USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -5.23! C(o=-5.2!,f=-6.4!) USER MOD Single : A 24 ASN : amide:sc= -0.0713 K(o=-0.071,f=-0.59) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 51:sc= 0.0452 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -1.09! (180deg=-1.59!) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= -0.476 (180deg=-1.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -12.442 2.417 -9.920 1.00 0.00 N ATOM 14 CA LEU A 2 -11.544 1.691 -9.028 1.00 0.00 C ATOM 15 C LEU A 2 -10.233 2.449 -8.838 1.00 0.00 C ATOM 16 O LEU A 2 -9.993 3.468 -9.486 1.00 0.00 O ATOM 17 CB LEU A 2 -11.264 0.293 -9.581 1.00 0.00 C ATOM 18 CG LEU A 2 -12.381 -0.728 -9.357 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.253 -0.846 -10.598 1.00 0.00 C ATOM 20 CD2 LEU A 2 -11.795 -2.082 -8.984 1.00 0.00 C ATOM 0 HA LEU A 2 -12.032 1.599 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.076 0.373 -10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.350 -0.085 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.005 -0.383 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -14.042 -1.577 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.699 0.123 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.643 -1.169 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.602 -2.797 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.149 -2.433 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.213 -1.986 -8.068 1.00 0.00 H new ATOM 32 N VAL A 3 -9.391 1.943 -7.944 1.00 0.00 N ATOM 33 CA VAL A 3 -8.103 2.567 -7.665 1.00 0.00 C ATOM 34 C VAL A 3 -6.990 1.520 -7.610 1.00 0.00 C ATOM 35 O VAL A 3 -7.247 0.333 -7.418 1.00 0.00 O ATOM 36 CB VAL A 3 -8.149 3.364 -6.332 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.752 3.637 -5.782 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.910 4.668 -6.525 1.00 0.00 C ATOM 0 H VAL A 3 -9.578 1.101 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.889 3.261 -8.478 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.672 2.750 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.831 4.196 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.243 2.691 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.183 4.219 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.935 5.217 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.412 5.271 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.929 4.451 -6.846 1.00 0.00 H new ATOM 48 N GLU A 4 -5.754 1.980 -7.770 1.00 0.00 N ATOM 49 CA GLU A 4 -4.595 1.099 -7.731 1.00 0.00 C ATOM 50 C GLU A 4 -3.505 1.687 -6.840 1.00 0.00 C ATOM 51 O GLU A 4 -2.806 2.621 -7.232 1.00 0.00 O ATOM 52 CB GLU A 4 -4.050 0.874 -9.143 1.00 0.00 C ATOM 53 CG GLU A 4 -4.891 -0.081 -9.975 1.00 0.00 C ATOM 54 CD GLU A 4 -6.187 0.547 -10.450 1.00 0.00 C ATOM 55 OE1 GLU A 4 -6.223 1.784 -10.614 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.167 -0.201 -10.658 1.00 0.00 O ATOM 0 H GLU A 4 -5.530 2.962 -7.929 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.907 0.141 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.989 1.833 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.034 0.484 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.313 -0.410 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.117 -0.969 -9.385 1.00 0.00 H new ATOM 63 N LEU A 5 -3.367 1.135 -5.639 1.00 0.00 N ATOM 64 CA LEU A 5 -2.363 1.609 -4.693 1.00 0.00 C ATOM 65 C LEU A 5 -0.962 1.449 -5.271 1.00 0.00 C ATOM 66 O LEU A 5 -0.745 0.659 -6.190 1.00 0.00 O ATOM 67 CB LEU A 5 -2.476 0.851 -3.369 1.00 0.00 C ATOM 68 CG LEU A 5 -2.768 1.723 -2.147 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.566 2.590 -1.809 1.00 0.00 C ATOM 70 CD2 LEU A 5 -3.997 2.587 -2.391 1.00 0.00 C ATOM 0 H LEU A 5 -3.936 0.360 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.543 2.668 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.265 0.105 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.545 0.310 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.969 1.069 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.793 3.203 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.708 1.954 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.334 3.236 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.190 3.201 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.823 3.232 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.859 1.948 -2.584 1.00 0.00 H new ATOM 82 N LYS A 6 -0.013 2.207 -4.734 1.00 0.00 N ATOM 83 CA LYS A 6 1.362 2.148 -5.211 1.00 0.00 C ATOM 84 C LYS A 6 2.357 2.434 -4.091 1.00 0.00 C ATOM 85 O LYS A 6 2.101 3.250 -3.205 1.00 0.00 O ATOM 86 CB LYS A 6 1.558 3.145 -6.353 1.00 0.00 C ATOM 87 CG LYS A 6 0.812 2.766 -7.623 1.00 0.00 C ATOM 88 CD LYS A 6 1.623 3.098 -8.865 1.00 0.00 C ATOM 89 CE LYS A 6 0.753 3.710 -9.950 1.00 0.00 C ATOM 90 NZ LYS A 6 1.567 4.250 -11.075 1.00 0.00 N ATOM 0 H LYS A 6 -0.170 2.866 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 6 1.550 1.137 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.226 4.130 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.622 3.225 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.586 1.700 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.141 3.294 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.423 3.791 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.097 2.193 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.063 2.957 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.148 4.510 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.937 4.659 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.208 4.987 -10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.125 3.482 -11.500 1.00 0.00 H new ATOM 104 N VAL A 7 3.497 1.756 -4.152 1.00 0.00 N ATOM 105 CA VAL A 7 4.555 1.920 -3.163 1.00 0.00 C ATOM 106 C VAL A 7 4.848 3.401 -2.914 1.00 0.00 C ATOM 107 O VAL A 7 4.844 4.209 -3.842 1.00 0.00 O ATOM 108 CB VAL A 7 5.834 1.188 -3.629 1.00 0.00 C ATOM 109 CG1 VAL A 7 7.023 1.494 -2.727 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.580 -0.309 -3.699 1.00 0.00 C ATOM 0 H VAL A 7 3.713 1.080 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 7 4.218 1.481 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 7 6.086 1.553 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.901 0.960 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.220 2.566 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.799 1.175 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.487 -0.817 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.296 -0.676 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.775 -0.509 -4.406 1.00 0.00 H new ATOM 120 N PRO A 8 5.095 3.778 -1.644 1.00 0.00 N ATOM 121 CA PRO A 8 5.375 5.165 -1.272 1.00 0.00 C ATOM 122 C PRO A 8 6.794 5.597 -1.620 1.00 0.00 C ATOM 123 O PRO A 8 7.521 4.892 -2.318 1.00 0.00 O ATOM 124 CB PRO A 8 5.183 5.169 0.244 1.00 0.00 C ATOM 125 CG PRO A 8 5.508 3.777 0.672 1.00 0.00 C ATOM 126 CD PRO A 8 5.109 2.878 -0.472 1.00 0.00 C ATOM 0 HA PRO A 8 4.729 5.861 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.840 5.894 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.161 5.437 0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.571 3.676 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.967 3.513 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.818 2.061 -0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.131 2.427 -0.303 1.00 0.00 H new ATOM 134 N ASP A 9 7.173 6.765 -1.119 1.00 0.00 N ATOM 135 CA ASP A 9 8.499 7.316 -1.358 1.00 0.00 C ATOM 136 C ASP A 9 9.519 6.707 -0.401 1.00 0.00 C ATOM 137 O ASP A 9 9.823 7.280 0.645 1.00 0.00 O ATOM 138 CB ASP A 9 8.468 8.833 -1.187 1.00 0.00 C ATOM 139 CG ASP A 9 8.420 9.567 -2.513 1.00 0.00 C ATOM 140 OD1 ASP A 9 9.487 9.724 -3.143 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.316 9.984 -2.920 1.00 0.00 O ATOM 0 H ASP A 9 6.574 7.353 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 9 8.795 7.072 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.599 9.110 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.350 9.151 -0.631 1.00 0.00 H new ATOM 146 N ILE A 10 10.047 5.545 -0.766 1.00 0.00 N ATOM 147 CA ILE A 10 11.034 4.863 0.062 1.00 0.00 C ATOM 148 C ILE A 10 12.436 5.033 -0.511 1.00 0.00 C ATOM 149 O ILE A 10 13.060 4.070 -0.956 1.00 0.00 O ATOM 150 CB ILE A 10 10.731 3.353 0.214 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.017 2.812 -1.030 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.895 3.101 1.462 1.00 0.00 C ATOM 153 CD1 ILE A 10 10.830 2.945 -2.300 1.00 0.00 C ATOM 0 H ILE A 10 9.809 5.056 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 10 10.979 5.325 1.048 1.00 0.00 H new ATOM 0 HB ILE A 10 11.678 2.824 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.775 1.761 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.072 3.341 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.691 2.034 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.441 3.443 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.954 3.645 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.263 2.542 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.050 3.997 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.763 2.392 -2.194 1.00 0.00 H new ATOM 197 N GLU A 14 13.904 1.744 -6.162 1.00 0.00 N ATOM 198 CA GLU A 14 13.108 0.524 -6.233 1.00 0.00 C ATOM 199 C GLU A 14 13.619 -0.533 -5.259 1.00 0.00 C ATOM 200 O GLU A 14 14.626 -0.335 -4.580 1.00 0.00 O ATOM 201 CB GLU A 14 13.123 -0.035 -7.657 1.00 0.00 C ATOM 202 CG GLU A 14 12.332 0.803 -8.648 1.00 0.00 C ATOM 203 CD GLU A 14 13.206 1.767 -9.425 1.00 0.00 C ATOM 204 OE1 GLU A 14 14.439 1.566 -9.444 1.00 0.00 O ATOM 205 OE2 GLU A 14 12.660 2.723 -10.014 1.00 0.00 O ATOM 0 HA GLU A 14 12.086 0.779 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.155 -0.108 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.718 -1.047 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.816 0.143 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.565 1.364 -8.113 1.00 0.00 H new ATOM 212 N ASN A 15 12.910 -1.656 -5.205 1.00 0.00 N ATOM 213 CA ASN A 15 13.271 -2.765 -4.327 1.00 0.00 C ATOM 214 C ASN A 15 13.625 -2.282 -2.923 1.00 0.00 C ATOM 215 O ASN A 15 14.767 -1.909 -2.650 1.00 0.00 O ATOM 216 CB ASN A 15 14.441 -3.555 -4.918 1.00 0.00 C ATOM 217 CG ASN A 15 15.713 -2.735 -5.009 1.00 0.00 C ATOM 218 OD1 ASN A 15 15.883 -1.931 -5.925 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.615 -2.935 -4.055 1.00 0.00 N ATOM 0 H ASN A 15 12.074 -1.823 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 15 12.400 -3.416 -4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.625 -4.437 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.170 -3.909 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.490 -2.412 -4.063 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.432 -3.612 -3.314 1.00 0.00 H new ATOM 226 N VAL A 16 12.640 -2.309 -2.030 1.00 0.00 N ATOM 227 CA VAL A 16 12.848 -1.894 -0.647 1.00 0.00 C ATOM 228 C VAL A 16 12.181 -2.875 0.306 1.00 0.00 C ATOM 229 O VAL A 16 11.645 -3.896 -0.120 1.00 0.00 O ATOM 230 CB VAL A 16 12.299 -0.480 -0.377 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.020 0.548 -1.235 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.798 -0.432 -0.614 1.00 0.00 C ATOM 0 H VAL A 16 11.690 -2.614 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 16 13.925 -1.881 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 16 12.482 -0.234 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.618 1.540 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.085 0.533 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.875 0.309 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.431 0.575 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.584 -0.701 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.301 -1.136 0.054 1.00 0.00 H new ATOM 242 N ASP A 17 12.217 -2.569 1.595 1.00 0.00 N ATOM 243 CA ASP A 17 11.614 -3.441 2.593 1.00 0.00 C ATOM 244 C ASP A 17 10.461 -2.750 3.310 1.00 0.00 C ATOM 245 O ASP A 17 10.646 -1.712 3.950 1.00 0.00 O ATOM 246 CB ASP A 17 12.665 -3.886 3.611 1.00 0.00 C ATOM 247 CG ASP A 17 13.533 -5.015 3.091 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.743 -5.084 1.862 1.00 0.00 O ATOM 249 OD2 ASP A 17 14.002 -5.830 3.912 1.00 0.00 O ATOM 0 H ASP A 17 12.655 -1.729 1.973 1.00 0.00 H new ATOM 0 HA ASP A 17 11.219 -4.315 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.296 -3.037 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.167 -4.206 4.526 1.00 0.00 H new ATOM 254 N ILE A 18 9.270 -3.334 3.212 1.00 0.00 N ATOM 255 CA ILE A 18 8.101 -2.777 3.867 1.00 0.00 C ATOM 256 C ILE A 18 8.244 -2.901 5.377 1.00 0.00 C ATOM 257 O ILE A 18 9.027 -3.711 5.872 1.00 0.00 O ATOM 258 CB ILE A 18 6.803 -3.475 3.400 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.513 -3.119 1.946 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.622 -3.085 4.282 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.719 -4.178 1.210 1.00 0.00 C ATOM 0 H ILE A 18 9.094 -4.190 2.686 1.00 0.00 H new ATOM 0 HA ILE A 18 8.032 -1.724 3.593 1.00 0.00 H new ATOM 0 HB ILE A 18 6.946 -4.552 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.965 -2.177 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.457 -2.957 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.723 -3.591 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.824 -3.379 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.474 -2.006 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.550 -3.857 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.275 -5.116 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.760 -4.324 1.707 1.00 0.00 H new ATOM 273 N ILE A 19 7.493 -2.089 6.102 1.00 0.00 N ATOM 274 CA ILE A 19 7.555 -2.111 7.560 1.00 0.00 C ATOM 275 C ILE A 19 6.163 -2.302 8.180 1.00 0.00 C ATOM 276 O ILE A 19 6.046 -2.626 9.362 1.00 0.00 O ATOM 277 CB ILE A 19 8.266 -0.828 8.133 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.347 0.003 9.042 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.808 0.050 7.007 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.030 1.199 9.664 1.00 0.00 C ATOM 0 H ILE A 19 6.838 -1.411 5.713 1.00 0.00 H new ATOM 0 HA ILE A 19 8.162 -2.971 7.842 1.00 0.00 H new ATOM 0 HB ILE A 19 9.096 -1.187 8.742 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.490 0.346 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.960 -0.637 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.294 0.928 7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.531 -0.516 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.986 0.365 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.320 1.737 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.870 0.863 10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.393 1.861 8.877 1.00 0.00 H new ATOM 292 N ALA A 20 5.116 -2.094 7.386 1.00 0.00 N ATOM 293 CA ALA A 20 3.756 -2.240 7.879 1.00 0.00 C ATOM 294 C ALA A 20 2.812 -2.705 6.775 1.00 0.00 C ATOM 295 O ALA A 20 3.022 -2.412 5.599 1.00 0.00 O ATOM 296 CB ALA A 20 3.276 -0.923 8.466 1.00 0.00 C ATOM 0 H ALA A 20 5.186 -1.825 6.404 1.00 0.00 H new ATOM 0 HA ALA A 20 3.755 -3.002 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.256 -1.039 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.928 -0.633 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.299 -0.152 7.696 1.00 0.00 H new ATOM 302 N VAL A 21 1.771 -3.431 7.166 1.00 0.00 N ATOM 303 CA VAL A 21 0.789 -3.938 6.216 1.00 0.00 C ATOM 304 C VAL A 21 -0.622 -3.835 6.784 1.00 0.00 C ATOM 305 O VAL A 21 -0.906 -4.354 7.863 1.00 0.00 O ATOM 306 CB VAL A 21 1.076 -5.404 5.844 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.970 -6.296 7.071 1.00 0.00 C ATOM 308 CG2 VAL A 21 0.128 -5.873 4.750 1.00 0.00 C ATOM 0 H VAL A 21 1.585 -3.682 8.137 1.00 0.00 H new ATOM 0 HA VAL A 21 0.864 -3.323 5.319 1.00 0.00 H new ATOM 0 HB VAL A 21 2.095 -5.471 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.176 -7.329 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.694 -5.973 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.036 -6.227 7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.346 -6.911 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.901 -5.792 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.259 -5.252 3.864 1.00 0.00 H new ATOM 318 N GLU A 22 -1.505 -3.160 6.053 1.00 0.00 N ATOM 319 CA GLU A 22 -2.885 -2.992 6.492 1.00 0.00 C ATOM 320 C GLU A 22 -3.859 -3.320 5.367 1.00 0.00 C ATOM 321 O GLU A 22 -4.919 -2.705 5.250 1.00 0.00 O ATOM 322 CB GLU A 22 -3.117 -1.560 6.979 1.00 0.00 C ATOM 323 CG GLU A 22 -2.145 -1.121 8.062 1.00 0.00 C ATOM 324 CD GLU A 22 -2.774 -1.116 9.442 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.649 -1.970 9.698 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.391 -0.260 10.266 1.00 0.00 O ATOM 0 H GLU A 22 -1.290 -2.722 5.157 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.063 -3.683 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.036 -0.879 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.135 -1.475 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.282 -1.787 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.776 -0.122 7.831 1.00 0.00 H new ATOM 333 N VAL A 23 -3.495 -4.296 4.542 1.00 0.00 N ATOM 334 CA VAL A 23 -4.339 -4.705 3.428 1.00 0.00 C ATOM 335 C VAL A 23 -4.475 -6.222 3.371 1.00 0.00 C ATOM 336 O VAL A 23 -3.497 -6.936 3.145 1.00 0.00 O ATOM 337 CB VAL A 23 -3.787 -4.196 2.085 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.013 -2.698 1.949 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.309 -4.535 1.951 1.00 0.00 C ATOM 0 H VAL A 23 -2.622 -4.817 4.625 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.320 -4.262 3.596 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.324 -4.696 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.616 -2.355 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.081 -2.485 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.504 -2.178 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.937 -4.167 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.753 -4.065 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.178 -5.616 2.000 1.00 0.00 H new ATOM 349 N ASN A 24 -5.693 -6.706 3.578 1.00 0.00 N ATOM 350 CA ASN A 24 -5.964 -8.139 3.553 1.00 0.00 C ATOM 351 C ASN A 24 -6.884 -8.510 2.392 1.00 0.00 C ATOM 352 O ASN A 24 -7.446 -9.604 2.362 1.00 0.00 O ATOM 353 CB ASN A 24 -6.604 -8.573 4.868 1.00 0.00 C ATOM 354 CG ASN A 24 -6.216 -9.984 5.264 1.00 0.00 C ATOM 355 OD1 ASN A 24 -5.055 -10.375 5.150 1.00 0.00 O ATOM 356 ND2 ASN A 24 -7.190 -10.755 5.732 1.00 0.00 N ATOM 0 H ASN A 24 -6.511 -6.126 3.766 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.014 -8.656 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.308 -7.883 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.688 -8.509 4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.990 -11.714 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.139 -10.388 5.809 1.00 0.00 H new ATOM 363 N VAL A 25 -7.037 -7.592 1.442 1.00 0.00 N ATOM 364 CA VAL A 25 -7.890 -7.818 0.281 1.00 0.00 C ATOM 365 C VAL A 25 -9.349 -8.023 0.700 1.00 0.00 C ATOM 366 O VAL A 25 -9.672 -8.969 1.420 1.00 0.00 O ATOM 367 CB VAL A 25 -7.369 -9.013 -0.579 1.00 0.00 C ATOM 368 CG1 VAL A 25 -8.213 -10.282 -0.426 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.290 -8.606 -2.041 1.00 0.00 C ATOM 0 H VAL A 25 -6.579 -6.681 1.455 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.849 -6.925 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.374 -9.257 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.797 -11.073 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.206 -10.600 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.238 -10.077 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.926 -9.445 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.281 -8.317 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.607 -7.763 -2.148 1.00 0.00 H new ATOM 379 N GLY A 26 -10.221 -7.130 0.245 1.00 0.00 N ATOM 380 CA GLY A 26 -11.629 -7.229 0.582 1.00 0.00 C ATOM 381 C GLY A 26 -11.975 -6.475 1.851 1.00 0.00 C ATOM 382 O GLY A 26 -12.967 -6.781 2.511 1.00 0.00 O ATOM 0 H GLY A 26 -9.978 -6.339 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.225 -6.839 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.898 -8.278 0.702 1.00 0.00 H new ATOM 386 N ASP A 27 -11.153 -5.488 2.193 1.00 0.00 N ATOM 387 CA ASP A 27 -11.376 -4.688 3.392 1.00 0.00 C ATOM 388 C ASP A 27 -11.849 -3.284 3.030 1.00 0.00 C ATOM 389 O ASP A 27 -11.472 -2.740 1.992 1.00 0.00 O ATOM 390 CB ASP A 27 -10.093 -4.609 4.222 1.00 0.00 C ATOM 391 CG ASP A 27 -10.299 -5.073 5.650 1.00 0.00 C ATOM 392 OD1 ASP A 27 -10.610 -6.267 5.847 1.00 0.00 O ATOM 393 OD2 ASP A 27 -10.147 -4.245 6.572 1.00 0.00 O ATOM 0 H ASP A 27 -10.327 -5.223 1.657 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.154 -5.172 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.322 -5.219 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.729 -3.582 4.226 1.00 0.00 H new ATOM 398 N THR A 28 -12.676 -2.702 3.892 1.00 0.00 N ATOM 399 CA THR A 28 -13.200 -1.360 3.664 1.00 0.00 C ATOM 400 C THR A 28 -12.097 -0.315 3.801 1.00 0.00 C ATOM 401 O THR A 28 -11.286 -0.374 4.726 1.00 0.00 O ATOM 402 CB THR A 28 -14.330 -1.058 4.648 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.283 -2.106 4.656 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.066 0.229 4.338 1.00 0.00 C ATOM 0 H THR A 28 -12.998 -3.139 4.756 1.00 0.00 H new ATOM 0 HA THR A 28 -13.592 -1.317 2.648 1.00 0.00 H new ATOM 0 HB THR A 28 -13.846 -0.957 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 28 -15.997 -1.894 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.855 0.383 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.368 1.065 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.506 0.166 3.343 1.00 0.00 H new ATOM 412 N ILE A 29 -12.071 0.639 2.876 1.00 0.00 N ATOM 413 CA ILE A 29 -11.066 1.694 2.895 1.00 0.00 C ATOM 414 C ILE A 29 -11.709 3.074 2.841 1.00 0.00 C ATOM 415 O ILE A 29 -12.862 3.219 2.433 1.00 0.00 O ATOM 416 CB ILE A 29 -10.078 1.553 1.721 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.834 1.318 0.413 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.108 0.415 1.984 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.159 1.919 -0.802 1.00 0.00 C ATOM 0 H ILE A 29 -12.735 0.703 2.104 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.521 1.589 3.833 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.511 2.479 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.949 0.245 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.836 1.736 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.416 0.326 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.549 0.617 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.662 -0.517 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.755 1.710 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.068 2.997 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.167 1.483 -0.920 1.00 0.00 H new ATOM 431 N ALA A 30 -10.954 4.087 3.253 1.00 0.00 N ATOM 432 CA ALA A 30 -11.445 5.459 3.251 1.00 0.00 C ATOM 433 C ALA A 30 -10.426 6.401 2.617 1.00 0.00 C ATOM 434 O ALA A 30 -9.385 5.964 2.127 1.00 0.00 O ATOM 435 CB ALA A 30 -11.770 5.906 4.669 1.00 0.00 C ATOM 0 H ALA A 30 -9.998 3.983 3.593 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.357 5.494 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.136 6.933 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.536 5.255 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.871 5.851 5.283 1.00 0.00 H new ATOM 441 N VAL A 31 -10.732 7.694 2.630 1.00 0.00 N ATOM 442 CA VAL A 31 -9.841 8.694 2.054 1.00 0.00 C ATOM 443 C VAL A 31 -8.875 9.243 3.101 1.00 0.00 C ATOM 444 O VAL A 31 -8.608 10.444 3.145 1.00 0.00 O ATOM 445 CB VAL A 31 -10.632 9.864 1.440 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.738 10.700 0.537 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.840 9.346 0.673 1.00 0.00 C ATOM 0 H VAL A 31 -11.589 8.073 3.033 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.274 8.195 1.268 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.988 10.501 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.315 11.521 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.908 11.102 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.349 10.076 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.387 10.186 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.507 8.685 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.492 8.795 1.350 1.00 0.00 H new ATOM 457 N ASP A 32 -8.354 8.353 3.943 1.00 0.00 N ATOM 458 CA ASP A 32 -7.416 8.738 4.995 1.00 0.00 C ATOM 459 C ASP A 32 -7.233 7.598 5.990 1.00 0.00 C ATOM 460 O ASP A 32 -7.715 7.668 7.121 1.00 0.00 O ATOM 461 CB ASP A 32 -7.905 9.992 5.727 1.00 0.00 C ATOM 462 CG ASP A 32 -9.391 9.946 6.022 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.778 9.308 7.023 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.168 10.551 5.253 1.00 0.00 O ATOM 0 H ASP A 32 -8.567 7.356 3.917 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.457 8.958 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.355 10.102 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.684 10.872 5.122 1.00 0.00 H new ATOM 469 N ASP A 33 -6.539 6.546 5.565 1.00 0.00 N ATOM 470 CA ASP A 33 -6.302 5.392 6.424 1.00 0.00 C ATOM 471 C ASP A 33 -4.934 4.780 6.150 1.00 0.00 C ATOM 472 O ASP A 33 -4.648 4.352 5.032 1.00 0.00 O ATOM 473 CB ASP A 33 -7.393 4.342 6.210 1.00 0.00 C ATOM 474 CG ASP A 33 -7.656 4.074 4.742 1.00 0.00 C ATOM 475 OD1 ASP A 33 -6.970 3.204 4.165 1.00 0.00 O ATOM 476 OD2 ASP A 33 -8.549 4.734 4.167 1.00 0.00 O ATOM 0 H ASP A 33 -6.132 6.470 4.633 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.327 5.730 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.101 3.413 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.314 4.677 6.686 1.00 0.00 H new ATOM 481 N THR A 34 -4.090 4.741 7.176 1.00 0.00 N ATOM 482 CA THR A 34 -2.754 4.179 7.037 1.00 0.00 C ATOM 483 C THR A 34 -2.809 2.763 6.489 1.00 0.00 C ATOM 484 O THR A 34 -3.351 1.857 7.121 1.00 0.00 O ATOM 485 CB THR A 34 -2.021 4.189 8.370 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.931 4.127 9.453 1.00 0.00 O ATOM 487 CG2 THR A 34 -1.153 5.413 8.559 1.00 0.00 C ATOM 0 H THR A 34 -4.308 5.091 8.109 1.00 0.00 H new ATOM 0 HA THR A 34 -2.208 4.803 6.330 1.00 0.00 H new ATOM 0 HB THR A 34 -1.381 3.307 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.557 3.386 9.312 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.657 5.361 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.403 5.453 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.773 6.309 8.516 1.00 0.00 H new ATOM 495 N LEU A 35 -2.230 2.584 5.312 1.00 0.00 N ATOM 496 CA LEU A 35 -2.192 1.280 4.667 1.00 0.00 C ATOM 497 C LEU A 35 -0.908 0.556 5.040 1.00 0.00 C ATOM 498 O LEU A 35 -0.897 -0.661 5.223 1.00 0.00 O ATOM 499 CB LEU A 35 -2.287 1.434 3.147 1.00 0.00 C ATOM 500 CG LEU A 35 -3.576 2.086 2.642 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.647 2.022 1.124 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.792 1.415 3.263 1.00 0.00 C ATOM 0 H LEU A 35 -1.778 3.329 4.782 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.044 0.693 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.439 2.027 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.193 0.449 2.691 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.572 3.134 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.570 2.490 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.794 2.549 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.628 0.981 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.699 1.892 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.801 0.359 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.748 1.513 4.348 1.00 0.00 H new ATOM 514 N ILE A 36 0.171 1.323 5.160 1.00 0.00 N ATOM 515 CA ILE A 36 1.471 0.771 5.519 1.00 0.00 C ATOM 516 C ILE A 36 2.391 1.846 6.083 1.00 0.00 C ATOM 517 O ILE A 36 1.996 3.002 6.236 1.00 0.00 O ATOM 518 CB ILE A 36 2.169 0.099 4.309 1.00 0.00 C ATOM 519 CG1 ILE A 36 2.633 1.126 3.252 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.255 -0.933 3.672 1.00 0.00 C ATOM 521 CD1 ILE A 36 1.832 2.407 3.190 1.00 0.00 C ATOM 0 H ILE A 36 0.170 2.332 5.013 1.00 0.00 H new ATOM 0 HA ILE A 36 1.283 0.015 6.281 1.00 0.00 H new ATOM 0 HB ILE A 36 3.061 -0.397 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.675 1.379 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.601 0.651 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.762 -1.394 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.004 -1.699 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.342 -0.447 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.242 3.056 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.793 2.175 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.883 2.915 4.153 1.00 0.00 H new ATOM 533 N THR A 37 3.624 1.459 6.369 1.00 0.00 N ATOM 534 CA THR A 37 4.620 2.382 6.893 1.00 0.00 C ATOM 535 C THR A 37 5.985 2.022 6.336 1.00 0.00 C ATOM 536 O THR A 37 6.976 1.958 7.058 1.00 0.00 O ATOM 537 CB THR A 37 4.636 2.355 8.423 1.00 0.00 C ATOM 538 OG1 THR A 37 3.362 2.694 8.942 1.00 0.00 O ATOM 539 CG2 THR A 37 5.645 3.304 9.028 1.00 0.00 C ATOM 0 H THR A 37 3.961 0.504 6.246 1.00 0.00 H new ATOM 0 HA THR A 37 4.363 3.395 6.582 1.00 0.00 H new ATOM 0 HB THR A 37 4.915 1.336 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.391 2.670 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.604 3.234 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.645 3.039 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.415 4.324 8.721 1.00 0.00 H new ATOM 547 N LEU A 38 6.004 1.782 5.032 1.00 0.00 N ATOM 548 CA LEU A 38 7.213 1.407 4.304 1.00 0.00 C ATOM 549 C LEU A 38 8.440 2.180 4.779 1.00 0.00 C ATOM 550 O LEU A 38 8.323 3.183 5.482 1.00 0.00 O ATOM 551 CB LEU A 38 6.998 1.644 2.814 1.00 0.00 C ATOM 552 CG LEU A 38 6.665 0.393 2.009 1.00 0.00 C ATOM 553 CD1 LEU A 38 5.163 0.159 1.988 1.00 0.00 C ATOM 554 CD2 LEU A 38 7.205 0.517 0.599 1.00 0.00 C ATOM 0 H LEU A 38 5.174 1.842 4.442 1.00 0.00 H new ATOM 0 HA LEU A 38 7.403 0.351 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.191 2.366 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.898 2.097 2.399 1.00 0.00 H new ATOM 0 HG LEU A 38 7.138 -0.465 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.943 -0.738 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.800 0.031 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.668 1.016 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.960 -0.383 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.756 1.383 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.287 0.640 0.633 1.00 0.00 H new ATOM 566 N GLU A 39 9.620 1.700 4.387 1.00 0.00 N ATOM 567 CA GLU A 39 10.870 2.343 4.772 1.00 0.00 C ATOM 568 C GLU A 39 12.062 1.679 4.089 1.00 0.00 C ATOM 569 O GLU A 39 11.952 0.574 3.559 1.00 0.00 O ATOM 570 CB GLU A 39 11.036 2.284 6.290 1.00 0.00 C ATOM 571 CG GLU A 39 12.405 2.727 6.782 1.00 0.00 C ATOM 572 CD GLU A 39 12.514 2.707 8.295 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.514 2.358 8.957 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.598 3.040 8.817 1.00 0.00 O ATOM 0 H GLU A 39 9.734 0.870 3.805 1.00 0.00 H new ATOM 0 HA GLU A 39 10.833 3.384 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.275 2.912 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.854 1.263 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.168 2.075 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.609 3.735 6.420 1.00 0.00 H new ATOM 581 N THR A 40 13.198 2.365 4.109 1.00 0.00 N ATOM 582 CA THR A 40 14.416 1.851 3.497 1.00 0.00 C ATOM 583 C THR A 40 15.524 1.719 4.537 1.00 0.00 C ATOM 584 O THR A 40 15.257 1.649 5.737 1.00 0.00 O ATOM 585 CB THR A 40 14.878 2.777 2.371 1.00 0.00 C ATOM 586 OG1 THR A 40 15.555 3.905 2.897 1.00 0.00 O ATOM 587 CG2 THR A 40 13.754 3.284 1.504 1.00 0.00 C ATOM 0 H THR A 40 13.301 3.282 4.544 1.00 0.00 H new ATOM 0 HA THR A 40 14.199 0.866 3.084 1.00 0.00 H new ATOM 0 HB THR A 40 15.538 2.167 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.845 4.485 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.158 3.934 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.243 2.440 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.047 3.845 2.116 1.00 0.00 H new ATOM 595 N ASP A 41 16.768 1.697 4.071 1.00 0.00 N ATOM 596 CA ASP A 41 17.914 1.587 4.964 1.00 0.00 C ATOM 597 C ASP A 41 18.040 2.837 5.833 1.00 0.00 C ATOM 598 O ASP A 41 18.639 2.799 6.908 1.00 0.00 O ATOM 599 CB ASP A 41 19.197 1.381 4.157 1.00 0.00 C ATOM 600 CG ASP A 41 20.286 0.703 4.964 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.970 -0.261 5.695 1.00 0.00 O ATOM 602 OD2 ASP A 41 21.455 1.133 4.867 1.00 0.00 O ATOM 0 H ASP A 41 17.008 1.754 3.081 1.00 0.00 H new ATOM 0 HA ASP A 41 17.761 0.725 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.975 0.780 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.559 2.346 3.803 1.00 0.00 H new ATOM 607 N LYS A 42 17.470 3.943 5.360 1.00 0.00 N ATOM 608 CA LYS A 42 17.517 5.203 6.093 1.00 0.00 C ATOM 609 C LYS A 42 16.463 6.175 5.572 1.00 0.00 C ATOM 610 O LYS A 42 16.776 7.303 5.193 1.00 0.00 O ATOM 611 CB LYS A 42 18.907 5.831 5.981 1.00 0.00 C ATOM 612 CG LYS A 42 19.152 6.951 6.979 1.00 0.00 C ATOM 613 CD LYS A 42 19.677 6.414 8.301 1.00 0.00 C ATOM 614 CE LYS A 42 18.664 6.598 9.419 1.00 0.00 C ATOM 615 NZ LYS A 42 18.802 5.553 10.472 1.00 0.00 N ATOM 0 H LYS A 42 16.970 3.991 4.472 1.00 0.00 H new ATOM 0 HA LYS A 42 17.305 4.993 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.659 5.056 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 42 19.040 6.220 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 19.868 7.660 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.224 7.497 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.916 5.356 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.604 6.926 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.793 7.583 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.656 6.565 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.093 5.714 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.654 4.614 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.755 5.601 10.886 1.00 0.00 H new ATOM 629 N ALA A 43 15.211 5.728 5.557 1.00 0.00 N ATOM 630 CA ALA A 43 14.106 6.556 5.083 1.00 0.00 C ATOM 631 C ALA A 43 12.780 5.814 5.201 1.00 0.00 C ATOM 632 O ALA A 43 12.552 4.817 4.516 1.00 0.00 O ATOM 633 CB ALA A 43 14.348 6.985 3.643 1.00 0.00 C ATOM 0 H ALA A 43 14.936 4.796 5.868 1.00 0.00 H new ATOM 0 HA ALA A 43 14.053 7.446 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.516 7.602 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.273 7.559 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.428 6.102 3.009 1.00 0.00 H new ATOM 639 N THR A 44 11.910 6.302 6.080 1.00 0.00 N ATOM 640 CA THR A 44 10.608 5.677 6.293 1.00 0.00 C ATOM 641 C THR A 44 9.513 6.408 5.523 1.00 0.00 C ATOM 642 O THR A 44 9.519 7.636 5.427 1.00 0.00 O ATOM 643 CB THR A 44 10.268 5.656 7.784 1.00 0.00 C ATOM 644 OG1 THR A 44 9.674 6.880 8.181 1.00 0.00 O ATOM 645 CG2 THR A 44 11.473 5.422 8.671 1.00 0.00 C ATOM 0 H THR A 44 12.082 7.126 6.655 1.00 0.00 H new ATOM 0 HA THR A 44 10.663 4.654 5.922 1.00 0.00 H new ATOM 0 HB THR A 44 9.577 4.822 7.910 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.463 6.846 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.161 5.419 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.925 4.461 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.201 6.217 8.512 1.00 0.00 H new ATOM 653 N MET A 45 8.573 5.642 4.977 1.00 0.00 N ATOM 654 CA MET A 45 7.467 6.212 4.217 1.00 0.00 C ATOM 655 C MET A 45 6.177 5.435 4.460 1.00 0.00 C ATOM 656 O MET A 45 6.158 4.208 4.382 1.00 0.00 O ATOM 657 CB MET A 45 7.795 6.217 2.725 1.00 0.00 C ATOM 658 CG MET A 45 7.546 7.561 2.060 1.00 0.00 C ATOM 659 SD MET A 45 5.891 8.198 2.383 1.00 0.00 S ATOM 660 CE MET A 45 6.186 9.963 2.307 1.00 0.00 C ATOM 0 H MET A 45 8.556 4.625 5.047 1.00 0.00 H new ATOM 0 HA MET A 45 7.321 7.238 4.556 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.840 5.940 2.589 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.196 5.456 2.226 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.284 8.280 2.415 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.690 7.462 0.984 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.253 10.496 2.487 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.916 10.243 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.569 10.226 1.321 1.00 0.00 H new ATOM 670 N ASP A 46 5.103 6.159 4.752 1.00 0.00 N ATOM 671 CA ASP A 46 3.807 5.539 5.003 1.00 0.00 C ATOM 672 C ASP A 46 2.765 6.042 4.008 1.00 0.00 C ATOM 673 O ASP A 46 3.034 6.948 3.220 1.00 0.00 O ATOM 674 CB ASP A 46 3.346 5.832 6.433 1.00 0.00 C ATOM 675 CG ASP A 46 3.115 7.311 6.674 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.105 7.844 6.171 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.946 7.935 7.367 1.00 0.00 O ATOM 0 H ASP A 46 5.104 7.177 4.821 1.00 0.00 H new ATOM 0 HA ASP A 46 3.916 4.462 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.424 5.286 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.094 5.465 7.136 1.00 0.00 H new ATOM 682 N VAL A 47 1.575 5.450 4.052 1.00 0.00 N ATOM 683 CA VAL A 47 0.496 5.846 3.155 1.00 0.00 C ATOM 684 C VAL A 47 -0.860 5.774 3.858 1.00 0.00 C ATOM 685 O VAL A 47 -1.299 4.694 4.264 1.00 0.00 O ATOM 686 CB VAL A 47 0.456 4.963 1.886 1.00 0.00 C ATOM 687 CG1 VAL A 47 -0.739 5.323 1.010 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.755 5.099 1.105 1.00 0.00 C ATOM 0 H VAL A 47 1.335 4.697 4.697 1.00 0.00 H new ATOM 0 HA VAL A 47 0.696 6.876 2.860 1.00 0.00 H new ATOM 0 HB VAL A 47 0.345 3.924 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.745 4.688 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.661 5.171 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.667 6.368 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.712 4.472 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.895 6.139 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.590 4.784 1.730 1.00 0.00 H new ATOM 698 N PRO A 48 -1.544 6.926 4.008 1.00 0.00 N ATOM 699 CA PRO A 48 -2.848 7.001 4.651 1.00 0.00 C ATOM 700 C PRO A 48 -3.989 6.843 3.653 1.00 0.00 C ATOM 701 O PRO A 48 -5.026 7.493 3.775 1.00 0.00 O ATOM 702 CB PRO A 48 -2.839 8.411 5.229 1.00 0.00 C ATOM 703 CG PRO A 48 -2.058 9.212 4.239 1.00 0.00 C ATOM 704 CD PRO A 48 -1.099 8.259 3.559 1.00 0.00 C ATOM 0 HA PRO A 48 -3.005 6.212 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.851 8.800 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.374 8.434 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.721 9.677 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.515 10.016 4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.146 8.351 2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.067 8.455 3.851 1.00 0.00 H new ATOM 712 N ALA A 49 -3.788 5.982 2.661 1.00 0.00 N ATOM 713 CA ALA A 49 -4.801 5.750 1.640 1.00 0.00 C ATOM 714 C ALA A 49 -5.158 7.051 0.929 1.00 0.00 C ATOM 715 O ALA A 49 -4.897 8.139 1.440 1.00 0.00 O ATOM 716 CB ALA A 49 -6.042 5.125 2.259 1.00 0.00 C ATOM 0 H ALA A 49 -2.935 5.435 2.543 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.393 5.059 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.790 4.957 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.778 4.173 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.448 5.796 3.016 1.00 0.00 H new ATOM 722 N GLU A 50 -5.753 6.933 -0.253 1.00 0.00 N ATOM 723 CA GLU A 50 -6.140 8.105 -1.028 1.00 0.00 C ATOM 724 C GLU A 50 -7.496 7.908 -1.673 1.00 0.00 C ATOM 725 O GLU A 50 -7.731 8.360 -2.793 1.00 0.00 O ATOM 726 CB GLU A 50 -5.090 8.408 -2.099 1.00 0.00 C ATOM 727 CG GLU A 50 -4.002 9.360 -1.632 1.00 0.00 C ATOM 728 CD GLU A 50 -2.652 9.047 -2.246 1.00 0.00 C ATOM 729 OE1 GLU A 50 -2.387 7.858 -2.524 1.00 0.00 O ATOM 730 OE2 GLU A 50 -1.859 9.991 -2.450 1.00 0.00 O ATOM 0 H GLU A 50 -5.977 6.041 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.205 8.952 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.630 7.473 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.585 8.835 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.285 10.382 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.923 9.312 -0.546 1.00 0.00 H new ATOM 737 N VAL A 51 -8.387 7.215 -0.967 1.00 0.00 N ATOM 738 CA VAL A 51 -9.724 6.940 -1.485 1.00 0.00 C ATOM 739 C VAL A 51 -10.401 5.843 -0.660 1.00 0.00 C ATOM 740 O VAL A 51 -9.733 4.997 -0.069 1.00 0.00 O ATOM 741 CB VAL A 51 -9.653 6.515 -2.979 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.429 5.643 -3.216 1.00 0.00 C ATOM 743 CG2 VAL A 51 -10.924 5.805 -3.439 1.00 0.00 C ATOM 0 H VAL A 51 -8.208 6.835 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.315 7.853 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.566 7.422 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.388 5.351 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.529 6.202 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.492 4.751 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.826 5.528 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.077 4.908 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.778 6.472 -3.318 1.00 0.00 H new ATOM 753 N ALA A 52 -11.730 5.862 -0.641 1.00 0.00 N ATOM 754 CA ALA A 52 -12.501 4.866 0.092 1.00 0.00 C ATOM 755 C ALA A 52 -12.710 3.631 -0.769 1.00 0.00 C ATOM 756 O ALA A 52 -12.050 3.472 -1.790 1.00 0.00 O ATOM 757 CB ALA A 52 -13.847 5.438 0.500 1.00 0.00 C ATOM 0 H ALA A 52 -12.296 6.558 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.947 4.589 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.412 4.683 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.694 6.309 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.402 5.733 -0.391 1.00 0.00 H new ATOM 763 N GLY A 53 -13.638 2.768 -0.363 1.00 0.00 N ATOM 764 CA GLY A 53 -13.921 1.574 -1.142 1.00 0.00 C ATOM 765 C GLY A 53 -13.497 0.288 -0.462 1.00 0.00 C ATOM 766 O GLY A 53 -13.368 0.229 0.760 1.00 0.00 O ATOM 0 H GLY A 53 -14.195 2.872 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.991 1.530 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.414 1.650 -2.104 1.00 0.00 H new ATOM 770 N VAL A 54 -13.289 -0.751 -1.268 1.00 0.00 N ATOM 771 CA VAL A 54 -12.886 -2.058 -0.762 1.00 0.00 C ATOM 772 C VAL A 54 -11.786 -2.659 -1.631 1.00 0.00 C ATOM 773 O VAL A 54 -11.880 -2.642 -2.858 1.00 0.00 O ATOM 774 CB VAL A 54 -14.080 -3.029 -0.733 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.653 -4.396 -0.219 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.208 -2.461 0.115 1.00 0.00 C ATOM 0 H VAL A 54 -13.394 -0.710 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.512 -1.913 0.252 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.446 -3.152 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.513 -5.065 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.883 -4.806 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.256 -4.297 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.044 -3.161 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -14.854 -2.305 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.535 -1.510 -0.305 1.00 0.00 H new ATOM 786 N VAL A 55 -10.743 -3.192 -0.995 1.00 0.00 N ATOM 787 CA VAL A 55 -9.637 -3.791 -1.732 1.00 0.00 C ATOM 788 C VAL A 55 -10.062 -5.070 -2.437 1.00 0.00 C ATOM 789 O VAL A 55 -10.878 -5.839 -1.928 1.00 0.00 O ATOM 790 CB VAL A 55 -8.428 -4.106 -0.830 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.291 -4.715 -1.651 1.00 0.00 C ATOM 792 CG2 VAL A 55 -7.957 -2.850 -0.113 1.00 0.00 C ATOM 0 H VAL A 55 -10.643 -3.220 0.020 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.339 -3.045 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.738 -4.834 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.446 -4.931 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.634 -5.638 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.982 -4.011 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.103 -3.091 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.665 -2.100 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.766 -2.458 0.504 1.00 0.00 H new ATOM 802 N LYS A 56 -9.480 -5.293 -3.603 1.00 0.00 N ATOM 803 CA LYS A 56 -9.756 -6.480 -4.397 1.00 0.00 C ATOM 804 C LYS A 56 -8.483 -7.279 -4.558 1.00 0.00 C ATOM 805 O LYS A 56 -8.475 -8.503 -4.433 1.00 0.00 O ATOM 806 CB LYS A 56 -10.288 -6.124 -5.792 1.00 0.00 C ATOM 807 CG LYS A 56 -10.561 -4.643 -6.010 1.00 0.00 C ATOM 808 CD LYS A 56 -11.932 -4.245 -5.488 1.00 0.00 C ATOM 809 CE LYS A 56 -13.044 -4.824 -6.349 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.084 -5.505 -5.530 1.00 0.00 N ATOM 0 H LYS A 56 -8.804 -4.658 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.518 -7.058 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.567 -6.460 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.210 -6.679 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.794 -4.053 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.495 -4.413 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.047 -4.592 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.014 -3.158 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.505 -4.026 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.620 -5.533 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.952 -5.614 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.739 -6.442 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.288 -4.935 -4.685 1.00 0.00 H new ATOM 824 N GLU A 57 -7.404 -6.568 -4.858 1.00 0.00 N ATOM 825 CA GLU A 57 -6.122 -7.202 -5.058 1.00 0.00 C ATOM 826 C GLU A 57 -5.137 -6.842 -3.949 1.00 0.00 C ATOM 827 O GLU A 57 -5.432 -6.021 -3.080 1.00 0.00 O ATOM 828 CB GLU A 57 -5.544 -6.818 -6.421 1.00 0.00 C ATOM 829 CG GLU A 57 -5.862 -7.820 -7.519 1.00 0.00 C ATOM 830 CD GLU A 57 -5.215 -9.170 -7.282 1.00 0.00 C ATOM 831 OE1 GLU A 57 -3.973 -9.220 -7.162 1.00 0.00 O ATOM 832 OE2 GLU A 57 -5.951 -10.177 -7.215 1.00 0.00 O ATOM 0 H GLU A 57 -7.398 -5.554 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.280 -8.280 -5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.931 -5.841 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.462 -6.719 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.942 -7.946 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.525 -7.423 -8.477 1.00 0.00 H new ATOM 839 N VAL A 58 -3.967 -7.468 -3.992 1.00 0.00 N ATOM 840 CA VAL A 58 -2.925 -7.232 -2.999 1.00 0.00 C ATOM 841 C VAL A 58 -1.647 -7.966 -3.382 1.00 0.00 C ATOM 842 O VAL A 58 -1.689 -9.115 -3.818 1.00 0.00 O ATOM 843 CB VAL A 58 -3.368 -7.699 -1.603 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.622 -9.198 -1.601 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.325 -7.325 -0.561 1.00 0.00 C ATOM 0 H VAL A 58 -3.715 -8.148 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.740 -6.158 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.300 -7.195 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.935 -9.513 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.406 -9.435 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.707 -9.722 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.655 -7.663 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.376 -7.801 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.196 -6.243 -0.548 1.00 0.00 H new ATOM 855 N LYS A 59 -0.513 -7.299 -3.216 1.00 0.00 N ATOM 856 CA LYS A 59 0.773 -7.892 -3.546 1.00 0.00 C ATOM 857 C LYS A 59 1.872 -7.268 -2.701 1.00 0.00 C ATOM 858 O LYS A 59 2.893 -6.815 -3.219 1.00 0.00 O ATOM 859 CB LYS A 59 1.074 -7.704 -5.033 1.00 0.00 C ATOM 860 CG LYS A 59 0.089 -8.422 -5.939 1.00 0.00 C ATOM 861 CD LYS A 59 -1.102 -7.540 -6.278 1.00 0.00 C ATOM 862 CE LYS A 59 -0.893 -6.804 -7.590 1.00 0.00 C ATOM 863 NZ LYS A 59 0.451 -6.167 -7.663 1.00 0.00 N ATOM 0 H LYS A 59 -0.459 -6.347 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 59 0.733 -8.960 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.064 -6.640 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.080 -8.067 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.592 -8.725 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.259 -9.333 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.002 -8.151 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.262 -6.819 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.009 -7.501 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.663 -6.041 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.606 -5.792 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.505 -5.390 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.182 -6.874 -7.445 1.00 0.00 H new ATOM 877 N VAL A 60 1.646 -7.241 -1.395 1.00 0.00 N ATOM 878 CA VAL A 60 2.602 -6.663 -0.466 1.00 0.00 C ATOM 879 C VAL A 60 2.447 -7.262 0.926 1.00 0.00 C ATOM 880 O VAL A 60 1.437 -7.896 1.232 1.00 0.00 O ATOM 881 CB VAL A 60 2.422 -5.139 -0.380 1.00 0.00 C ATOM 882 CG1 VAL A 60 2.745 -4.492 -1.716 1.00 0.00 C ATOM 883 CG2 VAL A 60 1.007 -4.797 0.061 1.00 0.00 C ATOM 0 H VAL A 60 0.805 -7.615 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 60 3.599 -6.891 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 60 3.115 -4.746 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.613 -3.413 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.777 -4.713 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.077 -4.886 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.895 -3.714 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.294 -5.199 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.816 -5.233 1.042 1.00 0.00 H new ATOM 893 N LYS A 61 3.455 -7.058 1.766 1.00 0.00 N ATOM 894 CA LYS A 61 3.431 -7.578 3.125 1.00 0.00 C ATOM 895 C LYS A 61 4.588 -7.017 3.942 1.00 0.00 C ATOM 896 O LYS A 61 5.676 -6.785 3.416 1.00 0.00 O ATOM 897 CB LYS A 61 3.497 -9.106 3.112 1.00 0.00 C ATOM 898 CG LYS A 61 3.354 -9.734 4.488 1.00 0.00 C ATOM 899 CD LYS A 61 2.020 -10.446 4.640 1.00 0.00 C ATOM 900 CE LYS A 61 2.165 -11.738 5.430 1.00 0.00 C ATOM 901 NZ LYS A 61 1.304 -12.823 4.884 1.00 0.00 N ATOM 0 H LYS A 61 4.299 -6.536 1.529 1.00 0.00 H new ATOM 0 HA LYS A 61 2.495 -7.266 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.709 -9.490 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.447 -9.416 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.166 -10.442 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.445 -8.962 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.311 -9.789 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.609 -10.665 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.207 -12.058 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.904 -11.557 6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.432 -13.686 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.307 -12.528 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.570 -13.014 3.897 1.00 0.00 H new ATOM 915 N VAL A 62 4.345 -6.802 5.229 1.00 0.00 N ATOM 916 CA VAL A 62 5.367 -6.267 6.122 1.00 0.00 C ATOM 917 C VAL A 62 6.622 -7.134 6.102 1.00 0.00 C ATOM 918 O VAL A 62 6.785 -8.029 6.932 1.00 0.00 O ATOM 919 CB VAL A 62 4.849 -6.162 7.568 1.00 0.00 C ATOM 920 CG1 VAL A 62 4.393 -7.522 8.074 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.919 -5.577 8.478 1.00 0.00 C ATOM 0 H VAL A 62 3.449 -6.990 5.679 1.00 0.00 H new ATOM 0 HA VAL A 62 5.614 -5.269 5.760 1.00 0.00 H new ATOM 0 HB VAL A 62 3.990 -5.491 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.031 -7.427 9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.591 -7.896 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.231 -8.219 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.534 -5.510 9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.799 -6.219 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.191 -4.581 8.127 1.00 0.00 H new ATOM 931 N GLY A 63 7.507 -6.862 5.147 1.00 0.00 N ATOM 932 CA GLY A 63 8.736 -7.625 5.033 1.00 0.00 C ATOM 933 C GLY A 63 8.894 -8.272 3.669 1.00 0.00 C ATOM 934 O GLY A 63 8.930 -9.497 3.557 1.00 0.00 O ATOM 0 H GLY A 63 7.394 -6.126 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.586 -6.969 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.753 -8.397 5.802 1.00 0.00 H new ATOM 938 N ASP A 64 8.987 -7.447 2.630 1.00 0.00 N ATOM 939 CA ASP A 64 9.140 -7.948 1.268 1.00 0.00 C ATOM 940 C ASP A 64 9.856 -6.926 0.388 1.00 0.00 C ATOM 941 O ASP A 64 10.195 -5.832 0.839 1.00 0.00 O ATOM 942 CB ASP A 64 7.771 -8.289 0.671 1.00 0.00 C ATOM 943 CG ASP A 64 6.952 -7.055 0.342 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.351 -6.306 -0.574 1.00 0.00 O ATOM 945 OD2 ASP A 64 5.913 -6.839 0.999 1.00 0.00 O ATOM 0 H ASP A 64 8.959 -6.430 2.705 1.00 0.00 H new ATOM 0 HA ASP A 64 9.747 -8.853 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.911 -8.879 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.217 -8.911 1.374 1.00 0.00 H new ATOM 950 N LYS A 65 10.077 -7.289 -0.871 1.00 0.00 N ATOM 951 CA LYS A 65 10.748 -6.403 -1.815 1.00 0.00 C ATOM 952 C LYS A 65 9.727 -5.612 -2.627 1.00 0.00 C ATOM 953 O LYS A 65 8.981 -6.179 -3.424 1.00 0.00 O ATOM 954 CB LYS A 65 11.656 -7.205 -2.748 1.00 0.00 C ATOM 955 CG LYS A 65 13.118 -7.182 -2.334 1.00 0.00 C ATOM 956 CD LYS A 65 13.611 -8.568 -1.953 1.00 0.00 C ATOM 957 CE LYS A 65 15.044 -8.794 -2.407 1.00 0.00 C ATOM 958 NZ LYS A 65 15.285 -10.209 -2.802 1.00 0.00 N ATOM 0 H LYS A 65 9.801 -8.190 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 65 11.361 -5.701 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.311 -8.238 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.566 -6.809 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.723 -6.792 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.248 -6.504 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.547 -8.694 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.963 -9.322 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.265 -8.139 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.727 -8.520 -1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.274 -10.321 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.099 -10.832 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.651 -10.463 -3.587 1.00 0.00 H new ATOM 972 N ILE A 66 9.692 -4.300 -2.412 1.00 0.00 N ATOM 973 CA ILE A 66 8.753 -3.439 -3.118 1.00 0.00 C ATOM 974 C ILE A 66 9.475 -2.285 -3.820 1.00 0.00 C ATOM 975 O ILE A 66 10.641 -2.007 -3.543 1.00 0.00 O ATOM 976 CB ILE A 66 7.649 -2.922 -2.140 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.271 -3.319 -2.666 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.713 -1.415 -1.888 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.023 -4.807 -2.584 1.00 0.00 C ATOM 0 H ILE A 66 10.302 -3.812 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 66 8.265 -4.027 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 66 7.833 -3.395 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.504 -2.795 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.175 -2.995 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.918 -1.127 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.679 -1.160 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.588 -0.883 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.029 -5.032 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.771 -5.334 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.090 -5.130 -1.545 1.00 0.00 H new ATOM 991 N SER A 67 8.767 -1.619 -4.729 1.00 0.00 N ATOM 992 CA SER A 67 9.332 -0.497 -5.469 1.00 0.00 C ATOM 993 C SER A 67 8.259 0.540 -5.792 1.00 0.00 C ATOM 994 O SER A 67 7.124 0.194 -6.118 1.00 0.00 O ATOM 995 CB SER A 67 9.983 -0.991 -6.761 1.00 0.00 C ATOM 996 OG SER A 67 9.047 -1.029 -7.824 1.00 0.00 O ATOM 0 H SER A 67 7.800 -1.838 -4.970 1.00 0.00 H new ATOM 0 HA SER A 67 10.090 -0.026 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.813 -0.336 -7.027 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.400 -1.986 -6.604 1.00 0.00 H new ATOM 0 HG SER A 67 9.490 -1.347 -8.639 1.00 0.00 H new ATOM 1002 N GLU A 68 8.630 1.817 -5.700 1.00 0.00 N ATOM 1003 CA GLU A 68 7.707 2.917 -5.985 1.00 0.00 C ATOM 1004 C GLU A 68 6.881 2.631 -7.238 1.00 0.00 C ATOM 1005 O GLU A 68 7.402 2.650 -8.353 1.00 0.00 O ATOM 1006 CB GLU A 68 8.483 4.223 -6.165 1.00 0.00 C ATOM 1007 CG GLU A 68 9.522 4.469 -5.083 1.00 0.00 C ATOM 1008 CD GLU A 68 10.048 5.890 -5.094 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.360 6.400 -6.190 1.00 0.00 O ATOM 1010 OE2 GLU A 68 10.151 6.493 -4.004 1.00 0.00 O ATOM 0 H GLU A 68 9.567 2.117 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 68 7.027 3.014 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.978 4.211 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.779 5.055 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.084 4.255 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.353 3.777 -5.218 1.00 0.00 H new ATOM 1017 N GLY A 69 5.593 2.367 -7.045 1.00 0.00 N ATOM 1018 CA GLY A 69 4.720 2.082 -8.168 1.00 0.00 C ATOM 1019 C GLY A 69 4.778 0.631 -8.601 1.00 0.00 C ATOM 1020 O GLY A 69 5.304 0.317 -9.670 1.00 0.00 O ATOM 0 H GLY A 69 5.139 2.345 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.695 2.336 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.996 2.719 -9.008 1.00 0.00 H new ATOM 1024 N GLY A 70 4.234 -0.259 -7.774 1.00 0.00 N ATOM 1025 CA GLY A 70 4.236 -1.671 -8.107 1.00 0.00 C ATOM 1026 C GLY A 70 2.840 -2.265 -8.150 1.00 0.00 C ATOM 1027 O GLY A 70 2.680 -3.485 -8.209 1.00 0.00 O ATOM 0 H GLY A 70 3.794 -0.027 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.716 -1.811 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.834 -2.212 -7.374 1.00 0.00 H new ATOM 1031 N LEU A 71 1.826 -1.405 -8.107 1.00 0.00 N ATOM 1032 CA LEU A 71 0.439 -1.855 -8.128 1.00 0.00 C ATOM 1033 C LEU A 71 0.164 -2.743 -6.928 1.00 0.00 C ATOM 1034 O LEU A 71 -0.394 -3.834 -7.051 1.00 0.00 O ATOM 1035 CB LEU A 71 0.125 -2.607 -9.422 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.332 -3.054 -9.568 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.281 -1.942 -9.138 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.618 -3.477 -11.001 1.00 0.00 C ATOM 0 H LEU A 71 1.940 -0.393 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.206 -0.978 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.381 -1.969 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.767 -3.486 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.495 -3.913 -8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.311 -2.280 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.094 -1.687 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.118 -1.063 -9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.658 -3.792 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.437 -2.637 -11.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.965 -4.306 -11.273 1.00 0.00 H new ATOM 1050 N ILE A 72 0.572 -2.261 -5.767 1.00 0.00 N ATOM 1051 CA ILE A 72 0.396 -2.985 -4.521 1.00 0.00 C ATOM 1052 C ILE A 72 -1.024 -3.538 -4.383 1.00 0.00 C ATOM 1053 O ILE A 72 -1.273 -4.703 -4.692 1.00 0.00 O ATOM 1054 CB ILE A 72 0.741 -2.072 -3.333 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.234 -1.758 -3.366 1.00 0.00 C ATOM 1056 CG2 ILE A 72 0.349 -2.712 -2.004 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.697 -0.891 -2.227 1.00 0.00 C ATOM 0 H ILE A 72 1.034 -1.358 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 72 1.075 -3.838 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 72 0.171 -1.147 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.793 -2.694 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.471 -1.262 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.607 -2.039 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.725 -2.901 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.884 -3.654 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.768 -0.711 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.166 0.060 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.493 -1.393 -1.281 1.00 0.00 H new ATOM 1069 N VAL A 73 -1.947 -2.706 -3.915 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.331 -3.136 -3.740 1.00 0.00 C ATOM 1071 C VAL A 73 -4.286 -2.323 -4.608 1.00 0.00 C ATOM 1072 O VAL A 73 -3.968 -1.218 -5.038 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.771 -3.028 -2.266 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -2.877 -3.877 -1.376 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.767 -1.578 -1.809 1.00 0.00 C ATOM 0 H VAL A 73 -1.766 -1.737 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.374 -4.180 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.790 -3.406 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.204 -3.787 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.939 -4.920 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.846 -3.533 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.080 -1.524 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.762 -1.168 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.456 -1.000 -2.425 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.463 -2.887 -4.857 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.486 -2.232 -5.668 1.00 0.00 C ATOM 1087 C VAL A 74 -7.829 -2.285 -4.951 1.00 0.00 C ATOM 1088 O VAL A 74 -8.152 -3.283 -4.312 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.616 -2.910 -7.047 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.701 -2.248 -7.881 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.283 -2.889 -7.779 1.00 0.00 C ATOM 0 H VAL A 74 -5.735 -3.805 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.187 -1.194 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.905 -3.949 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.771 -2.746 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.657 -2.326 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.454 -1.197 -8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.394 -3.372 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.962 -1.857 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.537 -3.423 -7.191 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.602 -1.207 -5.036 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.891 -1.156 -4.368 1.00 0.00 C ATOM 1103 C VAL A 75 -11.038 -0.900 -5.338 1.00 0.00 C ATOM 1104 O VAL A 75 -10.838 -0.785 -6.547 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.898 -0.069 -3.287 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.944 -0.428 -2.159 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.539 1.278 -3.892 1.00 0.00 C ATOM 0 H VAL A 75 -8.358 -0.365 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.042 -2.135 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.902 -0.001 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.964 0.356 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.250 -1.373 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.933 -0.525 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.548 2.041 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.545 1.224 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.266 1.537 -4.661 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.244 -0.811 -4.784 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.446 -0.568 -5.572 1.00 0.00 C ATOM 1119 C GLU A 76 -13.785 0.918 -5.584 1.00 0.00 C ATOM 1120 O GLU A 76 -14.398 1.421 -6.526 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.619 -1.369 -5.001 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.219 -2.357 -5.988 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.735 -2.321 -6.000 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.342 -2.490 -4.921 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.316 -2.123 -7.088 1.00 0.00 O ATOM 0 H GLU A 76 -12.414 -0.905 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.260 -0.890 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.282 -1.911 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.396 -0.677 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.846 -2.137 -6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.885 -3.364 -5.737 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.376 1.614 -4.530 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.624 3.042 -4.405 1.00 0.00 C ATOM 1134 C ALA A 77 -15.110 3.347 -4.290 1.00 0.00 C ATOM 1135 O ALA A 77 -15.858 3.241 -5.262 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.998 3.785 -5.567 1.00 0.00 C ATOM 0 H ALA A 77 -12.867 1.207 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.158 3.387 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.190 4.853 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.922 3.609 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.430 3.429 -6.502 1.00 0.00 H new