USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 25 GLN : amide:sc= -2.95 K(o=-5.7,f=-14!) USER MOD Set 1.2: A 37 MET CE :methyl -149:sc= -2.71! (180deg=-0.445) USER MOD Set 1.3: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0396 X(o=-0.04,f=-0.43) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 160:sc= -0.715 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 176:sc= 0 (180deg=-0.0171) USER MOD Single : A 46 ASN : amide:sc= -0.085 X(o=-0.085,f=-0.56) USER MOD Single : A 48 TYR OH : rot -153:sc= 0.0214 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -1.39 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -44:sc= 0.918 USER MOD Single : A 61 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.022) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00645 X(o=-0.0064,f=-0.47) USER MOD Single : A 72 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.092) USER MOD Single : A 76 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 79 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.63) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 2.138 22.319 -7.189 1.00 0.00 N ATOM 63 CA LYS A 5 2.704 21.099 -7.761 1.00 0.00 C ATOM 64 C LYS A 5 3.570 20.370 -6.739 1.00 0.00 C ATOM 65 O LYS A 5 3.614 19.144 -6.717 1.00 0.00 O ATOM 66 CB LYS A 5 3.533 21.430 -9.003 1.00 0.00 C ATOM 67 CG LYS A 5 4.181 20.215 -9.648 1.00 0.00 C ATOM 68 CD LYS A 5 5.603 20.008 -9.150 1.00 0.00 C ATOM 69 CE LYS A 5 6.494 21.189 -9.499 1.00 0.00 C ATOM 70 NZ LYS A 5 7.937 20.825 -9.476 1.00 0.00 N ATOM 0 HA LYS A 5 1.880 20.445 -8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.893 21.921 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.311 22.143 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.586 19.327 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.188 20.338 -10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.594 19.865 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.014 19.099 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.230 21.562 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.313 22.000 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.509 21.659 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.196 20.493 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.115 20.069 -10.167 1.00 0.00 H new ATOM 84 N ALA A 6 4.257 21.133 -5.895 1.00 0.00 N ATOM 85 CA ALA A 6 5.119 20.547 -4.874 1.00 0.00 C ATOM 86 C ALA A 6 4.354 19.491 -4.080 1.00 0.00 C ATOM 87 O ALA A 6 4.913 18.469 -3.670 1.00 0.00 O ATOM 88 CB ALA A 6 5.651 21.628 -3.944 1.00 0.00 C ATOM 0 H ALA A 6 4.234 22.153 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 6 5.966 20.068 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.292 21.174 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.226 22.353 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.816 22.132 -3.457 1.00 0.00 H new ATOM 94 N ASN A 7 3.061 19.730 -3.903 1.00 0.00 N ATOM 95 CA ASN A 7 2.202 18.795 -3.194 1.00 0.00 C ATOM 96 C ASN A 7 1.941 17.571 -4.063 1.00 0.00 C ATOM 97 O ASN A 7 1.933 16.440 -3.578 1.00 0.00 O ATOM 98 CB ASN A 7 0.881 19.467 -2.816 1.00 0.00 C ATOM 99 CG ASN A 7 0.447 19.132 -1.402 1.00 0.00 C ATOM 100 OD1 ASN A 7 0.727 18.046 -0.894 1.00 0.00 O ATOM 101 ND2 ASN A 7 -0.241 20.067 -0.757 1.00 0.00 N ATOM 0 H ASN A 7 2.585 20.566 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 7 2.703 18.480 -2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.985 20.548 -2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.105 19.156 -3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.559 19.899 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.451 20.953 -1.216 1.00 0.00 H new ATOM 108 N LYS A 8 1.744 17.809 -5.357 1.00 0.00 N ATOM 109 CA LYS A 8 1.499 16.730 -6.305 1.00 0.00 C ATOM 110 C LYS A 8 2.733 15.844 -6.425 1.00 0.00 C ATOM 111 O LYS A 8 2.627 14.620 -6.491 1.00 0.00 O ATOM 112 CB LYS A 8 1.126 17.298 -7.676 1.00 0.00 C ATOM 113 CG LYS A 8 0.468 16.282 -8.596 1.00 0.00 C ATOM 114 CD LYS A 8 -0.043 16.933 -9.873 1.00 0.00 C ATOM 115 CE LYS A 8 0.833 16.590 -11.069 1.00 0.00 C ATOM 116 NZ LYS A 8 1.605 17.769 -11.549 1.00 0.00 N ATOM 0 H LYS A 8 1.750 18.741 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 8 0.667 16.129 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.451 18.143 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.025 17.683 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.184 15.500 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.360 15.801 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.065 16.606 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.074 18.015 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.523 15.791 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.210 16.210 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.189 17.493 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.947 18.522 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.219 18.116 -10.785 1.00 0.00 H new ATOM 130 N ASP A 9 3.903 16.474 -6.437 1.00 0.00 N ATOM 131 CA ASP A 9 5.159 15.747 -6.531 1.00 0.00 C ATOM 132 C ASP A 9 5.338 14.870 -5.302 1.00 0.00 C ATOM 133 O ASP A 9 5.766 13.721 -5.401 1.00 0.00 O ATOM 134 CB ASP A 9 6.333 16.719 -6.660 1.00 0.00 C ATOM 135 CG ASP A 9 7.598 16.036 -7.140 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.915 14.942 -6.627 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.274 16.594 -8.031 1.00 0.00 O ATOM 0 H ASP A 9 4.005 17.487 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 9 5.135 15.117 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.067 17.515 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.521 17.188 -5.694 1.00 0.00 H new ATOM 142 N LEU A 10 4.992 15.421 -4.141 1.00 0.00 N ATOM 143 CA LEU A 10 5.102 14.681 -2.891 1.00 0.00 C ATOM 144 C LEU A 10 4.228 13.429 -2.933 1.00 0.00 C ATOM 145 O LEU A 10 4.668 12.340 -2.555 1.00 0.00 O ATOM 146 CB LEU A 10 4.695 15.568 -1.711 1.00 0.00 C ATOM 147 CG LEU A 10 5.663 15.551 -0.527 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.874 14.129 -0.030 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.991 16.184 -0.916 1.00 0.00 C ATOM 0 H LEU A 10 4.635 16.372 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 10 6.141 14.377 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.595 16.594 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.711 15.254 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 10 5.227 16.136 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.566 14.137 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.920 13.709 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.288 13.520 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.668 16.164 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.432 15.626 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.826 17.217 -1.223 1.00 0.00 H new ATOM 161 N ILE A 11 2.989 13.588 -3.396 1.00 0.00 N ATOM 162 CA ILE A 11 2.062 12.464 -3.485 1.00 0.00 C ATOM 163 C ILE A 11 2.549 11.428 -4.494 1.00 0.00 C ATOM 164 O ILE A 11 2.629 10.241 -4.180 1.00 0.00 O ATOM 165 CB ILE A 11 0.647 12.935 -3.886 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.127 13.973 -2.887 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.309 11.751 -3.979 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.297 13.383 -1.557 1.00 0.00 C ATOM 0 H ILE A 11 2.607 14.479 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 11 2.018 12.008 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 11 0.705 13.402 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.904 14.717 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.721 14.496 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.300 12.105 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.054 11.048 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.365 11.252 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.653 14.179 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.097 12.660 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.554 12.885 -1.092 1.00 0.00 H new ATOM 180 N SER A 12 2.868 11.874 -5.707 1.00 0.00 N ATOM 181 CA SER A 12 3.338 10.969 -6.750 1.00 0.00 C ATOM 182 C SER A 12 4.624 10.267 -6.331 1.00 0.00 C ATOM 183 O SER A 12 4.786 9.070 -6.556 1.00 0.00 O ATOM 184 CB SER A 12 3.564 11.736 -8.055 1.00 0.00 C ATOM 185 OG SER A 12 3.905 10.855 -9.112 1.00 0.00 O ATOM 0 H SER A 12 2.810 12.852 -5.990 1.00 0.00 H new ATOM 0 HA SER A 12 2.570 10.211 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.662 12.290 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.359 12.468 -7.917 1.00 0.00 H new ATOM 0 HG SER A 12 4.043 11.369 -9.935 1.00 0.00 H new ATOM 191 N ALA A 13 5.534 11.013 -5.716 1.00 0.00 N ATOM 192 CA ALA A 13 6.796 10.443 -5.263 1.00 0.00 C ATOM 193 C ALA A 13 6.541 9.357 -4.230 1.00 0.00 C ATOM 194 O ALA A 13 7.199 8.316 -4.229 1.00 0.00 O ATOM 195 CB ALA A 13 7.699 11.525 -4.692 1.00 0.00 C ATOM 0 H ALA A 13 5.423 12.008 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 13 7.302 9.996 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.636 11.079 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.905 12.270 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.204 12.003 -3.846 1.00 0.00 H new ATOM 201 N GLY A 14 5.562 9.598 -3.364 1.00 0.00 N ATOM 202 CA GLY A 14 5.220 8.618 -2.354 1.00 0.00 C ATOM 203 C GLY A 14 4.454 7.456 -2.951 1.00 0.00 C ATOM 204 O GLY A 14 4.562 6.321 -2.484 1.00 0.00 O ATOM 0 H GLY A 14 5.003 10.451 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.129 8.251 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.621 9.089 -1.575 1.00 0.00 H new ATOM 208 N LEU A 15 3.691 7.735 -4.004 1.00 0.00 N ATOM 209 CA LEU A 15 2.926 6.696 -4.674 1.00 0.00 C ATOM 210 C LEU A 15 3.865 5.793 -5.461 1.00 0.00 C ATOM 211 O LEU A 15 3.695 4.574 -5.490 1.00 0.00 O ATOM 212 CB LEU A 15 1.888 7.325 -5.608 1.00 0.00 C ATOM 213 CG LEU A 15 0.452 7.314 -5.082 1.00 0.00 C ATOM 214 CD1 LEU A 15 0.134 8.627 -4.383 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.530 7.059 -6.217 1.00 0.00 C ATOM 0 H LEU A 15 3.588 8.666 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 15 2.404 6.099 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.178 8.357 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.913 6.798 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 15 0.354 6.506 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.891 8.604 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.818 8.768 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.248 9.451 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.547 7.055 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.433 7.846 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.314 6.094 -6.675 1.00 0.00 H new ATOM 227 N LYS A 16 4.864 6.403 -6.097 1.00 0.00 N ATOM 228 CA LYS A 16 5.839 5.661 -6.881 1.00 0.00 C ATOM 229 C LYS A 16 6.667 4.760 -5.974 1.00 0.00 C ATOM 230 O LYS A 16 6.766 3.553 -6.200 1.00 0.00 O ATOM 231 CB LYS A 16 6.751 6.634 -7.634 1.00 0.00 C ATOM 232 CG LYS A 16 7.844 5.955 -8.441 1.00 0.00 C ATOM 233 CD LYS A 16 9.115 6.789 -8.468 1.00 0.00 C ATOM 234 CE LYS A 16 8.954 8.018 -9.347 1.00 0.00 C ATOM 235 NZ LYS A 16 10.053 8.999 -9.136 1.00 0.00 N ATOM 0 H LYS A 16 5.016 7.411 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 16 5.312 5.038 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.143 7.242 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.212 7.314 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.059 4.976 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.495 5.788 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.372 7.096 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.942 6.182 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.934 7.715 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.997 8.494 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.906 9.823 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.057 9.308 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.965 8.553 -9.364 1.00 0.00 H new ATOM 249 N GLU A 17 7.249 5.355 -4.936 1.00 0.00 N ATOM 250 CA GLU A 17 8.055 4.605 -3.984 1.00 0.00 C ATOM 251 C GLU A 17 7.236 3.464 -3.394 1.00 0.00 C ATOM 252 O GLU A 17 7.741 2.358 -3.190 1.00 0.00 O ATOM 253 CB GLU A 17 8.563 5.528 -2.869 1.00 0.00 C ATOM 254 CG GLU A 17 7.458 6.141 -2.028 1.00 0.00 C ATOM 255 CD GLU A 17 6.934 5.197 -0.964 1.00 0.00 C ATOM 256 OE1 GLU A 17 7.569 4.146 -0.737 1.00 0.00 O ATOM 257 OE2 GLU A 17 5.887 5.508 -0.358 1.00 0.00 O ATOM 0 H GLU A 17 7.176 6.352 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 17 8.917 4.188 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.230 4.963 -2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.154 6.328 -3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.832 7.047 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.636 6.439 -2.679 1.00 0.00 H new ATOM 264 N PHE A 18 5.963 3.741 -3.127 1.00 0.00 N ATOM 265 CA PHE A 18 5.073 2.737 -2.566 1.00 0.00 C ATOM 266 C PHE A 18 4.939 1.542 -3.501 1.00 0.00 C ATOM 267 O PHE A 18 5.078 0.398 -3.079 1.00 0.00 O ATOM 268 CB PHE A 18 3.695 3.341 -2.289 1.00 0.00 C ATOM 269 CG PHE A 18 2.892 2.565 -1.285 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.426 2.252 -0.045 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.606 2.146 -1.582 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.691 1.537 0.881 1.00 0.00 C ATOM 273 CE2 PHE A 18 0.866 1.429 -0.661 1.00 0.00 C ATOM 274 CZ PHE A 18 1.408 1.125 0.572 1.00 0.00 C ATOM 0 H PHE A 18 5.529 4.649 -3.290 1.00 0.00 H new ATOM 0 HA PHE A 18 5.505 2.392 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.820 4.363 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.137 3.397 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.428 2.571 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.176 2.382 -2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.118 1.300 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.135 1.107 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.831 0.566 1.294 1.00 0.00 H new ATOM 284 N SER A 19 4.672 1.813 -4.773 1.00 0.00 N ATOM 285 CA SER A 19 4.519 0.753 -5.766 1.00 0.00 C ATOM 286 C SER A 19 5.779 -0.099 -5.868 1.00 0.00 C ATOM 287 O SER A 19 5.703 -1.318 -6.015 1.00 0.00 O ATOM 288 CB SER A 19 4.186 1.353 -7.133 1.00 0.00 C ATOM 289 OG SER A 19 3.243 0.554 -7.824 1.00 0.00 O ATOM 0 H SER A 19 4.557 2.757 -5.142 1.00 0.00 H new ATOM 0 HA SER A 19 3.699 0.111 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.789 2.360 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.096 1.442 -7.726 1.00 0.00 H new ATOM 0 HG SER A 19 3.046 0.960 -8.694 1.00 0.00 H new ATOM 295 N VAL A 20 6.937 0.546 -5.780 1.00 0.00 N ATOM 296 CA VAL A 20 8.209 -0.167 -5.856 1.00 0.00 C ATOM 297 C VAL A 20 8.391 -1.051 -4.631 1.00 0.00 C ATOM 298 O VAL A 20 8.997 -2.119 -4.702 1.00 0.00 O ATOM 299 CB VAL A 20 9.408 0.799 -5.955 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.614 0.088 -6.550 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.047 2.029 -6.773 1.00 0.00 C ATOM 0 H VAL A 20 7.023 1.555 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 20 8.180 -0.775 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 20 9.666 1.130 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.451 0.783 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.889 -0.755 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.367 -0.274 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.908 2.695 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.758 1.725 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.215 2.550 -6.299 1.00 0.00 H new ATOM 311 N LEU A 21 7.856 -0.589 -3.510 1.00 0.00 N ATOM 312 CA LEU A 21 7.950 -1.326 -2.256 1.00 0.00 C ATOM 313 C LEU A 21 6.961 -2.494 -2.223 1.00 0.00 C ATOM 314 O LEU A 21 7.308 -3.600 -1.813 1.00 0.00 O ATOM 315 CB LEU A 21 7.692 -0.386 -1.075 1.00 0.00 C ATOM 316 CG LEU A 21 7.501 -1.075 0.279 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.575 -2.130 0.498 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.516 -0.049 1.404 1.00 0.00 C ATOM 0 H LEU A 21 7.351 0.295 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 21 8.958 -1.735 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.528 0.309 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.803 0.207 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 21 6.531 -1.572 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.423 -2.609 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.515 -2.879 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.558 -1.659 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.379 -0.555 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.471 0.476 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.708 0.667 1.254 1.00 0.00 H new ATOM 330 N LEU A 22 5.727 -2.230 -2.638 1.00 0.00 N ATOM 331 CA LEU A 22 4.679 -3.248 -2.638 1.00 0.00 C ATOM 332 C LEU A 22 4.968 -4.376 -3.631 1.00 0.00 C ATOM 333 O LEU A 22 4.612 -5.529 -3.389 1.00 0.00 O ATOM 334 CB LEU A 22 3.327 -2.613 -2.970 1.00 0.00 C ATOM 335 CG LEU A 22 2.886 -1.471 -2.049 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.549 -0.906 -2.508 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.803 -1.942 -0.603 1.00 0.00 C ATOM 0 H LEU A 22 5.426 -1.317 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 22 4.653 -3.681 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.364 -2.237 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.564 -3.391 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 22 3.633 -0.679 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.249 -0.096 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.645 -0.525 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.794 -1.692 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.488 -1.114 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.080 -2.754 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.782 -2.296 -0.279 1.00 0.00 H new ATOM 349 N ASN A 23 5.590 -4.039 -4.757 1.00 0.00 N ATOM 350 CA ASN A 23 5.894 -5.034 -5.784 1.00 0.00 C ATOM 351 C ASN A 23 7.215 -5.755 -5.513 1.00 0.00 C ATOM 352 O ASN A 23 7.417 -6.882 -5.961 1.00 0.00 O ATOM 353 CB ASN A 23 5.939 -4.369 -7.163 1.00 0.00 C ATOM 354 CG ASN A 23 4.617 -4.474 -7.898 1.00 0.00 C ATOM 355 OD1 ASN A 23 4.140 -5.571 -8.189 1.00 0.00 O ATOM 356 ND2 ASN A 23 4.016 -3.329 -8.204 1.00 0.00 N ATOM 0 H ASN A 23 5.892 -3.091 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 23 5.099 -5.780 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.206 -3.318 -7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.723 -4.833 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.124 -3.338 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.446 -2.442 -7.944 1.00 0.00 H new ATOM 363 N GLN A 24 8.121 -5.087 -4.810 1.00 0.00 N ATOM 364 CA GLN A 24 9.441 -5.650 -4.512 1.00 0.00 C ATOM 365 C GLN A 24 9.392 -6.958 -3.702 1.00 0.00 C ATOM 366 O GLN A 24 10.421 -7.396 -3.187 1.00 0.00 O ATOM 367 CB GLN A 24 10.293 -4.617 -3.774 1.00 0.00 C ATOM 368 CG GLN A 24 11.363 -3.979 -4.646 1.00 0.00 C ATOM 369 CD GLN A 24 12.626 -3.649 -3.874 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.314 -4.541 -3.376 1.00 0.00 O ATOM 371 NE2 GLN A 24 12.937 -2.363 -3.769 1.00 0.00 N ATOM 0 H GLN A 24 7.969 -4.152 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 24 9.889 -5.901 -5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.643 -3.836 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.770 -5.095 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.609 -4.655 -5.465 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.966 -3.067 -5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.338 -1.657 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.775 -2.081 -3.260 1.00 0.00 H new ATOM 380 N GLN A 25 8.226 -7.594 -3.602 1.00 0.00 N ATOM 381 CA GLN A 25 8.119 -8.852 -2.867 1.00 0.00 C ATOM 382 C GLN A 25 8.547 -10.020 -3.753 1.00 0.00 C ATOM 383 O GLN A 25 8.884 -9.827 -4.922 1.00 0.00 O ATOM 384 CB GLN A 25 6.697 -9.067 -2.351 1.00 0.00 C ATOM 385 CG GLN A 25 6.200 -7.954 -1.439 1.00 0.00 C ATOM 386 CD GLN A 25 7.231 -7.538 -0.405 1.00 0.00 C ATOM 387 OE1 GLN A 25 7.261 -8.066 0.706 1.00 0.00 O ATOM 388 NE2 GLN A 25 8.082 -6.585 -0.767 1.00 0.00 N ATOM 0 H GLN A 25 7.353 -7.264 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 25 8.786 -8.801 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.021 -9.156 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.656 -10.013 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.929 -7.089 -2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.294 -8.284 -0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.022 -6.174 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.796 -6.264 -0.113 1.00 0.00 H new ATOM 397 N VAL A 26 8.563 -11.226 -3.191 1.00 0.00 N ATOM 398 CA VAL A 26 8.988 -12.404 -3.943 1.00 0.00 C ATOM 399 C VAL A 26 7.816 -13.277 -4.404 1.00 0.00 C ATOM 400 O VAL A 26 7.801 -14.483 -4.157 1.00 0.00 O ATOM 401 CB VAL A 26 9.959 -13.270 -3.117 1.00 0.00 C ATOM 402 CG1 VAL A 26 10.565 -14.366 -3.981 1.00 0.00 C ATOM 403 CG2 VAL A 26 11.049 -12.406 -2.497 1.00 0.00 C ATOM 0 H VAL A 26 8.289 -11.413 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 26 9.491 -12.019 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 26 9.399 -13.743 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.248 -14.967 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.771 -15.002 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.111 -13.916 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.725 -13.034 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.608 -11.903 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.595 -11.662 -1.843 1.00 0.00 H new ATOM 413 N PHE A 27 6.823 -12.666 -5.047 1.00 0.00 N ATOM 414 CA PHE A 27 5.655 -13.428 -5.491 1.00 0.00 C ATOM 415 C PHE A 27 6.067 -14.488 -6.511 1.00 0.00 C ATOM 416 O PHE A 27 6.147 -14.226 -7.712 1.00 0.00 O ATOM 417 CB PHE A 27 4.584 -12.533 -6.122 1.00 0.00 C ATOM 418 CG PHE A 27 4.408 -11.187 -5.481 1.00 0.00 C ATOM 419 CD1 PHE A 27 3.507 -11.009 -4.440 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.120 -10.090 -5.942 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.321 -9.762 -3.875 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.940 -8.845 -5.376 1.00 0.00 C ATOM 423 CZ PHE A 27 4.040 -8.679 -4.344 1.00 0.00 C ATOM 0 H PHE A 27 6.800 -11.671 -5.269 1.00 0.00 H new ATOM 0 HA PHE A 27 5.233 -13.898 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.831 -12.386 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.630 -13.059 -6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.946 -11.854 -4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.823 -10.212 -6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.615 -9.634 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.504 -8.000 -5.741 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.897 -7.704 -3.903 1.00 0.00 H new ATOM 433 N ASN A 28 6.317 -15.691 -6.002 1.00 0.00 N ATOM 434 CA ASN A 28 6.712 -16.831 -6.823 1.00 0.00 C ATOM 435 C ASN A 28 6.372 -18.125 -6.093 1.00 0.00 C ATOM 436 O ASN A 28 5.716 -19.012 -6.640 1.00 0.00 O ATOM 437 CB ASN A 28 8.209 -16.777 -7.134 1.00 0.00 C ATOM 438 CG ASN A 28 8.534 -17.310 -8.516 1.00 0.00 C ATOM 439 OD1 ASN A 28 8.619 -18.521 -8.724 1.00 0.00 O ATOM 440 ND2 ASN A 28 8.716 -16.406 -9.472 1.00 0.00 N ATOM 0 H ASN A 28 6.251 -15.903 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 28 6.167 -16.794 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.557 -15.747 -7.054 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.753 -17.356 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.935 -16.706 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.636 -15.412 -9.256 1.00 0.00 H new ATOM 447 N ASP A 29 6.802 -18.201 -4.841 1.00 0.00 N ATOM 448 CA ASP A 29 6.532 -19.355 -3.992 1.00 0.00 C ATOM 449 C ASP A 29 5.886 -18.899 -2.684 1.00 0.00 C ATOM 450 O ASP A 29 6.533 -18.249 -1.864 1.00 0.00 O ATOM 451 CB ASP A 29 7.822 -20.122 -3.700 1.00 0.00 C ATOM 452 CG ASP A 29 8.180 -21.092 -4.809 1.00 0.00 C ATOM 453 OD1 ASP A 29 8.579 -20.628 -5.898 1.00 0.00 O ATOM 454 OD2 ASP A 29 8.059 -22.315 -4.591 1.00 0.00 O ATOM 0 H ASP A 29 7.346 -17.468 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 29 5.846 -20.020 -4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.639 -19.414 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.712 -20.669 -2.764 1.00 0.00 H new ATOM 459 N ALA A 30 4.594 -19.173 -2.522 1.00 0.00 N ATOM 460 CA ALA A 30 3.869 -18.708 -1.340 1.00 0.00 C ATOM 461 C ALA A 30 4.265 -19.449 -0.074 1.00 0.00 C ATOM 462 O ALA A 30 3.945 -20.621 0.121 1.00 0.00 O ATOM 463 CB ALA A 30 2.371 -18.841 -1.552 1.00 0.00 C ATOM 0 H ALA A 30 4.032 -19.708 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 30 4.139 -17.660 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.845 -18.491 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.070 -18.241 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.121 -19.886 -1.733 1.00 0.00 H new ATOM 469 N LEU A 31 4.953 -18.708 0.786 1.00 0.00 N ATOM 470 CA LEU A 31 5.430 -19.185 2.076 1.00 0.00 C ATOM 471 C LEU A 31 5.962 -17.981 2.845 1.00 0.00 C ATOM 472 O LEU A 31 6.103 -16.912 2.258 1.00 0.00 O ATOM 473 CB LEU A 31 6.538 -20.227 1.900 1.00 0.00 C ATOM 474 CG LEU A 31 6.066 -21.628 1.505 1.00 0.00 C ATOM 475 CD1 LEU A 31 6.301 -21.873 0.021 1.00 0.00 C ATOM 476 CD2 LEU A 31 6.774 -22.685 2.340 1.00 0.00 C ATOM 0 H LEU A 31 5.200 -17.736 0.600 1.00 0.00 H new ATOM 0 HA LEU A 31 4.615 -19.663 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.233 -19.869 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.096 -20.300 2.833 1.00 0.00 H new ATOM 0 HG LEU A 31 4.996 -21.697 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.959 -22.874 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.747 -21.137 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.365 -21.784 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.426 -23.675 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.850 -22.616 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.554 -22.522 3.395 1.00 0.00 H new ATOM 488 N VAL A 32 6.267 -18.148 4.137 1.00 0.00 N ATOM 489 CA VAL A 32 6.805 -17.069 4.987 1.00 0.00 C ATOM 490 C VAL A 32 5.812 -16.655 6.076 1.00 0.00 C ATOM 491 O VAL A 32 6.160 -16.641 7.255 1.00 0.00 O ATOM 492 CB VAL A 32 7.276 -15.810 4.203 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.132 -14.837 3.933 1.00 0.00 C ATOM 494 CG2 VAL A 32 8.392 -15.113 4.965 1.00 0.00 C ATOM 0 H VAL A 32 6.149 -19.035 4.627 1.00 0.00 H new ATOM 0 HA VAL A 32 7.692 -17.504 5.447 1.00 0.00 H new ATOM 0 HB VAL A 32 7.648 -16.146 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.510 -13.975 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.363 -15.335 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.705 -14.506 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.717 -14.233 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.028 -14.810 5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.233 -15.796 5.085 1.00 0.00 H new ATOM 504 N SER A 33 4.580 -16.325 5.671 1.00 0.00 N ATOM 505 CA SER A 33 3.520 -15.909 6.602 1.00 0.00 C ATOM 506 C SER A 33 2.610 -14.873 5.950 1.00 0.00 C ATOM 507 O SER A 33 3.080 -13.875 5.404 1.00 0.00 O ATOM 508 CB SER A 33 4.091 -15.328 7.903 1.00 0.00 C ATOM 509 OG SER A 33 3.092 -14.630 8.628 1.00 0.00 O ATOM 0 H SER A 33 4.289 -16.338 4.694 1.00 0.00 H new ATOM 0 HA SER A 33 2.947 -16.803 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.497 -16.132 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.917 -14.654 7.673 1.00 0.00 H new ATOM 0 HG SER A 33 3.365 -14.548 9.566 1.00 0.00 H new ATOM 515 N GLU A 34 1.306 -15.115 6.014 1.00 0.00 N ATOM 516 CA GLU A 34 0.330 -14.202 5.433 1.00 0.00 C ATOM 517 C GLU A 34 0.169 -12.946 6.288 1.00 0.00 C ATOM 518 O GLU A 34 0.163 -11.828 5.774 1.00 0.00 O ATOM 519 CB GLU A 34 -1.021 -14.906 5.275 1.00 0.00 C ATOM 520 CG GLU A 34 -2.163 -13.972 4.906 1.00 0.00 C ATOM 521 CD GLU A 34 -2.003 -13.363 3.527 1.00 0.00 C ATOM 522 OE1 GLU A 34 -0.884 -13.429 2.974 1.00 0.00 O ATOM 523 OE2 GLU A 34 -2.995 -12.819 3.000 1.00 0.00 O ATOM 0 H GLU A 34 0.900 -15.936 6.463 1.00 0.00 H new ATOM 0 HA GLU A 34 0.695 -13.899 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.931 -15.675 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.267 -15.413 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.103 -14.521 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.227 -13.174 5.645 1.00 0.00 H new ATOM 530 N GLU A 35 0.024 -13.144 7.591 1.00 0.00 N ATOM 531 CA GLU A 35 -0.157 -12.032 8.520 1.00 0.00 C ATOM 532 C GLU A 35 1.081 -11.145 8.590 1.00 0.00 C ATOM 533 O GLU A 35 0.974 -9.944 8.841 1.00 0.00 O ATOM 534 CB GLU A 35 -0.498 -12.557 9.916 1.00 0.00 C ATOM 535 CG GLU A 35 -1.925 -13.063 10.042 1.00 0.00 C ATOM 536 CD GLU A 35 -2.018 -14.355 10.830 1.00 0.00 C ATOM 537 OE1 GLU A 35 -1.739 -14.328 12.047 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.367 -15.392 10.230 1.00 0.00 O ATOM 0 H GLU A 35 0.028 -14.064 8.031 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.983 -11.426 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.189 -13.364 10.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.337 -11.762 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.535 -12.301 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.341 -13.218 9.046 1.00 0.00 H new ATOM 545 N ASP A 36 2.253 -11.729 8.368 1.00 0.00 N ATOM 546 CA ASP A 36 3.491 -10.960 8.412 1.00 0.00 C ATOM 547 C ASP A 36 3.498 -9.903 7.320 1.00 0.00 C ATOM 548 O ASP A 36 3.637 -8.710 7.598 1.00 0.00 O ATOM 549 CB ASP A 36 4.703 -11.881 8.263 1.00 0.00 C ATOM 550 CG ASP A 36 5.883 -11.427 9.100 1.00 0.00 C ATOM 551 OD1 ASP A 36 6.504 -10.402 8.745 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.185 -12.095 10.111 1.00 0.00 O ATOM 0 H ASP A 36 2.372 -12.720 8.158 1.00 0.00 H new ATOM 0 HA ASP A 36 3.551 -10.463 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.424 -12.894 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.999 -11.920 7.215 1.00 0.00 H new ATOM 557 N MET A 37 3.323 -10.338 6.077 1.00 0.00 N ATOM 558 CA MET A 37 3.288 -9.411 4.957 1.00 0.00 C ATOM 559 C MET A 37 2.176 -8.396 5.176 1.00 0.00 C ATOM 560 O MET A 37 2.367 -7.193 4.995 1.00 0.00 O ATOM 561 CB MET A 37 3.069 -10.160 3.643 1.00 0.00 C ATOM 562 CG MET A 37 3.224 -9.284 2.411 1.00 0.00 C ATOM 563 SD MET A 37 4.859 -8.533 2.295 1.00 0.00 S ATOM 564 CE MET A 37 5.884 -9.987 2.097 1.00 0.00 C ATOM 0 H MET A 37 3.204 -11.319 5.823 1.00 0.00 H new ATOM 0 HA MET A 37 4.245 -8.893 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.778 -10.986 3.583 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.070 -10.596 3.645 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.039 -9.882 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.468 -8.499 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.862 -9.806 2.543 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.411 -10.836 2.591 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.004 -10.206 1.036 1.00 0.00 H new ATOM 574 N VAL A 38 1.003 -8.901 5.549 1.00 0.00 N ATOM 575 CA VAL A 38 -0.155 -8.052 5.773 1.00 0.00 C ATOM 576 C VAL A 38 0.143 -6.977 6.816 1.00 0.00 C ATOM 577 O VAL A 38 -0.199 -5.809 6.619 1.00 0.00 O ATOM 578 CB VAL A 38 -1.367 -8.892 6.234 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.546 -8.002 6.606 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.763 -9.890 5.155 1.00 0.00 C ATOM 0 H VAL A 38 0.833 -9.895 5.702 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.392 -7.567 4.826 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.075 -9.445 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.383 -8.622 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.257 -7.335 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.843 -7.411 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.618 -10.474 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.029 -9.354 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.926 -10.558 4.952 1.00 0.00 H new ATOM 590 N THR A 39 0.783 -7.353 7.924 1.00 0.00 N ATOM 591 CA THR A 39 1.107 -6.384 8.962 1.00 0.00 C ATOM 592 C THR A 39 2.085 -5.343 8.430 1.00 0.00 C ATOM 593 O THR A 39 2.032 -4.173 8.807 1.00 0.00 O ATOM 594 CB THR A 39 1.691 -7.103 10.187 1.00 0.00 C ATOM 595 OG1 THR A 39 1.161 -6.562 11.385 1.00 0.00 O ATOM 596 CG2 THR A 39 3.203 -7.039 10.285 1.00 0.00 C ATOM 0 H THR A 39 1.082 -8.308 8.121 1.00 0.00 H new ATOM 0 HA THR A 39 0.194 -5.870 9.263 1.00 0.00 H new ATOM 0 HB THR A 39 1.407 -8.147 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.543 -7.034 12.154 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.533 -7.571 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.645 -7.502 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.520 -5.998 10.345 1.00 0.00 H new ATOM 604 N VAL A 40 2.972 -5.783 7.546 1.00 0.00 N ATOM 605 CA VAL A 40 3.962 -4.897 6.951 1.00 0.00 C ATOM 606 C VAL A 40 3.293 -3.812 6.113 1.00 0.00 C ATOM 607 O VAL A 40 3.601 -2.628 6.253 1.00 0.00 O ATOM 608 CB VAL A 40 4.951 -5.681 6.064 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.067 -4.772 5.573 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.516 -6.875 6.820 1.00 0.00 C ATOM 0 H VAL A 40 3.025 -6.750 7.226 1.00 0.00 H new ATOM 0 HA VAL A 40 4.509 -4.432 7.771 1.00 0.00 H new ATOM 0 HB VAL A 40 4.412 -6.055 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.754 -5.344 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.641 -3.956 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.607 -4.364 6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.212 -7.416 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.039 -6.527 7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.702 -7.538 7.113 1.00 0.00 H new ATOM 620 N VAL A 41 2.375 -4.222 5.244 1.00 0.00 N ATOM 621 CA VAL A 41 1.662 -3.282 4.386 1.00 0.00 C ATOM 622 C VAL A 41 0.888 -2.265 5.215 1.00 0.00 C ATOM 623 O VAL A 41 0.958 -1.062 4.961 1.00 0.00 O ATOM 624 CB VAL A 41 0.681 -4.004 3.441 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.064 -3.019 2.459 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.377 -5.135 2.699 1.00 0.00 C ATOM 0 H VAL A 41 2.107 -5.198 5.115 1.00 0.00 H new ATOM 0 HA VAL A 41 2.416 -2.770 3.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.118 -4.436 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.626 -3.546 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.477 -2.248 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.852 -2.556 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.665 -5.629 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.199 -4.731 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.766 -5.856 3.418 1.00 0.00 H new ATOM 636 N GLU A 42 0.152 -2.752 6.209 1.00 0.00 N ATOM 637 CA GLU A 42 -0.629 -1.876 7.072 1.00 0.00 C ATOM 638 C GLU A 42 0.283 -0.935 7.852 1.00 0.00 C ATOM 639 O GLU A 42 -0.020 0.246 8.018 1.00 0.00 O ATOM 640 CB GLU A 42 -1.482 -2.703 8.038 1.00 0.00 C ATOM 641 CG GLU A 42 -2.978 -2.514 7.843 1.00 0.00 C ATOM 642 CD GLU A 42 -3.739 -3.824 7.876 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.748 -4.479 8.940 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.327 -4.196 6.839 1.00 0.00 O ATOM 0 H GLU A 42 0.081 -3.744 6.435 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.288 -1.277 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.238 -3.758 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.221 -2.435 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.362 -1.855 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.157 -2.018 6.889 1.00 0.00 H new ATOM 651 N ASP A 43 1.399 -1.471 8.333 1.00 0.00 N ATOM 652 CA ASP A 43 2.359 -0.686 9.101 1.00 0.00 C ATOM 653 C ASP A 43 2.919 0.467 8.275 1.00 0.00 C ATOM 654 O ASP A 43 2.937 1.612 8.724 1.00 0.00 O ATOM 655 CB ASP A 43 3.503 -1.578 9.586 1.00 0.00 C ATOM 656 CG ASP A 43 4.277 -0.954 10.729 1.00 0.00 C ATOM 657 OD1 ASP A 43 5.078 -0.031 10.470 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.085 -1.389 11.884 1.00 0.00 O ATOM 0 H ASP A 43 1.662 -2.448 8.204 1.00 0.00 H new ATOM 0 HA ASP A 43 1.836 -0.268 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.100 -2.539 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.182 -1.777 8.757 1.00 0.00 H new ATOM 663 N TRP A 44 3.387 0.159 7.068 1.00 0.00 N ATOM 664 CA TRP A 44 3.959 1.173 6.190 1.00 0.00 C ATOM 665 C TRP A 44 2.937 2.250 5.839 1.00 0.00 C ATOM 666 O TRP A 44 3.224 3.443 5.926 1.00 0.00 O ATOM 667 CB TRP A 44 4.475 0.520 4.905 1.00 0.00 C ATOM 668 CG TRP A 44 5.672 -0.357 5.115 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.524 -0.339 6.180 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.151 -1.378 4.233 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.505 -1.287 6.015 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.298 -1.938 4.827 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.720 -1.875 3.000 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.018 -2.969 4.228 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.436 -2.897 2.408 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.574 -3.435 3.022 1.00 0.00 C ATOM 0 H TRP A 44 3.381 -0.783 6.677 1.00 0.00 H new ATOM 0 HA TRP A 44 4.784 1.646 6.722 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.674 -0.072 4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.728 1.300 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.440 0.323 7.029 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.264 -1.475 6.670 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.843 -1.467 2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.896 -3.385 4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.113 -3.288 1.455 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.111 -4.234 2.533 1.00 0.00 H new ATOM 687 N MET A 45 1.749 1.821 5.425 1.00 0.00 N ATOM 688 CA MET A 45 0.693 2.751 5.039 1.00 0.00 C ATOM 689 C MET A 45 0.375 3.740 6.154 1.00 0.00 C ATOM 690 O MET A 45 0.307 4.946 5.921 1.00 0.00 O ATOM 691 CB MET A 45 -0.571 1.984 4.649 1.00 0.00 C ATOM 692 CG MET A 45 -1.688 2.876 4.136 1.00 0.00 C ATOM 693 SD MET A 45 -2.771 2.032 2.967 1.00 0.00 S ATOM 694 CE MET A 45 -3.490 0.778 4.022 1.00 0.00 C ATOM 0 H MET A 45 1.493 0.837 5.348 1.00 0.00 H new ATOM 0 HA MET A 45 1.054 3.318 4.181 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.320 1.252 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.930 1.427 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.279 3.233 4.980 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.255 3.754 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.238 0.216 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.709 0.100 4.366 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.962 1.253 4.882 1.00 0.00 H new ATOM 704 N ASN A 46 0.182 3.228 7.359 1.00 0.00 N ATOM 705 CA ASN A 46 -0.132 4.077 8.501 1.00 0.00 C ATOM 706 C ASN A 46 1.016 5.028 8.804 1.00 0.00 C ATOM 707 O ASN A 46 0.799 6.196 9.129 1.00 0.00 O ATOM 708 CB ASN A 46 -0.446 3.224 9.733 1.00 0.00 C ATOM 709 CG ASN A 46 -1.521 3.842 10.606 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.522 4.356 10.107 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.318 3.794 11.917 1.00 0.00 N ATOM 0 H ASN A 46 0.237 2.232 7.573 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.012 4.669 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.767 2.233 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.463 3.090 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.007 4.193 12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.473 3.358 12.287 1.00 0.00 H new ATOM 718 N PHE A 47 2.240 4.528 8.689 1.00 0.00 N ATOM 719 CA PHE A 47 3.417 5.342 8.944 1.00 0.00 C ATOM 720 C PHE A 47 3.532 6.452 7.906 1.00 0.00 C ATOM 721 O PHE A 47 3.910 7.582 8.224 1.00 0.00 O ATOM 722 CB PHE A 47 4.678 4.475 8.925 1.00 0.00 C ATOM 723 CG PHE A 47 5.942 5.255 9.150 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.509 5.989 8.121 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.561 5.256 10.390 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.670 6.710 8.324 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.722 5.976 10.599 1.00 0.00 C ATOM 728 CZ PHE A 47 8.277 6.704 9.564 1.00 0.00 C ATOM 0 H PHE A 47 2.441 3.565 8.421 1.00 0.00 H new ATOM 0 HA PHE A 47 3.315 5.794 9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.593 3.706 9.693 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.743 3.962 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.038 5.998 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.131 4.688 11.202 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.102 7.278 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.195 5.970 11.570 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.184 7.267 9.725 1.00 0.00 H new ATOM 738 N TYR A 48 3.199 6.122 6.663 1.00 0.00 N ATOM 739 CA TYR A 48 3.262 7.089 5.576 1.00 0.00 C ATOM 740 C TYR A 48 2.249 8.211 5.782 1.00 0.00 C ATOM 741 O TYR A 48 2.588 9.386 5.668 1.00 0.00 O ATOM 742 CB TYR A 48 3.027 6.399 4.231 1.00 0.00 C ATOM 743 CG TYR A 48 4.305 6.000 3.530 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.320 6.926 3.318 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.501 4.699 3.084 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.493 6.566 2.681 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.673 4.333 2.445 1.00 0.00 C ATOM 748 CZ TYR A 48 6.664 5.270 2.247 1.00 0.00 C ATOM 749 OH TYR A 48 7.832 4.909 1.615 1.00 0.00 O ATOM 0 H TYR A 48 2.883 5.193 6.384 1.00 0.00 H new ATOM 0 HA TYR A 48 4.259 7.529 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.415 5.511 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.459 7.066 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.190 7.943 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.727 3.962 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.272 7.298 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.810 3.318 2.103 1.00 0.00 H new ATOM 0 HH TYR A 48 7.660 4.151 1.018 1.00 0.00 H new ATOM 759 N ILE A 49 1.004 7.848 6.085 1.00 0.00 N ATOM 760 CA ILE A 49 -0.038 8.846 6.304 1.00 0.00 C ATOM 761 C ILE A 49 0.341 9.783 7.449 1.00 0.00 C ATOM 762 O ILE A 49 0.236 11.003 7.325 1.00 0.00 O ATOM 763 CB ILE A 49 -1.407 8.183 6.601 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.087 7.769 5.297 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.314 9.120 7.392 1.00 0.00 C ATOM 766 CD1 ILE A 49 -1.772 6.352 4.875 1.00 0.00 C ATOM 0 H ILE A 49 0.695 6.881 6.183 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.130 9.425 5.385 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.227 7.295 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.166 7.874 5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.781 8.452 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.267 8.627 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.838 9.373 8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.486 10.030 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.288 6.127 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.697 6.246 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.103 5.660 5.649 1.00 0.00 H new ATOM 778 N ASN A 50 0.772 9.204 8.563 1.00 0.00 N ATOM 779 CA ASN A 50 1.157 9.987 9.732 1.00 0.00 C ATOM 780 C ASN A 50 2.328 10.916 9.421 1.00 0.00 C ATOM 781 O ASN A 50 2.407 12.024 9.952 1.00 0.00 O ATOM 782 CB ASN A 50 1.519 9.059 10.894 1.00 0.00 C ATOM 783 CG ASN A 50 0.670 9.313 12.124 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.454 8.822 12.227 1.00 0.00 O ATOM 785 ND2 ASN A 50 1.203 10.085 13.062 1.00 0.00 N ATOM 0 H ASN A 50 0.864 8.195 8.682 1.00 0.00 H new ATOM 0 HA ASN A 50 0.304 10.604 10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.396 8.023 10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.571 9.193 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.677 10.293 13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.139 10.471 12.934 1.00 0.00 H new ATOM 792 N TYR A 51 3.243 10.459 8.573 1.00 0.00 N ATOM 793 CA TYR A 51 4.413 11.254 8.215 1.00 0.00 C ATOM 794 C TYR A 51 4.096 12.269 7.119 1.00 0.00 C ATOM 795 O TYR A 51 4.706 13.336 7.056 1.00 0.00 O ATOM 796 CB TYR A 51 5.552 10.343 7.757 1.00 0.00 C ATOM 797 CG TYR A 51 6.924 10.915 8.023 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.537 11.755 7.102 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.607 10.617 9.196 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.791 12.282 7.342 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.861 11.140 9.443 1.00 0.00 C ATOM 802 CZ TYR A 51 9.449 11.973 8.514 1.00 0.00 C ATOM 803 OH TYR A 51 10.698 12.497 8.757 1.00 0.00 O ATOM 0 H TYR A 51 3.198 9.545 8.122 1.00 0.00 H new ATOM 0 HA TYR A 51 4.718 11.803 9.106 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.463 9.381 8.263 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.447 10.152 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.025 12.000 6.183 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.150 9.966 9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.254 12.933 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.379 10.898 10.359 1.00 0.00 H new ATOM 0 HH TYR A 51 11.021 12.182 9.627 1.00 0.00 H new ATOM 813 N TYR A 52 3.154 11.927 6.247 1.00 0.00 N ATOM 814 CA TYR A 52 2.780 12.810 5.147 1.00 0.00 C ATOM 815 C TYR A 52 1.913 13.971 5.629 1.00 0.00 C ATOM 816 O TYR A 52 2.079 15.104 5.180 1.00 0.00 O ATOM 817 CB TYR A 52 2.052 12.021 4.056 1.00 0.00 C ATOM 818 CG TYR A 52 2.988 11.357 3.068 1.00 0.00 C ATOM 819 CD1 TYR A 52 4.083 12.040 2.552 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.778 10.049 2.653 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.942 11.437 1.653 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.631 9.438 1.754 1.00 0.00 C ATOM 823 CZ TYR A 52 4.712 10.137 1.257 1.00 0.00 C ATOM 824 OH TYR A 52 5.565 9.533 0.362 1.00 0.00 O ATOM 0 H TYR A 52 2.637 11.048 6.279 1.00 0.00 H new ATOM 0 HA TYR A 52 3.696 13.229 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.429 11.259 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.384 12.692 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.266 13.059 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.933 9.499 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.789 11.982 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.453 8.419 1.442 1.00 0.00 H new ATOM 0 HH TYR A 52 5.414 8.565 0.369 1.00 0.00 H new ATOM 834 N ARG A 53 0.986 13.686 6.539 1.00 0.00 N ATOM 835 CA ARG A 53 0.097 14.718 7.068 1.00 0.00 C ATOM 836 C ARG A 53 0.893 15.905 7.608 1.00 0.00 C ATOM 837 O ARG A 53 0.424 17.043 7.581 1.00 0.00 O ATOM 838 CB ARG A 53 -0.805 14.139 8.164 1.00 0.00 C ATOM 839 CG ARG A 53 -0.085 13.857 9.474 1.00 0.00 C ATOM 840 CD ARG A 53 -0.806 12.794 10.288 1.00 0.00 C ATOM 841 NE ARG A 53 -2.051 13.295 10.869 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.253 13.134 10.314 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.383 12.501 9.154 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.330 13.613 10.921 1.00 0.00 N ATOM 0 H ARG A 53 0.830 12.755 6.924 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.530 15.074 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.622 14.835 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.252 13.214 7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.934 13.530 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.013 14.776 10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.023 11.936 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.151 12.442 11.085 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.997 13.799 11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.559 12.133 8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.307 12.383 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.238 14.104 11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.250 13.491 10.498 1.00 0.00 H new ATOM 858 N GLN A 54 2.099 15.631 8.096 1.00 0.00 N ATOM 859 CA GLN A 54 2.958 16.676 8.643 1.00 0.00 C ATOM 860 C GLN A 54 3.689 17.437 7.535 1.00 0.00 C ATOM 861 O GLN A 54 4.237 18.514 7.774 1.00 0.00 O ATOM 862 CB GLN A 54 3.976 16.070 9.611 1.00 0.00 C ATOM 863 CG GLN A 54 3.432 15.861 11.015 1.00 0.00 C ATOM 864 CD GLN A 54 3.570 17.096 11.885 1.00 0.00 C ATOM 865 OE1 GLN A 54 2.631 17.880 12.023 1.00 0.00 O ATOM 866 NE2 GLN A 54 4.745 17.274 12.476 1.00 0.00 N ATOM 0 H GLN A 54 2.503 14.695 8.124 1.00 0.00 H new ATOM 0 HA GLN A 54 2.322 17.381 9.178 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.315 15.113 9.216 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.849 16.721 9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.381 15.579 10.955 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.958 15.030 11.484 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.495 16.598 12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.898 18.087 13.073 1.00 0.00 H new ATOM 875 N GLN A 55 3.701 16.874 6.328 1.00 0.00 N ATOM 876 CA GLN A 55 4.374 17.510 5.199 1.00 0.00 C ATOM 877 C GLN A 55 3.399 18.331 4.357 1.00 0.00 C ATOM 878 O GLN A 55 3.642 18.581 3.176 1.00 0.00 O ATOM 879 CB GLN A 55 5.051 16.453 4.324 1.00 0.00 C ATOM 880 CG GLN A 55 6.468 16.119 4.762 1.00 0.00 C ATOM 881 CD GLN A 55 7.510 16.963 4.054 1.00 0.00 C ATOM 882 OE1 GLN A 55 8.014 17.941 4.607 1.00 0.00 O ATOM 883 NE2 GLN A 55 7.839 16.588 2.823 1.00 0.00 N ATOM 0 H GLN A 55 3.255 15.984 6.108 1.00 0.00 H new ATOM 0 HA GLN A 55 5.128 18.186 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.451 15.543 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.072 16.806 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.556 16.266 5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.666 15.065 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.396 15.771 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.535 17.117 2.297 1.00 0.00 H new ATOM 892 N VAL A 56 2.297 18.749 4.971 1.00 0.00 N ATOM 893 CA VAL A 56 1.294 19.544 4.272 1.00 0.00 C ATOM 894 C VAL A 56 1.458 21.033 4.584 1.00 0.00 C ATOM 895 O VAL A 56 2.084 21.761 3.817 1.00 0.00 O ATOM 896 CB VAL A 56 -0.138 19.076 4.611 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.149 19.729 3.681 1.00 0.00 C ATOM 898 CG2 VAL A 56 -0.235 17.560 4.523 1.00 0.00 C ATOM 0 H VAL A 56 2.076 18.552 5.947 1.00 0.00 H new ATOM 0 HA VAL A 56 1.451 19.396 3.203 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.367 19.379 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.152 19.387 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.097 20.812 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.924 19.457 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.250 17.246 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.014 17.238 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.462 17.109 5.229 1.00 0.00 H new ATOM 908 N THR A 57 0.885 21.475 5.707 1.00 0.00 N ATOM 909 CA THR A 57 0.948 22.878 6.142 1.00 0.00 C ATOM 910 C THR A 57 -0.197 23.703 5.551 1.00 0.00 C ATOM 911 O THR A 57 -0.267 24.913 5.760 1.00 0.00 O ATOM 912 CB THR A 57 2.294 23.534 5.801 1.00 0.00 C ATOM 913 OG1 THR A 57 2.306 24.016 4.469 1.00 0.00 O ATOM 914 CG2 THR A 57 3.482 22.609 5.971 1.00 0.00 C ATOM 0 H THR A 57 0.363 20.872 6.343 1.00 0.00 H new ATOM 0 HA THR A 57 0.846 22.863 7.227 1.00 0.00 H new ATOM 0 HB THR A 57 2.393 24.353 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.914 23.343 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.397 23.141 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.537 22.274 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.367 21.745 5.316 1.00 0.00 H new ATOM 922 N GLY A 58 -1.105 23.043 4.835 1.00 0.00 N ATOM 923 CA GLY A 58 -2.242 23.739 4.259 1.00 0.00 C ATOM 924 C GLY A 58 -3.387 23.817 5.247 1.00 0.00 C ATOM 925 O GLY A 58 -3.266 23.320 6.367 1.00 0.00 O ATOM 0 H GLY A 58 -1.073 22.041 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.945 24.744 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.570 23.223 3.357 1.00 0.00 H new ATOM 929 N GLU A 59 -4.503 24.427 4.857 1.00 0.00 N ATOM 930 CA GLU A 59 -5.649 24.537 5.752 1.00 0.00 C ATOM 931 C GLU A 59 -6.262 23.165 6.015 1.00 0.00 C ATOM 932 O GLU A 59 -6.007 22.213 5.277 1.00 0.00 O ATOM 933 CB GLU A 59 -6.705 25.472 5.155 1.00 0.00 C ATOM 934 CG GLU A 59 -6.938 25.265 3.667 1.00 0.00 C ATOM 935 CD GLU A 59 -6.310 26.357 2.822 1.00 0.00 C ATOM 936 OE1 GLU A 59 -5.091 26.590 2.964 1.00 0.00 O ATOM 937 OE2 GLU A 59 -7.037 26.979 2.019 1.00 0.00 O ATOM 0 H GLU A 59 -4.637 24.848 3.938 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.301 24.952 6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.647 25.326 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.400 26.505 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.529 24.300 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.010 25.231 3.472 1.00 0.00 H new ATOM 944 N PRO A 60 -7.081 23.041 7.073 1.00 0.00 N ATOM 945 CA PRO A 60 -7.728 21.777 7.430 1.00 0.00 C ATOM 946 C PRO A 60 -8.370 21.088 6.235 1.00 0.00 C ATOM 947 O PRO A 60 -8.393 19.860 6.167 1.00 0.00 O ATOM 948 CB PRO A 60 -8.795 22.182 8.463 1.00 0.00 C ATOM 949 CG PRO A 60 -8.805 23.678 8.473 1.00 0.00 C ATOM 950 CD PRO A 60 -7.446 24.110 8.009 1.00 0.00 C ATOM 0 HA PRO A 60 -7.007 21.055 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.773 21.786 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.554 21.786 9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.582 24.066 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.014 24.059 9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.473 25.085 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.739 24.186 8.835 1.00 0.00 H new ATOM 958 N GLN A 61 -8.865 21.865 5.277 1.00 0.00 N ATOM 959 CA GLN A 61 -9.467 21.290 4.084 1.00 0.00 C ATOM 960 C GLN A 61 -8.376 20.726 3.186 1.00 0.00 C ATOM 961 O GLN A 61 -8.461 19.597 2.713 1.00 0.00 O ATOM 962 CB GLN A 61 -10.280 22.340 3.323 1.00 0.00 C ATOM 963 CG GLN A 61 -11.048 23.295 4.225 1.00 0.00 C ATOM 964 CD GLN A 61 -12.549 23.209 4.022 1.00 0.00 C ATOM 965 OE1 GLN A 61 -13.310 23.079 4.980 1.00 0.00 O ATOM 966 NE2 GLN A 61 -12.981 23.283 2.769 1.00 0.00 N ATOM 0 H GLN A 61 -8.861 22.885 5.304 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.143 20.489 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.607 22.917 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.984 21.833 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.813 23.074 5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.717 24.316 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.314 23.391 2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.980 23.232 2.570 1.00 0.00 H new ATOM 975 N GLU A 62 -7.346 21.533 2.969 1.00 0.00 N ATOM 976 CA GLU A 62 -6.216 21.134 2.140 1.00 0.00 C ATOM 977 C GLU A 62 -5.467 19.972 2.783 1.00 0.00 C ATOM 978 O GLU A 62 -4.973 19.077 2.096 1.00 0.00 O ATOM 979 CB GLU A 62 -5.266 22.316 1.929 1.00 0.00 C ATOM 980 CG GLU A 62 -4.386 22.176 0.698 1.00 0.00 C ATOM 981 CD GLU A 62 -4.484 23.372 -0.229 1.00 0.00 C ATOM 982 OE1 GLU A 62 -5.442 23.424 -1.031 1.00 0.00 O ATOM 983 OE2 GLU A 62 -3.606 24.256 -0.154 1.00 0.00 O ATOM 0 H GLU A 62 -7.270 22.473 3.358 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.598 20.812 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.851 23.232 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.632 22.423 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.350 22.047 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.670 21.275 0.154 1.00 0.00 H new ATOM 990 N ARG A 63 -5.396 19.992 4.110 1.00 0.00 N ATOM 991 CA ARG A 63 -4.715 18.943 4.859 1.00 0.00 C ATOM 992 C ARG A 63 -5.508 17.641 4.808 1.00 0.00 C ATOM 993 O ARG A 63 -4.963 16.580 4.496 1.00 0.00 O ATOM 994 CB ARG A 63 -4.516 19.378 6.314 1.00 0.00 C ATOM 995 CG ARG A 63 -3.068 19.337 6.771 1.00 0.00 C ATOM 996 CD ARG A 63 -2.938 19.710 8.239 1.00 0.00 C ATOM 997 NE ARG A 63 -2.718 21.144 8.422 1.00 0.00 N ATOM 998 CZ ARG A 63 -2.935 21.787 9.567 1.00 0.00 C ATOM 999 NH1 ARG A 63 -3.378 21.131 10.632 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -2.708 23.092 9.647 1.00 0.00 N ATOM 0 H ARG A 63 -5.803 20.726 4.690 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.741 18.772 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.898 20.392 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.110 18.733 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.663 18.338 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.475 20.023 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.841 19.411 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.110 19.157 8.682 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.378 21.683 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.554 20.128 10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.542 21.630 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.368 23.601 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.874 23.586 10.524 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.799 17.732 5.110 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.667 16.559 5.095 1.00 0.00 C ATOM 1016 C ASP A 64 -7.873 16.052 3.668 1.00 0.00 C ATOM 1017 O ASP A 64 -7.966 14.846 3.433 1.00 0.00 O ATOM 1018 CB ASP A 64 -9.017 16.882 5.757 1.00 0.00 C ATOM 1019 CG ASP A 64 -10.125 17.182 4.759 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -10.559 16.247 4.054 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.558 18.351 4.687 1.00 0.00 O ATOM 0 H ASP A 64 -7.266 18.602 5.367 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.182 15.768 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.318 16.040 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.893 17.739 6.419 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.950 16.982 2.722 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.156 16.631 1.322 1.00 0.00 C ATOM 1028 C LYS A 65 -6.976 15.845 0.775 1.00 0.00 C ATOM 1029 O LYS A 65 -7.158 14.810 0.132 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.386 17.887 0.478 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.899 17.595 -0.923 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.786 17.110 -1.841 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.700 17.948 -3.106 1.00 0.00 C ATOM 1034 NZ LYS A 65 -6.656 19.005 -3.003 1.00 0.00 N ATOM 0 H LYS A 65 -7.873 17.984 2.899 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.044 16.001 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.100 18.532 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.450 18.441 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.684 16.840 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.349 18.496 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.834 17.150 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.960 16.067 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.479 17.301 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.667 18.411 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.630 19.554 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.880 19.638 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.729 18.562 -2.843 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.767 16.328 1.033 1.00 0.00 N ATOM 1049 CA ALA A 66 -4.579 15.635 0.555 1.00 0.00 C ATOM 1050 C ALA A 66 -4.491 14.263 1.201 1.00 0.00 C ATOM 1051 O ALA A 66 -4.369 13.248 0.515 1.00 0.00 O ATOM 1052 CB ALA A 66 -3.329 16.450 0.856 1.00 0.00 C ATOM 0 H ALA A 66 -5.585 17.182 1.561 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.651 15.512 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.451 15.917 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.398 17.418 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.242 16.599 1.932 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.560 14.242 2.525 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.495 12.992 3.273 1.00 0.00 C ATOM 1060 C LEU A 67 -5.538 12.004 2.761 1.00 0.00 C ATOM 1061 O LEU A 67 -5.320 10.792 2.779 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.703 13.253 4.766 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.415 13.408 5.578 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.548 12.164 5.443 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.651 14.648 5.133 1.00 0.00 C ATOM 0 H LEU A 67 -4.661 15.076 3.104 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.506 12.557 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.300 14.158 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.284 12.432 5.186 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.680 13.528 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.636 12.291 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.096 11.297 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.290 12.012 4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.738 14.743 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.395 14.558 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.272 15.531 5.282 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.667 12.531 2.296 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.735 11.693 1.770 1.00 0.00 C ATOM 1079 C GLN A 68 -7.338 11.105 0.422 1.00 0.00 C ATOM 1080 O GLN A 68 -7.581 9.931 0.148 1.00 0.00 O ATOM 1081 CB GLN A 68 -9.028 12.502 1.636 1.00 0.00 C ATOM 1082 CG GLN A 68 -10.184 11.717 1.038 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.870 10.825 2.055 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.153 11.247 3.176 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.139 9.585 1.667 1.00 0.00 N ATOM 0 H GLN A 68 -6.864 13.532 2.273 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.906 10.873 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.320 12.868 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.835 13.377 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.912 12.412 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.816 11.106 0.214 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.886 9.278 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.599 8.938 2.308 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.714 11.930 -0.410 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.269 11.490 -1.725 1.00 0.00 C ATOM 1096 C GLU A 69 -5.117 10.506 -1.589 1.00 0.00 C ATOM 1097 O GLU A 69 -5.020 9.535 -2.338 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.838 12.687 -2.574 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.098 12.505 -4.060 1.00 0.00 C ATOM 1100 CD GLU A 69 -5.374 13.532 -4.910 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -4.127 13.495 -4.950 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -6.056 14.372 -5.534 1.00 0.00 O ATOM 0 H GLU A 69 -6.505 12.906 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.102 10.993 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.365 13.576 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.774 12.867 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.785 11.505 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.169 12.573 -4.248 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.250 10.762 -0.615 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.108 9.894 -0.367 1.00 0.00 C ATOM 1111 C LEU A 70 -3.581 8.534 0.131 1.00 0.00 C ATOM 1112 O LEU A 70 -3.111 7.495 -0.332 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.165 10.528 0.657 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.775 9.888 0.738 1.00 0.00 C ATOM 1115 CD1 LEU A 70 0.269 10.791 0.098 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.407 9.587 2.184 1.00 0.00 C ATOM 0 H LEU A 70 -4.317 11.562 0.014 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.566 9.760 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.049 11.585 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.631 10.474 1.641 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.799 8.948 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.249 10.319 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.016 10.954 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.291 11.748 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.583 9.133 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.403 10.513 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.137 8.899 2.610 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.520 8.549 1.073 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.060 7.315 1.626 1.00 0.00 C ATOM 1130 C ARG A 71 -5.720 6.484 0.533 1.00 0.00 C ATOM 1131 O ARG A 71 -5.541 5.268 0.469 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.069 7.624 2.732 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.125 6.560 3.816 1.00 0.00 C ATOM 1134 CD ARG A 71 -7.305 6.776 4.751 1.00 0.00 C ATOM 1135 NE ARG A 71 -8.049 5.540 4.981 1.00 0.00 N ATOM 1136 CZ ARG A 71 -9.299 5.502 5.442 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -9.943 6.626 5.727 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -9.903 4.336 5.618 1.00 0.00 N ATOM 0 H ARG A 71 -4.920 9.400 1.467 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.237 6.741 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.816 8.582 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.059 7.733 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.200 5.575 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.198 6.575 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.947 7.167 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.971 7.528 4.328 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.585 4.655 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.482 7.526 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.900 6.590 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.411 3.469 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.860 4.305 5.971 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.481 7.151 -0.331 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.162 6.473 -1.425 1.00 0.00 C ATOM 1154 C GLN A 72 -6.152 5.837 -2.371 1.00 0.00 C ATOM 1155 O GLN A 72 -6.266 4.660 -2.716 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.052 7.453 -2.192 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.813 6.813 -3.341 1.00 0.00 C ATOM 1158 CD GLN A 72 -10.167 6.278 -2.916 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.405 5.070 -2.938 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -11.063 7.177 -2.528 1.00 0.00 N ATOM 0 H GLN A 72 -6.640 8.158 -0.293 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.788 5.688 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.765 7.901 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.435 8.262 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.949 7.547 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.219 5.999 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.823 8.168 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.992 6.877 -2.232 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.159 6.619 -2.782 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.126 6.125 -3.681 1.00 0.00 C ATOM 1171 C GLU A 73 -3.383 4.956 -3.046 1.00 0.00 C ATOM 1172 O GLU A 73 -3.126 3.945 -3.698 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.148 7.246 -4.038 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.512 7.983 -5.317 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.184 9.461 -5.255 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -3.833 10.180 -4.465 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -2.278 9.900 -5.995 1.00 0.00 O ATOM 0 H GLU A 73 -5.049 7.595 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.603 5.776 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.109 7.960 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.148 6.825 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.980 7.532 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.577 7.859 -5.512 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.050 5.097 -1.766 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.349 4.043 -1.041 1.00 0.00 C ATOM 1186 C LEU A 74 -3.173 2.771 -1.030 1.00 0.00 C ATOM 1187 O LEU A 74 -2.647 1.693 -1.259 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.031 4.489 0.386 1.00 0.00 C ATOM 1189 CG LEU A 74 -0.844 5.446 0.510 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.083 6.456 1.623 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.441 4.670 0.757 1.00 0.00 C ATOM 0 H LEU A 74 -3.254 5.928 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.408 3.841 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.914 4.971 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.832 3.605 0.992 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.742 5.991 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.227 7.127 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.980 7.034 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.213 5.931 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.276 5.366 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.349 4.098 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.620 3.989 -0.075 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.470 2.894 -0.780 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.338 1.726 -0.778 1.00 0.00 C ATOM 1205 C ASN A 75 -5.386 1.134 -2.183 1.00 0.00 C ATOM 1206 O ASN A 75 -5.440 -0.081 -2.362 1.00 0.00 O ATOM 1207 CB ASN A 75 -6.746 2.103 -0.314 1.00 0.00 C ATOM 1208 CG ASN A 75 -6.844 2.224 1.194 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -6.667 1.245 1.920 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.131 3.428 1.675 1.00 0.00 N ATOM 0 H ASN A 75 -4.938 3.778 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.940 0.985 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.035 3.049 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.454 1.351 -0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.213 3.569 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.270 4.212 1.038 1.00 0.00 H new ATOM 1217 N THR A 76 -5.362 2.024 -3.172 1.00 0.00 N ATOM 1218 CA THR A 76 -5.401 1.626 -4.576 1.00 0.00 C ATOM 1219 C THR A 76 -4.120 0.904 -4.985 1.00 0.00 C ATOM 1220 O THR A 76 -4.164 -0.069 -5.734 1.00 0.00 O ATOM 1221 CB THR A 76 -5.622 2.846 -5.471 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.682 3.645 -4.979 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.948 2.483 -6.904 1.00 0.00 C ATOM 0 H THR A 76 -5.315 3.032 -3.025 1.00 0.00 H new ATOM 0 HA THR A 76 -6.235 0.935 -4.701 1.00 0.00 H new ATOM 0 HB THR A 76 -4.678 3.391 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.330 4.298 -4.339 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.093 3.393 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.126 1.907 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.860 1.887 -6.930 1.00 0.00 H new ATOM 1231 N LEU A 77 -2.982 1.380 -4.492 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.696 0.763 -4.810 1.00 0.00 C ATOM 1233 C LEU A 77 -1.490 -0.482 -3.954 1.00 0.00 C ATOM 1234 O LEU A 77 -0.946 -1.489 -4.408 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.553 1.755 -4.577 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.559 2.985 -5.489 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.695 3.816 -5.273 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.677 2.567 -6.947 1.00 0.00 C ATOM 0 H LEU A 77 -2.922 2.188 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.698 0.477 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.591 2.091 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.394 1.231 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.425 3.597 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.673 4.686 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.738 4.146 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.574 3.213 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.680 3.454 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.169 1.933 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.605 2.014 -7.093 1.00 0.00 H new ATOM 1250 N ALA A 78 -1.943 -0.393 -2.711 1.00 0.00 N ATOM 1251 CA ALA A 78 -1.834 -1.500 -1.763 1.00 0.00 C ATOM 1252 C ALA A 78 -2.869 -2.585 -2.059 1.00 0.00 C ATOM 1253 O ALA A 78 -2.678 -3.748 -1.703 1.00 0.00 O ATOM 1254 CB ALA A 78 -1.991 -0.995 -0.337 1.00 0.00 C ATOM 0 H ALA A 78 -2.393 0.440 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.843 -1.940 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.907 -1.832 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.210 -0.265 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.968 -0.525 -0.223 1.00 0.00 H new ATOM 1260 N ASN A 79 -3.982 -2.194 -2.676 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.055 -3.142 -2.971 1.00 0.00 C ATOM 1262 C ASN A 79 -4.551 -4.289 -3.844 1.00 0.00 C ATOM 1263 O ASN A 79 -4.711 -5.456 -3.486 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.219 -2.431 -3.669 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.421 -2.260 -2.759 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -7.966 -3.236 -2.243 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.841 -1.017 -2.559 1.00 0.00 N ATOM 0 H ASN A 79 -4.164 -1.237 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.404 -3.556 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.888 -1.452 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.512 -3.000 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.646 -0.841 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.359 -0.238 -3.007 1.00 0.00 H new ATOM 1274 N PRO A 80 -3.928 -3.992 -4.996 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.405 -5.034 -5.882 1.00 0.00 C ATOM 1276 C PRO A 80 -2.292 -5.840 -5.220 1.00 0.00 C ATOM 1277 O PRO A 80 -2.130 -7.027 -5.492 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.864 -4.254 -7.085 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.630 -2.874 -6.575 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.674 -2.642 -5.520 1.00 0.00 C ATOM 0 HA PRO A 80 -4.170 -5.763 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.942 -4.698 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.577 -4.255 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.627 -2.776 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.716 -2.141 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.317 -1.968 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.576 -2.196 -5.938 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.532 -5.189 -4.342 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.438 -5.847 -3.636 1.00 0.00 C ATOM 1290 C PHE A 81 -0.965 -6.774 -2.548 1.00 0.00 C ATOM 1291 O PHE A 81 -0.555 -7.929 -2.440 1.00 0.00 O ATOM 1292 CB PHE A 81 0.487 -4.806 -3.002 1.00 0.00 C ATOM 1293 CG PHE A 81 1.538 -5.405 -2.108 1.00 0.00 C ATOM 1294 CD1 PHE A 81 2.217 -6.550 -2.488 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.843 -4.824 -0.888 1.00 0.00 C ATOM 1296 CE1 PHE A 81 3.183 -7.103 -1.669 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.808 -5.372 -0.065 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.480 -6.514 -0.457 1.00 0.00 C ATOM 0 H PHE A 81 -1.655 -4.205 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 81 0.117 -6.438 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.975 -4.236 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.112 -4.102 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.989 -7.016 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.320 -3.932 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.706 -7.996 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.037 -4.909 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.236 -6.944 0.183 1.00 0.00 H new ATOM 1308 N LEU A 82 -1.860 -6.239 -1.730 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.436 -6.991 -0.627 1.00 0.00 C ATOM 1310 C LEU A 82 -3.429 -8.036 -1.119 1.00 0.00 C ATOM 1311 O LEU A 82 -3.524 -9.123 -0.548 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.115 -6.039 0.356 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.581 -6.685 1.660 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.537 -5.676 2.797 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -4.982 -7.252 1.496 1.00 0.00 C ATOM 0 H LEU A 82 -2.204 -5.282 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.626 -7.516 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.422 -5.232 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.976 -5.586 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.906 -7.505 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.872 -6.152 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.516 -5.316 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.191 -4.836 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.301 -7.709 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.670 -6.450 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.980 -8.004 0.707 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.161 -7.717 -2.179 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.131 -8.651 -2.729 1.00 0.00 C ATOM 1329 C ALA A 83 -4.435 -9.738 -3.534 1.00 0.00 C ATOM 1330 O ALA A 83 -4.828 -10.905 -3.494 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.152 -7.919 -3.588 1.00 0.00 C ATOM 0 H ALA A 83 -4.101 -6.825 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.657 -9.124 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.869 -8.635 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.677 -7.182 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.642 -7.415 -4.409 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.390 -9.354 -4.255 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.636 -10.307 -5.053 1.00 0.00 C ATOM 1339 C LYS A 84 -1.838 -11.228 -4.144 1.00 0.00 C ATOM 1340 O LYS A 84 -1.669 -12.410 -4.435 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.696 -9.585 -6.021 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.877 -10.525 -6.891 1.00 0.00 C ATOM 1343 CD LYS A 84 -1.688 -11.043 -8.070 1.00 0.00 C ATOM 1344 CE LYS A 84 -2.117 -12.487 -7.860 1.00 0.00 C ATOM 1345 NZ LYS A 84 -3.147 -12.911 -8.849 1.00 0.00 N ATOM 0 H LYS A 84 -3.048 -8.394 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.341 -10.899 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.284 -8.929 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.019 -8.949 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.008 -10.005 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.527 -11.365 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.569 -10.417 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.096 -10.967 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.247 -13.139 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.512 -12.605 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.412 -13.901 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.987 -12.305 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.762 -12.823 -9.811 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.355 -10.678 -3.031 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.580 -11.457 -2.075 1.00 0.00 C ATOM 1361 C TYR A 85 -1.476 -12.410 -1.300 1.00 0.00 C ATOM 1362 O TYR A 85 -1.173 -13.596 -1.175 1.00 0.00 O ATOM 1363 CB TYR A 85 0.168 -10.540 -1.108 1.00 0.00 C ATOM 1364 CG TYR A 85 1.277 -11.242 -0.357 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.460 -11.592 -0.995 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.138 -11.562 0.988 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.474 -12.239 -0.314 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.149 -12.208 1.676 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.313 -12.544 1.020 1.00 0.00 C ATOM 1370 OH TYR A 85 4.321 -13.189 1.701 1.00 0.00 O ATOM 0 H TYR A 85 -1.487 -9.700 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 85 0.149 -12.043 -2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.589 -9.702 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.540 -10.124 -0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.590 -11.355 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.226 -11.302 1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.388 -12.504 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.027 -12.448 2.722 1.00 0.00 H new ATOM 0 HH TYR A 85 4.049 -13.329 2.632 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.587 -11.891 -0.787 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.524 -12.715 -0.033 1.00 0.00 C ATOM 1382 C ARG A 86 -4.038 -13.847 -0.910 1.00 0.00 C ATOM 1383 O ARG A 86 -4.142 -14.997 -0.481 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.687 -11.869 0.496 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.689 -11.463 -0.572 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.773 -10.559 -0.004 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.533 -11.214 1.056 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.724 -10.797 1.481 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -9.291 -9.726 0.938 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.348 -11.452 2.449 1.00 0.00 N ATOM 0 H ARG A 86 -2.859 -10.912 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.004 -13.143 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.207 -12.429 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.286 -10.970 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.171 -10.948 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.145 -12.355 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.318 -9.649 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.451 -10.259 -0.804 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.128 -12.040 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.814 -9.219 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.203 -9.410 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.916 -12.275 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.260 -11.133 2.775 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.324 -13.509 -2.152 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.789 -14.493 -3.107 1.00 0.00 C ATOM 1406 C ASP A 87 -3.640 -15.426 -3.465 1.00 0.00 C ATOM 1407 O ASP A 87 -3.846 -16.604 -3.754 1.00 0.00 O ATOM 1408 CB ASP A 87 -5.328 -13.811 -4.366 1.00 0.00 C ATOM 1409 CG ASP A 87 -6.790 -13.428 -4.234 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.653 -14.315 -4.407 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -7.071 -12.243 -3.961 1.00 0.00 O ATOM 0 H ASP A 87 -4.242 -12.562 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.600 -15.068 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.738 -12.918 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.205 -14.479 -5.219 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.426 -14.881 -3.448 1.00 0.00 N ATOM 1417 CA PHE A 88 -1.239 -15.653 -3.782 1.00 0.00 C ATOM 1418 C PHE A 88 -0.953 -16.744 -2.750 1.00 0.00 C ATOM 1419 O PHE A 88 -0.802 -17.911 -3.114 1.00 0.00 O ATOM 1420 CB PHE A 88 -0.037 -14.711 -3.887 1.00 0.00 C ATOM 1421 CG PHE A 88 1.237 -15.386 -4.295 1.00 0.00 C ATOM 1422 CD1 PHE A 88 1.562 -15.521 -5.634 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.115 -15.877 -3.342 1.00 0.00 C ATOM 1424 CE1 PHE A 88 2.737 -16.135 -6.015 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.291 -16.491 -3.719 1.00 0.00 C ATOM 1426 CZ PHE A 88 3.601 -16.620 -5.056 1.00 0.00 C ATOM 0 H PHE A 88 -2.242 -13.907 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.418 -16.147 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.266 -13.926 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.115 -14.225 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.888 -15.142 -6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.876 -15.778 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.980 -16.236 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.968 -16.870 -2.968 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.521 -17.101 -5.353 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.888 -16.386 -1.465 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.631 -17.393 -0.434 1.00 0.00 C ATOM 1438 C LEU A 89 -1.869 -18.248 -0.163 1.00 0.00 C ATOM 1439 O LEU A 89 -1.759 -19.367 0.337 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.065 -16.773 0.855 1.00 0.00 C ATOM 1441 CG LEU A 89 -1.071 -16.151 1.822 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -1.942 -15.149 1.102 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -1.915 -17.222 2.500 1.00 0.00 C ATOM 0 H LEU A 89 -1.006 -15.433 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 89 0.141 -18.057 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.486 -17.546 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.655 -16.005 0.574 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.517 -15.627 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.654 -14.715 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.318 -14.360 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.484 -15.649 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.622 -16.750 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.462 -17.787 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.266 -17.897 3.059 1.00 0.00 H new ATOM 1455 N LYS A 90 -3.049 -17.719 -0.495 1.00 0.00 N ATOM 1456 CA LYS A 90 -4.298 -18.447 -0.281 1.00 0.00 C ATOM 1457 C LYS A 90 -4.651 -19.312 -1.491 1.00 0.00 C ATOM 1458 O LYS A 90 -5.499 -20.199 -1.404 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.440 -17.470 0.011 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.284 -16.722 1.327 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.348 -17.665 2.518 1.00 0.00 C ATOM 1462 CE LYS A 90 -5.194 -16.916 3.834 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.379 -17.091 4.716 1.00 0.00 N ATOM 0 H LYS A 90 -3.164 -16.795 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.158 -19.103 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.505 -16.747 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.381 -18.019 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.332 -16.191 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.069 -15.971 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.299 -18.197 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.562 -18.415 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.302 -17.270 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.046 -15.855 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.233 -16.565 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.227 -16.730 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.506 -18.101 4.930 1.00 0.00 H new ATOM 1477 N SER A 91 -3.990 -19.053 -2.617 1.00 0.00 N ATOM 1478 CA SER A 91 -4.234 -19.816 -3.836 1.00 0.00 C ATOM 1479 C SER A 91 -3.181 -20.904 -4.020 1.00 0.00 C ATOM 1480 O SER A 91 -3.509 -22.073 -4.223 1.00 0.00 O ATOM 1481 CB SER A 91 -4.245 -18.893 -5.055 1.00 0.00 C ATOM 1482 OG SER A 91 -4.575 -19.608 -6.233 1.00 0.00 O ATOM 0 H SER A 91 -3.284 -18.323 -2.709 1.00 0.00 H new ATOM 0 HA SER A 91 -5.211 -20.291 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.965 -18.089 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.267 -18.427 -5.171 1.00 0.00 H new ATOM 0 HG SER A 91 -4.577 -18.995 -6.998 1.00 0.00 H new