USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 386 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 36 THR OG1 : rot 94:sc= -0.164 USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0.3 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.34! C(o=-10!,f=-16!) USER MOD Set 2.2: A 35 ASN :FLIP amide:sc= -9.1! C(o=-14!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -110:sc= 0.0461 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=0.000589 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.0483 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00973 K(o=-0.0097,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.65) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -58:sc= 0.00798 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.388 1.569 -9.680 1.00 0.00 N ATOM 2 CA GLY A 1 -14.364 1.127 -10.609 1.00 0.00 C ATOM 3 C GLY A 1 -13.483 2.265 -11.085 1.00 0.00 C ATOM 4 O GLY A 1 -12.882 2.973 -10.277 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.963 0.755 -9.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.938 1.997 -8.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.997 2.273 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.745 0.369 -10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.838 0.654 -11.469 1.00 0.00 H new ATOM 8 N SER A 2 -13.406 2.441 -12.400 1.00 0.00 N ATOM 9 CA SER A 2 -12.587 3.498 -12.983 1.00 0.00 C ATOM 10 C SER A 2 -13.119 4.874 -12.594 1.00 0.00 C ATOM 11 O SER A 2 -14.319 5.053 -12.391 1.00 0.00 O ATOM 12 CB SER A 2 -12.553 3.364 -14.507 1.00 0.00 C ATOM 13 OG SER A 2 -11.505 2.505 -14.920 1.00 0.00 O ATOM 0 H SER A 2 -13.900 1.866 -13.082 1.00 0.00 H new ATOM 0 HA SER A 2 -11.574 3.396 -12.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.507 2.975 -14.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.421 4.347 -14.959 1.00 0.00 H new ATOM 0 HG SER A 2 -10.808 3.030 -15.366 1.00 0.00 H new ATOM 19 N SER A 3 -12.215 5.843 -12.492 1.00 0.00 N ATOM 20 CA SER A 3 -12.590 7.203 -12.123 1.00 0.00 C ATOM 21 C SER A 3 -12.288 8.177 -13.258 1.00 0.00 C ATOM 22 O SER A 3 -13.184 8.843 -13.774 1.00 0.00 O ATOM 23 CB SER A 3 -11.850 7.634 -10.855 1.00 0.00 C ATOM 24 OG SER A 3 -12.599 8.592 -10.127 1.00 0.00 O ATOM 0 H SER A 3 -11.218 5.711 -12.660 1.00 0.00 H new ATOM 0 HA SER A 3 -13.663 7.217 -11.931 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.660 6.763 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.880 8.053 -11.121 1.00 0.00 H new ATOM 0 HG SER A 3 -12.105 8.849 -9.321 1.00 0.00 H new ATOM 30 N GLY A 4 -11.017 8.254 -13.640 1.00 0.00 N ATOM 31 CA GLY A 4 -10.617 9.148 -14.711 1.00 0.00 C ATOM 32 C GLY A 4 -10.417 8.424 -16.027 1.00 0.00 C ATOM 33 O GLY A 4 -11.210 8.579 -16.956 1.00 0.00 O ATOM 0 H GLY A 4 -10.257 7.713 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.375 9.921 -14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.691 9.652 -14.433 1.00 0.00 H new ATOM 37 N SER A 5 -9.353 7.631 -16.109 1.00 0.00 N ATOM 38 CA SER A 5 -9.048 6.884 -17.324 1.00 0.00 C ATOM 39 C SER A 5 -9.557 5.450 -17.222 1.00 0.00 C ATOM 40 O SER A 5 -9.991 5.007 -16.158 1.00 0.00 O ATOM 41 CB SER A 5 -7.541 6.885 -17.583 1.00 0.00 C ATOM 42 OG SER A 5 -6.826 6.452 -16.439 1.00 0.00 O ATOM 0 H SER A 5 -8.688 7.489 -15.349 1.00 0.00 H new ATOM 0 HA SER A 5 -9.553 7.372 -18.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.313 6.233 -18.426 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.217 7.888 -17.860 1.00 0.00 H new ATOM 0 HG SER A 5 -5.865 6.460 -16.631 1.00 0.00 H new ATOM 48 N SER A 6 -9.501 4.728 -18.336 1.00 0.00 N ATOM 49 CA SER A 6 -9.959 3.344 -18.375 1.00 0.00 C ATOM 50 C SER A 6 -9.229 2.560 -19.462 1.00 0.00 C ATOM 51 O SER A 6 -9.027 3.054 -20.570 1.00 0.00 O ATOM 52 CB SER A 6 -11.468 3.291 -18.618 1.00 0.00 C ATOM 53 OG SER A 6 -11.779 3.606 -19.965 1.00 0.00 O ATOM 0 H SER A 6 -9.143 5.079 -19.224 1.00 0.00 H new ATOM 0 HA SER A 6 -9.737 2.887 -17.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.844 2.296 -18.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.972 3.991 -17.952 1.00 0.00 H new ATOM 0 HG SER A 6 -12.749 3.564 -20.095 1.00 0.00 H new ATOM 59 N GLY A 7 -8.836 1.332 -19.135 1.00 0.00 N ATOM 60 CA GLY A 7 -8.133 0.499 -20.092 1.00 0.00 C ATOM 61 C GLY A 7 -7.633 -0.794 -19.478 1.00 0.00 C ATOM 62 O GLY A 7 -8.413 -1.567 -18.922 1.00 0.00 O ATOM 0 H GLY A 7 -8.992 0.900 -18.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.797 0.269 -20.925 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.289 1.054 -20.501 1.00 0.00 H new ATOM 66 N ALA A 8 -6.330 -1.030 -19.581 1.00 0.00 N ATOM 67 CA ALA A 8 -5.727 -2.238 -19.031 1.00 0.00 C ATOM 68 C ALA A 8 -6.281 -2.545 -17.644 1.00 0.00 C ATOM 69 O ALA A 8 -6.212 -1.713 -16.740 1.00 0.00 O ATOM 70 CB ALA A 8 -4.213 -2.095 -18.977 1.00 0.00 C ATOM 0 H ALA A 8 -5.671 -0.401 -20.040 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.979 -3.071 -19.687 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.776 -3.004 -18.564 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.827 -1.931 -19.983 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.950 -1.247 -18.345 1.00 0.00 H new ATOM 76 N GLU A 9 -6.830 -3.745 -17.484 1.00 0.00 N ATOM 77 CA GLU A 9 -7.397 -4.161 -16.206 1.00 0.00 C ATOM 78 C GLU A 9 -6.670 -5.386 -15.660 1.00 0.00 C ATOM 79 O GLU A 9 -6.661 -6.446 -16.286 1.00 0.00 O ATOM 80 CB GLU A 9 -8.889 -4.466 -16.360 1.00 0.00 C ATOM 81 CG GLU A 9 -9.200 -5.423 -17.499 1.00 0.00 C ATOM 82 CD GLU A 9 -9.041 -4.778 -18.862 1.00 0.00 C ATOM 83 OE1 GLU A 9 -9.941 -4.011 -19.264 1.00 0.00 O ATOM 84 OE2 GLU A 9 -8.017 -5.040 -19.528 1.00 0.00 O ATOM 0 H GLU A 9 -6.894 -4.446 -18.222 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.272 -3.341 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.263 -4.890 -15.428 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.427 -3.532 -16.524 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.541 -6.289 -17.432 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.221 -5.790 -17.392 1.00 0.00 H new ATOM 91 N ASP A 10 -6.060 -5.232 -14.490 1.00 0.00 N ATOM 92 CA ASP A 10 -5.329 -6.325 -13.859 1.00 0.00 C ATOM 93 C ASP A 10 -4.850 -5.926 -12.467 1.00 0.00 C ATOM 94 O ASP A 10 -4.365 -4.814 -12.262 1.00 0.00 O ATOM 95 CB ASP A 10 -4.137 -6.736 -14.724 1.00 0.00 C ATOM 96 CG ASP A 10 -3.641 -8.132 -14.400 1.00 0.00 C ATOM 97 OD1 ASP A 10 -3.072 -8.320 -13.304 1.00 0.00 O ATOM 98 OD2 ASP A 10 -3.820 -9.036 -15.243 1.00 0.00 O ATOM 0 H ASP A 10 -6.057 -4.361 -13.959 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.006 -7.173 -13.761 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.421 -6.689 -15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.325 -6.023 -14.581 1.00 0.00 H new ATOM 103 N ASN A 11 -4.991 -6.841 -11.513 1.00 0.00 N ATOM 104 CA ASN A 11 -4.574 -6.583 -10.140 1.00 0.00 C ATOM 105 C ASN A 11 -3.104 -6.179 -10.084 1.00 0.00 C ATOM 106 O ASN A 11 -2.252 -6.805 -10.717 1.00 0.00 O ATOM 107 CB ASN A 11 -4.806 -7.823 -9.273 1.00 0.00 C ATOM 108 CG ASN A 11 -4.551 -7.557 -7.803 1.00 0.00 C ATOM 109 OD1 ASN A 11 -5.027 -6.566 -7.248 1.00 0.00 O ATOM 110 ND2 ASN A 11 -3.795 -8.442 -7.164 1.00 0.00 N ATOM 0 H ASN A 11 -5.391 -7.767 -11.666 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.174 -5.759 -9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.832 -8.168 -9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.153 -8.627 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.588 -8.315 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.421 -9.249 -7.664 1.00 0.00 H new ATOM 117 N LEU A 12 -2.813 -5.130 -9.323 1.00 0.00 N ATOM 118 CA LEU A 12 -1.446 -4.641 -9.184 1.00 0.00 C ATOM 119 C LEU A 12 -0.716 -5.377 -8.065 1.00 0.00 C ATOM 120 O LEU A 12 0.339 -5.970 -8.283 1.00 0.00 O ATOM 121 CB LEU A 12 -1.446 -3.137 -8.905 1.00 0.00 C ATOM 122 CG LEU A 12 -1.764 -2.234 -10.097 1.00 0.00 C ATOM 123 CD1 LEU A 12 -1.905 -0.787 -9.648 1.00 0.00 C ATOM 124 CD2 LEU A 12 -0.688 -2.360 -11.165 1.00 0.00 C ATOM 0 H LEU A 12 -3.506 -4.602 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.922 -4.830 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.171 -2.934 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.466 -2.860 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.713 -2.554 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.131 -0.159 -10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.713 -0.709 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.972 -0.455 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.932 -1.710 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.275 -2.067 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.636 -3.393 -11.509 1.00 0.00 H new ATOM 136 N GLY A 13 -1.288 -5.335 -6.865 1.00 0.00 N ATOM 137 CA GLY A 13 -0.679 -6.003 -5.729 1.00 0.00 C ATOM 138 C GLY A 13 -0.668 -5.138 -4.485 1.00 0.00 C ATOM 139 O GLY A 13 -0.921 -3.934 -4.537 1.00 0.00 O ATOM 0 H GLY A 13 -2.162 -4.851 -6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.220 -6.926 -5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.344 -6.283 -5.982 1.00 0.00 H new ATOM 143 N PRO A 14 -0.371 -5.756 -3.332 1.00 0.00 N ATOM 144 CA PRO A 14 -0.323 -5.054 -2.047 1.00 0.00 C ATOM 145 C PRO A 14 0.862 -4.098 -1.953 1.00 0.00 C ATOM 146 O PRO A 14 1.975 -4.431 -2.360 1.00 0.00 O ATOM 147 CB PRO A 14 -0.177 -6.187 -1.028 1.00 0.00 C ATOM 148 CG PRO A 14 0.459 -7.300 -1.788 1.00 0.00 C ATOM 149 CD PRO A 14 -0.059 -7.189 -3.195 1.00 0.00 C ATOM 0 HA PRO A 14 -1.204 -4.432 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.439 -5.882 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.145 -6.485 -0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.546 -7.218 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.203 -8.266 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.686 -7.510 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.942 -7.809 -3.348 1.00 0.00 H new ATOM 157 N LEU A 15 0.615 -2.909 -1.414 1.00 0.00 N ATOM 158 CA LEU A 15 1.662 -1.904 -1.265 1.00 0.00 C ATOM 159 C LEU A 15 2.929 -2.520 -0.682 1.00 0.00 C ATOM 160 O LEU A 15 2.894 -3.544 0.000 1.00 0.00 O ATOM 161 CB LEU A 15 1.177 -0.762 -0.370 1.00 0.00 C ATOM 162 CG LEU A 15 0.148 0.185 -0.988 1.00 0.00 C ATOM 163 CD1 LEU A 15 -0.765 0.755 0.086 1.00 0.00 C ATOM 164 CD2 LEU A 15 0.843 1.304 -1.750 1.00 0.00 C ATOM 0 H LEU A 15 -0.301 -2.617 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 15 1.895 -1.508 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.747 -1.193 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.043 -0.175 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.463 -0.381 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.491 1.427 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.289 -0.059 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.170 1.306 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.095 1.968 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.478 1.869 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.454 0.878 -2.546 1.00 0.00 H new ATOM 176 N PRO A 16 4.077 -1.881 -0.953 1.00 0.00 N ATOM 177 CA PRO A 16 5.378 -2.347 -0.462 1.00 0.00 C ATOM 178 C PRO A 16 5.524 -2.174 1.045 1.00 0.00 C ATOM 179 O PRO A 16 4.545 -1.924 1.748 1.00 0.00 O ATOM 180 CB PRO A 16 6.377 -1.454 -1.203 1.00 0.00 C ATOM 181 CG PRO A 16 5.613 -0.216 -1.524 1.00 0.00 C ATOM 182 CD PRO A 16 4.194 -0.655 -1.760 1.00 0.00 C ATOM 0 HA PRO A 16 5.524 -3.412 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.246 -1.233 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.745 -1.938 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.669 0.501 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.021 0.277 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.480 0.105 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.004 -0.849 -2.816 1.00 0.00 H new ATOM 190 N GLU A 17 6.752 -2.308 1.536 1.00 0.00 N ATOM 191 CA GLU A 17 7.025 -2.166 2.961 1.00 0.00 C ATOM 192 C GLU A 17 7.528 -0.761 3.282 1.00 0.00 C ATOM 193 O GLU A 17 7.559 -0.352 4.441 1.00 0.00 O ATOM 194 CB GLU A 17 8.055 -3.203 3.412 1.00 0.00 C ATOM 195 CG GLU A 17 9.387 -3.092 2.689 1.00 0.00 C ATOM 196 CD GLU A 17 10.393 -4.126 3.156 1.00 0.00 C ATOM 197 OE1 GLU A 17 10.127 -5.334 2.978 1.00 0.00 O ATOM 198 OE2 GLU A 17 11.445 -3.729 3.699 1.00 0.00 O ATOM 0 H GLU A 17 7.573 -2.515 0.968 1.00 0.00 H new ATOM 0 HA GLU A 17 6.093 -2.332 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.223 -3.094 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.647 -4.201 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.225 -3.207 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.798 -2.095 2.844 1.00 0.00 H new ATOM 205 N ASN A 18 7.920 -0.028 2.245 1.00 0.00 N ATOM 206 CA ASN A 18 8.423 1.330 2.415 1.00 0.00 C ATOM 207 C ASN A 18 7.337 2.355 2.101 1.00 0.00 C ATOM 208 O ASN A 18 7.631 3.508 1.785 1.00 0.00 O ATOM 209 CB ASN A 18 9.637 1.564 1.515 1.00 0.00 C ATOM 210 CG ASN A 18 9.519 0.842 0.186 1.00 0.00 C ATOM 211 OD1 ASN A 18 9.249 -0.359 0.141 1.00 0.00 O ATOM 212 ND2 ASN A 18 9.722 1.572 -0.904 1.00 0.00 N ATOM 0 H ASN A 18 7.899 -0.352 1.278 1.00 0.00 H new ATOM 0 HA ASN A 18 8.723 1.452 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.752 2.633 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.537 1.228 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.657 1.141 -1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.943 2.564 -0.819 1.00 0.00 H new ATOM 219 N TRP A 19 6.084 1.927 2.189 1.00 0.00 N ATOM 220 CA TRP A 19 4.954 2.807 1.915 1.00 0.00 C ATOM 221 C TRP A 19 3.853 2.621 2.953 1.00 0.00 C ATOM 222 O TRP A 19 3.758 1.571 3.587 1.00 0.00 O ATOM 223 CB TRP A 19 4.401 2.540 0.514 1.00 0.00 C ATOM 224 CG TRP A 19 5.279 3.064 -0.581 1.00 0.00 C ATOM 225 CD1 TRP A 19 6.540 2.642 -0.894 1.00 0.00 C ATOM 226 CD2 TRP A 19 4.963 4.110 -1.507 1.00 0.00 C ATOM 227 NE1 TRP A 19 7.026 3.362 -1.959 1.00 0.00 N ATOM 228 CE2 TRP A 19 6.078 4.268 -2.353 1.00 0.00 C ATOM 229 CE3 TRP A 19 3.846 4.926 -1.704 1.00 0.00 C ATOM 230 CZ2 TRP A 19 6.106 5.210 -3.378 1.00 0.00 C ATOM 231 CZ3 TRP A 19 3.876 5.861 -2.722 1.00 0.00 C ATOM 232 CH2 TRP A 19 4.999 5.996 -3.549 1.00 0.00 C ATOM 0 H TRP A 19 5.824 0.975 2.448 1.00 0.00 H new ATOM 0 HA TRP A 19 5.307 3.837 1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.269 1.466 0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.414 2.995 0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.076 1.858 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.944 3.241 -2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.975 4.828 -1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.971 5.317 -4.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.019 6.498 -2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.991 6.735 -4.337 1.00 0.00 H new ATOM 243 N GLU A 20 3.025 3.647 3.122 1.00 0.00 N ATOM 244 CA GLU A 20 1.931 3.594 4.085 1.00 0.00 C ATOM 245 C GLU A 20 0.750 4.438 3.614 1.00 0.00 C ATOM 246 O GLU A 20 0.841 5.663 3.535 1.00 0.00 O ATOM 247 CB GLU A 20 2.405 4.082 5.456 1.00 0.00 C ATOM 248 CG GLU A 20 1.611 3.505 6.615 1.00 0.00 C ATOM 249 CD GLU A 20 2.336 3.633 7.941 1.00 0.00 C ATOM 250 OE1 GLU A 20 2.161 4.671 8.614 1.00 0.00 O ATOM 251 OE2 GLU A 20 3.078 2.698 8.305 1.00 0.00 O ATOM 0 H GLU A 20 3.091 4.524 2.605 1.00 0.00 H new ATOM 0 HA GLU A 20 1.605 2.557 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.456 3.822 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.340 5.170 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.649 4.014 6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.402 2.453 6.419 1.00 0.00 H new ATOM 258 N MET A 21 -0.357 3.773 3.302 1.00 0.00 N ATOM 259 CA MET A 21 -1.557 4.461 2.839 1.00 0.00 C ATOM 260 C MET A 21 -2.437 4.870 4.016 1.00 0.00 C ATOM 261 O MET A 21 -2.940 4.021 4.751 1.00 0.00 O ATOM 262 CB MET A 21 -2.347 3.566 1.882 1.00 0.00 C ATOM 263 CG MET A 21 -3.552 4.254 1.262 1.00 0.00 C ATOM 264 SD MET A 21 -4.291 3.292 -0.072 1.00 0.00 S ATOM 265 CE MET A 21 -5.149 2.026 0.859 1.00 0.00 C ATOM 0 H MET A 21 -0.448 2.759 3.361 1.00 0.00 H new ATOM 0 HA MET A 21 -1.248 5.362 2.309 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.685 3.225 1.086 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.682 2.679 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.301 4.432 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.251 5.229 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.657 1.350 0.171 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.431 1.464 1.456 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.882 2.492 1.518 1.00 0.00 H new ATOM 275 N ALA A 22 -2.619 6.175 4.188 1.00 0.00 N ATOM 276 CA ALA A 22 -3.440 6.696 5.274 1.00 0.00 C ATOM 277 C ALA A 22 -4.289 7.872 4.805 1.00 0.00 C ATOM 278 O ALA A 22 -3.971 8.522 3.808 1.00 0.00 O ATOM 279 CB ALA A 22 -2.563 7.110 6.446 1.00 0.00 C ATOM 0 H ALA A 22 -2.209 6.891 3.589 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.113 5.903 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.189 7.497 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.004 6.246 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.866 7.884 6.124 1.00 0.00 H new ATOM 285 N TYR A 23 -5.370 8.141 5.528 1.00 0.00 N ATOM 286 CA TYR A 23 -6.267 9.238 5.184 1.00 0.00 C ATOM 287 C TYR A 23 -6.058 10.426 6.117 1.00 0.00 C ATOM 288 O TYR A 23 -5.746 10.258 7.297 1.00 0.00 O ATOM 289 CB TYR A 23 -7.723 8.773 5.250 1.00 0.00 C ATOM 290 CG TYR A 23 -7.998 7.526 4.440 1.00 0.00 C ATOM 291 CD1 TYR A 23 -7.413 6.312 4.777 1.00 0.00 C ATOM 292 CD2 TYR A 23 -8.843 7.563 3.337 1.00 0.00 C ATOM 293 CE1 TYR A 23 -7.661 5.171 4.039 1.00 0.00 C ATOM 294 CE2 TYR A 23 -9.098 6.426 2.595 1.00 0.00 C ATOM 295 CZ TYR A 23 -8.504 5.232 2.950 1.00 0.00 C ATOM 296 OH TYR A 23 -8.754 4.098 2.212 1.00 0.00 O ATOM 0 H TYR A 23 -5.647 7.614 6.356 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.039 9.555 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.989 8.586 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.369 9.576 4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.753 6.259 5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.308 8.496 3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.197 4.235 4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.759 6.471 1.742 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.369 4.313 1.480 1.00 0.00 H new ATOM 306 N THR A 24 -6.233 11.630 5.580 1.00 0.00 N ATOM 307 CA THR A 24 -6.064 12.847 6.363 1.00 0.00 C ATOM 308 C THR A 24 -7.269 13.095 7.262 1.00 0.00 C ATOM 309 O THR A 24 -8.369 12.618 6.986 1.00 0.00 O ATOM 310 CB THR A 24 -5.854 14.074 5.455 1.00 0.00 C ATOM 311 OG1 THR A 24 -7.006 14.274 4.629 1.00 0.00 O ATOM 312 CG2 THR A 24 -4.622 13.896 4.581 1.00 0.00 C ATOM 0 H THR A 24 -6.492 11.788 4.606 1.00 0.00 H new ATOM 0 HA THR A 24 -5.177 12.705 6.981 1.00 0.00 H new ATOM 0 HB THR A 24 -5.706 14.948 6.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.936 15.139 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.494 14.775 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.742 13.773 5.213 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.745 13.013 3.954 1.00 0.00 H new ATOM 320 N GLU A 25 -7.054 13.845 8.339 1.00 0.00 N ATOM 321 CA GLU A 25 -8.125 14.156 9.279 1.00 0.00 C ATOM 322 C GLU A 25 -9.421 14.478 8.540 1.00 0.00 C ATOM 323 O GLU A 25 -10.508 14.108 8.981 1.00 0.00 O ATOM 324 CB GLU A 25 -7.726 15.334 10.169 1.00 0.00 C ATOM 325 CG GLU A 25 -7.320 16.575 9.392 1.00 0.00 C ATOM 326 CD GLU A 25 -7.117 17.783 10.285 1.00 0.00 C ATOM 327 OE1 GLU A 25 -8.126 18.351 10.753 1.00 0.00 O ATOM 328 OE2 GLU A 25 -5.949 18.160 10.516 1.00 0.00 O ATOM 0 H GLU A 25 -6.149 14.248 8.582 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.292 13.278 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.561 15.583 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.898 15.030 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.398 16.372 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.086 16.801 8.650 1.00 0.00 H new ATOM 335 N ASN A 26 -9.296 15.171 7.413 1.00 0.00 N ATOM 336 CA ASN A 26 -10.456 15.545 6.613 1.00 0.00 C ATOM 337 C ASN A 26 -11.104 14.315 5.985 1.00 0.00 C ATOM 338 O ASN A 26 -12.326 14.233 5.870 1.00 0.00 O ATOM 339 CB ASN A 26 -10.051 16.536 5.520 1.00 0.00 C ATOM 340 CG ASN A 26 -11.183 17.469 5.136 1.00 0.00 C ATOM 341 OD1 ASN A 26 -12.339 17.057 5.047 1.00 0.00 O ATOM 342 ND2 ASN A 26 -10.853 18.735 4.906 1.00 0.00 N ATOM 0 H ASN A 26 -8.403 15.485 7.033 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.182 16.019 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.200 17.124 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.723 15.986 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.572 19.410 4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.881 19.032 4.992 1.00 0.00 H new ATOM 349 N GLY A 27 -10.274 13.358 5.580 1.00 0.00 N ATOM 350 CA GLY A 27 -10.783 12.144 4.970 1.00 0.00 C ATOM 351 C GLY A 27 -10.216 11.910 3.583 1.00 0.00 C ATOM 352 O GLY A 27 -10.817 11.209 2.770 1.00 0.00 O ATOM 0 H GLY A 27 -9.258 13.402 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.542 11.293 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.870 12.199 4.910 1.00 0.00 H new ATOM 356 N GLU A 28 -9.055 12.500 3.313 1.00 0.00 N ATOM 357 CA GLU A 28 -8.409 12.354 2.014 1.00 0.00 C ATOM 358 C GLU A 28 -7.384 11.224 2.041 1.00 0.00 C ATOM 359 O GLU A 28 -6.419 11.264 2.804 1.00 0.00 O ATOM 360 CB GLU A 28 -7.730 13.663 1.607 1.00 0.00 C ATOM 361 CG GLU A 28 -8.679 14.850 1.554 1.00 0.00 C ATOM 362 CD GLU A 28 -9.327 15.018 0.194 1.00 0.00 C ATOM 363 OE1 GLU A 28 -8.620 15.418 -0.755 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.541 14.749 0.077 1.00 0.00 O ATOM 0 H GLU A 28 -8.544 13.083 3.976 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.177 12.108 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.928 13.881 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.268 13.534 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.455 14.724 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.133 15.759 1.807 1.00 0.00 H new ATOM 371 N VAL A 29 -7.601 10.216 1.202 1.00 0.00 N ATOM 372 CA VAL A 29 -6.697 9.074 1.127 1.00 0.00 C ATOM 373 C VAL A 29 -5.413 9.438 0.391 1.00 0.00 C ATOM 374 O VAL A 29 -5.445 9.847 -0.770 1.00 0.00 O ATOM 375 CB VAL A 29 -7.361 7.878 0.420 1.00 0.00 C ATOM 376 CG1 VAL A 29 -7.425 8.114 -1.081 1.00 0.00 C ATOM 377 CG2 VAL A 29 -6.612 6.592 0.734 1.00 0.00 C ATOM 0 H VAL A 29 -8.396 10.167 0.564 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.457 8.792 2.152 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.381 7.778 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.897 7.259 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.008 9.012 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.416 8.240 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.095 5.757 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.581 6.678 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.623 6.418 1.810 1.00 0.00 H new ATOM 387 N TYR A 30 -4.283 9.285 1.073 1.00 0.00 N ATOM 388 CA TYR A 30 -2.987 9.598 0.484 1.00 0.00 C ATOM 389 C TYR A 30 -2.008 8.443 0.675 1.00 0.00 C ATOM 390 O TYR A 30 -2.267 7.515 1.440 1.00 0.00 O ATOM 391 CB TYR A 30 -2.416 10.873 1.107 1.00 0.00 C ATOM 392 CG TYR A 30 -2.204 10.776 2.600 1.00 0.00 C ATOM 393 CD1 TYR A 30 -3.245 11.020 3.487 1.00 0.00 C ATOM 394 CD2 TYR A 30 -0.962 10.438 3.125 1.00 0.00 C ATOM 395 CE1 TYR A 30 -3.055 10.932 4.853 1.00 0.00 C ATOM 396 CE2 TYR A 30 -0.764 10.347 4.489 1.00 0.00 C ATOM 397 CZ TYR A 30 -1.813 10.595 5.349 1.00 0.00 C ATOM 398 OH TYR A 30 -1.621 10.506 6.708 1.00 0.00 O ATOM 0 H TYR A 30 -4.239 8.946 2.034 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.130 9.756 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.465 11.107 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.091 11.703 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.219 11.283 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.138 10.243 2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.875 11.126 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.208 10.083 4.880 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.691 10.258 6.891 1.00 0.00 H new ATOM 408 N PHE A 31 -0.882 8.509 -0.027 1.00 0.00 N ATOM 409 CA PHE A 31 0.137 7.470 0.063 1.00 0.00 C ATOM 410 C PHE A 31 1.448 8.038 0.599 1.00 0.00 C ATOM 411 O PHE A 31 1.990 8.999 0.052 1.00 0.00 O ATOM 412 CB PHE A 31 0.368 6.832 -1.308 1.00 0.00 C ATOM 413 CG PHE A 31 -0.800 6.024 -1.797 1.00 0.00 C ATOM 414 CD1 PHE A 31 -1.818 6.622 -2.521 1.00 0.00 C ATOM 415 CD2 PHE A 31 -0.879 4.666 -1.534 1.00 0.00 C ATOM 416 CE1 PHE A 31 -2.894 5.881 -2.972 1.00 0.00 C ATOM 417 CE2 PHE A 31 -1.952 3.919 -1.982 1.00 0.00 C ATOM 418 CZ PHE A 31 -2.961 4.528 -2.703 1.00 0.00 C ATOM 0 H PHE A 31 -0.652 9.271 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.218 6.707 0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.586 7.616 -2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.248 6.191 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.771 7.679 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.092 4.185 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.682 6.360 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.002 2.861 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.800 3.947 -3.056 1.00 0.00 H new ATOM 428 N ILE A 32 1.951 7.438 1.672 1.00 0.00 N ATOM 429 CA ILE A 32 3.198 7.883 2.282 1.00 0.00 C ATOM 430 C ILE A 32 4.386 7.093 1.744 1.00 0.00 C ATOM 431 O ILE A 32 4.443 5.871 1.878 1.00 0.00 O ATOM 432 CB ILE A 32 3.156 7.745 3.815 1.00 0.00 C ATOM 433 CG1 ILE A 32 2.417 8.933 4.436 1.00 0.00 C ATOM 434 CG2 ILE A 32 4.566 7.640 4.377 1.00 0.00 C ATOM 435 CD1 ILE A 32 3.315 10.111 4.741 1.00 0.00 C ATOM 0 H ILE A 32 1.514 6.642 2.137 1.00 0.00 H new ATOM 0 HA ILE A 32 3.317 8.935 2.023 1.00 0.00 H new ATOM 0 HB ILE A 32 2.616 6.832 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.628 9.255 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.932 8.608 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.519 7.543 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.061 6.765 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.129 8.536 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.724 10.915 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.089 9.806 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.780 10.462 3.820 1.00 0.00 H new ATOM 447 N ASP A 33 5.334 7.800 1.138 1.00 0.00 N ATOM 448 CA ASP A 33 6.523 7.165 0.582 1.00 0.00 C ATOM 449 C ASP A 33 7.742 7.431 1.460 1.00 0.00 C ATOM 450 O ASP A 33 8.337 8.508 1.404 1.00 0.00 O ATOM 451 CB ASP A 33 6.782 7.672 -0.838 1.00 0.00 C ATOM 452 CG ASP A 33 8.076 7.136 -1.417 1.00 0.00 C ATOM 453 OD1 ASP A 33 9.091 7.121 -0.689 1.00 0.00 O ATOM 454 OD2 ASP A 33 8.074 6.730 -2.598 1.00 0.00 O ATOM 0 H ASP A 33 5.302 8.813 1.019 1.00 0.00 H new ATOM 0 HA ASP A 33 6.348 6.090 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.952 7.381 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.814 8.762 -0.831 1.00 0.00 H new ATOM 459 N HIS A 34 8.107 6.444 2.272 1.00 0.00 N ATOM 460 CA HIS A 34 9.255 6.572 3.163 1.00 0.00 C ATOM 461 C HIS A 34 10.561 6.526 2.377 1.00 0.00 C ATOM 462 O HIS A 34 11.438 7.369 2.561 1.00 0.00 O ATOM 463 CB HIS A 34 9.238 5.461 4.214 1.00 0.00 C ATOM 464 CG HIS A 34 8.050 5.514 5.123 1.00 0.00 C ATOM 465 ND1 HIS A 34 8.130 5.899 6.445 1.00 0.00 N ATOM 466 CD2 HIS A 34 6.746 5.230 4.894 1.00 0.00 C ATOM 467 CE1 HIS A 34 6.928 5.847 6.990 1.00 0.00 C ATOM 468 NE2 HIS A 34 6.070 5.445 6.070 1.00 0.00 N ATOM 0 H HIS A 34 7.625 5.547 2.331 1.00 0.00 H new ATOM 0 HA HIS A 34 9.188 7.537 3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.256 4.495 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.146 5.525 4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.317 4.897 3.960 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.688 6.092 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.068 5.315 6.210 1.00 0.00 H new ATOM 476 N ASN A 35 10.683 5.534 1.500 1.00 0.00 N ATOM 477 CA ASN A 35 11.883 5.377 0.686 1.00 0.00 C ATOM 478 C ASN A 35 12.430 6.735 0.255 1.00 0.00 C ATOM 479 O ASN A 35 13.637 6.905 0.082 1.00 0.00 O ATOM 480 CB ASN A 35 11.581 4.522 -0.546 1.00 0.00 C ATOM 481 CG ASN A 35 10.310 4.955 -1.252 1.00 0.00 C ATOM 482 OD1 ASN A 35 9.169 4.510 -0.740 1.00 0.00 O flip ATOM 483 ND2 ASN A 35 10.356 5.680 -2.246 1.00 0.00 N flip ATOM 0 H ASN A 35 9.966 4.828 1.335 1.00 0.00 H new ATOM 0 HA ASN A 35 12.639 4.876 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.418 4.582 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.490 3.478 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.257 5.998 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.494 5.963 -2.711 1.00 0.00 H new ATOM 490 N THR A 36 11.532 7.701 0.084 1.00 0.00 N ATOM 491 CA THR A 36 11.923 9.043 -0.327 1.00 0.00 C ATOM 492 C THR A 36 11.322 10.098 0.595 1.00 0.00 C ATOM 493 O THR A 36 11.521 11.297 0.398 1.00 0.00 O ATOM 494 CB THR A 36 11.489 9.336 -1.776 1.00 0.00 C ATOM 495 OG1 THR A 36 10.064 9.259 -1.885 1.00 0.00 O ATOM 496 CG2 THR A 36 12.131 8.352 -2.742 1.00 0.00 C ATOM 0 H THR A 36 10.529 7.578 0.224 1.00 0.00 H new ATOM 0 HA THR A 36 13.010 9.088 -0.265 1.00 0.00 H new ATOM 0 HB THR A 36 11.819 10.342 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.678 10.152 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.810 8.578 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.216 8.434 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.828 7.338 -2.483 1.00 0.00 H new ATOM 504 N LYS A 37 10.584 9.644 1.603 1.00 0.00 N ATOM 505 CA LYS A 37 9.954 10.548 2.557 1.00 0.00 C ATOM 506 C LYS A 37 9.104 11.592 1.840 1.00 0.00 C ATOM 507 O LYS A 37 9.195 12.786 2.125 1.00 0.00 O ATOM 508 CB LYS A 37 11.017 11.242 3.413 1.00 0.00 C ATOM 509 CG LYS A 37 11.945 10.277 4.130 1.00 0.00 C ATOM 510 CD LYS A 37 13.147 9.918 3.273 1.00 0.00 C ATOM 511 CE LYS A 37 14.132 9.042 4.032 1.00 0.00 C ATOM 512 NZ LYS A 37 14.993 9.841 4.948 1.00 0.00 N ATOM 0 H LYS A 37 10.408 8.655 1.780 1.00 0.00 H new ATOM 0 HA LYS A 37 9.304 9.957 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.611 11.900 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.522 11.873 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.284 10.724 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.398 9.370 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.813 9.398 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.647 10.830 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.585 8.295 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.759 8.502 3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.650 9.208 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.534 10.537 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.397 10.336 5.641 1.00 0.00 H new ATOM 526 N THR A 38 8.275 11.133 0.906 1.00 0.00 N ATOM 527 CA THR A 38 7.409 12.027 0.148 1.00 0.00 C ATOM 528 C THR A 38 5.948 11.604 0.262 1.00 0.00 C ATOM 529 O THR A 38 5.644 10.495 0.703 1.00 0.00 O ATOM 530 CB THR A 38 7.805 12.065 -1.340 1.00 0.00 C ATOM 531 OG1 THR A 38 9.228 12.170 -1.465 1.00 0.00 O ATOM 532 CG2 THR A 38 7.140 13.236 -2.048 1.00 0.00 C ATOM 0 H THR A 38 8.186 10.148 0.657 1.00 0.00 H new ATOM 0 HA THR A 38 7.531 13.023 0.575 1.00 0.00 H new ATOM 0 HB THR A 38 7.467 11.140 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.472 12.192 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.435 13.242 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.057 13.137 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.451 14.169 -1.579 1.00 0.00 H new ATOM 540 N THR A 39 5.046 12.495 -0.139 1.00 0.00 N ATOM 541 CA THR A 39 3.617 12.214 -0.081 1.00 0.00 C ATOM 542 C THR A 39 2.948 12.491 -1.422 1.00 0.00 C ATOM 543 O THR A 39 3.191 13.523 -2.047 1.00 0.00 O ATOM 544 CB THR A 39 2.924 13.053 1.009 1.00 0.00 C ATOM 545 OG1 THR A 39 3.525 14.351 1.084 1.00 0.00 O ATOM 546 CG2 THR A 39 3.018 12.366 2.363 1.00 0.00 C ATOM 0 H THR A 39 5.280 13.417 -0.507 1.00 0.00 H new ATOM 0 HA THR A 39 3.512 11.157 0.163 1.00 0.00 H new ATOM 0 HB THR A 39 1.872 13.155 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.078 14.879 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.522 12.977 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.534 11.391 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.066 12.237 2.633 1.00 0.00 H new ATOM 554 N SER A 40 2.103 11.563 -1.859 1.00 0.00 N ATOM 555 CA SER A 40 1.400 11.706 -3.129 1.00 0.00 C ATOM 556 C SER A 40 -0.090 11.426 -2.960 1.00 0.00 C ATOM 557 O SER A 40 -0.511 10.823 -1.972 1.00 0.00 O ATOM 558 CB SER A 40 1.993 10.759 -4.174 1.00 0.00 C ATOM 559 OG SER A 40 1.862 11.293 -5.480 1.00 0.00 O ATOM 0 H SER A 40 1.888 10.704 -1.353 1.00 0.00 H new ATOM 0 HA SER A 40 1.522 12.734 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.046 10.583 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.490 9.793 -4.121 1.00 0.00 H new ATOM 0 HG SER A 40 2.250 10.670 -6.129 1.00 0.00 H new ATOM 565 N TRP A 41 -0.882 11.867 -3.930 1.00 0.00 N ATOM 566 CA TRP A 41 -2.326 11.664 -3.889 1.00 0.00 C ATOM 567 C TRP A 41 -2.715 10.377 -4.608 1.00 0.00 C ATOM 568 O TRP A 41 -3.700 9.729 -4.252 1.00 0.00 O ATOM 569 CB TRP A 41 -3.047 12.855 -4.523 1.00 0.00 C ATOM 570 CG TRP A 41 -3.089 14.064 -3.638 1.00 0.00 C ATOM 571 CD1 TRP A 41 -2.598 15.306 -3.922 1.00 0.00 C ATOM 572 CD2 TRP A 41 -3.651 14.144 -2.323 1.00 0.00 C ATOM 573 NE1 TRP A 41 -2.822 16.154 -2.864 1.00 0.00 N ATOM 574 CE2 TRP A 41 -3.467 15.465 -1.871 1.00 0.00 C ATOM 575 CE3 TRP A 41 -4.294 13.229 -1.485 1.00 0.00 C ATOM 576 CZ2 TRP A 41 -3.901 15.890 -0.618 1.00 0.00 C ATOM 577 CZ3 TRP A 41 -4.725 13.652 -0.242 1.00 0.00 C ATOM 578 CH2 TRP A 41 -4.528 14.973 0.181 1.00 0.00 C ATOM 0 H TRP A 41 -0.549 12.367 -4.754 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.627 11.580 -2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.551 13.115 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.066 12.562 -4.774 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.106 15.582 -4.843 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.552 17.137 -2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.451 12.209 -1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.748 16.907 -0.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.222 12.953 0.414 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.878 15.274 1.157 1.00 0.00 H new ATOM 589 N LEU A 42 -1.937 10.012 -5.621 1.00 0.00 N ATOM 590 CA LEU A 42 -2.201 8.800 -6.390 1.00 0.00 C ATOM 591 C LEU A 42 -1.426 7.616 -5.823 1.00 0.00 C ATOM 592 O LEU A 42 -0.630 7.768 -4.896 1.00 0.00 O ATOM 593 CB LEU A 42 -1.828 9.013 -7.858 1.00 0.00 C ATOM 594 CG LEU A 42 -2.705 9.993 -8.638 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.097 10.285 -10.001 1.00 0.00 C ATOM 596 CD2 LEU A 42 -4.116 9.443 -8.788 1.00 0.00 C ATOM 0 H LEU A 42 -1.119 10.537 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.266 8.580 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.797 9.364 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.858 8.048 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.758 10.927 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.735 10.984 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.107 10.722 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.013 9.358 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.726 10.154 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.082 8.495 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.552 9.286 -7.801 1.00 0.00 H new ATOM 608 N ASP A 43 -1.662 6.436 -6.387 1.00 0.00 N ATOM 609 CA ASP A 43 -0.984 5.225 -5.940 1.00 0.00 C ATOM 610 C ASP A 43 0.241 4.939 -6.803 1.00 0.00 C ATOM 611 O ASP A 43 0.230 5.123 -8.020 1.00 0.00 O ATOM 612 CB ASP A 43 -1.942 4.034 -5.980 1.00 0.00 C ATOM 613 CG ASP A 43 -1.227 2.725 -6.255 1.00 0.00 C ATOM 614 OD1 ASP A 43 -0.716 2.116 -5.293 1.00 0.00 O ATOM 615 OD2 ASP A 43 -1.178 2.312 -7.433 1.00 0.00 O ATOM 0 H ASP A 43 -2.318 6.293 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.654 5.380 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.470 3.964 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.695 4.202 -6.750 1.00 0.00 H new ATOM 620 N PRO A 44 1.324 4.478 -6.159 1.00 0.00 N ATOM 621 CA PRO A 44 2.577 4.157 -6.849 1.00 0.00 C ATOM 622 C PRO A 44 2.453 2.919 -7.730 1.00 0.00 C ATOM 623 O PRO A 44 2.909 2.911 -8.873 1.00 0.00 O ATOM 624 CB PRO A 44 3.558 3.901 -5.701 1.00 0.00 C ATOM 625 CG PRO A 44 2.701 3.481 -4.557 1.00 0.00 C ATOM 626 CD PRO A 44 1.408 4.235 -4.709 1.00 0.00 C ATOM 0 HA PRO A 44 2.887 4.955 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.279 3.126 -5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.128 4.798 -5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.529 2.405 -4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.179 3.714 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.559 3.654 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.418 5.168 -4.145 1.00 0.00 H new ATOM 634 N ARG A 45 1.834 1.874 -7.190 1.00 0.00 N ATOM 635 CA ARG A 45 1.651 0.629 -7.928 1.00 0.00 C ATOM 636 C ARG A 45 1.240 0.908 -9.371 1.00 0.00 C ATOM 637 O ARG A 45 1.653 0.202 -10.292 1.00 0.00 O ATOM 638 CB ARG A 45 0.596 -0.243 -7.245 1.00 0.00 C ATOM 639 CG ARG A 45 1.109 -0.966 -6.011 1.00 0.00 C ATOM 640 CD ARG A 45 -0.033 -1.533 -5.182 1.00 0.00 C ATOM 641 NE ARG A 45 -0.831 -0.481 -4.557 1.00 0.00 N ATOM 642 CZ ARG A 45 -2.066 -0.666 -4.104 1.00 0.00 C ATOM 643 NH1 ARG A 45 -2.641 -1.856 -4.205 1.00 0.00 N ATOM 644 NH2 ARG A 45 -2.728 0.341 -3.548 1.00 0.00 N ATOM 0 H ARG A 45 1.451 1.864 -6.245 1.00 0.00 H new ATOM 0 HA ARG A 45 2.602 0.097 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.252 0.381 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.227 -0.979 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.777 -1.773 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.695 -0.278 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.673 -2.144 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.370 -2.189 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.417 0.447 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.135 -2.632 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.589 -1.995 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.289 1.258 -3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.676 0.198 -3.201 1.00 0.00 H new ATOM 658 N CYS A 46 0.425 1.940 -9.559 1.00 0.00 N ATOM 659 CA CYS A 46 -0.043 2.311 -10.890 1.00 0.00 C ATOM 660 C CYS A 46 1.129 2.662 -11.800 1.00 0.00 C ATOM 661 O CYS A 46 1.153 2.287 -12.973 1.00 0.00 O ATOM 662 CB CYS A 46 -1.008 3.494 -10.802 1.00 0.00 C ATOM 663 SG CYS A 46 -2.742 3.020 -10.605 1.00 0.00 S ATOM 0 H CYS A 46 0.075 2.534 -8.808 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.566 1.455 -11.316 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.717 4.124 -9.962 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.908 4.098 -11.704 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.479 4.089 -10.538 1.00 0.00 H new ATOM 669 N LEU A 47 2.100 3.386 -11.254 1.00 0.00 N ATOM 670 CA LEU A 47 3.276 3.790 -12.017 1.00 0.00 C ATOM 671 C LEU A 47 3.790 2.639 -12.875 1.00 0.00 C ATOM 672 O LEU A 47 3.876 2.752 -14.096 1.00 0.00 O ATOM 673 CB LEU A 47 4.380 4.272 -11.074 1.00 0.00 C ATOM 674 CG LEU A 47 4.013 5.432 -10.148 1.00 0.00 C ATOM 675 CD1 LEU A 47 4.995 5.523 -8.990 1.00 0.00 C ATOM 676 CD2 LEU A 47 3.977 6.741 -10.923 1.00 0.00 C ATOM 0 H LEU A 47 2.096 3.705 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 47 2.987 4.609 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.699 3.430 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.239 4.571 -11.675 1.00 0.00 H new ATOM 0 HG LEU A 47 3.019 5.246 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.717 6.354 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.972 4.595 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.001 5.685 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.714 7.556 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.957 6.933 -11.359 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.234 6.673 -11.717 1.00 0.00 H new ATOM 688 N ASN A 48 4.129 1.529 -12.225 1.00 0.00 N ATOM 689 CA ASN A 48 4.633 0.356 -12.929 1.00 0.00 C ATOM 690 C ASN A 48 4.113 -0.928 -12.289 1.00 0.00 C ATOM 691 O ASN A 48 4.463 -1.255 -11.155 1.00 0.00 O ATOM 692 CB ASN A 48 6.163 0.355 -12.930 1.00 0.00 C ATOM 693 CG ASN A 48 6.740 -0.575 -13.981 1.00 0.00 C ATOM 694 OD1 ASN A 48 6.008 -1.148 -14.787 1.00 0.00 O ATOM 695 ND2 ASN A 48 8.059 -0.729 -13.974 1.00 0.00 N ATOM 0 H ASN A 48 4.064 1.418 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 48 4.275 0.399 -13.958 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.524 1.368 -13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.524 0.056 -11.946 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.504 -1.343 -14.656 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.627 -0.233 -13.287 1.00 0.00 H new ATOM 702 N LYS A 49 3.275 -1.651 -13.024 1.00 0.00 N ATOM 703 CA LYS A 49 2.707 -2.900 -12.530 1.00 0.00 C ATOM 704 C LYS A 49 3.701 -4.047 -12.682 1.00 0.00 C ATOM 705 O LYS A 49 3.338 -5.141 -13.113 1.00 0.00 O ATOM 706 CB LYS A 49 1.415 -3.228 -13.281 1.00 0.00 C ATOM 707 CG LYS A 49 1.620 -3.474 -14.766 1.00 0.00 C ATOM 708 CD LYS A 49 0.346 -3.971 -15.430 1.00 0.00 C ATOM 709 CE LYS A 49 -0.522 -2.816 -15.905 1.00 0.00 C ATOM 710 NZ LYS A 49 -1.814 -3.291 -16.472 1.00 0.00 N ATOM 0 H LYS A 49 2.974 -1.394 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 49 2.483 -2.775 -11.471 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.959 -4.112 -12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.711 -2.406 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.946 -2.552 -15.247 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.415 -4.206 -14.908 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.601 -4.608 -16.277 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.217 -4.585 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.717 -2.141 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.017 -2.243 -16.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.377 -2.474 -16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.629 -3.915 -17.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.340 -3.816 -15.745 1.00 0.00 H new ATOM 724 N GLN A 50 4.954 -3.789 -12.324 1.00 0.00 N ATOM 725 CA GLN A 50 5.999 -4.802 -12.420 1.00 0.00 C ATOM 726 C GLN A 50 7.006 -4.655 -11.283 1.00 0.00 C ATOM 727 O GLN A 50 7.052 -3.624 -10.613 1.00 0.00 O ATOM 728 CB GLN A 50 6.716 -4.699 -13.767 1.00 0.00 C ATOM 729 CG GLN A 50 5.907 -5.250 -14.930 1.00 0.00 C ATOM 730 CD GLN A 50 5.980 -6.761 -15.028 1.00 0.00 C ATOM 731 OE1 GLN A 50 4.985 -7.457 -14.823 1.00 0.00 O ATOM 732 NE2 GLN A 50 7.162 -7.278 -15.343 1.00 0.00 N ATOM 0 H GLN A 50 5.271 -2.888 -11.965 1.00 0.00 H new ATOM 0 HA GLN A 50 5.528 -5.782 -12.340 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.954 -3.654 -13.964 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.663 -5.236 -13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.866 -4.947 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.269 -4.812 -15.860 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.960 -6.664 -15.505 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.271 -8.289 -15.423 1.00 0.00 H new ATOM 741 N GLN A 51 7.808 -5.693 -11.072 1.00 0.00 N ATOM 742 CA GLN A 51 8.812 -5.680 -10.015 1.00 0.00 C ATOM 743 C GLN A 51 10.172 -5.259 -10.562 1.00 0.00 C ATOM 744 O GLN A 51 10.661 -5.825 -11.540 1.00 0.00 O ATOM 745 CB GLN A 51 8.917 -7.059 -9.363 1.00 0.00 C ATOM 746 CG GLN A 51 7.726 -7.409 -8.485 1.00 0.00 C ATOM 747 CD GLN A 51 6.464 -7.660 -9.285 1.00 0.00 C ATOM 748 OE1 GLN A 51 5.539 -6.847 -9.281 1.00 0.00 O ATOM 749 NE2 GLN A 51 6.418 -8.792 -9.979 1.00 0.00 N ATOM 0 H GLN A 51 7.782 -6.554 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 51 8.501 -4.954 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.017 -7.814 -10.143 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.825 -7.099 -8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.961 -8.296 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.549 -6.597 -7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.207 -9.438 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.594 -9.015 -10.537 1.00 0.00 H new ATOM 758 N SER A 52 10.778 -4.262 -9.925 1.00 0.00 N ATOM 759 CA SER A 52 12.080 -3.762 -10.350 1.00 0.00 C ATOM 760 C SER A 52 12.189 -3.756 -11.872 1.00 0.00 C ATOM 761 O SER A 52 13.219 -4.128 -12.434 1.00 0.00 O ATOM 762 CB SER A 52 13.199 -4.617 -9.751 1.00 0.00 C ATOM 763 OG SER A 52 13.467 -4.240 -8.412 1.00 0.00 O ATOM 0 H SER A 52 10.388 -3.785 -9.112 1.00 0.00 H new ATOM 0 HA SER A 52 12.183 -2.738 -9.991 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.916 -5.669 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.103 -4.510 -10.350 1.00 0.00 H new ATOM 0 HG SER A 52 14.184 -4.802 -8.051 1.00 0.00 H new ATOM 769 N GLY A 53 11.118 -3.330 -12.534 1.00 0.00 N ATOM 770 CA GLY A 53 11.112 -3.283 -13.985 1.00 0.00 C ATOM 771 C GLY A 53 12.303 -2.532 -14.545 1.00 0.00 C ATOM 772 O GLY A 53 12.792 -1.570 -13.953 1.00 0.00 O ATOM 0 H GLY A 53 10.254 -3.016 -12.092 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.110 -4.300 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.193 -2.807 -14.326 1.00 0.00 H new ATOM 776 N PRO A 54 12.790 -2.974 -15.714 1.00 0.00 N ATOM 777 CA PRO A 54 13.938 -2.352 -16.380 1.00 0.00 C ATOM 778 C PRO A 54 13.610 -0.968 -16.928 1.00 0.00 C ATOM 779 O PRO A 54 14.454 -0.319 -17.548 1.00 0.00 O ATOM 780 CB PRO A 54 14.253 -3.320 -17.523 1.00 0.00 C ATOM 781 CG PRO A 54 12.962 -4.011 -17.800 1.00 0.00 C ATOM 782 CD PRO A 54 12.256 -4.116 -16.476 1.00 0.00 C ATOM 0 HA PRO A 54 14.771 -2.196 -15.695 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.615 -2.789 -18.403 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.029 -4.030 -17.238 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.364 -3.449 -18.517 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.132 -4.998 -18.231 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.174 -4.052 -16.591 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.468 -5.064 -15.981 1.00 0.00 H new ATOM 790 N SER A 55 12.380 -0.520 -16.696 1.00 0.00 N ATOM 791 CA SER A 55 11.940 0.786 -17.170 1.00 0.00 C ATOM 792 C SER A 55 11.724 0.772 -18.681 1.00 0.00 C ATOM 793 O SER A 55 12.223 1.639 -19.398 1.00 0.00 O ATOM 794 CB SER A 55 12.966 1.859 -16.800 1.00 0.00 C ATOM 795 OG SER A 55 12.395 3.154 -16.861 1.00 0.00 O ATOM 0 H SER A 55 11.671 -1.043 -16.182 1.00 0.00 H new ATOM 0 HA SER A 55 10.991 1.019 -16.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.345 1.673 -15.795 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.817 1.801 -17.478 1.00 0.00 H new ATOM 0 HG SER A 55 12.054 3.319 -17.765 1.00 0.00 H new ATOM 801 N SER A 56 10.977 -0.219 -19.156 1.00 0.00 N ATOM 802 CA SER A 56 10.698 -0.350 -20.581 1.00 0.00 C ATOM 803 C SER A 56 9.194 -0.378 -20.839 1.00 0.00 C ATOM 804 O SER A 56 8.706 -1.172 -21.643 1.00 0.00 O ATOM 805 CB SER A 56 11.346 -1.621 -21.135 1.00 0.00 C ATOM 806 OG SER A 56 10.814 -2.777 -20.511 1.00 0.00 O ATOM 0 H SER A 56 10.554 -0.943 -18.575 1.00 0.00 H new ATOM 0 HA SER A 56 11.121 0.516 -21.090 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.183 -1.677 -22.211 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.424 -1.582 -20.978 1.00 0.00 H new ATOM 0 HG SER A 56 11.242 -3.576 -20.883 1.00 0.00 H new ATOM 812 N GLY A 57 8.466 0.496 -20.152 1.00 0.00 N ATOM 813 CA GLY A 57 7.025 0.555 -20.320 1.00 0.00 C ATOM 814 C GLY A 57 6.615 1.404 -21.507 1.00 0.00 C ATOM 815 O GLY A 57 5.875 0.948 -22.378 1.00 0.00 O ATOM 0 H GLY A 57 8.847 1.164 -19.482 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.635 -0.455 -20.447 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.573 0.959 -19.414 1.00 0.00 H new TER 819 GLY A 57