USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN :FLIP amide:sc= -0.93 F(o=-2.2,f=-0.93) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= 0.00185 USER MOD Single : A 13 SER OG : rot -71:sc= -1.35 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -9.68! C(o=-11!,f=-9.7!) USER MOD Single : A 17 MET CE :methyl -154:sc= -12.8! (180deg=-17!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -171:sc= -1.65 (180deg=-1.86!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.274 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.138) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.79! C(o=-4.4!,f=-3.8!) USER MOD Single : A 46 THR OG1 : rot 98:sc= -0.322 USER MOD Single : A 48 GLN : amide:sc= -11.8! C(o=-12!,f=-20!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -53:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.504 -16.768 3.485 1.00 0.00 N ATOM 2 CA GLY A 1 26.856 -15.546 4.035 1.00 0.00 C ATOM 3 C GLY A 1 27.051 -14.334 3.144 1.00 0.00 C ATOM 4 O GLY A 1 26.218 -14.048 2.284 1.00 0.00 O ATOM 0 H1 GLY A 1 27.342 -17.567 4.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.097 -16.987 2.553 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.526 -16.604 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.789 -15.731 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.264 -15.336 5.024 1.00 0.00 H new ATOM 10 N SER A 2 28.154 -13.621 3.351 1.00 0.00 N ATOM 11 CA SER A 2 28.456 -12.434 2.559 1.00 0.00 C ATOM 12 C SER A 2 29.118 -12.815 1.238 1.00 0.00 C ATOM 13 O SER A 2 30.195 -13.410 1.221 1.00 0.00 O ATOM 14 CB SER A 2 29.365 -11.489 3.349 1.00 0.00 C ATOM 15 OG SER A 2 29.150 -11.624 4.743 1.00 0.00 O ATOM 0 H SER A 2 28.853 -13.844 4.060 1.00 0.00 H new ATOM 0 HA SER A 2 27.518 -11.924 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.408 -11.703 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.176 -10.459 3.046 1.00 0.00 H new ATOM 0 HG SER A 2 29.981 -11.426 5.223 1.00 0.00 H new ATOM 21 N PRO A 3 28.473 -12.478 0.111 1.00 0.00 N ATOM 22 CA PRO A 3 28.990 -12.784 -1.220 1.00 0.00 C ATOM 23 C PRO A 3 29.960 -11.720 -1.725 1.00 0.00 C ATOM 24 O PRO A 3 30.161 -10.692 -1.079 1.00 0.00 O ATOM 25 CB PRO A 3 27.722 -12.801 -2.066 1.00 0.00 C ATOM 26 CG PRO A 3 26.829 -11.792 -1.424 1.00 0.00 C ATOM 27 CD PRO A 3 27.179 -11.773 0.045 1.00 0.00 C ATOM 0 HA PRO A 3 29.560 -13.713 -1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.934 -12.541 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 3 27.263 -13.790 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.975 -10.808 -1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.781 -12.055 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 3 27.260 -10.754 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.419 -12.276 0.643 1.00 0.00 H new ATOM 35 N PRO A 4 30.574 -11.959 -2.893 1.00 0.00 N ATOM 36 CA PRO A 4 31.528 -11.022 -3.495 1.00 0.00 C ATOM 37 C PRO A 4 30.856 -9.722 -3.923 1.00 0.00 C ATOM 38 O PRO A 4 30.659 -9.478 -5.114 1.00 0.00 O ATOM 39 CB PRO A 4 32.066 -11.775 -4.720 1.00 0.00 C ATOM 40 CG PRO A 4 31.643 -13.197 -4.536 1.00 0.00 C ATOM 41 CD PRO A 4 30.385 -13.155 -3.720 1.00 0.00 C ATOM 0 HA PRO A 4 32.308 -10.731 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 4 31.660 -11.362 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.151 -11.694 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 4 31.468 -13.679 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 4 32.418 -13.771 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.498 -13.076 -4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 4 30.267 -14.052 -3.113 1.00 0.00 H new ATOM 49 N GLU A 5 30.516 -8.893 -2.942 1.00 0.00 N ATOM 50 CA GLU A 5 29.871 -7.612 -3.215 1.00 0.00 C ATOM 51 C GLU A 5 29.110 -7.095 -1.999 1.00 0.00 C ATOM 52 O GLU A 5 27.889 -7.222 -1.928 1.00 0.00 O ATOM 53 CB GLU A 5 28.914 -7.744 -4.401 1.00 0.00 C ATOM 54 CG GLU A 5 28.079 -9.013 -4.370 1.00 0.00 C ATOM 55 CD GLU A 5 26.695 -8.811 -4.953 1.00 0.00 C ATOM 56 OE1 GLU A 5 25.781 -8.427 -4.194 1.00 0.00 O ATOM 57 OE2 GLU A 5 26.525 -9.037 -6.169 1.00 0.00 O ATOM 0 H GLU A 5 30.675 -9.084 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 5 30.656 -6.894 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 5 28.248 -6.881 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 5 29.490 -7.720 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 5 28.593 -9.796 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 5 27.989 -9.360 -3.341 1.00 0.00 H new ATOM 64 N ALA A 6 29.852 -6.516 -1.053 1.00 0.00 N ATOM 65 CA ALA A 6 29.283 -5.961 0.178 1.00 0.00 C ATOM 66 C ALA A 6 29.548 -6.876 1.365 1.00 0.00 C ATOM 67 O ALA A 6 28.633 -7.247 2.100 1.00 0.00 O ATOM 68 CB ALA A 6 27.792 -5.690 0.037 1.00 0.00 C ATOM 0 H ALA A 6 30.865 -6.418 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 6 29.779 -5.008 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.407 -5.279 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 6 27.627 -4.976 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 6 27.273 -6.621 -0.191 1.00 0.00 H new ATOM 74 N ASP A 7 30.815 -7.215 1.555 1.00 0.00 N ATOM 75 CA ASP A 7 31.229 -8.064 2.662 1.00 0.00 C ATOM 76 C ASP A 7 31.779 -7.192 3.775 1.00 0.00 C ATOM 77 O ASP A 7 32.252 -6.089 3.512 1.00 0.00 O ATOM 78 CB ASP A 7 32.290 -9.067 2.204 1.00 0.00 C ATOM 79 CG ASP A 7 31.931 -9.730 0.889 1.00 0.00 C ATOM 80 OD1 ASP A 7 31.585 -9.004 -0.068 1.00 0.00 O ATOM 81 OD2 ASP A 7 31.996 -10.975 0.812 1.00 0.00 O ATOM 0 H ASP A 7 31.579 -6.912 0.951 1.00 0.00 H new ATOM 0 HA ASP A 7 30.368 -8.625 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.248 -8.557 2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.418 -9.832 2.970 1.00 0.00 H new ATOM 86 N PRO A 8 31.732 -7.660 5.030 1.00 0.00 N ATOM 87 CA PRO A 8 32.237 -6.903 6.162 1.00 0.00 C ATOM 88 C PRO A 8 33.388 -5.993 5.751 1.00 0.00 C ATOM 89 O PRO A 8 33.331 -4.777 5.924 1.00 0.00 O ATOM 90 CB PRO A 8 32.705 -8.009 7.101 1.00 0.00 C ATOM 91 CG PRO A 8 31.774 -9.155 6.839 1.00 0.00 C ATOM 92 CD PRO A 8 31.205 -8.966 5.447 1.00 0.00 C ATOM 0 HA PRO A 8 31.501 -6.234 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.740 -8.286 6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.657 -7.690 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.304 -10.105 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.975 -9.178 7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.524 -9.761 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.115 -8.974 5.455 1.00 0.00 H new ATOM 100 N ARG A 9 34.429 -6.601 5.199 1.00 0.00 N ATOM 101 CA ARG A 9 35.607 -5.872 4.746 1.00 0.00 C ATOM 102 C ARG A 9 35.259 -4.817 3.691 1.00 0.00 C ATOM 103 O ARG A 9 35.616 -3.654 3.831 1.00 0.00 O ATOM 104 CB ARG A 9 36.617 -6.862 4.165 1.00 0.00 C ATOM 105 CG ARG A 9 37.022 -7.961 5.137 1.00 0.00 C ATOM 106 CD ARG A 9 37.514 -7.389 6.457 1.00 0.00 C ATOM 107 NE ARG A 9 38.033 -8.428 7.343 1.00 0.00 N ATOM 108 CZ ARG A 9 38.294 -8.236 8.632 1.00 0.00 C ATOM 109 NH1 ARG A 9 38.091 -7.047 9.183 1.00 0.00 N ATOM 110 NH2 ARG A 9 38.756 -9.233 9.374 1.00 0.00 N ATOM 0 H ARG A 9 34.482 -7.609 5.053 1.00 0.00 H new ATOM 0 HA ARG A 9 36.032 -5.352 5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.193 -7.318 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.508 -6.318 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.171 -8.618 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.806 -8.572 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.295 -6.653 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.697 -6.865 6.952 1.00 0.00 H new ATOM 0 HE ARG A 9 38.205 -9.353 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.734 -6.277 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 9 38.292 -6.902 10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.912 -10.150 8.956 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.955 -9.083 10.363 1.00 0.00 H new ATOM 124 N LEU A 10 34.592 -5.243 2.621 1.00 0.00 N ATOM 125 CA LEU A 10 34.229 -4.345 1.528 1.00 0.00 C ATOM 126 C LEU A 10 33.111 -3.384 1.935 1.00 0.00 C ATOM 127 O LEU A 10 32.971 -2.297 1.378 1.00 0.00 O ATOM 128 CB LEU A 10 33.837 -5.162 0.296 1.00 0.00 C ATOM 129 CG LEU A 10 34.977 -5.985 -0.327 1.00 0.00 C ATOM 130 CD1 LEU A 10 35.497 -5.311 -1.584 1.00 0.00 C ATOM 131 CD2 LEU A 10 36.118 -6.190 0.664 1.00 0.00 C ATOM 0 H LEU A 10 34.291 -6.208 2.488 1.00 0.00 H new ATOM 0 HA LEU A 10 35.097 -3.733 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.028 -5.839 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.443 -4.484 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 10 34.573 -6.963 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 10 36.303 -5.908 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.689 -5.222 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.873 -4.319 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.908 -6.775 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 10 36.515 -5.221 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.747 -6.720 1.541 1.00 0.00 H new ATOM 143 N ILE A 11 32.352 -3.755 2.948 1.00 0.00 N ATOM 144 CA ILE A 11 31.304 -2.879 3.446 1.00 0.00 C ATOM 145 C ILE A 11 31.898 -1.965 4.511 1.00 0.00 C ATOM 146 O ILE A 11 31.344 -0.918 4.847 1.00 0.00 O ATOM 147 CB ILE A 11 30.110 -3.662 4.028 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.920 -2.725 4.250 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.501 -4.349 5.327 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.636 -3.221 3.618 1.00 0.00 C ATOM 0 H ILE A 11 32.437 -4.645 3.439 1.00 0.00 H new ATOM 0 HA ILE A 11 30.920 -2.296 2.609 1.00 0.00 H new ATOM 0 HB ILE A 11 29.818 -4.431 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 11 28.763 -2.597 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 11 29.160 -1.743 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.645 -4.896 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.320 -5.043 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.819 -3.601 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.835 -2.509 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.776 -3.322 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 11 27.372 -4.190 4.042 1.00 0.00 H new ATOM 162 N GLU A 12 33.063 -2.377 5.002 1.00 0.00 N ATOM 163 CA GLU A 12 33.803 -1.620 5.998 1.00 0.00 C ATOM 164 C GLU A 12 34.873 -0.761 5.329 1.00 0.00 C ATOM 165 O GLU A 12 34.901 0.460 5.492 1.00 0.00 O ATOM 166 CB GLU A 12 34.457 -2.561 7.011 1.00 0.00 C ATOM 167 CG GLU A 12 35.047 -1.839 8.212 1.00 0.00 C ATOM 168 CD GLU A 12 33.995 -1.445 9.230 1.00 0.00 C ATOM 169 OE1 GLU A 12 33.251 -2.335 9.690 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.917 -0.244 9.568 1.00 0.00 O ATOM 0 H GLU A 12 33.518 -3.245 4.719 1.00 0.00 H new ATOM 0 HA GLU A 12 33.101 -0.970 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.716 -3.282 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.245 -3.127 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.787 -2.481 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 12 35.571 -0.946 7.873 1.00 0.00 H new ATOM 177 N SER A 13 35.777 -1.425 4.612 1.00 0.00 N ATOM 178 CA SER A 13 36.893 -0.759 3.948 1.00 0.00 C ATOM 179 C SER A 13 36.611 -0.375 2.489 1.00 0.00 C ATOM 180 O SER A 13 37.076 0.671 2.038 1.00 0.00 O ATOM 181 CB SER A 13 38.130 -1.655 4.002 1.00 0.00 C ATOM 182 OG SER A 13 38.437 -2.178 2.722 1.00 0.00 O ATOM 0 H SER A 13 35.756 -2.436 4.476 1.00 0.00 H new ATOM 0 HA SER A 13 37.057 0.173 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.979 -1.085 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 13 37.960 -2.473 4.701 1.00 0.00 H new ATOM 0 HG SER A 13 37.761 -2.840 2.468 1.00 0.00 H new ATOM 188 N LEU A 14 35.873 -1.199 1.737 1.00 0.00 N ATOM 189 CA LEU A 14 35.608 -0.855 0.339 1.00 0.00 C ATOM 190 C LEU A 14 34.590 0.268 0.264 1.00 0.00 C ATOM 191 O LEU A 14 34.930 1.380 -0.129 1.00 0.00 O ATOM 192 CB LEU A 14 35.162 -2.065 -0.491 1.00 0.00 C ATOM 193 CG LEU A 14 34.806 -1.742 -1.946 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.765 -2.432 -2.906 1.00 0.00 C ATOM 195 CD2 LEU A 14 33.370 -2.145 -2.245 1.00 0.00 C ATOM 0 H LEU A 14 35.463 -2.076 2.058 1.00 0.00 H new ATOM 0 HA LEU A 14 36.546 -0.514 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.958 -2.809 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 34.296 -2.519 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 14 34.901 -0.665 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.491 -2.187 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.782 -2.092 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.709 -3.511 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.134 -1.908 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 14 33.251 -3.216 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 14 32.694 -1.600 -1.586 1.00 0.00 H new ATOM 207 N SER A 15 33.348 0.002 0.661 1.00 0.00 N ATOM 208 CA SER A 15 32.327 1.046 0.648 1.00 0.00 C ATOM 209 C SER A 15 32.956 2.344 1.132 1.00 0.00 C ATOM 210 O SER A 15 33.010 3.335 0.409 1.00 0.00 O ATOM 211 CB SER A 15 31.150 0.660 1.547 1.00 0.00 C ATOM 212 OG SER A 15 30.118 1.628 1.484 1.00 0.00 O ATOM 0 H SER A 15 33.028 -0.909 0.990 1.00 0.00 H new ATOM 0 HA SER A 15 31.946 1.172 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.760 -0.311 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.494 0.557 2.576 1.00 0.00 H new ATOM 0 HG SER A 15 29.378 1.356 2.066 1.00 0.00 H new ATOM 218 N GLN A 16 33.440 2.315 2.366 1.00 0.00 N ATOM 219 CA GLN A 16 34.093 3.470 2.963 1.00 0.00 C ATOM 220 C GLN A 16 35.017 4.140 1.954 1.00 0.00 C ATOM 221 O GLN A 16 35.157 5.360 1.941 1.00 0.00 O ATOM 222 CB GLN A 16 34.904 3.039 4.190 1.00 0.00 C ATOM 223 CG GLN A 16 35.323 4.189 5.096 1.00 0.00 C ATOM 224 CD GLN A 16 36.010 5.323 4.352 1.00 0.00 C ATOM 225 OE1 GLN A 16 36.973 4.985 3.499 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 35.682 6.492 4.548 1.00 0.00 N flip ATOM 0 H GLN A 16 33.392 1.499 2.976 1.00 0.00 H new ATOM 0 HA GLN A 16 33.325 4.181 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.314 2.330 4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.797 2.511 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 16 34.442 4.580 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 16 35.995 3.809 5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 16 34.938 6.709 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 16 36.154 7.245 4.047 1.00 0.00 H new ATOM 235 N MET A 17 35.644 3.337 1.101 1.00 0.00 N ATOM 236 CA MET A 17 36.551 3.869 0.092 1.00 0.00 C ATOM 237 C MET A 17 35.774 4.541 -1.029 1.00 0.00 C ATOM 238 O MET A 17 36.273 5.460 -1.679 1.00 0.00 O ATOM 239 CB MET A 17 37.447 2.765 -0.476 1.00 0.00 C ATOM 240 CG MET A 17 38.708 2.532 0.337 1.00 0.00 C ATOM 241 SD MET A 17 39.805 3.960 0.332 1.00 0.00 S ATOM 242 CE MET A 17 39.793 4.381 -1.409 1.00 0.00 C ATOM 0 H MET A 17 35.542 2.322 1.088 1.00 0.00 H new ATOM 0 HA MET A 17 37.185 4.614 0.573 1.00 0.00 H new ATOM 0 HB2 MET A 17 36.879 1.836 -0.525 1.00 0.00 H new ATOM 0 HB3 MET A 17 37.725 3.023 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.435 2.291 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 17 39.239 1.668 -0.062 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.717 4.899 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 17 39.712 3.471 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 17 38.943 5.030 -1.621 1.00 0.00 H new ATOM 252 N LEU A 18 34.541 4.091 -1.247 1.00 0.00 N ATOM 253 CA LEU A 18 33.698 4.672 -2.285 1.00 0.00 C ATOM 254 C LEU A 18 32.832 5.799 -1.719 1.00 0.00 C ATOM 255 O LEU A 18 32.973 6.959 -2.106 1.00 0.00 O ATOM 256 CB LEU A 18 32.805 3.597 -2.908 1.00 0.00 C ATOM 257 CG LEU A 18 33.227 3.132 -4.302 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.967 4.222 -5.331 1.00 0.00 C ATOM 259 CD2 LEU A 18 34.695 2.731 -4.308 1.00 0.00 C ATOM 0 H LEU A 18 34.107 3.331 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 18 34.349 5.087 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.786 2.733 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.786 3.980 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 18 32.630 2.260 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.274 3.872 -6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 18 31.904 4.462 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.537 5.113 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.978 2.403 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 18 35.307 3.586 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.853 1.917 -3.601 1.00 0.00 H new ATOM 271 N SER A 19 31.914 5.439 -0.823 1.00 0.00 N ATOM 272 CA SER A 19 30.984 6.394 -0.211 1.00 0.00 C ATOM 273 C SER A 19 31.674 7.456 0.657 1.00 0.00 C ATOM 274 O SER A 19 30.999 8.282 1.270 1.00 0.00 O ATOM 275 CB SER A 19 29.949 5.645 0.628 1.00 0.00 C ATOM 276 OG SER A 19 28.641 6.125 0.369 1.00 0.00 O ATOM 0 H SER A 19 31.792 4.479 -0.500 1.00 0.00 H new ATOM 0 HA SER A 19 30.504 6.924 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.999 4.579 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 19 30.180 5.762 1.687 1.00 0.00 H new ATOM 0 HG SER A 19 27.996 5.630 0.916 1.00 0.00 H new ATOM 282 N MET A 20 33.001 7.467 0.685 1.00 0.00 N ATOM 283 CA MET A 20 33.726 8.472 1.454 1.00 0.00 C ATOM 284 C MET A 20 33.986 9.677 0.566 1.00 0.00 C ATOM 285 O MET A 20 34.155 10.801 1.040 1.00 0.00 O ATOM 286 CB MET A 20 35.048 7.910 1.982 1.00 0.00 C ATOM 287 CG MET A 20 36.006 8.974 2.493 1.00 0.00 C ATOM 288 SD MET A 20 35.687 9.432 4.207 1.00 0.00 S ATOM 289 CE MET A 20 34.385 10.644 3.999 1.00 0.00 C ATOM 0 H MET A 20 33.592 6.799 0.190 1.00 0.00 H new ATOM 0 HA MET A 20 33.123 8.767 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.837 7.207 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.536 7.347 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 20 37.029 8.609 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.927 9.860 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 20 34.191 11.136 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 20 34.693 11.387 3.263 1.00 0.00 H new ATOM 0 HE3 MET A 20 33.477 10.148 3.655 1.00 0.00 H new ATOM 299 N GLY A 21 34.028 9.412 -0.733 1.00 0.00 N ATOM 300 CA GLY A 21 34.282 10.453 -1.704 1.00 0.00 C ATOM 301 C GLY A 21 35.590 10.227 -2.428 1.00 0.00 C ATOM 302 O GLY A 21 36.104 11.125 -3.095 1.00 0.00 O ATOM 0 H GLY A 21 33.889 8.484 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.466 10.486 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.304 11.421 -1.204 1.00 0.00 H new ATOM 306 N PHE A 22 36.129 9.017 -2.298 1.00 0.00 N ATOM 307 CA PHE A 22 37.377 8.658 -2.938 1.00 0.00 C ATOM 308 C PHE A 22 37.178 7.382 -3.734 1.00 0.00 C ATOM 309 O PHE A 22 36.056 6.885 -3.843 1.00 0.00 O ATOM 310 CB PHE A 22 38.486 8.479 -1.900 1.00 0.00 C ATOM 311 CG PHE A 22 38.893 9.764 -1.232 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.794 10.971 -1.905 1.00 0.00 C ATOM 313 CD2 PHE A 22 39.374 9.766 0.069 1.00 0.00 C ATOM 314 CE1 PHE A 22 39.165 12.155 -1.295 1.00 0.00 C ATOM 315 CE2 PHE A 22 39.747 10.946 0.683 1.00 0.00 C ATOM 316 CZ PHE A 22 39.642 12.142 0.001 1.00 0.00 C ATOM 0 H PHE A 22 35.710 8.267 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 22 37.680 9.460 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.151 7.773 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.358 8.037 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 22 38.422 10.987 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 22 39.458 8.834 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 22 39.082 13.089 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 22 40.121 10.933 1.696 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.932 13.065 0.480 1.00 0.00 H new ATOM 326 N SER A 23 38.250 6.840 -4.279 1.00 0.00 N ATOM 327 CA SER A 23 38.149 5.614 -5.046 1.00 0.00 C ATOM 328 C SER A 23 39.483 4.865 -5.019 1.00 0.00 C ATOM 329 O SER A 23 40.095 4.730 -3.960 1.00 0.00 O ATOM 330 CB SER A 23 37.724 5.924 -6.482 1.00 0.00 C ATOM 331 OG SER A 23 36.493 6.626 -6.511 1.00 0.00 O ATOM 0 H SER A 23 39.192 7.225 -4.206 1.00 0.00 H new ATOM 0 HA SER A 23 37.389 4.974 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.496 6.517 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.630 4.995 -7.045 1.00 0.00 H new ATOM 0 HG SER A 23 36.245 6.813 -7.440 1.00 0.00 H new ATOM 337 N ASP A 24 39.939 4.384 -6.175 1.00 0.00 N ATOM 338 CA ASP A 24 41.206 3.667 -6.251 1.00 0.00 C ATOM 339 C ASP A 24 42.165 4.386 -7.196 1.00 0.00 C ATOM 340 O ASP A 24 41.886 4.526 -8.387 1.00 0.00 O ATOM 341 CB ASP A 24 40.973 2.231 -6.728 1.00 0.00 C ATOM 342 CG ASP A 24 40.352 2.172 -8.111 1.00 0.00 C ATOM 343 OD1 ASP A 24 41.104 2.265 -9.104 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.114 2.032 -8.201 1.00 0.00 O ATOM 0 H ASP A 24 39.451 4.478 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 24 41.651 3.639 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 24 41.923 1.696 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.324 1.717 -6.019 1.00 0.00 H new ATOM 349 N GLU A 25 43.290 4.854 -6.662 1.00 0.00 N ATOM 350 CA GLU A 25 44.272 5.570 -7.468 1.00 0.00 C ATOM 351 C GLU A 25 44.412 4.924 -8.831 1.00 0.00 C ATOM 352 O GLU A 25 44.110 5.526 -9.861 1.00 0.00 O ATOM 353 CB GLU A 25 45.635 5.605 -6.769 1.00 0.00 C ATOM 354 CG GLU A 25 46.056 6.993 -6.323 1.00 0.00 C ATOM 355 CD GLU A 25 47.552 7.213 -6.438 1.00 0.00 C ATOM 356 OE1 GLU A 25 48.112 6.933 -7.519 1.00 0.00 O ATOM 357 OE2 GLU A 25 48.162 7.666 -5.447 1.00 0.00 O ATOM 0 H GLU A 25 43.543 4.751 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 25 43.919 6.594 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.605 4.947 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 25 46.391 5.205 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.536 7.738 -6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.748 7.147 -5.289 1.00 0.00 H new ATOM 364 N GLY A 26 44.871 3.693 -8.814 1.00 0.00 N ATOM 365 CA GLY A 26 45.058 2.947 -10.039 1.00 0.00 C ATOM 366 C GLY A 26 44.579 1.517 -9.915 1.00 0.00 C ATOM 367 O GLY A 26 45.202 0.597 -10.443 1.00 0.00 O ATOM 0 H GLY A 26 45.122 3.186 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 26 44.520 3.440 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.114 2.953 -10.309 1.00 0.00 H new ATOM 371 N GLY A 27 43.469 1.331 -9.209 1.00 0.00 N ATOM 372 CA GLY A 27 42.928 0.002 -9.022 1.00 0.00 C ATOM 373 C GLY A 27 43.623 -0.726 -7.897 1.00 0.00 C ATOM 374 O GLY A 27 43.916 -1.918 -8.001 1.00 0.00 O ATOM 0 H GLY A 27 42.936 2.078 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 27 41.861 0.069 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.033 -0.568 -9.945 1.00 0.00 H new ATOM 378 N TRP A 28 43.881 -0.007 -6.812 1.00 0.00 N ATOM 379 CA TRP A 28 44.539 -0.601 -5.664 1.00 0.00 C ATOM 380 C TRP A 28 43.533 -1.033 -4.610 1.00 0.00 C ATOM 381 O TRP A 28 43.754 -2.026 -3.928 1.00 0.00 O ATOM 382 CB TRP A 28 45.596 0.333 -5.065 1.00 0.00 C ATOM 383 CG TRP A 28 45.058 1.607 -4.496 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.296 2.861 -4.969 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.214 1.765 -3.345 1.00 0.00 C ATOM 386 NE1 TRP A 28 44.663 3.789 -4.185 1.00 0.00 N ATOM 387 CE2 TRP A 28 43.986 3.143 -3.189 1.00 0.00 C ATOM 388 CE3 TRP A 28 43.625 0.885 -2.432 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.201 3.659 -2.164 1.00 0.00 C ATOM 390 CZ3 TRP A 28 42.845 1.399 -1.416 1.00 0.00 C ATOM 391 CH2 TRP A 28 42.639 2.775 -1.291 1.00 0.00 C ATOM 0 H TRP A 28 43.646 0.980 -6.706 1.00 0.00 H new ATOM 0 HA TRP A 28 45.056 -1.493 -6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.130 -0.202 -4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 28 46.325 0.576 -5.838 1.00 0.00 H new ATOM 0 HD1 TRP A 28 45.897 3.091 -5.837 1.00 0.00 H new ATOM 0 HE1 TRP A 28 44.692 4.799 -4.322 1.00 0.00 H new ATOM 0 HE3 TRP A 28 43.778 -0.180 -2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.042 4.722 -2.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.386 0.727 -0.706 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.022 3.146 -0.486 1.00 0.00 H new ATOM 402 N LEU A 29 42.416 -0.313 -4.477 1.00 0.00 N ATOM 403 CA LEU A 29 41.396 -0.682 -3.496 1.00 0.00 C ATOM 404 C LEU A 29 41.303 -2.196 -3.399 1.00 0.00 C ATOM 405 O LEU A 29 41.609 -2.789 -2.364 1.00 0.00 O ATOM 406 CB LEU A 29 40.044 -0.067 -3.884 1.00 0.00 C ATOM 407 CG LEU A 29 38.798 -0.864 -3.480 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.297 -0.410 -2.117 1.00 0.00 C ATOM 409 CD2 LEU A 29 37.708 -0.702 -4.529 1.00 0.00 C ATOM 0 H LEU A 29 42.198 0.517 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 29 41.674 -0.291 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 29 39.977 0.924 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.027 0.070 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 29 39.064 -1.919 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.412 -0.985 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.076 -0.568 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.043 0.649 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 29 36.828 -1.273 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.444 0.352 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.070 -1.069 -5.489 1.00 0.00 H new ATOM 421 N THR A 30 40.880 -2.811 -4.490 1.00 0.00 N ATOM 422 CA THR A 30 40.745 -4.255 -4.547 1.00 0.00 C ATOM 423 C THR A 30 42.056 -4.960 -4.180 1.00 0.00 C ATOM 424 O THR A 30 42.034 -6.066 -3.639 1.00 0.00 O ATOM 425 CB THR A 30 40.287 -4.686 -5.943 1.00 0.00 C ATOM 426 OG1 THR A 30 40.537 -6.064 -6.153 1.00 0.00 O ATOM 427 CG2 THR A 30 40.964 -3.921 -7.062 1.00 0.00 C ATOM 0 H THR A 30 40.623 -2.330 -5.352 1.00 0.00 H new ATOM 0 HA THR A 30 39.994 -4.549 -3.814 1.00 0.00 H new ATOM 0 HB THR A 30 39.219 -4.470 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.235 -6.318 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.593 -4.277 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.746 -2.858 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.042 -4.077 -7.009 1.00 0.00 H new ATOM 435 N ARG A 31 43.198 -4.334 -4.486 1.00 0.00 N ATOM 436 CA ARG A 31 44.504 -4.936 -4.191 1.00 0.00 C ATOM 437 C ARG A 31 45.095 -4.446 -2.866 1.00 0.00 C ATOM 438 O ARG A 31 45.223 -5.209 -1.909 1.00 0.00 O ATOM 439 CB ARG A 31 45.486 -4.607 -5.315 1.00 0.00 C ATOM 440 CG ARG A 31 45.316 -5.455 -6.565 1.00 0.00 C ATOM 441 CD ARG A 31 43.896 -5.977 -6.708 1.00 0.00 C ATOM 442 NE ARG A 31 43.737 -6.789 -7.910 1.00 0.00 N ATOM 443 CZ ARG A 31 44.153 -8.047 -8.008 1.00 0.00 C ATOM 444 NH1 ARG A 31 44.723 -8.642 -6.969 1.00 0.00 N ATOM 445 NH2 ARG A 31 43.997 -8.710 -9.146 1.00 0.00 N ATOM 0 H ARG A 31 43.245 -3.419 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 31 44.346 -6.011 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 31 45.372 -3.557 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.502 -4.732 -4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 31 45.575 -4.863 -7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 31 46.010 -6.295 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 31 43.637 -6.570 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 31 43.202 -5.138 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 31 43.281 -6.368 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 31 44.843 -8.134 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 31 45.042 -9.608 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 31 43.558 -8.254 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 31 44.316 -9.676 -9.221 1.00 0.00 H new ATOM 459 N LEU A 32 45.471 -3.169 -2.833 1.00 0.00 N ATOM 460 CA LEU A 32 46.072 -2.561 -1.650 1.00 0.00 C ATOM 461 C LEU A 32 45.338 -2.983 -0.381 1.00 0.00 C ATOM 462 O LEU A 32 45.950 -3.539 0.529 1.00 0.00 O ATOM 463 CB LEU A 32 46.107 -1.034 -1.808 1.00 0.00 C ATOM 464 CG LEU A 32 45.688 -0.215 -0.584 1.00 0.00 C ATOM 465 CD1 LEU A 32 46.487 -0.626 0.633 1.00 0.00 C ATOM 466 CD2 LEU A 32 45.878 1.269 -0.848 1.00 0.00 C ATOM 0 H LEU A 32 45.368 -2.530 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 32 47.098 -2.916 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.120 -0.742 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.458 -0.761 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 32 44.633 -0.409 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.174 -0.032 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.316 -1.682 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.548 -0.460 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.575 1.837 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.927 1.468 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.268 1.568 -1.700 1.00 0.00 H new ATOM 478 N LEU A 33 44.026 -2.743 -0.325 1.00 0.00 N ATOM 479 CA LEU A 33 43.234 -3.140 0.841 1.00 0.00 C ATOM 480 C LEU A 33 43.740 -4.485 1.349 1.00 0.00 C ATOM 481 O LEU A 33 44.264 -4.598 2.449 1.00 0.00 O ATOM 482 CB LEU A 33 41.753 -3.242 0.466 1.00 0.00 C ATOM 483 CG LEU A 33 41.049 -1.904 0.223 1.00 0.00 C ATOM 484 CD1 LEU A 33 39.617 -2.134 -0.235 1.00 0.00 C ATOM 485 CD2 LEU A 33 41.075 -1.049 1.481 1.00 0.00 C ATOM 0 H LEU A 33 43.495 -2.282 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 33 43.339 -2.390 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.664 -3.850 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.229 -3.771 1.262 1.00 0.00 H new ATOM 0 HG LEU A 33 41.583 -1.372 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.130 -1.173 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.619 -2.707 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 33 39.074 -2.686 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.570 -0.103 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.565 -1.574 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 42.109 -0.857 1.769 1.00 0.00 H new ATOM 497 N GLN A 34 43.566 -5.491 0.512 1.00 0.00 N ATOM 498 CA GLN A 34 44.002 -6.848 0.824 1.00 0.00 C ATOM 499 C GLN A 34 45.339 -6.828 1.581 1.00 0.00 C ATOM 500 O GLN A 34 45.515 -7.537 2.573 1.00 0.00 O ATOM 501 CB GLN A 34 44.153 -7.642 -0.466 1.00 0.00 C ATOM 502 CG GLN A 34 42.849 -7.836 -1.223 1.00 0.00 C ATOM 503 CD GLN A 34 42.331 -9.259 -1.142 1.00 0.00 C ATOM 504 OE1 GLN A 34 41.866 -9.654 0.037 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 42.347 -9.995 -2.128 1.00 0.00 N flip ATOM 0 H GLN A 34 43.121 -5.396 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 34 43.252 -7.319 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.866 -7.132 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.576 -8.619 -0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 34 42.097 -7.157 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.997 -7.567 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 34 42.713 -9.651 -3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 34 41.994 -10.949 -2.058 1.00 0.00 H new ATOM 514 N THR A 35 46.279 -6.007 1.096 1.00 0.00 N ATOM 515 CA THR A 35 47.614 -5.870 1.703 1.00 0.00 C ATOM 516 C THR A 35 47.562 -5.146 3.055 1.00 0.00 C ATOM 517 O THR A 35 48.583 -4.969 3.721 1.00 0.00 O ATOM 518 CB THR A 35 48.549 -5.126 0.751 1.00 0.00 C ATOM 519 OG1 THR A 35 48.390 -5.595 -0.575 1.00 0.00 O ATOM 520 CG2 THR A 35 50.011 -5.267 1.116 1.00 0.00 C ATOM 0 H THR A 35 46.139 -5.419 0.274 1.00 0.00 H new ATOM 0 HA THR A 35 47.995 -6.875 1.882 1.00 0.00 H new ATOM 0 HB THR A 35 48.270 -4.076 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 35 48.996 -5.106 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.620 -4.715 0.400 1.00 0.00 H new ATOM 0 HG22 THR A 35 50.176 -4.868 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 35 50.291 -6.320 1.095 1.00 0.00 H new ATOM 528 N LYS A 36 46.361 -4.771 3.457 1.00 0.00 N ATOM 529 CA LYS A 36 46.128 -4.110 4.733 1.00 0.00 C ATOM 530 C LYS A 36 44.996 -4.819 5.454 1.00 0.00 C ATOM 531 O LYS A 36 44.267 -4.220 6.242 1.00 0.00 O ATOM 532 CB LYS A 36 45.776 -2.636 4.536 1.00 0.00 C ATOM 533 CG LYS A 36 46.459 -1.997 3.343 1.00 0.00 C ATOM 534 CD LYS A 36 47.842 -1.483 3.701 1.00 0.00 C ATOM 535 CE LYS A 36 48.931 -2.253 2.973 1.00 0.00 C ATOM 536 NZ LYS A 36 49.822 -1.351 2.189 1.00 0.00 N ATOM 0 H LYS A 36 45.515 -4.916 2.907 1.00 0.00 H new ATOM 0 HA LYS A 36 47.041 -4.159 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.696 -2.543 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 36 46.047 -2.084 5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 36 46.538 -2.725 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 36 45.849 -1.174 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.914 -0.425 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.994 -1.566 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.526 -2.812 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.474 -2.983 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 50.756 -1.795 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 49.406 -1.182 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 49.926 -0.445 2.689 1.00 0.00 H new ATOM 550 N ASN A 37 44.837 -6.104 5.145 1.00 0.00 N ATOM 551 CA ASN A 37 43.772 -6.906 5.728 1.00 0.00 C ATOM 552 C ASN A 37 42.431 -6.235 5.471 1.00 0.00 C ATOM 553 O ASN A 37 41.549 -6.235 6.330 1.00 0.00 O ATOM 554 CB ASN A 37 43.982 -7.118 7.236 1.00 0.00 C ATOM 555 CG ASN A 37 45.073 -6.239 7.818 1.00 0.00 C ATOM 556 OD1 ASN A 37 44.673 -5.167 8.495 1.00 0.00 O flip ATOM 557 ND2 ASN A 37 46.261 -6.519 7.664 1.00 0.00 N flip ATOM 0 H ASN A 37 45.435 -6.610 4.492 1.00 0.00 H new ATOM 0 HA ASN A 37 43.787 -7.888 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.046 -6.918 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.231 -8.163 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 37 46.525 -7.352 7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 37 46.982 -5.918 8.063 1.00 0.00 H new ATOM 564 N TYR A 38 42.291 -5.646 4.282 1.00 0.00 N ATOM 565 CA TYR A 38 41.068 -4.954 3.913 1.00 0.00 C ATOM 566 C TYR A 38 40.833 -3.776 4.846 1.00 0.00 C ATOM 567 O TYR A 38 39.806 -3.695 5.519 1.00 0.00 O ATOM 568 CB TYR A 38 39.876 -5.908 3.957 1.00 0.00 C ATOM 569 CG TYR A 38 39.672 -6.685 2.674 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.438 -6.030 1.472 1.00 0.00 C ATOM 571 CD2 TYR A 38 39.714 -8.074 2.668 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.252 -6.737 0.299 1.00 0.00 C ATOM 573 CE2 TYR A 38 39.529 -8.788 1.499 1.00 0.00 C ATOM 574 CZ TYR A 38 39.298 -8.115 0.319 1.00 0.00 C ATOM 575 OH TYR A 38 39.112 -8.824 -0.848 1.00 0.00 O ATOM 0 H TYR A 38 43.013 -5.638 3.562 1.00 0.00 H new ATOM 0 HA TYR A 38 41.174 -4.583 2.894 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.014 -6.610 4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.973 -5.337 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 38 39.401 -4.951 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 38 39.894 -8.604 3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 38 39.072 -6.213 -0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 38 39.565 -9.867 1.510 1.00 0.00 H new ATOM 0 HH TYR A 38 39.176 -9.784 -0.661 1.00 0.00 H new ATOM 585 N ASP A 39 41.805 -2.870 4.893 1.00 0.00 N ATOM 586 CA ASP A 39 41.707 -1.701 5.768 1.00 0.00 C ATOM 587 C ASP A 39 41.699 -0.398 4.979 1.00 0.00 C ATOM 588 O ASP A 39 42.366 -0.271 3.953 1.00 0.00 O ATOM 589 CB ASP A 39 42.856 -1.692 6.777 1.00 0.00 C ATOM 590 CG ASP A 39 42.484 -2.377 8.078 1.00 0.00 C ATOM 591 OD1 ASP A 39 41.460 -3.093 8.100 1.00 0.00 O ATOM 592 OD2 ASP A 39 43.215 -2.197 9.074 1.00 0.00 O ATOM 0 H ASP A 39 42.662 -2.919 4.342 1.00 0.00 H new ATOM 0 HA ASP A 39 40.758 -1.774 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.723 -2.189 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.149 -0.662 6.982 1.00 0.00 H new ATOM 597 N ILE A 40 40.944 0.577 5.484 1.00 0.00 N ATOM 598 CA ILE A 40 40.853 1.880 4.852 1.00 0.00 C ATOM 599 C ILE A 40 41.927 2.791 5.406 1.00 0.00 C ATOM 600 O ILE A 40 42.407 3.702 4.731 1.00 0.00 O ATOM 601 CB ILE A 40 39.475 2.532 5.077 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.980 2.262 6.501 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.475 2.019 4.053 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.172 0.989 6.632 1.00 0.00 C ATOM 0 H ILE A 40 40.387 0.482 6.333 1.00 0.00 H new ATOM 0 HA ILE A 40 40.991 1.736 3.780 1.00 0.00 H new ATOM 0 HB ILE A 40 39.575 3.610 4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.838 2.208 7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.371 3.104 6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.506 2.488 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 40 38.824 2.263 3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.377 0.938 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.856 0.864 7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.294 1.048 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.784 0.137 6.334 1.00 0.00 H new ATOM 616 N GLY A 41 42.292 2.534 6.653 1.00 0.00 N ATOM 617 CA GLY A 41 43.299 3.330 7.306 1.00 0.00 C ATOM 618 C GLY A 41 44.421 3.712 6.373 1.00 0.00 C ATOM 619 O GLY A 41 44.830 4.872 6.310 1.00 0.00 O ATOM 0 H GLY A 41 41.904 1.783 7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.840 4.233 7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.706 2.775 8.152 1.00 0.00 H new ATOM 623 N ALA A 42 44.907 2.727 5.643 1.00 0.00 N ATOM 624 CA ALA A 42 45.985 2.933 4.687 1.00 0.00 C ATOM 625 C ALA A 42 45.444 3.042 3.272 1.00 0.00 C ATOM 626 O ALA A 42 46.141 3.490 2.362 1.00 0.00 O ATOM 627 CB ALA A 42 47.005 1.808 4.785 1.00 0.00 C ATOM 0 H ALA A 42 44.570 1.766 5.693 1.00 0.00 H new ATOM 0 HA ALA A 42 46.480 3.873 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.804 1.978 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.424 1.783 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.519 0.856 4.571 1.00 0.00 H new ATOM 633 N ALA A 43 44.193 2.639 3.093 1.00 0.00 N ATOM 634 CA ALA A 43 43.560 2.705 1.785 1.00 0.00 C ATOM 635 C ALA A 43 43.519 4.143 1.291 1.00 0.00 C ATOM 636 O ALA A 43 43.936 4.438 0.171 1.00 0.00 O ATOM 637 CB ALA A 43 42.161 2.113 1.845 1.00 0.00 C ATOM 0 H ALA A 43 43.600 2.265 3.834 1.00 0.00 H new ATOM 0 HA ALA A 43 44.148 2.118 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.700 2.169 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.220 1.071 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.559 2.674 2.560 1.00 0.00 H new ATOM 643 N LEU A 44 43.032 5.043 2.139 1.00 0.00 N ATOM 644 CA LEU A 44 42.958 6.453 1.789 1.00 0.00 C ATOM 645 C LEU A 44 44.352 6.996 1.498 1.00 0.00 C ATOM 646 O LEU A 44 44.606 7.573 0.440 1.00 0.00 O ATOM 647 CB LEU A 44 42.318 7.252 2.925 1.00 0.00 C ATOM 648 CG LEU A 44 40.795 7.162 3.001 1.00 0.00 C ATOM 649 CD1 LEU A 44 40.373 5.967 3.843 1.00 0.00 C ATOM 650 CD2 LEU A 44 40.217 8.450 3.572 1.00 0.00 C ATOM 0 H LEU A 44 42.684 4.820 3.071 1.00 0.00 H new ATOM 0 HA LEU A 44 42.342 6.555 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 44 42.735 6.907 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 44 42.600 8.299 2.816 1.00 0.00 H new ATOM 0 HG LEU A 44 40.405 7.025 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 44 39.285 5.918 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 44 40.760 5.052 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.772 6.074 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 44 39.131 8.371 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.614 8.614 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 44 40.492 9.288 2.931 1.00 0.00 H new ATOM 662 N ASP A 45 45.240 6.814 2.464 1.00 0.00 N ATOM 663 CA ASP A 45 46.613 7.282 2.365 1.00 0.00 C ATOM 664 C ASP A 45 47.164 7.192 0.939 1.00 0.00 C ATOM 665 O ASP A 45 48.063 7.944 0.578 1.00 0.00 O ATOM 666 CB ASP A 45 47.501 6.475 3.314 1.00 0.00 C ATOM 667 CG ASP A 45 48.525 7.335 4.029 1.00 0.00 C ATOM 668 OD1 ASP A 45 48.167 7.951 5.055 1.00 0.00 O ATOM 669 OD2 ASP A 45 49.681 7.392 3.563 1.00 0.00 O ATOM 0 H ASP A 45 45.028 6.337 3.340 1.00 0.00 H new ATOM 0 HA ASP A 45 46.618 8.335 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 45 46.875 5.973 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.016 5.697 2.750 1.00 0.00 H new ATOM 674 N THR A 46 46.652 6.261 0.139 1.00 0.00 N ATOM 675 CA THR A 46 47.150 6.091 -1.226 1.00 0.00 C ATOM 676 C THR A 46 46.305 6.819 -2.279 1.00 0.00 C ATOM 677 O THR A 46 46.775 7.053 -3.393 1.00 0.00 O ATOM 678 CB THR A 46 47.233 4.607 -1.574 1.00 0.00 C ATOM 679 OG1 THR A 46 45.946 4.021 -1.559 1.00 0.00 O ATOM 680 CG2 THR A 46 48.113 3.818 -0.629 1.00 0.00 C ATOM 0 H THR A 46 45.904 5.621 0.405 1.00 0.00 H new ATOM 0 HA THR A 46 48.142 6.543 -1.248 1.00 0.00 H new ATOM 0 HB THR A 46 47.675 4.565 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.599 3.969 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.128 2.772 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.127 4.218 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.720 3.895 0.385 1.00 0.00 H new ATOM 688 N ILE A 47 45.061 7.161 -1.950 1.00 0.00 N ATOM 689 CA ILE A 47 44.192 7.841 -2.916 1.00 0.00 C ATOM 690 C ILE A 47 44.316 9.358 -2.836 1.00 0.00 C ATOM 691 O ILE A 47 44.279 10.037 -3.860 1.00 0.00 O ATOM 692 CB ILE A 47 42.708 7.465 -2.735 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.416 7.145 -1.274 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.329 6.295 -3.633 1.00 0.00 C ATOM 695 CD1 ILE A 47 40.948 6.932 -0.979 1.00 0.00 C ATOM 0 H ILE A 47 44.635 6.984 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 47 44.533 7.501 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 47 42.100 8.321 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.968 6.249 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 47 42.788 7.959 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.277 6.049 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.496 6.567 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.942 5.430 -3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 40.818 6.709 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.392 7.835 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.575 6.099 -1.574 1.00 0.00 H new ATOM 707 N GLN A 48 44.468 9.889 -1.623 1.00 0.00 N ATOM 708 CA GLN A 48 44.593 11.335 -1.440 1.00 0.00 C ATOM 709 C GLN A 48 45.198 11.690 -0.086 1.00 0.00 C ATOM 710 O GLN A 48 44.829 12.708 0.500 1.00 0.00 O ATOM 711 CB GLN A 48 43.222 12.018 -1.542 1.00 0.00 C ATOM 712 CG GLN A 48 42.523 11.847 -2.879 1.00 0.00 C ATOM 713 CD GLN A 48 41.669 10.596 -2.924 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.460 9.939 -1.905 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.166 10.260 -4.106 1.00 0.00 N ATOM 0 H GLN A 48 44.507 9.346 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 48 45.254 11.688 -2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 48 42.576 11.624 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 48 43.347 13.083 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 48 41.898 12.718 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 48 43.268 11.805 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.364 10.833 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.581 9.429 -4.194 1.00 0.00 H new ATOM 724 N TYR A 49 46.117 10.877 0.427 1.00 0.00 N ATOM 725 CA TYR A 49 46.720 11.174 1.724 1.00 0.00 C ATOM 726 C TYR A 49 47.992 10.360 1.961 1.00 0.00 C ATOM 727 O TYR A 49 48.216 9.871 3.068 1.00 0.00 O ATOM 728 CB TYR A 49 45.721 10.890 2.850 1.00 0.00 C ATOM 729 CG TYR A 49 44.785 12.041 3.155 1.00 0.00 C ATOM 730 CD1 TYR A 49 45.174 13.078 3.996 1.00 0.00 C ATOM 731 CD2 TYR A 49 43.508 12.086 2.608 1.00 0.00 C ATOM 732 CE1 TYR A 49 44.318 14.126 4.281 1.00 0.00 C ATOM 733 CE2 TYR A 49 42.647 13.132 2.886 1.00 0.00 C ATOM 734 CZ TYR A 49 43.056 14.148 3.723 1.00 0.00 C ATOM 735 OH TYR A 49 42.202 15.189 4.005 1.00 0.00 O ATOM 0 H TYR A 49 46.455 10.026 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 49 46.987 12.231 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.128 10.015 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.273 10.636 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 49 46.161 13.065 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 49 43.182 11.290 1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 49 44.635 14.923 4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 49 41.659 13.153 2.450 1.00 0.00 H new ATOM 0 HH TYR A 49 41.354 15.054 3.532 1.00 0.00 H new ATOM 745 N SER A 50 48.830 10.213 0.935 1.00 0.00 N ATOM 746 CA SER A 50 50.073 9.456 1.075 1.00 0.00 C ATOM 747 C SER A 50 51.193 10.336 1.623 1.00 0.00 C ATOM 748 O SER A 50 52.349 10.203 1.222 1.00 0.00 O ATOM 749 CB SER A 50 50.493 8.861 -0.274 1.00 0.00 C ATOM 750 OG SER A 50 51.786 8.285 -0.198 1.00 0.00 O ATOM 0 H SER A 50 48.673 10.604 0.006 1.00 0.00 H new ATOM 0 HA SER A 50 49.892 8.646 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 49.772 8.104 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.483 9.639 -1.037 1.00 0.00 H new ATOM 0 HG SER A 50 52.417 8.943 0.162 1.00 0.00 H new ATOM 756 N LYS A 51 50.843 11.233 2.539 1.00 0.00 N ATOM 757 CA LYS A 51 51.817 12.135 3.138 1.00 0.00 C ATOM 758 C LYS A 51 51.138 13.085 4.120 1.00 0.00 C ATOM 759 O LYS A 51 51.266 14.304 4.009 1.00 0.00 O ATOM 760 CB LYS A 51 52.538 12.931 2.050 1.00 0.00 C ATOM 761 CG LYS A 51 53.704 13.754 2.571 1.00 0.00 C ATOM 762 CD LYS A 51 54.930 12.890 2.815 1.00 0.00 C ATOM 763 CE LYS A 51 56.071 13.697 3.411 1.00 0.00 C ATOM 764 NZ LYS A 51 56.406 13.250 4.791 1.00 0.00 N ATOM 0 H LYS A 51 49.890 11.354 2.882 1.00 0.00 H new ATOM 0 HA LYS A 51 52.548 11.538 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 51 52.902 12.242 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.824 13.595 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 51 53.947 14.538 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.416 14.249 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.672 12.072 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 51 55.253 12.441 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.952 13.604 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 55.799 14.752 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 57.189 13.825 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 55.573 13.362 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 56.690 12.250 4.773 1.00 0.00 H new ATOM 778 N HIS A 52 50.413 12.516 5.076 1.00 0.00 N ATOM 779 CA HIS A 52 49.708 13.307 6.078 1.00 0.00 C ATOM 780 C HIS A 52 50.645 14.316 6.736 1.00 0.00 C ATOM 781 O HIS A 52 51.801 13.946 7.029 1.00 0.00 O ATOM 782 CB HIS A 52 49.099 12.391 7.141 1.00 0.00 C ATOM 783 CG HIS A 52 48.151 13.093 8.063 1.00 0.00 C ATOM 784 ND1 HIS A 52 48.419 13.353 9.389 1.00 0.00 N ATOM 785 CD2 HIS A 52 46.914 13.598 7.826 1.00 0.00 C ATOM 786 CE1 HIS A 52 47.361 13.994 9.904 1.00 0.00 C ATOM 787 NE2 HIS A 52 46.420 14.167 8.995 1.00 0.00 N ATOM 788 OXT HIS A 52 50.213 15.467 6.956 1.00 0.00 O ATOM 0 H HIS A 52 50.298 11.508 5.179 1.00 0.00 H new ATOM 0 HA HIS A 52 48.910 13.855 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 52 48.574 11.573 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.902 11.946 7.729 1.00 0.00 H new ATOM 0 HD2 HIS A 52 46.395 13.564 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 52 47.288 14.326 10.929 1.00 0.00 H new ATOM 0 HE2 HIS A 52 45.517 14.624 9.123 1.00 0.00 H new TER 796 HIS A 52