0.095 23.747 1.866 1.00 0.00 C ATOM 458 C LEU A 35 -1.050 24.449 2.588 1.00 0.00 C ATOM 459 O LEU A 35 -1.181 24.350 3.809 1.00 0.00 O ATOM 460 CB LEU A 35 1.436 24.241 2.411 1.00 0.00 C ATOM 461 CG LEU A 35 2.684 23.709 1.706 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.859 24.652 1.916 1.00 0.00 C ATOM 463 CD2 LEU A 35 3.024 22.312 2.206 1.00 0.00 C ATOM 0 H LEU A 35 0.296 24.910 0.133 1.00 0.00 H new ATOM 0 HA LEU A 35 0.010 22.675 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.449 25.330 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.497 23.974 3.466 1.00 0.00 H new ATOM 0 HG LEU A 35 2.477 23.651 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.738 24.257 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.615 25.634 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.067 24.742 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.915 21.949 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.211 22.345 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.190 21.640 2.004 1.00 0.00 H new ATOM 475 N ILE A 36 -1.878 25.156 1.827 1.00 0.00 N ATOM 476 CA ILE A 36 -3.015 25.871 2.394 1.00 0.00 C ATOM 477 C ILE A 36 -4.333 25.317 1.865 1.00 0.00 C ATOM 478 O ILE A 36 -4.484 25.035 0.676 1.00 0.00 O ATOM 479 CB ILE A 36 -2.943 27.378 2.083 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.653 27.976 2.647 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.158 28.094 2.653 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.371 27.568 4.076 1.00 0.00 C ATOM 0 H ILE A 36 -1.783 25.249 0.816 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.971 25.728 3.474 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.941 27.511 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.816 27.671 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.712 29.063 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.093 29.158 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.064 27.682 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.188 27.955 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.441 28.029 4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.189 27.897 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.279 26.483 4.133 1.00 0.00 H new ATOM 494 N PRO A 37 -5.312 25.157 2.767 1.00 0.00 N ATOM 495 CA PRO A 37 -5.144 25.488 4.186 1.00 0.00 C ATOM 496 C PRO A 37 -4.197 24.526 4.897 1.00 0.00 C ATOM 497 O PRO A 37 -4.190 23.327 4.618 1.00 0.00 O ATOM 498 CB PRO A 37 -6.560 25.360 4.751 1.00 0.00 C ATOM 499 CG PRO A 37 -7.248 24.405 3.837 1.00 0.00 C ATOM 500 CD PRO A 37 -6.659 24.640 2.473 1.00 0.00 C ATOM 0 HA PRO A 37 -4.703 26.475 4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.545 24.987 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.067 26.325 4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.090 23.375 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.324 24.576 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.618 23.720 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.248 25.356 1.899 1.00 0.00 H new ATOM 508 N VAL A 38 -3.401 25.060 5.817 1.00 0.00 N ATOM 509 CA VAL A 38 -2.452 24.248 6.570 1.00 0.00 C ATOM 510 C VAL A 38 -3.162 23.133 7.328 1.00 0.00 C ATOM 511 O VAL A 38 -4.323 23.270 7.712 1.00 0.00 O ATOM 512 CB VAL A 38 -1.650 25.104 7.569 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.500 25.441 8.785 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.375 24.385 7.982 1.00 0.00 C ATOM 0 H VAL A 38 -3.394 26.051 6.059 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.766 23.810 5.845 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.371 26.038 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.917 26.046 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.382 25.999 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.811 24.520 9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.179 25.004 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.629 23.436 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.240 24.200 7.101 1.00 0.00 H new ATOM 524 N GLY A 39 -2.456 22.026 7.541 1.00 0.00 N ATOM 525 CA GLY A 39 -3.036 20.902 8.253 1.00 0.00 C ATOM 526 C GLY A 39 -2.255 19.620 8.045 1.00 0.00 C ATOM 527 O GLY A 39 -1.573 19.439 7.036 1.00 0.00 O ATOM 0 H GLY A 39 -1.493 21.888 7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.075 21.131 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.064 20.756 7.920 1.00 0.00 H new ATOM 531 N PRO A 40 -2.348 18.701 9.018 1.00 0.00 N ATOM 532 CA PRO A 40 -1.650 17.413 8.961 1.00 0.00 C ATOM 533 C PRO A 40 -2.229 16.487 7.897 1.00 0.00 C ATOM 534 O PRO A 40 -2.963 16.927 7.011 1.00 0.00 O ATOM 535 CB PRO A 40 -1.871 16.828 10.358 1.00 0.00 C ATOM 536 CG PRO A 40 -3.126 17.468 10.842 1.00 0.00 C ATOM 537 CD PRO A 40 -3.142 18.850 10.249 1.00 0.00 C ATOM 0 HA PRO A 40 -0.600 17.530 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.968 15.743 10.322 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.033 17.051 11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.001 16.898 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.148 17.510 11.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.157 19.184 10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.702 19.583 10.925 1.00 0.00 H new ATOM 545 N ILE A 41 -1.895 15.205 7.990 1.00 0.00 N ATOM 546 CA ILE A 41 -2.384 14.217 7.036 1.00 0.00 C ATOM 547 C ILE A 41 -2.852 12.951 7.746 1.00 0.00 C ATOM 548 O ILE A 41 -2.213 12.484 8.689 1.00 0.00 O ATOM 549 CB ILE A 41 -1.301 13.845 6.007 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.836 15.090 5.250 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.828 12.796 5.039 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.901 15.688 4.358 1.00 0.00 C ATOM 0 H ILE A 41 -1.288 14.826 8.716 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.227 14.671 6.516 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.446 13.425 6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.511 15.842 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.032 14.833 4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.051 12.543 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.114 11.902 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.697 13.191 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.501 16.567 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.209 14.952 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.761 15.977 4.962 1.00 0.00 H new ATOM 564 N MET A 42 -3.969 12.399 7.286 1.00 0.00 N ATOM 565 CA MET A 42 -4.521 11.185 7.875 1.00 0.00 C ATOM 566 C MET A 42 -5.080 10.262 6.796 1.00 0.00 C ATOM 567 O MET A 42 -5.897 10.677 5.975 1.00 0.00 O ATOM 568 CB MET A 42 -5.618 11.534 8.882 1.00 0.00 C ATOM 569 CG MET A 42 -5.119 12.344 10.068 1.00 0.00 C ATOM 570 SD MET A 42 -6.441 12.788 11.211 1.00 0.00 S ATOM 571 CE MET A 42 -5.703 14.184 12.056 1.00 0.00 C ATOM 0 H MET A 42 -4.510 12.773 6.507 1.00 0.00 H new ATOM 0 HA MET A 42 -3.715 10.664 8.392 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.402 12.095 8.373 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.071 10.612 9.247 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.360 11.771 10.601 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.637 13.252 9.706 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.858 14.083 13.130 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.634 14.214 11.845 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.167 15.107 11.708 1.00 0.00 H new ATOM 581 N TRP A 43 -4.634 9.011 6.805 1.00 0.00 N ATOM 582 CA TRP A 43 -5.089 8.031 5.827 1.00 0.00 C ATOM 583 C TRP A 43 -6.250 7.210 6.379 1.00 0.00 C ATOM 584 O TRP A 43 -6.311 6.932 7.577 1.00 0.00 O ATOM 585 CB TRP A 43 -3.939 7.106 5.427 1.00 0.00 C ATOM 586 CG TRP A 43 -3.010 7.714 4.420 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.889 8.450 4.678 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.125 7.641 2.994 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.300 8.838 3.499 1.00 0.00 N ATOM 590 CE2 TRP A 43 -2.038 8.354 2.452 1.00 0.00 C ATOM 591 CE3 TRP A 43 -4.038 7.040 2.124 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.843 8.482 1.079 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.843 7.169 0.762 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.752 7.884 0.250 1.00 0.00 C ATOM 0 H TRP A 43 -3.958 8.652 7.479 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.436 8.569 4.945 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.372 6.837 6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.350 6.182 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.520 8.692 5.664 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.450 9.396 3.417 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.881 6.485 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.004 9.034 0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.544 6.711 0.080 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.626 7.964 -0.820 1.00 0.00 H new ATOM 605 N PHE A 44 -7.167 6.823 5.499 1.00 0.00 N ATOM 606 CA PHE A 44 -8.326 6.034 5.899 1.00 0.00 C ATOM 607 C PHE A 44 -8.792 5.135 4.758 1.00 0.00 C ATOM 608 O PHE A 44 -9.121 5.612 3.672 1.00 0.00 O ATOM 609 CB PHE A 44 -9.468 6.953 6.338 1.00 0.00 C ATOM 610 CG PHE A 44 -9.145 7.771 7.555 1.00 0.00 C ATOM 611 CD1 PHE A 44 -9.394 7.276 8.825 1.00 0.00 C ATOM 612 CD2 PHE A 44 -8.594 9.036 7.429 1.00 0.00 C ATOM 613 CE1 PHE A 44 -9.097 8.027 9.947 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.295 9.791 8.548 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.548 9.286 9.808 1.00 0.00 C ATOM 0 H PHE A 44 -7.130 7.043 4.504 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.033 5.403 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.721 7.623 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.352 6.349 6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.825 6.292 8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.396 9.437 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.294 7.629 10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.864 10.775 8.437 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.317 9.875 10.683 1.00 0.00 H new ATOM 625 N ARG A 45 -8.816 3.830 5.013 1.00 0.00 N ATOM 626 CA ARG A 45 -9.239 2.863 4.008 1.00 0.00 C ATOM 627 C ARG A 45 -10.668 2.397 4.269 1.00 0.00 C ATOM 628 O ARG A 45 -10.937 1.705 5.251 1.00 0.00 O ATOM 629 CB ARG A 45 -8.293 1.661 3.996 1.00 0.00 C ATOM 630 CG ARG A 45 -8.582 0.670 2.880 1.00 0.00 C ATOM 631 CD ARG A 45 -8.201 -0.747 3.281 1.00 0.00 C ATOM 632 NE ARG A 45 -8.635 -1.066 4.639 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.898 -1.316 4.967 1.00 0.00 C ATOM 634 NH1 ARG A 45 -10.846 -1.283 4.041 1.00 0.00 N ATOM 635 NH2 ARG A 45 -10.214 -1.599 6.224 1.00 0.00 N ATOM 0 H ARG A 45 -8.547 3.419 5.907 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.207 3.351 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.268 2.017 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.361 1.146 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.641 0.705 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.030 0.957 1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.648 -1.454 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.120 -0.866 3.208 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.930 -1.099 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.607 -1.065 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.815 -1.475 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.487 -1.625 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.184 -1.791 6.475 1.00 0.00 H new ATOM 649 N GLY A 46 -11.583 2.782 3.384 1.00 0.00 N ATOM 650 CA GLY A 46 -12.973 2.395 3.537 1.00 0.00 C ATOM 651 C GLY A 46 -13.873 3.576 3.840 1.00 0.00 C ATOM 652 O GLY A 46 -14.831 3.455 4.604 1.00 0.00 O ATOM 0 H GLY A 46 -11.386 3.355 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.314 1.907 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.057 1.663 4.340 1.00 0.00 H new ATOM 656 N ALA A 47 -13.566 4.721 3.241 1.00 0.00 N ATOM 657 CA ALA A 47 -14.355 5.929 3.450 1.00 0.00 C ATOM 658 C ALA A 47 -15.847 5.614 3.468 1.00 0.00 C ATOM 659 O ALA A 47 -16.306 4.699 2.785 1.00 0.00 O ATOM 660 CB ALA A 47 -14.043 6.956 2.372 1.00 0.00 C ATOM 0 H ALA A 47 -12.776 4.838 2.607 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.087 6.345 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.639 7.853 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.984 7.212 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.282 6.540 1.393 1.00 0.00 H new ATOM 690 N ARG A 51 -14.497 3.406 7.342 1.00 0.00 N ATOM 691 CA ARG A 51 -13.063 3.470 7.088 1.00 0.00 C ATOM 692 C ARG A 51 -12.273 3.059 8.328 1.00 0.00 C ATOM 693 O ARG A 51 -12.827 2.952 9.421 1.00 0.00 O ATOM 694 CB ARG A 51 -12.662 4.882 6.659 1.00 0.00 C ATOM 695 CG ARG A 51 -12.750 5.907 7.779 1.00 0.00 C ATOM 696 CD ARG A 51 -14.124 6.555 7.834 1.00 0.00 C ATOM 697 NE ARG A 51 -14.075 7.896 8.410 1.00 0.00 N ATOM 698 CZ ARG A 51 -15.142 8.538 8.870 1.00 0.00 C ATOM 699 NH1 ARG A 51 -16.337 7.964 8.823 1.00 0.00 N ATOM 700 NH2 ARG A 51 -15.017 9.757 9.380 1.00 0.00 N ATOM 0 HA ARG A 51 -12.830 2.774 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.641 4.860 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.304 5.199 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.535 5.425 8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.990 6.675 7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.540 6.608 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.795 5.931 8.424 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.171 8.365 8.462 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.438 7.027 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.155 8.460 9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.100 10.202 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.838 10.249 9.733 1.00 0.00 H new ATOM 714 N GLU A 52 -10.975 2.831 8.148 1.00 0.00 N ATOM 715 CA GLU A 52 -10.111 2.431 9.251 1.00 0.00 C ATOM 716 C GLU A 52 -8.793 3.201 9.217 1.00 0.00 C ATOM 717 O GLU A 52 -7.932 2.943 8.375 1.00 0.00 O ATOM 718 CB GLU A 52 -9.836 0.927 9.194 1.00 0.00 C ATOM 719 CG GLU A 52 -8.917 0.433 10.299 1.00 0.00 C ATOM 720 CD GLU A 52 -8.948 -1.075 10.453 1.00 0.00 C ATOM 721 OE1 GLU A 52 -10.040 -1.624 10.704 1.00 0.00 O ATOM 722 OE2 GLU A 52 -7.878 -1.705 10.322 1.00 0.00 O ATOM 0 H GLU A 52 -10.500 2.917 7.249 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.625 2.664 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.783 0.391 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.392 0.684 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.896 0.752 10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.207 0.897 11.242 1.00 0.00 H new ATOM 729 N LEU A 53 -8.645 4.148 10.137 1.00 0.00 N ATOM 730 CA LEU A 53 -7.433 4.957 10.213 1.00 0.00 C ATOM 731 C LEU A 53 -6.203 4.132 9.850 1.00 0.00 C ATOM 732 O LEU A 53 -5.856 3.178 10.547 1.00 0.00 O ATOM 733 CB LEU A 53 -7.274 5.541 11.617 1.00 0.00 C ATOM 734 CG LEU A 53 -6.055 6.439 11.837 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.138 7.676 10.956 1.00 0.00 C ATOM 736 CD2 LEU A 53 -5.940 6.832 13.302 1.00 0.00 C ATOM 0 H LEU A 53 -9.348 4.375 10.840 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.524 5.772 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.170 6.115 11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.226 4.717 12.328 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.161 5.880 11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.263 8.303 11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.171 7.375 9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.040 8.237 11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.067 7.471 13.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.837 7.372 13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.833 5.935 13.912 1.00 0.00 H new ATOM 748 N ILE A 54 -5.548 4.505 8.756 1.00 0.00 N ATOM 749 CA ILE A 54 -4.355 3.801 8.303 1.00 0.00 C ATOM 750 C ILE A 54 -3.089 4.468 8.830 1.00 0.00 C ATOM 751 O ILE A 54 -2.139 3.794 9.227 1.00 0.00 O ATOM 752 CB ILE A 54 -4.287 3.740 6.765 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.552 3.088 6.203 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.048 2.977 6.320 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.667 1.615 6.527 1.00 0.00 C ATOM 0 H ILE A 54 -5.823 5.291 8.167 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.419 2.787 8.697 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.222 4.757 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.425 3.608 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.567 3.216 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.014 2.942 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.157 3.480 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.085 1.962 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.587 1.219 6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.813 1.083 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.684 1.481 7.609 1.00 0.00 H new ATOM 767 N TYR A 55 -3.085 5.796 8.834 1.00 0.00 N ATOM 768 CA TYR A 55 -1.936 6.556 9.312 1.00 0.00 C ATOM 769 C TYR A 55 -2.366 7.922 9.837 1.00 0.00 C ATOM 770 O TYR A 55 -3.338 8.505 9.358 1.00 0.00 O ATOM 771 CB TYR A 55 -0.909 6.728 8.192 1.00 0.00 C ATOM 772 CG TYR A 55 0.341 7.461 8.623 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.314 6.827 9.385 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.548 8.789 8.269 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.457 7.494 9.782 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.688 9.463 8.660 1.00 0.00 C ATOM 777 CZ TYR A 55 2.640 8.811 9.416 1.00 0.00 C ATOM 778 OH TYR A 55 3.777 9.480 9.809 1.00 0.00 O ATOM 0 H TYR A 55 -3.865 6.369 8.512 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.480 5.999 10.131 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.631 5.745 7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.371 7.270 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.175 5.795 9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.196 9.303 7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.203 6.987 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.833 10.495 8.376 1.00 0.00 H new ATOM 0 HH TYR A 55 3.751 10.398 9.467 1.00 0.00 H new ATOM 788 N ASN A 56 -1.634 8.427 10.825 1.00 0.00 N ATOM 789 CA ASN A 56 -1.938 9.725 11.416 1.00 0.00 C ATOM 790 C ASN A 56 -0.661 10.519 11.672 1.00 0.00 C ATOM 791 O ASN A 56 0.170 10.128 12.491 1.00 0.00 O ATOM 792 CB ASN A 56 -2.711 9.544 12.724 1.00 0.00 C ATOM 793 CG ASN A 56 -3.615 10.722 13.029 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.782 10.549 13.382 1.00 0.00 O ATOM 795 ND2 ASN A 56 -3.080 11.930 12.893 1.00 0.00 N ATOM 0 H ASN A 56 -0.826 7.957 11.233 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.555 10.282 10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.310 8.635 12.666 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.006 9.409 13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.641 12.760 13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.108 12.027 12.598 1.00 0.00 H new ATOM 802 N GLN A 57 -0.513 11.635 10.966 1.00 0.00 N ATOM 803 CA GLN A 57 0.663 12.484 11.117 1.00 0.00 C ATOM 804 C GLN A 57 0.668 13.168 12.480 1.00 0.00 C ATOM 805 O GLN A 57 1.663 13.125 13.205 1.00 0.00 O ATOM 806 CB GLN A 57 0.706 13.535 10.006 1.00 0.00 C ATOM 807 CG GLN A 57 2.072 14.176 9.827 1.00 0.00 C ATOM 808 CD GLN A 57 1.986 15.602 9.322 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.067 16.343 9.673 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.946 15.996 8.493 1.00 0.00 N ATOM 0 H GLN A 57 -1.192 11.972 10.284 1.00 0.00 H new ATOM 0 HA GLN A 57 1.548 11.852 11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.406 13.071 9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.025 14.313 10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.603 14.163 10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.659 13.582 9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.689 15.349 8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.941 16.946 8.121 1.00 0.00 H new ATOM 819 N LYS A 58 -0.448 13.801 12.824 1.00 0.00 N ATOM 820 CA LYS A 58 -0.574 14.494 14.100 1.00 0.00 C ATOM 821 C LYS A 58 0.132 13.722 15.211 1.00 0.00 C ATOM 822 O LYS A 58 1.016 14.253 15.882 1.00 0.00 O ATOM 823 CB LYS A 58 -2.049 14.687 14.457 1.00 0.00 C ATOM 824 CG LYS A 58 -2.272 15.202 15.869 1.00 0.00 C ATOM 825 CD LYS A 58 -2.228 16.719 15.922 1.00 0.00 C ATOM 826 CE LYS A 58 -0.816 17.228 16.174 1.00 0.00 C ATOM 827 NZ LYS A 58 -0.629 18.616 15.669 1.00 0.00 N ATOM 0 H LYS A 58 -1.280 13.848 12.235 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.100 15.471 14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.497 15.385 13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.570 13.737 14.340 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.236 14.852 16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.510 14.792 16.532 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.601 17.128 14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.891 17.076 16.710 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.605 17.199 17.243 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.099 16.565 15.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.345 18.926 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.806 18.639 14.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.296 19.253 16.150 1.00 0.00 H new ATOM 841 N GLU A 59 -0.264 12.467 15.396 1.00 0.00 N ATOM 842 CA GLU A 59 0.332 11.623 16.425 1.00 0.00 C ATOM 843 C GLU A 59 0.041 10.149 16.155 1.00 0.00 C ATOM 844 O GLU A 59 -0.832 9.813 15.356 1.00 0.00 O ATOM 845 CB GLU A 59 -0.197 12.013 17.807 1.00 0.00 C ATOM 846 CG GLU A 59 -1.714 12.015 17.900 1.00 0.00 C ATOM 847 CD GLU A 59 -2.211 12.191 19.321 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.862 13.211 19.951 1.00 0.00 O ATOM 849 OE2 GLU A 59 -2.950 11.307 19.804 1.00 0.00 O ATOM 0 H GLU A 59 -0.994 12.012 14.848 1.00 0.00 H new ATOM 0 HA GLU A 59 1.411 11.774 16.402 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.203 11.321 18.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.176 13.005 18.063 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.111 12.817 17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.100 11.079 17.497 1.00 0.00 H new ATOM 856 N GLY A 60 0.781 9.273 16.829 1.00 0.00 N ATOM 857 CA GLY A 60 0.589 7.846 16.648 1.00 0.00 C ATOM 858 C GLY A 60 1.755 7.190 15.935 1.00 0.00 C ATOM 859 O GLY A 60 1.926 7.355 14.726 1.00 0.00 O ATOM 0 H GLY A 60 1.509 9.526 17.497 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.451 7.375 17.621 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.324 7.675 16.078 1.00 0.00 H new ATOM 863 N HIS A 61 2.561 6.444 16.684 1.00 0.00 N ATOM 864 CA HIS A 61 3.718 5.761 16.115 1.00 0.00 C ATOM 865 C HIS A 61 3.316 4.415 15.519 1.00 0.00 C ATOM 866 O HIS A 61 2.799 3.544 16.219 1.00 0.00 O ATOM 867 CB HIS A 61 4.792 5.558 17.184 1.00 0.00 C ATOM 868 CG HIS A 61 6.025 4.879 16.672 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.014 3.618 16.114 1.00 0.00 N ATOM 870 CD2 HIS A 61 7.313 5.294 16.635 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.242 3.286 15.757 1.00 0.00 C ATOM 872 NE2 HIS A 61 8.049 4.286 16.062 1.00 0.00 N ATOM 0 H HIS A 61 2.435 6.297 17.685 1.00 0.00 H new ATOM 0 HA HIS A 61 4.122 6.385 15.318 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.067 6.527 17.600 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.374 4.968 18.000 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.691 6.241 16.990 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.536 2.355 15.295 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.056 4.306 15.899 1.00 0.00 H new ATOM 881 N PHE A 62 3.556 4.252 14.223 1.00 0.00 N ATOM 882 CA PHE A 62 3.218 3.013 13.532 1.00 0.00 C ATOM 883 C PHE A 62 4.414 2.484 12.747 1.00 0.00 C ATOM 884 O PHE A 62 4.951 3.150 11.862 1.00 0.00 O ATOM 885 CB PHE A 62 2.033 3.237 12.589 1.00 0.00 C ATOM 886 CG PHE A 62 0.919 4.034 13.206 1.00 0.00 C ATOM 887 CD1 PHE A 62 -0.074 3.407 13.941 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.865 5.410 13.051 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.101 4.138 14.508 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.159 6.146 13.616 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.143 5.509 14.347 1.00 0.00 C ATOM 0 H PHE A 62 3.984 4.963 13.629 1.00 0.00 H new ATOM 0 HA PHE A 62 2.942 2.272 14.282 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.383 3.750 11.693 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.644 2.270 12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.045 2.335 14.072 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.633 5.913 12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.870 3.637 15.077 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.190 7.218 13.486 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.943 6.082 14.792 1.00 0.00 H new ATOM 901 N PRO A 63 4.842 1.257 13.078 1.00 0.00 N ATOM 902 CA PRO A 63 5.979 0.610 12.416 1.00 0.00 C ATOM 903 C PRO A 63 5.666 0.219 10.976 1.00 0.00 C ATOM 904 O PRO A 63 6.490 0.403 10.080 1.00 0.00 O ATOM 905 CB PRO A 63 6.222 -0.638 13.268 1.00 0.00 C ATOM 906 CG PRO A 63 4.904 -0.929 13.899 1.00 0.00 C ATOM 907 CD PRO A 63 4.249 0.406 14.123 1.00 0.00 C ATOM 0 HA PRO A 63 6.842 1.272 12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.562 -1.474 12.657 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.990 -0.460 14.020 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.293 -1.560 13.254 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.031 -1.464 14.840 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.165 0.344 14.023 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.456 0.792 15.121 1.00 0.00 H new ATOM 915 N ARG A 64 4.471 -0.321 10.760 1.00 0.00 N ATOM 916 CA ARG A 64 4.050 -0.738 9.429 1.00 0.00 C ATOM 917 C ARG A 64 4.163 0.415 8.436 1.00 0.00 C ATOM 918 O ARG A 64 4.559 0.223 7.287 1.00 0.00 O ATOM 919 CB ARG A 64 2.611 -1.256 9.464 1.00 0.00 C ATOM 920 CG ARG A 64 2.374 -2.325 10.519 1.00 0.00 C ATOM 921 CD ARG A 64 2.641 -3.718 9.970 1.00 0.00 C ATOM 922 NE ARG A 64 2.040 -3.911 8.653 1.00 0.00 N ATOM 923 CZ ARG A 64 0.780 -4.289 8.468 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.008 -4.512 9.511 1.00 0.00 N ATOM 925 NH2 ARG A 64 0.306 -4.444 7.239 1.00 0.00 N ATOM 0 H ARG A 64 3.777 -0.480 11.491 1.00 0.00 H new ATOM 0 HA ARG A 64 4.710 -1.542 9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.937 -0.419 9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.356 -1.661 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.021 -2.141 11.377 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.346 -2.264 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.717 -3.882 9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.246 -4.462 10.661 1.00 0.00 H new ATOM 0 HE ARG A 64 2.620 -3.747 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.353 -4.393 10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.975 -4.802 9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.909 -4.273 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.662 -4.734 7.098 1.00 0.00 H new ATOM 939 N VAL A 65 3.811 1.615 8.889 1.00 0.00 N ATOM 940 CA VAL A 65 3.872 2.800 8.041 1.00 0.00 C ATOM 941 C VAL A 65 5.256 3.438 8.089 1.00 0.00 C ATOM 942 O VAL A 65 5.900 3.474 9.138 1.00 0.00 O ATOM 943 CB VAL A 65 2.822 3.845 8.461 1.00 0.00 C ATOM 944 CG1 VAL A 65 2.760 4.977 7.447 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.458 3.192 8.628 1.00 0.00 C ATOM 0 H VAL A 65 3.481 1.792 9.838 1.00 0.00 H new ATOM 0 HA VAL A 65 3.661 2.473 7.023 1.00 0.00 H new ATOM 0 HB VAL A 65 3.118 4.266 9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.013 5.706 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.734 5.461 7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.489 4.576 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.728 3.945 8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.152 2.742 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.516 2.420 9.395 1.00 0.00 H new ATOM 955 N THR A 66 5.709 3.943 6.946 1.00 0.00 N ATOM 956 CA THR A 66 7.017 4.580 6.856 1.00 0.00 C ATOM 957 C THR A 66 6.987 5.764 5.897 1.00 0.00 C ATOM 958 O THR A 66 6.710 5.606 4.707 1.00 0.00 O ATOM 959 CB THR A 66 8.096 3.584 6.392 1.00 0.00 C ATOM 960 OG1 THR A 66 8.262 2.551 7.369 1.00 0.00 O ATOM 961 CG2 THR A 66 9.423 4.292 6.164 1.00 0.00 C ATOM 0 H THR A 66 5.189 3.923 6.069 1.00 0.00 H new ATOM 0 HA THR A 66 7.266 4.933 7.857 1.00 0.00 H new ATOM 0 HB THR A 66 7.771 3.143 5.450 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.949 1.921 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.170 3.569 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.300 5.058 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.751 4.757 7.093 1.00 0.00 H new ATOM 969 N THR A 67 7.275 6.952 6.420 1.00 0.00 N ATOM 970 CA THR A 67 7.281 8.163 5.610 1.00 0.00 C ATOM 971 C THR A 67 8.355 8.097 4.530 1.00 0.00 C ATOM 972 O THR A 67 9.549 8.068 4.829 1.00 0.00 O ATOM 973 CB THR A 67 7.514 9.416 6.474 1.00 0.00 C ATOM 974 OG1 THR A 67 8.764 9.309 7.165 1.00 0.00 O ATOM 975 CG2 THR A 67 6.387 9.598 7.479 1.00 0.00 C ATOM 0 H THR A 67 7.507 7.101 7.402 1.00 0.00 H new ATOM 0 HA THR A 67 6.300 8.233 5.139 1.00 0.00 H new ATOM 0 HB THR A 67 7.536 10.285 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.434 8.913 6.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.574 10.489 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.441 9.709 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.337 8.726 8.132 1.00 0.00 H new ATOM 983 N VAL A 68 7.924 8.074 3.273 1.00 0.00 N ATOM 984 CA VAL A 68 8.849 8.014 2.148 1.00 0.00 C ATOM 985 C VAL A 68 9.640 9.311 2.017 1.00 0.00 C ATOM 986 O VAL A 68 10.847 9.292 1.773 1.00 0.00 O ATOM 987 CB VAL A 68 8.108 7.741 0.826 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.068 7.825 -0.352 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.423 6.384 0.870 1.00 0.00 C ATOM 0 H VAL A 68 6.939 8.096 3.008 1.00 0.00 H new ATOM 0 HA VAL A 68 9.536 7.192 2.347 1.00 0.00 H new ATOM 0 HB VAL A 68 7.342 8.505 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.526 7.629 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.508 8.822 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.858 7.084 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.904 6.208 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.169 5.605 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.704 6.366 1.689 1.00 0.00 H new ATOM 999 N SER A 69 8.952 10.436 2.180 1.00 0.00 N ATOM 1000 CA SER A 69 9.589 11.744 2.076 1.00 0.00 C ATOM 1001 C SER A 69 9.600 12.451 3.428 1.00 0.00 C ATOM 1002 O SER A 69 8.857 12.085 4.337 1.00 0.00 O ATOM 1003 CB SER A 69 8.865 12.607 1.041 1.00 0.00 C ATOM 1004 OG SER A 69 9.761 13.504 0.408 1.00 0.00 O ATOM 0 H SER A 69 7.953 10.468 2.385 1.00 0.00 H new ATOM 0 HA SER A 69 10.620 11.595 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.397 11.967 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.066 13.168 1.526 1.00 0.00 H new ATOM 0 HG SER A 69 9.260 14.105 -0.183 1.00 0.00 H new ATOM 1010 N GLU A 70 10.449 13.467 3.550 1.00 0.00 N ATOM 1011 CA GLU A 70 10.558 14.226 4.791 1.00 0.00 C ATOM 1012 C GLU A 70 9.418 15.233 4.914 1.00 0.00 C ATOM 1013 O GLU A 70 8.970 15.806 3.920 1.00 0.00 O ATOM 1014 CB GLU A 70 11.903 14.951 4.854 1.00 0.00 C ATOM 1015 CG GLU A 70 12.355 15.272 6.269 1.00 0.00 C ATOM 1016 CD GLU A 70 12.349 14.055 7.174 1.00 0.00 C ATOM 1017 OE1 GLU A 70 12.823 12.987 6.735 1.00 0.00 O ATOM 1018 OE2 GLU A 70 11.870 14.172 8.321 1.00 0.00 O ATOM 0 H GLU A 70 11.071 13.783 2.806 1.00 0.00 H new ATOM 0 HA GLU A 70 10.492 13.525 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.661 14.335 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.834 15.878 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.360 15.693 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.702 16.037 6.690 1.00 0.00 H new ATOM 1025 N LEU A 71 8.952 15.443 6.140 1.00 0.00 N ATOM 1026 CA LEU A 71 7.864 16.380 6.395 1.00 0.00 C ATOM 1027 C LEU A 71 8.337 17.541 7.265 1.00 0.00 C ATOM 1028 O LEU A 71 7.965 18.693 7.039 1.00 0.00 O ATOM 1029 CB LEU A 71 6.695 15.663 7.073 1.00 0.00 C ATOM 1030 CG LEU A 71 6.357 14.273 6.534 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.407 13.551 7.478 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.754 14.373 5.141 1.00 0.00 C ATOM 0 H LEU A 71 9.311 14.977 6.973 1.00 0.00 H new ATOM 0 HA LEU A 71 7.531 16.780 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.917 15.574 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.809 16.291 6.984 1.00 0.00 H new ATOM 0 HG LEU A 71 7.279 13.696 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.178 12.563 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.876 13.446 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.486 14.125 7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.520 13.374 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.842 14.968 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.468 14.849 4.469 1.00 0.00 H new ATOM 1118 N ASN A 76 6.817 21.134 1.854 1.00 0.00 N ATOM 1119 CA ASN A 76 6.701 19.719 1.521 1.00 0.00 C ATOM 1120 C ASN A 76 5.247 19.341 1.251 1.00 0.00 C ATOM 1121 O ASN A 76 4.336 19.805 1.938 1.00 0.00 O ATOM 1122 CB ASN A 76 7.260 18.858 2.656 1.00 0.00 C ATOM 1123 CG ASN A 76 7.604 17.453 2.200 1.00 0.00 C ATOM 1124 OD1 ASN A 76 8.573 17.245 1.470 1.00 0.00 O ATOM 1125 ND2 ASN A 76 6.809 16.481 2.631 1.00 0.00 N ATOM 0 HA ASN A 76 7.280 19.536 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.152 19.333 3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.529 18.806 3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.990 15.515 2.358 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.017 16.700 3.235 1.00 0.00 H new ATOM 1132 N LEU A 77 5.038 18.497 0.246 1.00 0.00 N ATOM 1133 CA LEU A 77 3.695 18.056 -0.115 1.00 0.00 C ATOM 1134 C LEU A 77 3.634 16.537 -0.234 1.00 0.00 C ATOM 1135 O LEU A 77 2.599 15.925 0.029 1.00 0.00 O ATOM 1136 CB LEU A 77 3.263 18.700 -1.434 1.00 0.00 C ATOM 1137 CG LEU A 77 3.251 20.229 -1.462 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.335 20.737 -2.893 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.003 20.765 -0.776 1.00 0.00 C ATOM 0 H LEU A 77 5.781 18.105 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 77 3.012 18.368 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.928 18.347 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.262 18.344 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 77 4.124 20.590 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.325 21.827 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.258 20.382 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.482 20.366 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.011 21.855 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.117 20.395 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.986 20.430 0.261 1.00 0.00 H new ATOM 1151 N ASP A 78 4.751 15.935 -0.628 1.00 0.00 N ATOM 1152 CA ASP A 78 4.826 14.486 -0.778 1.00 0.00 C ATOM 1153 C ASP A 78 4.450 13.785 0.524 1.00 0.00 C ATOM 1154 O ASP A 78 5.248 13.719 1.459 1.00 0.00 O ATOM 1155 CB ASP A 78 6.233 14.069 -1.208 1.00 0.00 C ATOM 1156 CG ASP A 78 6.945 15.155 -1.990 1.00 0.00 C ATOM 1157 OD1 ASP A 78 6.413 15.578 -3.037 1.00 0.00 O ATOM 1158 OD2 ASP A 78 8.036 15.582 -1.554 1.00 0.00 O ATOM 0 H ASP A 78 5.616 16.427 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 78 4.115 14.188 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.820 13.817 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.171 13.167 -1.818 1.00 0.00 H new ATOM 1163 N PHE A 79 3.229 13.262 0.577 1.00 0.00 N ATOM 1164 CA PHE A 79 2.746 12.568 1.765 1.00 0.00 C ATOM 1165 C PHE A 79 2.505 11.090 1.470 1.00 0.00 C ATOM 1166 O PHE A 79 1.569 10.487 1.995 1.00 0.00 O ATOM 1167 CB PHE A 79 1.456 13.216 2.272 1.00 0.00 C ATOM 1168 CG PHE A 79 1.660 14.590 2.844 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.293 14.759 4.065 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.221 15.712 2.160 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.481 16.022 4.594 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.406 16.977 2.684 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.039 17.132 3.902 1.00 0.00 C ATOM 0 H PHE A 79 2.557 13.306 -0.189 1.00 0.00 H new ATOM 0 HA PHE A 79 3.511 12.647 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.742 13.275 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.013 12.576 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.643 13.894 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.728 15.596 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.973 16.141 5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.056 17.843 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.188 18.120 4.312 1.00 0.00 H new ATOM 1183 N SER A 80 3.355 10.514 0.627 1.00 0.00 N ATOM 1184 CA SER A 80 3.232 9.109 0.258 1.00 0.00 C ATOM 1185 C SER A 80 3.766 8.207 1.367 1.00 0.00 C ATOM 1186 O SER A 80 4.861 8.427 1.887 1.00 0.00 O ATOM 1187 CB SER A 80 3.985 8.834 -1.045 1.00 0.00 C ATOM 1188 OG SER A 80 4.224 7.447 -1.214 1.00 0.00 O ATOM 0 H SER A 80 4.137 10.999 0.186 1.00 0.00 H new ATOM 0 HA SER A 80 2.175 8.889 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.408 9.212 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.933 9.372 -1.041 1.00 0.00 H new ATOM 0 HG SER A 80 4.705 7.298 -2.055 1.00 0.00 H new ATOM 1194 N ILE A 81 2.986 7.193 1.724 1.00 0.00 N ATOM 1195 CA ILE A 81 3.380 6.258 2.770 1.00 0.00 C ATOM 1196 C ILE A 81 3.600 4.860 2.202 1.00 0.00 C ATOM 1197 O ILE A 81 3.007 4.489 1.189 1.00 0.00 O ATOM 1198 CB ILE A 81 2.323 6.185 3.887 1.00 0.00 C ATOM 1199 CG1 ILE A 81 0.925 6.021 3.287 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.387 7.430 4.760 1.00 0.00 C ATOM 1201 CD1 ILE A 81 -0.051 5.323 4.209 1.00 0.00 C ATOM 0 H ILE A 81 2.077 6.998 1.304 1.00 0.00 H new ATOM 0 HA ILE A 81 4.315 6.629 3.190 1.00 0.00 H new ATOM 0 HB ILE A 81 2.535 5.316 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.531 7.004 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.001 5.457 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.634 7.363 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.376 7.507 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.197 8.313 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.021 5.242 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.321 4.326 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.157 5.898 5.129 1.00 0.00 H new ATOM 1213 N SER A 82 4.456 4.087 2.863 1.00 0.00 N ATOM 1214 CA SER A 82 4.757 2.729 2.424 1.00 0.00 C ATOM 1215 C SER A 82 4.513 1.728 3.549 1.00 0.00 C ATOM 1216 O SER A 82 5.341 1.575 4.448 1.00 0.00 O ATOM 1217 CB SER A 82 6.207 2.635 1.947 1.00 0.00 C ATOM 1218 OG SER A 82 6.314 2.961 0.572 1.00 0.00 O ATOM 0 H SER A 82 4.953 4.378 3.705 1.00 0.00 H new ATOM 0 HA SER A 82 4.093 2.485 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.830 3.310 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.584 1.626 2.115 1.00 0.00 H new ATOM 0 HG SER A 82 7.251 2.895 0.292 1.00 0.00 H new ATOM 1224 N ILE A 83 3.373 1.048 3.491 1.00 0.00 N ATOM 1225 CA ILE A 83 3.021 0.061 4.503 1.00 0.00 C ATOM 1226 C ILE A 83 3.702 -1.276 4.228 1.00 0.00 C ATOM 1227 O ILE A 83 3.401 -1.945 3.240 1.00 0.00 O ATOM 1228 CB ILE A 83 1.498 -0.157 4.571 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.779 1.177 4.786 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.151 -1.135 5.684 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.697 1.128 4.460 1.00 0.00 C ATOM 0 H ILE A 83 2.678 1.163 2.754 1.00 0.00 H new ATOM 0 HA ILE A 83 3.367 0.453 5.459 1.00 0.00 H new ATOM 0 HB ILE A 83 1.165 -0.581 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.903 1.484 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.254 1.940 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.071 -1.278 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.638 -2.091 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.495 -0.737 6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.141 2.108 4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.830 0.852 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.186 0.389 5.095 1.00 0.00 H new ATOM 1243 N SER A 84 4.619 -1.659 5.110 1.00 0.00 N ATOM 1244 CA SER A 84 5.345 -2.915 4.962 1.00 0.00 C ATOM 1245 C SER A 84 4.568 -4.068 5.589 1.00 0.00 C ATOM 1246 O SER A 84 3.793 -3.874 6.524 1.00 0.00 O ATOM 1247 CB SER A 84 6.729 -2.808 5.606 1.00 0.00 C ATOM 1248 OG SER A 84 7.446 -1.698 5.093 1.00 0.00 O ATOM 0 H SER A 84 4.877 -1.118 5.935 1.00 0.00 H new ATOM 0 HA SER A 84 5.462 -3.115 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.624 -2.709 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.291 -3.724 5.423 1.00 0.00 H new ATOM 0 HG SER A 84 8.326 -1.651 5.522 1.00 0.00 H new ATOM 1254 N ASN A 85 4.782 -5.271 5.065 1.00 0.00 N ATOM 1255 CA ASN A 85 4.101 -6.458 5.572 1.00 0.00 C ATOM 1256 C ASN A 85 2.608 -6.400 5.266 1.00 0.00 C ATOM 1257 O ASN A 85 1.775 -6.627 6.144 1.00 0.00 O ATOM 1258 CB ASN A 85 4.320 -6.591 7.080 1.00 0.00 C ATOM 1259 CG ASN A 85 4.113 -8.011 7.571 1.00 0.00 C ATOM 1260 OD1 ASN A 85 5.069 -8.771 7.726 1.00 0.00 O ATOM 1261 ND2 ASN A 85 2.860 -8.375 7.817 1.00 0.00 N ATOM 0 H ASN A 85 5.421 -5.450 4.290 1.00 0.00 H new ATOM 0 HA ASN A 85 4.522 -7.330 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.331 -6.268 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.635 -5.925 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.659 -9.318 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.099 -7.711 7.674 1.00 0.00 H new ATOM 1268 N ILE A 86 2.277 -6.097 4.016 1.00 0.00 N ATOM 1269 CA ILE A 86 0.884 -6.011 3.594 1.00 0.00 C ATOM 1270 C ILE A 86 0.144 -7.315 3.874 1.00 0.00 C ATOM 1271 O ILE A 86 0.751 -8.384 3.946 1.00 0.00 O ATOM 1272 CB ILE A 86 0.769 -5.681 2.094 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.101 -4.208 1.847 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.627 -6.007 1.585 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.064 -3.254 2.398 1.00 0.00 C ATOM 0 H ILE A 86 2.954 -5.907 3.277 1.00 0.00 H new ATOM 0 HA ILE A 86 0.429 -5.206 4.171 1.00 0.00 H new ATOM 0 HB ILE A 86 1.486 -6.293 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.067 -3.981 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.202 -4.042 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.692 -5.768 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.829 -7.068 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.361 -5.419 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.365 -2.228 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.900 -3.454 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.021 -3.392 3.476 1.00 0.00 H new ATOM 1287 N THR A 87 -1.173 -7.220 4.030 1.00 0.00 N ATOM 1288 CA THR A 87 -1.997 -8.391 4.301 1.00 0.00 C ATOM 1289 C THR A 87 -3.200 -8.445 3.367 1.00 0.00 C ATOM 1290 O THR A 87 -3.643 -7.431 2.826 1.00 0.00 O ATOM 1291 CB THR A 87 -2.492 -8.404 5.759 1.00 0.00 C ATOM 1292 OG1 THR A 87 -2.873 -7.083 6.159 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.412 -8.931 6.692 1.00 0.00 C ATOM 0 H THR A 87 -1.692 -6.344 3.973 1.00 0.00 H new ATOM 0 HA THR A 87 -1.369 -9.266 4.131 1.00 0.00 H new ATOM 0 HB THR A 87 -3.357 -9.065 5.820 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.188 -7.100 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.784 -8.931 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.146 -9.948 6.403 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.531 -8.292 6.626 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.745 -9.655 3.172 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.907 -9.869 2.303 1.00 0.00 C ATOM 1303 C PRO A 88 -6.185 -9.279 2.889 1.00 0.00 C ATOM 1304 O PRO A 88 -7.211 -9.204 2.214 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.011 -11.394 2.219 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.366 -11.887 3.469 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.270 -10.907 3.784 1.00 0.00 C ATOM 0 HA PRO A 88 -4.787 -9.383 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.050 -11.717 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.503 -11.777 1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.087 -11.942 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.964 -12.891 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.124 -10.799 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.315 -11.223 3.363 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.116 -8.863 4.150 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.267 -8.278 4.825 1.00 0.00 C ATOM 1317 C ALA A 89 -7.146 -6.760 4.902 1.00 0.00 C ATOM 1318 O ALA A 89 -8.036 -6.081 5.415 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.417 -8.869 6.220 1.00 0.00 C ATOM 0 H ALA A 89 -5.275 -8.921 4.724 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.158 -8.516 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.281 -8.423 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.558 -9.947 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.519 -8.660 6.802 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.039 -6.233 4.391 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.801 -4.794 4.401 1.00 0.00 C ATOM 1327 C ASP A 90 -6.252 -4.159 3.090 1.00 0.00 C ATOM 1328 O ASP A 90 -6.533 -2.963 3.032 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.319 -4.502 4.640 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.096 -3.179 5.345 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.074 -2.420 5.506 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -2.942 -2.901 5.735 1.00 0.00 O ATOM 0 H ASP A 90 -5.292 -6.781 3.964 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.384 -4.360 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.885 -5.305 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.795 -4.494 3.684 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.318 -4.969 2.038 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.735 -4.487 0.727 1.00 0.00 C ATOM 1339 C ALA A 91 -8.007 -3.652 0.829 1.00 0.00 C ATOM 1340 O ALA A 91 -8.614 -3.555 1.895 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.944 -5.657 -0.224 1.00 0.00 C ATOM 0 H ALA A 91 -6.088 -5.962 2.068 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.943 -3.850 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.255 -5.282 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.011 -6.212 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.715 -6.316 0.174 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.406 -3.050 -0.288 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.603 -2.231 -0.302 1.00 0.00 C ATOM 1349 C GLY A 92 -9.415 -0.942 -1.078 1.00 0.00 C ATOM 1350 O GLY A 92 -9.262 -0.961 -2.300 1.00 0.00 O ATOM 0 H GLY A 92 -7.921 -3.115 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.423 -2.799 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.891 -1.996 0.723 1.00 0.00 H new ATOM 1354 N THR A 93 -9.428 0.182 -0.368 1.00 0.00 N ATOM 1355 CA THR A 93 -9.260 1.485 -0.998 1.00 0.00 C ATOM 1356 C THR A 93 -8.831 2.536 0.019 1.00 0.00 C ATOM 1357 O THR A 93 -9.583 2.872 0.934 1.00 0.00 O ATOM 1358 CB THR A 93 -10.559 1.950 -1.683 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.185 0.846 -2.347 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.276 3.057 -2.686 1.00 0.00 C ATOM 0 H THR A 93 -9.553 0.216 0.644 1.00 0.00 H new ATOM 0 HA THR A 93 -8.481 1.373 -1.752 1.00 0.00 H new ATOM 0 HB THR A 93 -11.229 2.339 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.498 0.232 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.208 3.369 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.827 3.907 -2.173 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.590 2.690 -3.449 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.619 3.054 -0.148 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.090 4.067 0.758 1.00 0.00 C ATOM 1370 C TYR A 94 -7.366 5.470 0.227 1.00 0.00 C ATOM 1371 O TYR A 94 -7.007 5.800 -0.903 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.585 3.870 0.953 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.219 2.514 1.512 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.445 1.355 0.779 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.649 2.391 2.772 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.113 0.113 1.285 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.312 1.153 3.286 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.546 0.018 2.539 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.214 -1.217 3.048 1.00 0.00 O ATOM 0 H TYR A 94 -6.985 2.789 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.592 3.957 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.082 4.007 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.210 4.643 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.888 1.427 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.466 3.278 3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.296 -0.778 0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.868 1.075 4.267 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.003 -1.798 3.038 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.006 6.292 1.052 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.333 7.659 0.666 1.00 0.00 C ATOM 1391 C TYR A 95 -7.496 8.662 1.454 1.00 0.00 C ATOM 1392 O TYR A 95 -7.694 8.847 2.655 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.821 7.933 0.891 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.728 6.901 0.260 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.054 5.730 0.932 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.260 7.098 -1.009 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.882 4.784 0.359 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.090 6.158 -1.589 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.397 5.002 -0.902 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.223 4.063 -1.475 1.00 0.00 O ATOM 0 H TYR A 95 -8.308 6.035 1.992 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.105 7.775 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.017 7.970 1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.066 8.915 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.653 5.556 1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.021 8.001 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.125 3.879 0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.496 6.327 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.500 4.370 -2.364 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.558 9.308 0.769 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.689 10.293 1.402 1.00 0.00 C ATOM 1412 C CYS A 96 -6.492 11.501 1.876 1.00 0.00 C ATOM 1413 O CYS A 96 -6.804 12.399 1.093 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.598 10.742 0.428 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.038 11.231 1.233 1.00 0.00 S ATOM 0 H CYS A 96 -6.380 9.167 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.222 9.826 2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.395 9.932 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.972 11.582 -0.157 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.821 11.518 3.163 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.586 12.615 3.743 1.00 0.00 C ATOM 1422 C VAL A 97 -6.665 13.729 4.230 1.00 0.00 C ATOM 1423 O VAL A 97 -5.799 13.508 5.077 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.457 12.134 4.918 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.221 13.299 5.530 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.412 11.042 4.460 1.00 0.00 C ATOM 0 H VAL A 97 -6.569 10.784 3.825 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.234 13.000 2.955 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.804 11.717 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.831 12.939 6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.515 14.045 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.865 13.749 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.020 10.713 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.060 11.431 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.841 10.198 4.074 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.859 14.927 3.691 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.048 16.078 4.071 1.00 0.00 C ATOM 1438 C LYS A 98 -6.748 16.907 5.142 1.00 0.00 C ATOM 1439 O LYS A 98 -7.585 17.757 4.836 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.756 16.949 2.847 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.333 18.365 3.195 1.00 0.00 C ATOM 1442 CD LYS A 98 -4.222 18.376 4.232 1.00 0.00 C ATOM 1443 CE LYS A 98 -4.115 19.729 4.920 1.00 0.00 C ATOM 1444 NZ LYS A 98 -3.473 20.747 4.044 1.00 0.00 N ATOM 0 H LYS A 98 -7.571 15.127 2.989 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.107 15.709 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.970 16.479 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.646 16.989 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.996 18.877 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.191 18.919 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.410 17.602 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.273 18.134 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.110 20.071 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.538 19.625 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.530 20.979 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.382 20.368 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.058 21.607 4.024 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.400 16.656 6.400 1.00 0.00 N ATOM 1459 CA PHE A 99 -6.995 17.380 7.517 1.00 0.00 C ATOM 1460 C PHE A 99 -6.475 18.813 7.575 1.00 0.00 C ATOM 1461 O PHE A 99 -5.309 19.075 7.278 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.695 16.663 8.835 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.734 15.647 9.215 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.804 14.429 8.558 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.641 15.911 10.229 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.759 13.492 8.906 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.598 14.977 10.581 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.658 13.767 9.918 1.00 0.00 C ATOM 0 H PHE A 99 -5.709 15.957 6.671 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.074 17.409 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.726 16.169 8.758 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.613 17.403 9.631 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.105 14.209 7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.600 16.856 10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.802 12.546 8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.298 15.194 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.406 13.037 10.190 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.349 19.738 7.960 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.979 21.145 8.055 1.00 0.00 C ATOM 1480 C ARG A 100 -6.870 21.581 9.514 1.00 0.00 C ATOM 1481 O ARG A 100 -7.715 21.238 10.341 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.007 22.015 7.328 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.232 22.340 8.166 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.268 23.110 7.363 1.00 0.00 C ATOM 1485 NE ARG A 100 -10.028 24.550 7.396 1.00 0.00 N ATOM 1486 CZ ARG A 100 -10.634 25.415 6.590 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -11.513 24.988 5.694 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -10.362 26.711 6.681 1.00 0.00 N ATOM 0 H ARG A 100 -8.317 19.538 8.211 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.005 21.272 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.530 22.946 7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.324 21.504 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.673 21.416 8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.934 22.926 9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.255 22.764 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.262 22.899 7.758 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.358 24.912 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.726 23.993 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.977 25.655 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.687 27.043 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.828 27.375 6.062 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.823 22.338 9.823 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.602 22.822 11.180 1.00 0.00 C ATOM 1504 C LYS A 101 -6.764 23.696 11.642 1.00 0.00 C ATOM 1505 O LYS A 101 -6.943 24.813 11.160 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.294 23.613 11.255 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.640 23.578 12.625 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.420 24.483 12.684 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.455 24.047 13.775 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.278 24.955 13.870 1.00 0.00 N ATOM 0 H LYS A 101 -5.113 22.630 9.151 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.535 21.958 11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.596 23.215 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.490 24.650 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.361 23.888 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.348 22.555 12.864 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.911 24.472 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.736 25.510 12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.975 24.025 14.733 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.115 23.031 13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.356 24.624 14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.233 24.956 12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.600 25.920 14.087 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.550 23.179 12.581 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.684 23.926 13.094 1.00 0.00 C ATOM 1526 C GLY A 102 -8.896 23.711 14.579 1.00 0.00 C ATOM 1527 O GLY A 102 -8.214 22.896 15.199 1.00 0.00 O ATOM 0 H GLY A 102 -7.422 22.256 12.996 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.532 24.988 12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.584 23.630 12.555 1.00 0.00 H new ATOM 1531 N SER A 103 -9.845 24.446 15.152 1.00 0.00 N ATOM 1532 CA SER A 103 -10.141 24.336 16.575 1.00 0.00 C ATOM 1533 C SER A 103 -11.579 23.876 16.797 1.00 0.00 C ATOM 1534 O SER A 103 -12.466 24.109 15.975 1.00 0.00 O ATOM 1535 CB SER A 103 -9.911 25.679 17.271 1.00 0.00 C ATOM 1536 OG SER A 103 -10.504 26.739 16.543 1.00 0.00 O ATOM 0 H SER A 103 -10.421 25.123 14.652 1.00 0.00 H new ATOM 0 HA SER A 103 -9.469 23.592 17.004 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.329 25.647 18.277 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.841 25.859 17.375 1.00 0.00 H new ATOM 0 HG SER A 103 -10.344 27.586 17.010 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.817 23.207 17.934 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.769 22.923 18.919 1.00 0.00 C ATOM 1544 C PRO A 104 -9.759 21.899 18.413 1.00 0.00 C ATOM 1545 O PRO A 104 -8.802 21.561 19.109 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.547 22.362 20.113 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.793 21.798 19.521 1.00 0.00 C ATOM 1548 CD PRO A 104 -13.127 22.674 18.346 1.00 0.00 C ATOM 0 HA PRO A 104 -10.180 23.810 19.154 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.974 21.595 20.634 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.772 23.142 20.841 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.643 20.765 19.207 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.604 21.795 20.249 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.600 22.107 17.544 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.816 23.472 18.623 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.978 21.410 17.198 1.00 0.00 N ATOM 1557 CA ASP A 105 -9.086 20.425 16.597 1.00 0.00 C ATOM 1558 C ASP A 105 -9.168 20.474 15.075 1.00 0.00 C ATOM 1559 O ASP A 105 -9.932 21.257 14.509 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.432 19.021 17.094 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.926 18.763 18.500 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.693 18.779 18.699 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -9.762 18.545 19.401 1.00 0.00 O ATOM 0 H ASP A 105 -10.766 21.680 16.609 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.066 20.666 16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.513 18.887 17.070 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.004 18.283 16.416 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.376 19.635 14.417 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.359 19.582 12.960 1.00 0.00 C ATOM 1570 C ASP A 106 -9.734 19.210 12.414 1.00 0.00 C ATOM 1571 O ASP A 106 -10.665 18.945 13.175 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.315 18.574 12.477 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.438 17.234 13.174 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.571 16.719 13.275 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.401 16.699 13.618 1.00 0.00 O ATOM 0 H ASP A 106 -7.737 18.982 14.870 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.096 20.572 12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.422 18.432 11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.317 18.979 12.648 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.854 19.192 11.090 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.115 18.852 10.442 1.00 0.00 C ATOM 1582 C VAL A 107 -10.887 18.374 9.012 1.00 0.00 C ATOM 1583 O VAL A 107 -10.154 19.001 8.248 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.078 20.055 10.421 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.343 19.713 9.649 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.411 20.494 11.839 1.00 0.00 C ATOM 0 H VAL A 107 -9.094 19.409 10.446 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.563 18.047 11.025 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.585 20.885 9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.011 20.574 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.084 19.450 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.842 18.869 10.125 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.092 21.344 11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -12.885 19.670 12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.495 20.782 12.355 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.519 17.259 8.658 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.384 16.697 7.320 1.00 0.00 C ATOM 1598 C GLU A 108 -11.779 17.719 6.258 1.00 0.00 C ATOM 1599 O GLU A 108 -12.953 18.062 6.117 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.247 15.441 7.181 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.346 14.925 5.755 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.549 14.027 5.541 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.637 14.555 5.232 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.401 12.795 5.683 1.00 0.00 O ATOM 0 H GLU A 108 -12.129 16.728 9.279 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.338 16.429 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.835 14.656 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.249 15.656 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.402 15.771 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.438 14.375 5.508 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.790 18.203 5.514 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.033 19.187 4.465 1.00 0.00 C ATOM 1613 C PHE A 109 -11.150 18.511 3.102 1.00 0.00 C ATOM 1614 O PHE A 109 -12.189 18.588 2.445 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.908 20.223 4.438 1.00 0.00 C ATOM 1616 CG PHE A 109 -10.046 21.229 3.332 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.818 22.366 3.503 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.402 21.038 2.119 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.947 23.293 2.486 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.527 21.961 1.099 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.300 23.091 1.283 1.00 0.00 C ATOM 0 H PHE A 109 -9.813 17.930 5.618 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.975 19.690 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.884 20.747 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.953 19.708 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.325 22.530 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.795 20.157 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.553 24.175 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.021 21.799 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.398 23.815 0.488 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.078 17.849 2.682 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.058 17.159 1.398 1.00 0.00 C ATOM 1633 C LYS A 110 -10.141 15.648 1.591 1.00 0.00 C ATOM 1634 O LYS A 110 -9.998 15.146 2.706 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.787 17.515 0.624 1.00 0.00 C ATOM 1636 CG LYS A 110 -8.995 17.606 -0.878 1.00 0.00 C ATOM 1637 CD LYS A 110 -9.334 19.023 -1.309 1.00 0.00 C ATOM 1638 CE LYS A 110 -10.722 19.431 -0.841 1.00 0.00 C ATOM 1639 NZ LYS A 110 -11.207 20.653 -1.539 1.00 0.00 N ATOM 0 H LYS A 110 -9.210 17.776 3.213 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.927 17.483 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.405 18.469 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.023 16.766 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.093 17.274 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.798 16.932 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.595 19.714 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.279 19.097 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.419 18.612 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.704 19.610 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.246 20.640 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.891 21.497 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.823 20.676 -2.505 1.00 0.00 H new ATOM 1653 N SER A 111 -10.373 14.928 0.498 1.00 0.00 N ATOM 1654 CA SER A 111 -10.477 13.474 0.548 1.00 0.00 C ATOM 1655 C SER A 111 -9.953 12.847 -0.740 1.00 0.00 C ATOM 1656 O SER A 111 -10.531 13.028 -1.811 1.00 0.00 O ATOM 1657 CB SER A 111 -11.930 13.054 0.779 1.00 0.00 C ATOM 1658 OG SER A 111 -12.057 11.643 0.793 1.00 0.00 O ATOM 0 H SER A 111 -10.493 15.328 -0.433 1.00 0.00 H new ATOM 0 HA SER A 111 -9.867 13.119 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.284 13.463 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.562 13.471 -0.005 1.00 0.00 H new ATOM 0 HG SER A 111 -12.994 11.400 0.944 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.854 12.108 -0.627 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.269 11.465 -1.789 1.00 0.00 C ATOM 1666 C GLY A 112 -9.276 10.636 -2.561 1.00 0.00 C ATOM 1667 O GLY A 112 -10.258 10.156 -1.996 1.00 0.00 O ATOM 0 H GLY A 112 -8.358 11.943 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.848 12.225 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.445 10.826 -1.471 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.034 10.470 -3.857 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.927 9.693 -4.708 1.00 0.00 C ATOM 1673 C ALA A 113 -10.141 8.292 -4.144 1.00 0.00 C ATOM 1674 O ALA A 113 -11.246 7.754 -4.195 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.374 9.616 -6.123 1.00 0.00 C ATOM 0 H ALA A 113 -8.227 10.863 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.893 10.197 -4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.051 9.033 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.279 10.622 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.395 9.138 -6.105 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.075 7.706 -3.608 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.168 6.372 -3.044 1.00 0.00 C ATOM 1683 C GLY A 114 -8.315 5.366 -3.791 1.00 0.00 C ATOM 1684 O GLY A 114 -8.794 4.688 -4.701 1.00 0.00 O ATOM 0 H GLY A 114 -8.149 8.131 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.859 6.400 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.208 6.046 -3.061 1.00 0.00 H new ATOM 1688 N THR A 115 -7.046 5.267 -3.408 1.00 0.00 N ATOM 1689 CA THR A 115 -6.123 4.339 -4.050 1.00 0.00 C ATOM 1690 C THR A 115 -6.483 2.894 -3.725 1.00 0.00 C ATOM 1691 O THR A 115 -6.241 2.419 -2.616 1.00 0.00 O ATOM 1692 CB THR A 115 -4.669 4.604 -3.617 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.321 5.968 -3.877 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.709 3.681 -4.353 1.00 0.00 C ATOM 0 H THR A 115 -6.634 5.819 -2.656 1.00 0.00 H new ATOM 0 HA THR A 115 -6.209 4.499 -5.125 1.00 0.00 H new ATOM 0 HB THR A 115 -4.590 4.407 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.209 6.099 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.688 3.886 -4.031 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.958 2.644 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.792 3.851 -5.426 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.061 2.200 -4.700 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.454 0.808 -4.517 1.00 0.00 C ATOM 1704 C GLU A 116 -6.228 -0.096 -4.426 1.00 0.00 C ATOM 1705 O GLU A 116 -5.376 -0.096 -5.316 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.354 0.352 -5.668 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.823 -1.088 -5.541 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.755 -1.499 -6.664 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.439 -1.205 -7.835 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.801 -2.114 -6.370 1.00 0.00 O ATOM 0 H GLU A 116 -7.267 2.579 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.009 0.734 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.225 1.006 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.814 0.468 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.956 -1.749 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.332 -1.218 -4.586 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.146 -0.866 -3.347 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.024 -1.775 -3.139 1.00 0.00 C ATOM 1719 C LEU A 117 -5.382 -3.191 -3.579 1.00 0.00 C ATOM 1720 O LEU A 117 -6.494 -3.663 -3.342 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.609 -1.776 -1.666 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.339 -2.556 -1.327 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.117 -1.869 -1.917 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.192 -2.708 0.180 1.00 0.00 C ATOM 0 H LEU A 117 -6.843 -0.879 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.188 -1.426 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.473 -0.743 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.431 -2.185 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.419 -3.550 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.222 -2.439 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.219 -1.813 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.033 -0.862 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.282 -3.266 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.135 -1.722 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.053 -3.245 0.577 1.00 0.00 H new ATOM 1736 N SER A 118 -4.431 -3.864 -4.218 1.00 0.00 N ATOM 1737 CA SER A 118 -4.646 -5.226 -4.692 1.00 0.00 C ATOM 1738 C SER A 118 -3.638 -6.185 -4.067 1.00 0.00 C ATOM 1739 O SER A 118 -2.520 -6.337 -4.560 1.00 0.00 O ATOM 1740 CB SER A 118 -4.541 -5.280 -6.218 1.00 0.00 C ATOM 1741 OG SER A 118 -5.151 -6.452 -6.730 1.00 0.00 O ATOM 0 H SER A 118 -3.504 -3.489 -4.419 1.00 0.00 H new ATOM 0 HA SER A 118 -5.648 -5.534 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.018 -4.400 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.493 -5.253 -6.515 1.00 0.00 H new ATOM 0 HG SER A 118 -5.072 -6.462 -7.707 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.041 -6.831 -2.978 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.174 -7.777 -2.285 1.00 0.00 C ATOM 1749 C VAL A 119 -3.136 -9.119 -3.007 1.00 0.00 C ATOM 1750 O VAL A 119 -4.161 -9.787 -3.151 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.636 -8.000 -0.832 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.695 -8.956 -0.114 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.728 -6.674 -0.093 1.00 0.00 C ATOM 0 H VAL A 119 -4.963 -6.717 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.174 -7.344 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.629 -8.449 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.037 -9.102 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.685 -9.915 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.689 -8.538 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.056 -6.850 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.749 -6.194 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.445 -6.026 -0.597 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.949 -9.509 -3.458 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.777 -10.771 -4.166 1.00 0.00 C ATOM 1765 C ARG A 120 -1.269 -11.858 -3.223 1.00 0.00 C ATOM 1766 O ARG A 120 -0.233 -11.700 -2.578 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.804 -10.598 -5.333 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.430 -9.952 -6.558 1.00 0.00 C ATOM 1769 CD ARG A 120 -2.197 -10.966 -7.392 1.00 0.00 C ATOM 1770 NE ARG A 120 -1.328 -11.671 -8.330 1.00 0.00 N ATOM 1771 CZ ARG A 120 -0.679 -11.073 -9.324 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -0.801 -9.766 -9.506 1.00 0.00 N ATOM 1773 NH2 ARG A 120 0.093 -11.783 -10.136 1.00 0.00 N ATOM 0 H ARG A 120 -1.091 -8.969 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.749 -11.076 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.040 -9.992 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.406 -11.574 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.102 -9.153 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.651 -9.493 -7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -2.680 -11.687 -6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.989 -10.458 -7.943 1.00 0.00 H new ATOM 0 HE ARG A 120 -1.213 -12.678 -8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -1.394 -9.217 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.302 -9.309 -10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.189 -12.789 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 120 0.590 -11.323 -10.898 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.006 -12.962 -3.149 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.629 -14.076 -2.287 1.00 0.00 C ATOM 1789 C ALA A 121 -0.166 -14.454 -2.487 1.00 0.00 C ATOM 1790 O ALA A 121 0.362 -14.373 -3.596 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.527 -15.275 -2.553 1.00 0.00 C ATOM 0 H ALA A 121 -2.867 -13.109 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.757 -13.762 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.235 -16.100 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.564 -15.005 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.427 -15.581 -3.594 1.00 0.00 H new ATOM 1797 N LYS A 122 0.487 -14.866 -1.405 1.00 0.00 N ATOM 1798 CA LYS A 122 1.890 -15.258 -1.460 1.00 0.00 C ATOM 1799 C LYS A 122 2.175 -16.086 -2.709 1.00 0.00 C ATOM 1800 O LYS A 122 1.305 -16.779 -3.236 1.00 0.00 O ATOM 1801 CB LYS A 122 2.268 -16.054 -0.210 1.00 0.00 C ATOM 1802 CG LYS A 122 2.427 -15.196 1.033 1.00 0.00 C ATOM 1803 CD LYS A 122 2.425 -16.040 2.297 1.00 0.00 C ATOM 1804 CE LYS A 122 1.933 -15.245 3.497 1.00 0.00 C ATOM 1805 NZ LYS A 122 0.450 -15.109 3.502 1.00 0.00 N ATOM 0 H LYS A 122 0.066 -14.937 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 122 2.493 -14.351 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.503 -16.808 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.201 -16.585 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.359 -14.634 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.617 -14.468 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.789 -16.913 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.432 -16.408 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.256 -15.736 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.388 -14.255 3.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.182 -14.250 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.104 -15.042 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.027 -15.940 3.963 1.00 0.00 H new