USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 1 SER N :NH3+ 153:sc= -1.04 (180deg=-2.44!) USER MOD Single : A 1 SER OG : rot 169:sc= 0.776 USER MOD Single : A 2 ASN : amide:sc= 0.636 K(o=0.64,f=-1.1) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.23) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= 1.16 (180deg=0.978) USER MOD Single : A 19 SER OG : rot -130:sc= 0.2 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.14 (180deg=0.138) USER MOD Single : A 34 SER OG : rot 180:sc= 0.109 USER MOD Single : A 41 GLN : amide:sc= 0.972 K(o=0.97,f=-6.7!) USER MOD Single : A 42 SER OG : rot -172:sc= 1.13 USER MOD Single : A 44 GLN : amide:sc= 0.0233 K(o=0.023,f=-5.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.28! C(o=-1.3!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.123 -10.202 1.976 1.00 0.00 N ATOM 2 CA SER A 1 -13.981 -8.796 2.193 1.00 0.00 C ATOM 3 C SER A 1 -14.255 -8.017 0.910 1.00 0.00 C ATOM 4 O SER A 1 -15.164 -7.197 0.887 1.00 0.00 O ATOM 5 CB SER A 1 -12.604 -8.525 2.773 1.00 0.00 C ATOM 6 OG SER A 1 -12.442 -9.308 3.955 1.00 0.00 O ATOM 0 H1 SER A 1 -13.526 -10.720 2.652 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.117 -10.476 2.112 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.830 -10.435 1.006 1.00 0.00 H new ATOM 0 HA SER A 1 -14.722 -8.449 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.832 -8.775 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.493 -7.465 3.004 1.00 0.00 H new ATOM 0 HG SER A 1 -11.504 -9.285 4.237 1.00 0.00 H new ATOM 14 N ASN A 2 -13.523 -8.303 -0.163 1.00 0.00 N ATOM 15 CA ASN A 2 -13.740 -7.605 -1.440 1.00 0.00 C ATOM 16 C ASN A 2 -13.074 -8.361 -2.555 1.00 0.00 C ATOM 17 O ASN A 2 -12.276 -9.265 -2.305 1.00 0.00 O ATOM 18 CB ASN A 2 -13.193 -6.143 -1.427 1.00 0.00 C ATOM 19 CG ASN A 2 -11.663 -6.034 -1.372 1.00 0.00 C ATOM 20 OD1 ASN A 2 -10.973 -6.860 -0.779 1.00 0.00 O ATOM 21 ND2 ASN A 2 -11.123 -5.008 -1.991 1.00 0.00 N ATOM 0 H ASN A 2 -12.782 -9.003 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 2 -14.818 -7.558 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -13.549 -5.628 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.613 -5.620 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.111 -4.884 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -11.716 -4.335 -2.477 1.00 0.00 H new ATOM 28 N ALA A 3 -13.412 -8.035 -3.763 1.00 0.00 N ATOM 29 CA ALA A 3 -12.754 -8.604 -4.896 1.00 0.00 C ATOM 30 C ALA A 3 -11.697 -7.643 -5.405 1.00 0.00 C ATOM 31 O ALA A 3 -10.494 -7.915 -5.318 1.00 0.00 O ATOM 32 CB ALA A 3 -13.746 -8.992 -5.990 1.00 0.00 C ATOM 0 H ALA A 3 -14.150 -7.369 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.263 -9.527 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.207 -9.421 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.451 -9.726 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.290 -8.106 -6.319 1.00 0.00 H new ATOM 38 N MET A 4 -12.141 -6.529 -5.912 1.00 0.00 N ATOM 39 CA MET A 4 -11.273 -5.492 -6.438 1.00 0.00 C ATOM 40 C MET A 4 -11.745 -4.108 -5.983 1.00 0.00 C ATOM 41 O MET A 4 -11.118 -3.087 -6.294 1.00 0.00 O ATOM 42 CB MET A 4 -11.284 -5.535 -7.962 1.00 0.00 C ATOM 43 CG MET A 4 -10.779 -6.829 -8.576 1.00 0.00 C ATOM 44 SD MET A 4 -10.755 -6.782 -10.380 1.00 0.00 S ATOM 45 CE MET A 4 -10.191 -8.441 -10.756 1.00 0.00 C ATOM 0 H MET A 4 -13.134 -6.303 -5.977 1.00 0.00 H new ATOM 0 HA MET A 4 -10.265 -5.669 -6.063 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.303 -5.361 -8.307 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.676 -4.712 -8.337 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.773 -7.032 -8.209 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.411 -7.654 -8.247 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.125 -8.567 -11.837 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.209 -8.601 -10.311 1.00 0.00 H new ATOM 0 HE3 MET A 4 -10.896 -9.166 -10.349 1.00 0.00 H new ATOM 55 N GLU A 5 -12.856 -4.102 -5.273 1.00 0.00 N ATOM 56 CA GLU A 5 -13.539 -2.915 -4.798 1.00 0.00 C ATOM 57 C GLU A 5 -12.631 -2.026 -3.983 1.00 0.00 C ATOM 58 O GLU A 5 -11.907 -2.480 -3.087 1.00 0.00 O ATOM 59 CB GLU A 5 -14.791 -3.258 -3.952 1.00 0.00 C ATOM 60 CG GLU A 5 -15.833 -4.175 -4.617 1.00 0.00 C ATOM 61 CD GLU A 5 -15.355 -5.601 -4.755 1.00 0.00 C ATOM 62 OE1 GLU A 5 -15.509 -6.373 -3.816 1.00 0.00 O ATOM 63 OE2 GLU A 5 -14.743 -5.937 -5.780 1.00 0.00 O ATOM 0 H GLU A 5 -13.328 -4.964 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.852 -2.381 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.460 -3.731 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.283 -2.326 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.751 -4.160 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.079 -3.782 -5.603 1.00 0.00 H new ATOM 70 N LEU A 6 -12.681 -0.776 -4.296 1.00 0.00 N ATOM 71 CA LEU A 6 -11.906 0.222 -3.614 1.00 0.00 C ATOM 72 C LEU A 6 -12.725 0.863 -2.522 1.00 0.00 C ATOM 73 O LEU A 6 -13.492 1.775 -2.773 1.00 0.00 O ATOM 74 CB LEU A 6 -11.398 1.295 -4.577 1.00 0.00 C ATOM 75 CG LEU A 6 -10.430 0.836 -5.669 1.00 0.00 C ATOM 76 CD1 LEU A 6 -10.116 1.984 -6.614 1.00 0.00 C ATOM 77 CD2 LEU A 6 -9.149 0.306 -5.050 1.00 0.00 C ATOM 0 H LEU A 6 -13.268 -0.406 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.041 -0.276 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.260 1.756 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.907 2.072 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.904 0.035 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.426 1.642 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.037 2.334 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.659 2.801 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.470 -0.017 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.675 1.093 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.381 -0.540 -4.402 1.00 0.00 H new ATOM 89 N ASP A 7 -12.582 0.344 -1.338 1.00 0.00 N ATOM 90 CA ASP A 7 -13.267 0.880 -0.142 1.00 0.00 C ATOM 91 C ASP A 7 -12.182 1.386 0.797 1.00 0.00 C ATOM 92 O ASP A 7 -12.366 1.661 1.963 1.00 0.00 O ATOM 93 CB ASP A 7 -14.120 -0.229 0.505 1.00 0.00 C ATOM 94 CG ASP A 7 -15.018 0.260 1.638 1.00 0.00 C ATOM 95 OD1 ASP A 7 -15.968 1.017 1.350 1.00 0.00 O ATOM 96 OD2 ASP A 7 -14.808 -0.160 2.792 1.00 0.00 O ATOM 0 H ASP A 7 -11.991 -0.465 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.945 1.696 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.740 -0.691 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.458 -1.005 0.889 1.00 0.00 H new ATOM 101 N LEU A 8 -11.050 1.591 0.186 1.00 0.00 N ATOM 102 CA LEU A 8 -9.833 1.967 0.862 1.00 0.00 C ATOM 103 C LEU A 8 -9.909 3.412 1.265 1.00 0.00 C ATOM 104 O LEU A 8 -10.052 4.300 0.414 1.00 0.00 O ATOM 105 CB LEU A 8 -8.644 1.778 -0.069 1.00 0.00 C ATOM 106 CG LEU A 8 -8.480 0.391 -0.695 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.304 0.387 -1.653 1.00 0.00 C ATOM 108 CD2 LEU A 8 -8.300 -0.674 0.381 1.00 0.00 C ATOM 0 H LEU A 8 -10.941 1.500 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.710 1.340 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.722 2.509 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.736 2.011 0.486 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.387 0.155 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.196 -0.605 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.476 1.118 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.393 0.645 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.186 -1.651 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.411 -0.449 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.174 -0.685 1.032 1.00 0.00 H new ATOM 120 N GLN A 9 -9.834 3.650 2.528 1.00 0.00 N ATOM 121 CA GLN A 9 -9.892 4.973 3.060 1.00 0.00 C ATOM 122 C GLN A 9 -8.574 5.316 3.721 1.00 0.00 C ATOM 123 O GLN A 9 -7.833 4.426 4.115 1.00 0.00 O ATOM 124 CB GLN A 9 -11.063 5.117 4.041 1.00 0.00 C ATOM 125 CG GLN A 9 -12.435 5.036 3.381 1.00 0.00 C ATOM 126 CD GLN A 9 -12.646 6.149 2.364 1.00 0.00 C ATOM 127 OE1 GLN A 9 -13.125 7.226 2.695 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.267 5.912 1.134 1.00 0.00 N ATOM 0 H GLN A 9 -9.729 2.922 3.234 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.064 5.676 2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.988 4.336 4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.975 6.072 4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.544 4.070 2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -13.209 5.093 4.146 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -11.871 5.005 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.367 6.635 0.421 1.00 0.00 H new ATOM 137 N PRO A 10 -8.242 6.601 3.820 1.00 0.00 N ATOM 138 CA PRO A 10 -7.000 7.029 4.436 1.00 0.00 C ATOM 139 C PRO A 10 -6.954 6.654 5.919 1.00 0.00 C ATOM 140 O PRO A 10 -7.850 6.998 6.688 1.00 0.00 O ATOM 141 CB PRO A 10 -6.983 8.546 4.254 1.00 0.00 C ATOM 142 CG PRO A 10 -8.106 8.872 3.316 1.00 0.00 C ATOM 143 CD PRO A 10 -9.059 7.727 3.363 1.00 0.00 C ATOM 0 HA PRO A 10 -6.133 6.547 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.115 9.053 5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.028 8.878 3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.600 9.797 3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.732 9.021 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.885 7.924 4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.496 7.531 2.384 1.00 0.00 H new ATOM 151 N GLY A 11 -5.921 5.936 6.289 1.00 0.00 N ATOM 152 CA GLY A 11 -5.766 5.460 7.638 1.00 0.00 C ATOM 153 C GLY A 11 -5.836 3.951 7.694 1.00 0.00 C ATOM 154 O GLY A 11 -5.550 3.349 8.725 1.00 0.00 O ATOM 0 H GLY A 11 -5.164 5.666 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.810 5.798 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.545 5.887 8.269 1.00 0.00 H new ATOM 158 N ASP A 12 -6.197 3.353 6.567 1.00 0.00 N ATOM 159 CA ASP A 12 -6.371 1.901 6.450 1.00 0.00 C ATOM 160 C ASP A 12 -5.020 1.169 6.470 1.00 0.00 C ATOM 161 O ASP A 12 -3.963 1.740 6.095 1.00 0.00 O ATOM 162 CB ASP A 12 -7.139 1.582 5.168 1.00 0.00 C ATOM 163 CG ASP A 12 -7.586 0.140 5.041 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.900 -0.270 3.906 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.615 -0.580 6.069 1.00 0.00 O ATOM 0 H ASP A 12 -6.380 3.859 5.700 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.942 1.550 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.017 2.226 5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.511 1.830 4.313 1.00 0.00 H new ATOM 170 N VAL A 13 -5.071 -0.075 6.863 1.00 0.00 N ATOM 171 CA VAL A 13 -3.935 -0.921 7.065 1.00 0.00 C ATOM 172 C VAL A 13 -4.095 -2.237 6.255 1.00 0.00 C ATOM 173 O VAL A 13 -4.795 -3.177 6.638 1.00 0.00 O ATOM 174 CB VAL A 13 -3.739 -1.158 8.598 1.00 0.00 C ATOM 175 CG1 VAL A 13 -4.944 -1.825 9.276 1.00 0.00 C ATOM 176 CG2 VAL A 13 -2.442 -1.861 8.921 1.00 0.00 C ATOM 0 H VAL A 13 -5.954 -0.546 7.060 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.029 -0.443 6.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.670 -0.160 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.737 -1.958 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.825 -1.195 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.127 -2.797 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.361 -1.998 9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.423 -2.834 8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.604 -1.259 8.568 1.00 0.00 H new ATOM 186 N VAL A 14 -3.431 -2.284 5.134 1.00 0.00 N ATOM 187 CA VAL A 14 -3.629 -3.357 4.173 1.00 0.00 C ATOM 188 C VAL A 14 -2.339 -3.983 3.719 1.00 0.00 C ATOM 189 O VAL A 14 -1.249 -3.481 3.998 1.00 0.00 O ATOM 190 CB VAL A 14 -4.360 -2.821 2.918 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.804 -2.522 3.229 1.00 0.00 C ATOM 192 CG2 VAL A 14 -3.671 -1.553 2.407 1.00 0.00 C ATOM 0 H VAL A 14 -2.739 -1.589 4.853 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.221 -4.115 4.686 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.319 -3.590 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.299 -2.147 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.300 -3.433 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.858 -1.770 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.194 -1.185 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.691 -0.790 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.637 -1.780 2.148 1.00 0.00 H new ATOM 202 N LYS A 15 -2.472 -5.091 3.029 1.00 0.00 N ATOM 203 CA LYS A 15 -1.370 -5.720 2.378 1.00 0.00 C ATOM 204 C LYS A 15 -1.431 -5.358 0.934 1.00 0.00 C ATOM 205 O LYS A 15 -2.501 -5.469 0.295 1.00 0.00 O ATOM 206 CB LYS A 15 -1.377 -7.243 2.540 1.00 0.00 C ATOM 207 CG LYS A 15 -2.731 -7.892 2.353 1.00 0.00 C ATOM 208 CD LYS A 15 -2.614 -9.397 2.280 1.00 0.00 C ATOM 209 CE LYS A 15 -3.974 -10.047 2.109 1.00 0.00 C ATOM 210 NZ LYS A 15 -3.895 -11.525 2.011 1.00 0.00 N ATOM 0 H LYS A 15 -3.360 -5.578 2.908 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.446 -5.369 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.680 -7.674 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.004 -7.491 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.386 -7.616 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.194 -7.516 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.969 -9.674 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.141 -9.772 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.610 -9.777 2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.450 -9.653 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.823 -11.938 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.619 -11.795 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.187 -11.880 2.685 1.00 0.00 H new ATOM 224 N VAL A 16 -0.345 -4.890 0.434 1.00 0.00 N ATOM 225 CA VAL A 16 -0.252 -4.498 -0.915 1.00 0.00 C ATOM 226 C VAL A 16 0.943 -5.166 -1.528 1.00 0.00 C ATOM 227 O VAL A 16 1.970 -5.349 -0.870 1.00 0.00 O ATOM 228 CB VAL A 16 -0.123 -2.951 -1.083 1.00 0.00 C ATOM 229 CG1 VAL A 16 -1.283 -2.224 -0.434 1.00 0.00 C ATOM 230 CG2 VAL A 16 1.193 -2.428 -0.537 1.00 0.00 C ATOM 0 H VAL A 16 0.517 -4.769 0.965 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.172 -4.800 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.146 -2.752 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.161 -1.149 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.217 -2.544 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.307 -2.454 0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.240 -1.348 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.265 -2.662 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.020 -2.898 -1.069 1.00 0.00 H new ATOM 240 N LEU A 17 0.820 -5.579 -2.733 1.00 0.00 N ATOM 241 CA LEU A 17 1.955 -6.107 -3.407 1.00 0.00 C ATOM 242 C LEU A 17 2.680 -4.935 -4.044 1.00 0.00 C ATOM 243 O LEU A 17 2.310 -4.430 -5.113 1.00 0.00 O ATOM 244 CB LEU A 17 1.573 -7.289 -4.344 1.00 0.00 C ATOM 245 CG LEU A 17 2.685 -8.005 -5.164 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.165 -9.336 -5.676 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.150 -7.176 -6.359 1.00 0.00 C ATOM 0 H LEU A 17 -0.045 -5.564 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 17 2.659 -6.584 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.080 -8.045 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.832 -6.918 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 17 3.534 -8.147 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.946 -9.835 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.878 -9.963 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.298 -9.167 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.926 -7.719 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.307 -6.992 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.550 -6.225 -6.008 1.00 0.00 H new ATOM 259 N GLU A 18 3.635 -4.450 -3.284 1.00 0.00 N ATOM 260 CA GLU A 18 4.407 -3.260 -3.575 1.00 0.00 C ATOM 261 C GLU A 18 5.262 -3.429 -4.813 1.00 0.00 C ATOM 262 O GLU A 18 5.241 -2.609 -5.734 1.00 0.00 O ATOM 263 CB GLU A 18 5.293 -2.963 -2.363 1.00 0.00 C ATOM 264 CG GLU A 18 6.195 -1.766 -2.514 1.00 0.00 C ATOM 265 CD GLU A 18 7.057 -1.515 -1.299 1.00 0.00 C ATOM 266 OE1 GLU A 18 6.515 -1.300 -0.207 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.301 -1.458 -1.450 1.00 0.00 O ATOM 0 H GLU A 18 3.908 -4.893 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 18 3.724 -2.433 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.654 -2.811 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.908 -3.839 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.836 -1.910 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.587 -0.883 -2.709 1.00 0.00 H new ATOM 274 N SER A 19 6.038 -4.458 -4.820 1.00 0.00 N ATOM 275 CA SER A 19 6.931 -4.724 -5.893 1.00 0.00 C ATOM 276 C SER A 19 7.095 -6.227 -6.024 1.00 0.00 C ATOM 277 O SER A 19 6.994 -6.941 -5.030 1.00 0.00 O ATOM 278 CB SER A 19 8.272 -4.005 -5.631 1.00 0.00 C ATOM 279 OG SER A 19 8.092 -2.584 -5.605 1.00 0.00 O ATOM 0 H SER A 19 6.070 -5.148 -4.069 1.00 0.00 H new ATOM 0 HA SER A 19 6.539 -4.344 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.690 -4.340 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.990 -4.271 -6.407 1.00 0.00 H new ATOM 0 HG SER A 19 8.753 -2.160 -6.191 1.00 0.00 H new ATOM 285 N ALA A 20 7.331 -6.702 -7.241 1.00 0.00 N ATOM 286 CA ALA A 20 7.428 -8.143 -7.535 1.00 0.00 C ATOM 287 C ALA A 20 8.552 -8.836 -6.762 1.00 0.00 C ATOM 288 O ALA A 20 8.468 -10.008 -6.473 1.00 0.00 O ATOM 289 CB ALA A 20 7.598 -8.363 -9.031 1.00 0.00 C ATOM 0 H ALA A 20 7.462 -6.106 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 20 6.495 -8.598 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.669 -9.431 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.740 -7.948 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.508 -7.868 -9.371 1.00 0.00 H new ATOM 295 N ALA A 21 9.578 -8.086 -6.406 1.00 0.00 N ATOM 296 CA ALA A 21 10.721 -8.643 -5.688 1.00 0.00 C ATOM 297 C ALA A 21 10.509 -8.596 -4.172 1.00 0.00 C ATOM 298 O ALA A 21 11.410 -8.896 -3.406 1.00 0.00 O ATOM 299 CB ALA A 21 11.988 -7.890 -6.071 1.00 0.00 C ATOM 0 H ALA A 21 9.648 -7.087 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 21 10.824 -9.690 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.838 -8.310 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.156 -7.983 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.878 -6.837 -5.811 1.00 0.00 H new ATOM 305 N LEU A 22 9.315 -8.215 -3.759 1.00 0.00 N ATOM 306 CA LEU A 22 8.987 -8.113 -2.343 1.00 0.00 C ATOM 307 C LEU A 22 7.693 -8.850 -2.052 1.00 0.00 C ATOM 308 O LEU A 22 7.591 -9.586 -1.084 1.00 0.00 O ATOM 309 CB LEU A 22 8.862 -6.640 -1.915 1.00 0.00 C ATOM 310 CG LEU A 22 10.129 -5.779 -2.034 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.823 -4.339 -1.676 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.236 -6.314 -1.131 1.00 0.00 C ATOM 0 H LEU A 22 8.549 -7.969 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 22 9.795 -8.570 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.078 -6.177 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.529 -6.614 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 22 10.472 -5.824 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.730 -3.741 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.064 -3.949 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.455 -4.289 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.123 -5.688 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.899 -6.300 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.479 -7.337 -1.420 1.00 0.00 H new ATOM 324 N GLY A 23 6.710 -8.645 -2.901 1.00 0.00 N ATOM 325 CA GLY A 23 5.453 -9.295 -2.724 1.00 0.00 C ATOM 326 C GLY A 23 4.510 -8.440 -1.930 1.00 0.00 C ATOM 327 O GLY A 23 4.590 -7.197 -1.975 1.00 0.00 O ATOM 0 H GLY A 23 6.767 -8.033 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.015 -9.518 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.601 -10.248 -2.215 1.00 0.00 H new ATOM 331 N TRP A 24 3.608 -9.090 -1.255 1.00 0.00 N ATOM 332 CA TRP A 24 2.647 -8.454 -0.394 1.00 0.00 C ATOM 333 C TRP A 24 3.299 -7.972 0.889 1.00 0.00 C ATOM 334 O TRP A 24 3.696 -8.765 1.738 1.00 0.00 O ATOM 335 CB TRP A 24 1.505 -9.421 -0.069 1.00 0.00 C ATOM 336 CG TRP A 24 0.750 -9.874 -1.277 1.00 0.00 C ATOM 337 CD1 TRP A 24 1.009 -10.969 -2.050 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.379 -9.230 -1.856 1.00 0.00 C ATOM 339 NE1 TRP A 24 0.098 -11.046 -3.073 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.764 -9.986 -2.978 1.00 0.00 C ATOM 341 CE3 TRP A 24 -1.102 -8.087 -1.533 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.843 -9.631 -3.780 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -2.168 -7.734 -2.327 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.531 -8.503 -3.440 1.00 0.00 C ATOM 0 H TRP A 24 3.516 -10.105 -1.287 1.00 0.00 H new ATOM 0 HA TRP A 24 2.244 -7.588 -0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.911 -10.292 0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.814 -8.937 0.622 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.812 -11.671 -1.881 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.068 -11.774 -3.787 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.832 -7.488 -0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.125 -10.224 -4.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.736 -6.847 -2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.374 -8.196 -4.042 1.00 0.00 H new ATOM 355 N VAL A 25 3.417 -6.687 1.002 1.00 0.00 N ATOM 356 CA VAL A 25 3.942 -6.050 2.173 1.00 0.00 C ATOM 357 C VAL A 25 2.780 -5.354 2.840 1.00 0.00 C ATOM 358 O VAL A 25 1.676 -5.344 2.295 1.00 0.00 O ATOM 359 CB VAL A 25 5.063 -5.012 1.841 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.237 -5.680 1.135 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.523 -3.856 1.004 1.00 0.00 C ATOM 0 H VAL A 25 3.145 -6.034 0.267 1.00 0.00 H new ATOM 0 HA VAL A 25 4.402 -6.798 2.819 1.00 0.00 H new ATOM 0 HB VAL A 25 5.419 -4.604 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.002 -4.935 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.657 -6.453 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.893 -6.131 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.329 -3.153 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.121 -4.242 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.733 -3.346 1.555 1.00 0.00 H new ATOM 371 N ARG A 26 2.988 -4.765 3.966 1.00 0.00 N ATOM 372 CA ARG A 26 1.903 -4.125 4.626 1.00 0.00 C ATOM 373 C ARG A 26 2.062 -2.637 4.473 1.00 0.00 C ATOM 374 O ARG A 26 3.092 -2.073 4.826 1.00 0.00 O ATOM 375 CB ARG A 26 1.797 -4.596 6.096 1.00 0.00 C ATOM 376 CG ARG A 26 0.536 -4.145 6.851 1.00 0.00 C ATOM 377 CD ARG A 26 0.619 -2.706 7.320 1.00 0.00 C ATOM 378 NE ARG A 26 1.619 -2.539 8.382 1.00 0.00 N ATOM 379 CZ ARG A 26 2.528 -1.551 8.449 1.00 0.00 C ATOM 380 NH1 ARG A 26 2.668 -0.694 7.443 1.00 0.00 N ATOM 381 NH2 ARG A 26 3.317 -1.452 9.511 1.00 0.00 N ATOM 0 H ARG A 26 3.887 -4.713 4.445 1.00 0.00 H new ATOM 0 HA ARG A 26 0.953 -4.404 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.838 -5.685 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.671 -4.235 6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.332 -4.262 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.381 -4.795 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.872 -2.062 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.357 -2.385 7.685 1.00 0.00 H new ATOM 0 HE ARG A 26 1.624 -3.231 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.083 -0.783 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.360 0.053 7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.233 -2.124 10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.008 -0.704 9.565 1.00 0.00 H new ATOM 395 N ALA A 27 1.046 -2.014 3.978 1.00 0.00 N ATOM 396 CA ALA A 27 1.077 -0.617 3.692 1.00 0.00 C ATOM 397 C ALA A 27 -0.054 0.065 4.390 1.00 0.00 C ATOM 398 O ALA A 27 -0.854 -0.574 5.084 1.00 0.00 O ATOM 399 CB ALA A 27 1.016 -0.362 2.200 1.00 0.00 C ATOM 0 H ALA A 27 0.158 -2.466 3.757 1.00 0.00 H new ATOM 0 HA ALA A 27 2.020 -0.209 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.041 0.712 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.870 -0.835 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.093 -0.779 1.797 1.00 0.00 H new ATOM 405 N ARG A 28 -0.111 1.331 4.223 1.00 0.00 N ATOM 406 CA ARG A 28 -1.075 2.158 4.854 1.00 0.00 C ATOM 407 C ARG A 28 -1.635 3.077 3.808 1.00 0.00 C ATOM 408 O ARG A 28 -0.880 3.633 3.030 1.00 0.00 O ATOM 409 CB ARG A 28 -0.311 2.908 5.937 1.00 0.00 C ATOM 410 CG ARG A 28 -1.013 4.008 6.699 1.00 0.00 C ATOM 411 CD ARG A 28 -0.041 4.580 7.745 1.00 0.00 C ATOM 412 NE ARG A 28 1.266 5.007 7.143 1.00 0.00 N ATOM 413 CZ ARG A 28 2.441 4.302 7.231 1.00 0.00 C ATOM 414 NH1 ARG A 28 2.481 3.149 7.904 1.00 0.00 N ATOM 415 NH2 ARG A 28 3.555 4.759 6.650 1.00 0.00 N ATOM 0 H ARG A 28 0.535 1.843 3.621 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.911 1.618 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.036 2.174 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.575 3.342 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.338 4.793 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.907 3.619 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.505 5.433 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.145 3.829 8.513 1.00 0.00 H new ATOM 0 HE ARG A 28 1.283 5.888 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.638 2.791 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.354 2.626 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.537 5.639 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.423 4.227 6.722 1.00 0.00 H new ATOM 429 N VAL A 29 -2.932 3.177 3.737 1.00 0.00 N ATOM 430 CA VAL A 29 -3.576 4.073 2.791 1.00 0.00 C ATOM 431 C VAL A 29 -3.507 5.453 3.363 1.00 0.00 C ATOM 432 O VAL A 29 -3.973 5.694 4.466 1.00 0.00 O ATOM 433 CB VAL A 29 -5.052 3.680 2.546 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.698 4.589 1.499 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.171 2.220 2.124 1.00 0.00 C ATOM 0 H VAL A 29 -3.577 2.648 4.324 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.065 4.016 1.830 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.585 3.808 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.735 4.289 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.666 5.622 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.154 4.504 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.220 1.973 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.612 2.061 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.767 1.580 2.909 1.00 0.00 H new ATOM 445 N ILE A 30 -2.881 6.338 2.655 1.00 0.00 N ATOM 446 CA ILE A 30 -2.728 7.683 3.136 1.00 0.00 C ATOM 447 C ILE A 30 -3.805 8.579 2.591 1.00 0.00 C ATOM 448 O ILE A 30 -4.308 9.458 3.290 1.00 0.00 O ATOM 449 CB ILE A 30 -1.280 8.295 2.874 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.263 7.871 3.947 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.282 9.824 2.751 1.00 0.00 C ATOM 452 CD1 ILE A 30 -0.006 6.406 4.039 1.00 0.00 C ATOM 0 H ILE A 30 -2.466 6.158 1.741 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.836 7.628 4.219 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.974 7.881 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.682 8.377 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.615 8.223 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.266 10.176 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.920 10.121 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.662 10.263 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.725 6.213 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.936 5.887 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.381 6.044 3.087 1.00 0.00 H new ATOM 464 N ARG A 31 -4.157 8.376 1.347 1.00 0.00 N ATOM 465 CA ARG A 31 -5.061 9.221 0.709 1.00 0.00 C ATOM 466 C ARG A 31 -5.599 8.566 -0.551 1.00 0.00 C ATOM 467 O ARG A 31 -5.041 7.605 -1.063 1.00 0.00 O ATOM 468 CB ARG A 31 -4.199 10.379 0.338 1.00 0.00 C ATOM 469 CG ARG A 31 -4.651 11.281 -0.712 1.00 0.00 C ATOM 470 CD ARG A 31 -5.702 12.283 -0.261 1.00 0.00 C ATOM 471 NE ARG A 31 -5.230 13.166 0.826 1.00 0.00 N ATOM 472 CZ ARG A 31 -5.840 14.307 1.208 1.00 0.00 C ATOM 473 NH1 ARG A 31 -6.924 14.743 0.548 1.00 0.00 N ATOM 474 NH2 ARG A 31 -5.356 15.011 2.240 1.00 0.00 N ATOM 0 H ARG A 31 -3.809 7.611 0.770 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.924 9.479 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.039 10.973 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.227 9.985 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.791 11.824 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.057 10.690 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.003 12.893 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.588 11.745 0.075 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.382 12.893 1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.287 14.212 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.385 15.606 0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.527 14.684 2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.817 15.874 2.529 1.00 0.00 H new ATOM 488 N VAL A 32 -6.670 9.092 -1.001 1.00 0.00 N ATOM 489 CA VAL A 32 -7.204 8.806 -2.310 1.00 0.00 C ATOM 490 C VAL A 32 -7.017 10.091 -3.094 1.00 0.00 C ATOM 491 O VAL A 32 -7.473 11.157 -2.678 1.00 0.00 O ATOM 492 CB VAL A 32 -8.693 8.367 -2.295 1.00 0.00 C ATOM 493 CG1 VAL A 32 -9.180 8.042 -3.706 1.00 0.00 C ATOM 494 CG2 VAL A 32 -8.896 7.168 -1.373 1.00 0.00 C ATOM 0 H VAL A 32 -7.231 9.756 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.686 7.957 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.283 9.200 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.226 7.737 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.082 8.925 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.580 7.232 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.947 6.878 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.288 6.334 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.599 7.434 -0.359 1.00 0.00 H new ATOM 504 N LYS A 33 -6.257 9.991 -4.126 1.00 0.00 N ATOM 505 CA LYS A 33 -5.789 11.098 -4.889 1.00 0.00 C ATOM 506 C LYS A 33 -6.585 11.205 -6.175 1.00 0.00 C ATOM 507 O LYS A 33 -7.745 10.822 -6.217 1.00 0.00 O ATOM 508 CB LYS A 33 -4.366 10.720 -5.132 1.00 0.00 C ATOM 509 CG LYS A 33 -3.310 11.769 -5.316 1.00 0.00 C ATOM 510 CD LYS A 33 -2.019 11.114 -4.848 1.00 0.00 C ATOM 511 CE LYS A 33 -0.773 12.023 -4.907 1.00 0.00 C ATOM 512 NZ LYS A 33 0.463 11.403 -4.277 1.00 0.00 N ATOM 0 H LYS A 33 -5.928 9.093 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.890 12.071 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.054 10.096 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.350 10.091 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.240 12.080 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.534 12.662 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.153 10.772 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.835 10.229 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.558 12.263 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.995 12.963 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.269 12.052 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.288 11.229 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.680 10.503 -4.751 1.00 0.00 H new ATOM 526 N SER A 34 -5.940 11.703 -7.197 1.00 0.00 N ATOM 527 CA SER A 34 -6.520 12.013 -8.461 1.00 0.00 C ATOM 528 C SER A 34 -7.362 10.867 -9.082 1.00 0.00 C ATOM 529 O SER A 34 -6.817 9.897 -9.624 1.00 0.00 O ATOM 530 CB SER A 34 -5.400 12.432 -9.390 1.00 0.00 C ATOM 531 OG SER A 34 -4.492 13.284 -8.686 1.00 0.00 O ATOM 0 H SER A 34 -4.942 11.912 -7.159 1.00 0.00 H new ATOM 0 HA SER A 34 -7.237 12.820 -8.311 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.875 11.553 -9.764 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.807 12.953 -10.256 1.00 0.00 H new ATOM 0 HG SER A 34 -3.766 13.555 -9.286 1.00 0.00 H new ATOM 537 N GLY A 35 -8.678 10.973 -8.933 1.00 0.00 N ATOM 538 CA GLY A 35 -9.608 10.043 -9.545 1.00 0.00 C ATOM 539 C GLY A 35 -9.695 8.727 -8.809 1.00 0.00 C ATOM 540 O GLY A 35 -10.624 8.488 -8.055 1.00 0.00 O ATOM 0 H GLY A 35 -9.126 11.707 -8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.598 10.499 -9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.303 9.858 -10.575 1.00 0.00 H new ATOM 544 N GLY A 36 -8.715 7.898 -9.027 1.00 0.00 N ATOM 545 CA GLY A 36 -8.668 6.593 -8.417 1.00 0.00 C ATOM 546 C GLY A 36 -7.251 6.242 -8.096 1.00 0.00 C ATOM 547 O GLY A 36 -6.851 5.081 -8.100 1.00 0.00 O ATOM 0 H GLY A 36 -7.922 8.105 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.271 6.583 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.094 5.850 -9.091 1.00 0.00 H new ATOM 551 N ARG A 37 -6.484 7.261 -7.833 1.00 0.00 N ATOM 552 CA ARG A 37 -5.113 7.118 -7.539 1.00 0.00 C ATOM 553 C ARG A 37 -4.973 6.977 -6.088 1.00 0.00 C ATOM 554 O ARG A 37 -5.019 7.913 -5.333 1.00 0.00 O ATOM 555 CB ARG A 37 -4.380 8.274 -8.133 1.00 0.00 C ATOM 556 CG ARG A 37 -2.881 8.138 -8.332 1.00 0.00 C ATOM 557 CD ARG A 37 -2.176 7.955 -7.044 1.00 0.00 C ATOM 558 NE ARG A 37 -0.730 8.197 -7.170 1.00 0.00 N ATOM 559 CZ ARG A 37 0.149 8.137 -6.166 1.00 0.00 C ATOM 560 NH1 ARG A 37 -0.194 7.586 -5.003 1.00 0.00 N ATOM 561 NH2 ARG A 37 1.400 8.545 -6.352 1.00 0.00 N ATOM 0 H ARG A 37 -6.813 8.226 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.671 6.224 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.828 8.491 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.556 9.143 -7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.675 7.289 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.498 9.026 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.594 8.635 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.344 6.942 -6.679 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.371 8.429 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.132 7.207 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.482 7.543 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.689 8.904 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.071 8.499 -5.585 1.00 0.00 H new ATOM 575 N VAL A 38 -4.875 5.798 -5.717 1.00 0.00 N ATOM 576 CA VAL A 38 -4.775 5.459 -4.324 1.00 0.00 C ATOM 577 C VAL A 38 -3.353 5.674 -3.860 1.00 0.00 C ATOM 578 O VAL A 38 -2.392 5.333 -4.550 1.00 0.00 O ATOM 579 CB VAL A 38 -5.195 4.007 -4.024 1.00 0.00 C ATOM 580 CG1 VAL A 38 -5.306 3.759 -2.519 1.00 0.00 C ATOM 581 CG2 VAL A 38 -6.482 3.624 -4.743 1.00 0.00 C ATOM 0 H VAL A 38 -4.858 4.999 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.465 6.109 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.407 3.361 -4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.604 2.726 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.341 3.944 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.052 4.430 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.740 2.593 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.288 4.284 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.340 3.721 -5.819 1.00 0.00 H new ATOM 591 N VAL A 39 -3.237 6.313 -2.767 1.00 0.00 N ATOM 592 CA VAL A 39 -1.991 6.573 -2.121 1.00 0.00 C ATOM 593 C VAL A 39 -1.822 5.622 -0.985 1.00 0.00 C ATOM 594 O VAL A 39 -2.616 5.636 -0.035 1.00 0.00 O ATOM 595 CB VAL A 39 -2.004 7.970 -1.496 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.723 8.297 -0.783 1.00 0.00 C ATOM 597 CG2 VAL A 39 -2.309 8.993 -2.504 1.00 0.00 C ATOM 0 H VAL A 39 -4.039 6.693 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.198 6.477 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.795 7.968 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.788 9.299 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.557 7.575 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.107 8.254 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.312 9.977 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.553 8.968 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.289 8.795 -2.938 1.00 0.00 H new ATOM 607 N VAL A 40 -0.832 4.830 -1.050 1.00 0.00 N ATOM 608 CA VAL A 40 -0.496 4.005 0.045 1.00 0.00 C ATOM 609 C VAL A 40 0.967 4.187 0.261 1.00 0.00 C ATOM 610 O VAL A 40 1.697 4.551 -0.675 1.00 0.00 O ATOM 611 CB VAL A 40 -0.816 2.483 -0.159 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.302 2.234 -0.321 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.055 1.912 -1.343 1.00 0.00 C ATOM 0 H VAL A 40 -0.226 4.730 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.103 4.301 0.900 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.487 1.969 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.479 1.167 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.828 2.576 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.670 2.779 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.299 0.856 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.335 2.449 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.016 2.021 -1.174 1.00 0.00 H new ATOM 623 N GLN A 41 1.378 3.996 1.437 1.00 0.00 N ATOM 624 CA GLN A 41 2.734 4.142 1.781 1.00 0.00 C ATOM 625 C GLN A 41 3.111 3.013 2.666 1.00 0.00 C ATOM 626 O GLN A 41 2.385 2.685 3.618 1.00 0.00 O ATOM 627 CB GLN A 41 2.929 5.463 2.492 1.00 0.00 C ATOM 628 CG GLN A 41 4.337 5.760 2.971 1.00 0.00 C ATOM 629 CD GLN A 41 4.376 6.996 3.828 1.00 0.00 C ATOM 630 OE1 GLN A 41 4.186 6.923 5.044 1.00 0.00 O ATOM 631 NE2 GLN A 41 4.637 8.123 3.228 1.00 0.00 N ATOM 0 H GLN A 41 0.774 3.727 2.214 1.00 0.00 H new ATOM 0 HA GLN A 41 3.363 4.133 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.619 6.263 1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.260 5.492 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.717 4.910 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.995 5.890 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.788 8.141 2.219 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.690 8.987 3.767 1.00 0.00 H new ATOM 640 N SER A 42 4.175 2.397 2.335 1.00 0.00 N ATOM 641 CA SER A 42 4.711 1.336 3.128 1.00 0.00 C ATOM 642 C SER A 42 5.571 1.946 4.234 1.00 0.00 C ATOM 643 O SER A 42 5.861 3.155 4.200 1.00 0.00 O ATOM 644 CB SER A 42 5.512 0.427 2.229 1.00 0.00 C ATOM 645 OG SER A 42 4.694 -0.088 1.211 1.00 0.00 O ATOM 0 H SER A 42 4.716 2.608 1.496 1.00 0.00 H new ATOM 0 HA SER A 42 3.924 0.745 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.346 0.977 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.939 -0.390 2.812 1.00 0.00 H new ATOM 0 HG SER A 42 5.185 -0.774 0.712 1.00 0.00 H new ATOM 651 N ASP A 43 6.009 1.147 5.182 1.00 0.00 N ATOM 652 CA ASP A 43 6.770 1.678 6.329 1.00 0.00 C ATOM 653 C ASP A 43 8.186 2.068 5.968 1.00 0.00 C ATOM 654 O ASP A 43 8.915 2.611 6.780 1.00 0.00 O ATOM 655 CB ASP A 43 6.719 0.762 7.558 1.00 0.00 C ATOM 656 CG ASP A 43 5.372 0.795 8.262 1.00 0.00 C ATOM 657 OD1 ASP A 43 5.253 0.273 9.374 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.377 1.330 7.688 1.00 0.00 O ATOM 0 H ASP A 43 5.862 0.138 5.197 1.00 0.00 H new ATOM 0 HA ASP A 43 6.260 2.599 6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.939 -0.261 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.498 1.060 8.260 1.00 0.00 H new ATOM 663 N GLN A 44 8.567 1.805 4.724 1.00 0.00 N ATOM 664 CA GLN A 44 9.845 2.271 4.207 1.00 0.00 C ATOM 665 C GLN A 44 9.716 3.759 3.863 1.00 0.00 C ATOM 666 O GLN A 44 10.685 4.416 3.525 1.00 0.00 O ATOM 667 CB GLN A 44 10.296 1.513 2.934 1.00 0.00 C ATOM 668 CG GLN A 44 10.269 -0.012 3.004 1.00 0.00 C ATOM 669 CD GLN A 44 8.885 -0.576 2.758 1.00 0.00 C ATOM 670 OE1 GLN A 44 8.099 -0.773 3.679 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.573 -0.783 1.512 1.00 0.00 N ATOM 0 H GLN A 44 8.009 1.272 4.056 1.00 0.00 H new ATOM 0 HA GLN A 44 10.594 2.091 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.661 1.828 2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.312 1.826 2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.961 -0.419 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.621 -0.334 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.259 -0.605 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.642 -1.123 1.269 1.00 0.00 H new ATOM 680 N GLY A 45 8.481 4.249 3.892 1.00 0.00 N ATOM 681 CA GLY A 45 8.210 5.640 3.642 1.00 0.00 C ATOM 682 C GLY A 45 7.853 5.925 2.205 1.00 0.00 C ATOM 683 O GLY A 45 7.476 7.045 1.869 1.00 0.00 O ATOM 0 H GLY A 45 7.652 3.688 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.392 5.966 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.085 6.229 3.916 1.00 0.00 H new ATOM 687 N ARG A 46 7.938 4.920 1.348 1.00 0.00 N ATOM 688 CA ARG A 46 7.656 5.114 -0.023 1.00 0.00 C ATOM 689 C ARG A 46 6.150 5.159 -0.278 1.00 0.00 C ATOM 690 O ARG A 46 5.409 4.260 0.141 1.00 0.00 O ATOM 691 CB ARG A 46 8.320 4.019 -0.862 1.00 0.00 C ATOM 692 CG ARG A 46 7.835 2.596 -0.591 1.00 0.00 C ATOM 693 CD ARG A 46 8.476 1.589 -1.537 1.00 0.00 C ATOM 694 NE ARG A 46 8.196 1.881 -2.970 1.00 0.00 N ATOM 695 CZ ARG A 46 8.408 1.014 -3.999 1.00 0.00 C ATOM 696 NH1 ARG A 46 8.716 -0.261 -3.764 1.00 0.00 N ATOM 697 NH2 ARG A 46 8.236 1.424 -5.262 1.00 0.00 N ATOM 0 H ARG A 46 8.203 3.968 1.601 1.00 0.00 H new ATOM 0 HA ARG A 46 8.068 6.078 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.158 4.245 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.396 4.056 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.065 2.324 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.751 2.555 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.554 1.583 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.112 0.590 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 46 7.817 2.800 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.795 -0.598 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.872 -0.900 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.947 2.384 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.394 0.777 -6.034 1.00 0.00 H new ATOM 711 N GLU A 47 5.708 6.219 -0.907 1.00 0.00 N ATOM 712 CA GLU A 47 4.333 6.331 -1.337 1.00 0.00 C ATOM 713 C GLU A 47 4.273 5.712 -2.725 1.00 0.00 C ATOM 714 O GLU A 47 5.260 5.778 -3.478 1.00 0.00 O ATOM 715 CB GLU A 47 3.904 7.815 -1.494 1.00 0.00 C ATOM 716 CG GLU A 47 2.433 7.958 -1.893 1.00 0.00 C ATOM 717 CD GLU A 47 2.070 9.209 -2.706 1.00 0.00 C ATOM 718 OE1 GLU A 47 2.183 9.167 -3.959 1.00 0.00 O ATOM 719 OE2 GLU A 47 1.544 10.192 -2.156 1.00 0.00 O ATOM 0 H GLU A 47 6.287 7.027 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 47 3.684 5.850 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.076 8.341 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.530 8.294 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.148 7.079 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.830 7.952 -0.985 1.00 0.00 H new ATOM 726 N PHE A 48 3.183 5.098 -3.050 1.00 0.00 N ATOM 727 CA PHE A 48 2.963 4.606 -4.375 1.00 0.00 C ATOM 728 C PHE A 48 1.494 4.531 -4.673 1.00 0.00 C ATOM 729 O PHE A 48 0.652 4.657 -3.766 1.00 0.00 O ATOM 730 CB PHE A 48 3.714 3.280 -4.676 1.00 0.00 C ATOM 731 CG PHE A 48 3.523 2.177 -3.676 1.00 0.00 C ATOM 732 CD1 PHE A 48 4.248 2.175 -2.497 1.00 0.00 C ATOM 733 CD2 PHE A 48 2.647 1.135 -3.922 1.00 0.00 C ATOM 734 CE1 PHE A 48 4.103 1.171 -1.584 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.497 0.119 -3.002 1.00 0.00 C ATOM 736 CZ PHE A 48 3.230 0.142 -1.830 1.00 0.00 C ATOM 0 H PHE A 48 2.415 4.921 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 48 3.403 5.327 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.394 2.918 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.780 3.497 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.939 2.980 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.078 1.117 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.675 1.187 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.810 -0.691 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.115 -0.652 -1.107 1.00 0.00 H new ATOM 746 N THR A 49 1.185 4.399 -5.928 1.00 0.00 N ATOM 747 CA THR A 49 -0.159 4.329 -6.371 1.00 0.00 C ATOM 748 C THR A 49 -0.653 2.898 -6.320 1.00 0.00 C ATOM 749 O THR A 49 -0.134 2.006 -7.002 1.00 0.00 O ATOM 750 CB THR A 49 -0.348 4.962 -7.791 1.00 0.00 C ATOM 751 OG1 THR A 49 -1.707 4.848 -8.241 1.00 0.00 O ATOM 752 CG2 THR A 49 0.604 4.371 -8.832 1.00 0.00 C ATOM 0 H THR A 49 1.875 4.337 -6.677 1.00 0.00 H new ATOM 0 HA THR A 49 -0.768 4.925 -5.691 1.00 0.00 H new ATOM 0 HB THR A 49 -0.101 6.018 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.793 5.254 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.429 4.847 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.635 4.546 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.428 3.299 -8.919 1.00 0.00 H new ATOM 760 N ALA A 50 -1.620 2.685 -5.500 1.00 0.00 N ATOM 761 CA ALA A 50 -2.193 1.389 -5.349 1.00 0.00 C ATOM 762 C ALA A 50 -3.424 1.255 -6.222 1.00 0.00 C ATOM 763 O ALA A 50 -3.981 2.252 -6.688 1.00 0.00 O ATOM 764 CB ALA A 50 -2.538 1.144 -3.904 1.00 0.00 C ATOM 0 H ALA A 50 -2.040 3.405 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.466 0.641 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.975 0.151 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.634 1.209 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.254 1.894 -3.569 1.00 0.00 H new ATOM 770 N ARG A 51 -3.801 0.026 -6.483 1.00 0.00 N ATOM 771 CA ARG A 51 -4.986 -0.315 -7.254 1.00 0.00 C ATOM 772 C ARG A 51 -5.659 -1.453 -6.525 1.00 0.00 C ATOM 773 O ARG A 51 -4.998 -2.137 -5.754 1.00 0.00 O ATOM 774 CB ARG A 51 -4.652 -0.794 -8.699 1.00 0.00 C ATOM 775 CG ARG A 51 -4.087 0.245 -9.682 1.00 0.00 C ATOM 776 CD ARG A 51 -2.653 0.609 -9.368 1.00 0.00 C ATOM 777 NE ARG A 51 -2.043 1.459 -10.389 1.00 0.00 N ATOM 778 CZ ARG A 51 -0.741 1.427 -10.700 1.00 0.00 C ATOM 779 NH1 ARG A 51 0.081 0.588 -10.052 1.00 0.00 N ATOM 780 NH2 ARG A 51 -0.260 2.229 -11.660 1.00 0.00 N ATOM 0 H ARG A 51 -3.282 -0.790 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.612 0.572 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.934 -1.611 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.562 -1.208 -9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.146 -0.148 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.703 1.144 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.616 1.122 -8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.066 -0.304 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.643 2.113 -10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.286 -0.024 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.073 0.562 -10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.886 2.865 -12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.732 2.204 -11.896 1.00 0.00 H new ATOM 794 N GLY A 52 -6.927 -1.714 -6.813 1.00 0.00 N ATOM 795 CA GLY A 52 -7.668 -2.785 -6.117 1.00 0.00 C ATOM 796 C GLY A 52 -7.187 -4.186 -6.461 1.00 0.00 C ATOM 797 O GLY A 52 -7.658 -5.164 -5.913 1.00 0.00 O ATOM 0 H GLY A 52 -7.469 -1.211 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.581 -2.635 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.726 -2.703 -6.365 1.00 0.00 H new ATOM 801 N ASN A 53 -6.249 -4.271 -7.373 1.00 0.00 N ATOM 802 CA ASN A 53 -5.666 -5.548 -7.757 1.00 0.00 C ATOM 803 C ASN A 53 -4.373 -5.766 -6.998 1.00 0.00 C ATOM 804 O ASN A 53 -3.797 -6.838 -7.021 1.00 0.00 O ATOM 805 CB ASN A 53 -5.388 -5.591 -9.266 1.00 0.00 C ATOM 806 CG ASN A 53 -6.632 -5.431 -10.127 1.00 0.00 C ATOM 807 OD1 ASN A 53 -6.569 -4.886 -11.213 1.00 0.00 O ATOM 808 ND2 ASN A 53 -7.760 -5.894 -9.648 1.00 0.00 N ATOM 0 H ASN A 53 -5.866 -3.467 -7.871 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.376 -6.338 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.680 -4.801 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.908 -6.539 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.620 -5.803 -10.189 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.779 -6.346 -8.734 1.00 0.00 H new ATOM 815 N GLN A 54 -3.927 -4.727 -6.322 1.00 0.00 N ATOM 816 CA GLN A 54 -2.694 -4.763 -5.578 1.00 0.00 C ATOM 817 C GLN A 54 -2.954 -4.642 -4.101 1.00 0.00 C ATOM 818 O GLN A 54 -2.023 -4.693 -3.314 1.00 0.00 O ATOM 819 CB GLN A 54 -1.793 -3.603 -5.984 1.00 0.00 C ATOM 820 CG GLN A 54 -1.141 -3.710 -7.345 1.00 0.00 C ATOM 821 CD GLN A 54 -0.286 -2.494 -7.638 1.00 0.00 C ATOM 822 OE1 GLN A 54 -0.746 -1.514 -8.236 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.931 -2.509 -7.170 1.00 0.00 N ATOM 0 H GLN A 54 -4.415 -3.832 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.213 -5.716 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.382 -2.686 -5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.008 -3.500 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.526 -4.609 -7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.909 -3.812 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.279 -3.334 -6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.535 -1.696 -7.292 1.00 0.00 H new ATOM 832 N VAL A 55 -4.205 -4.479 -3.720 1.00 0.00 N ATOM 833 CA VAL A 55 -4.524 -4.201 -2.332 1.00 0.00 C ATOM 834 C VAL A 55 -5.601 -5.114 -1.866 1.00 0.00 C ATOM 835 O VAL A 55 -6.584 -5.340 -2.568 1.00 0.00 O ATOM 836 CB VAL A 55 -5.002 -2.740 -2.108 1.00 0.00 C ATOM 837 CG1 VAL A 55 -5.193 -2.437 -0.638 1.00 0.00 C ATOM 838 CG2 VAL A 55 -4.081 -1.726 -2.746 1.00 0.00 C ATOM 0 H VAL A 55 -5.010 -4.533 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.604 -4.354 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.969 -2.655 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.528 -1.406 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.941 -3.112 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.248 -2.574 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.461 -0.721 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.083 -1.822 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.034 -1.903 -3.821 1.00 0.00 H new ATOM 848 N ARG A 56 -5.408 -5.646 -0.694 1.00 0.00 N ATOM 849 CA ARG A 56 -6.324 -6.530 -0.102 1.00 0.00 C ATOM 850 C ARG A 56 -6.476 -6.183 1.357 1.00 0.00 C ATOM 851 O ARG A 56 -5.482 -6.148 2.103 1.00 0.00 O ATOM 852 CB ARG A 56 -5.765 -7.895 -0.206 1.00 0.00 C ATOM 853 CG ARG A 56 -5.521 -8.361 -1.630 1.00 0.00 C ATOM 854 CD ARG A 56 -6.816 -8.607 -2.368 1.00 0.00 C ATOM 855 NE ARG A 56 -7.699 -9.458 -1.588 1.00 0.00 N ATOM 856 CZ ARG A 56 -9.003 -9.548 -1.732 1.00 0.00 C ATOM 857 NH1 ARG A 56 -9.628 -8.959 -2.738 1.00 0.00 N ATOM 858 NH2 ARG A 56 -9.669 -10.248 -0.869 1.00 0.00 N ATOM 0 H ARG A 56 -4.583 -5.462 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.292 -6.464 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.824 -7.933 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.446 -8.593 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.935 -7.612 -2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.930 -9.277 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.308 -7.657 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.609 -9.075 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.270 -10.036 -0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.097 -8.421 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.640 -9.043 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.181 -10.712 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.682 -10.335 -0.956 1.00 0.00 H new ATOM 872 N LEU A 57 -7.674 -5.938 1.758 1.00 0.00 N ATOM 873 CA LEU A 57 -7.965 -5.631 3.142 1.00 0.00 C ATOM 874 C LEU A 57 -8.540 -6.851 3.821 1.00 0.00 C ATOM 875 O LEU A 57 -9.609 -7.328 3.447 1.00 0.00 O ATOM 876 CB LEU A 57 -8.866 -4.381 3.348 1.00 0.00 C ATOM 877 CG LEU A 57 -10.271 -4.417 2.768 1.00 0.00 C ATOM 878 CD1 LEU A 57 -11.142 -3.376 3.458 1.00 0.00 C ATOM 879 CD2 LEU A 57 -10.262 -4.146 1.274 1.00 0.00 C ATOM 0 H LEU A 57 -8.491 -5.941 1.147 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.018 -5.361 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.951 -4.202 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.349 -3.521 2.921 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.674 -5.415 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.147 -3.407 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.188 -3.590 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.715 -2.385 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.282 -4.179 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.836 -3.161 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.661 -4.903 0.770 1.00 0.00 H new ATOM 891 N ILE A 58 -7.779 -7.357 4.798 1.00 0.00 N ATOM 892 CA ILE A 58 -8.055 -8.559 5.562 1.00 0.00 C ATOM 893 C ILE A 58 -8.770 -9.685 4.808 1.00 0.00 C ATOM 894 O ILE A 58 -9.935 -9.997 5.071 1.00 0.00 O ATOM 895 CB ILE A 58 -8.658 -8.304 6.947 1.00 0.00 C ATOM 896 CG1 ILE A 58 -9.956 -7.471 6.884 1.00 0.00 C ATOM 897 CG2 ILE A 58 -7.617 -7.665 7.870 1.00 0.00 C ATOM 898 CD1 ILE A 58 -10.649 -7.287 8.222 1.00 0.00 C ATOM 0 H ILE A 58 -6.909 -6.908 5.085 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.052 -8.949 5.734 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.942 -9.270 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.724 -6.489 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.649 -7.952 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.059 -7.489 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.762 -8.333 7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.288 -6.717 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.551 -6.690 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.917 -8.262 8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.977 -6.777 8.912 1.00 0.00 H new ATOM 910 N GLU A 59 -8.050 -10.226 3.849 1.00 0.00 N ATOM 911 CA GLU A 59 -8.465 -11.318 2.975 1.00 0.00 C ATOM 912 C GLU A 59 -7.367 -11.466 1.918 1.00 0.00 C ATOM 913 O GLU A 59 -7.419 -10.790 0.862 1.00 0.00 O ATOM 914 CB GLU A 59 -9.838 -11.027 2.325 1.00 0.00 C ATOM 915 CG GLU A 59 -10.451 -12.166 1.514 1.00 0.00 C ATOM 916 CD GLU A 59 -11.852 -11.818 1.058 1.00 0.00 C ATOM 917 OE1 GLU A 59 -12.812 -12.465 1.490 1.00 0.00 O ATOM 918 OE2 GLU A 59 -12.041 -10.791 0.333 1.00 0.00 O ATOM 919 OXT GLU A 59 -6.369 -12.157 2.203 1.00 0.00 O ATOM 0 H GLU A 59 -7.105 -9.902 3.641 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.590 -12.243 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.539 -10.750 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.732 -10.160 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.825 -12.377 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.476 -13.073 2.117 1.00 0.00 H new TER 926 GLU A 59