USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 570 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 HIS :FLIP no HE2:sc= -8.81! C(o=-9.4!,f=-8.8!) USER MOD Set 1.2: A 63 THR OG1 : rot 150:sc= 0.0298 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -3.07! C(o=-3.1!,f=-9.1!) USER MOD Single : A 8 TYR OH : rot -25:sc= -7.53! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 0:sc= -0.517! USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.0367 (180deg=-0.371) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.56! C(o=-3.6!,f=-4!) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.772 F(o=-2.4!,f=-0.77) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -8.58! C(o=-8.6!,f=-12!) USER MOD Single : A 62 THR OG1 : rot -125:sc= -1.93! USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 49:sc= -0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 4.060 -19.862 -6.916 1.00 0.00 N ATOM 2 CA GLU A 4 4.108 -19.657 -8.391 1.00 0.00 C ATOM 3 C GLU A 4 4.562 -18.227 -8.695 1.00 0.00 C ATOM 4 O GLU A 4 3.762 -17.368 -9.011 1.00 0.00 O ATOM 5 CB GLU A 4 2.716 -19.886 -8.983 1.00 0.00 C ATOM 6 CG GLU A 4 1.716 -18.939 -8.317 1.00 0.00 C ATOM 7 CD GLU A 4 0.823 -19.731 -7.360 1.00 0.00 C ATOM 8 OE1 GLU A 4 -0.174 -20.264 -7.817 1.00 0.00 O ATOM 9 OE2 GLU A 4 1.152 -19.790 -6.186 1.00 0.00 O ATOM 0 HA GLU A 4 4.812 -20.363 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.734 -19.714 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.410 -20.921 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.246 -18.157 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.107 -18.445 -9.074 1.00 0.00 H new ATOM 18 N GLY A 5 5.837 -17.962 -8.603 1.00 0.00 N ATOM 19 CA GLY A 5 6.332 -16.586 -8.889 1.00 0.00 C ATOM 20 C GLY A 5 7.133 -16.064 -7.692 1.00 0.00 C ATOM 21 O GLY A 5 7.270 -16.730 -6.684 1.00 0.00 O ATOM 0 H GLY A 5 6.556 -18.638 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.957 -16.593 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.492 -15.922 -9.093 1.00 0.00 H new ATOM 25 N TYR A 6 7.661 -14.875 -7.800 1.00 0.00 N ATOM 26 CA TYR A 6 8.455 -14.296 -6.678 1.00 0.00 C ATOM 27 C TYR A 6 7.494 -13.746 -5.624 1.00 0.00 C ATOM 28 O TYR A 6 6.686 -12.890 -5.905 1.00 0.00 O ATOM 29 CB TYR A 6 9.327 -13.160 -7.216 1.00 0.00 C ATOM 30 CG TYR A 6 10.331 -13.729 -8.220 1.00 0.00 C ATOM 31 CD1 TYR A 6 9.964 -13.949 -9.533 1.00 0.00 C ATOM 32 CD2 TYR A 6 11.616 -14.035 -7.826 1.00 0.00 C ATOM 33 CE1 TYR A 6 10.870 -14.467 -10.436 1.00 0.00 C ATOM 34 CE2 TYR A 6 12.522 -14.553 -8.728 1.00 0.00 C ATOM 35 CZ TYR A 6 12.156 -14.773 -10.040 1.00 0.00 C ATOM 36 OH TYR A 6 13.063 -15.289 -10.943 1.00 0.00 O ATOM 0 H TYR A 6 7.576 -14.276 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 6 9.089 -15.063 -6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.705 -12.403 -7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.852 -12.669 -6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.960 -13.714 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 6 11.916 -13.868 -6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.570 -14.634 -11.460 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.525 -14.788 -8.405 1.00 0.00 H new ATOM 0 HH TYR A 6 13.920 -15.444 -10.493 1.00 0.00 H new ATOM 46 N GLN A 7 7.567 -14.226 -4.414 1.00 0.00 N ATOM 47 CA GLN A 7 6.643 -13.712 -3.361 1.00 0.00 C ATOM 48 C GLN A 7 7.442 -13.072 -2.226 1.00 0.00 C ATOM 49 O GLN A 7 8.192 -13.735 -1.538 1.00 0.00 O ATOM 50 CB GLN A 7 5.817 -14.874 -2.800 1.00 0.00 C ATOM 51 CG GLN A 7 4.373 -14.764 -3.297 1.00 0.00 C ATOM 52 CD GLN A 7 3.792 -16.168 -3.487 1.00 0.00 C ATOM 53 OE1 GLN A 7 3.222 -16.466 -4.519 1.00 0.00 O ATOM 54 NE2 GLN A 7 3.914 -17.047 -2.531 1.00 0.00 N ATOM 0 H GLN A 7 8.221 -14.947 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 7 5.984 -12.964 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.249 -15.825 -3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.840 -14.857 -1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.772 -14.204 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.342 -14.215 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.392 -16.796 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.531 -17.985 -2.649 1.00 0.00 H new ATOM 63 N TYR A 8 7.293 -11.788 -2.017 1.00 0.00 N ATOM 64 CA TYR A 8 8.059 -11.136 -0.917 1.00 0.00 C ATOM 65 C TYR A 8 7.128 -10.824 0.250 1.00 0.00 C ATOM 66 O TYR A 8 5.949 -11.113 0.223 1.00 0.00 O ATOM 67 CB TYR A 8 8.683 -9.806 -1.363 1.00 0.00 C ATOM 68 CG TYR A 8 8.487 -9.538 -2.855 1.00 0.00 C ATOM 69 CD1 TYR A 8 8.780 -10.500 -3.802 1.00 0.00 C ATOM 70 CD2 TYR A 8 8.118 -8.276 -3.278 1.00 0.00 C ATOM 71 CE1 TYR A 8 8.721 -10.198 -5.143 1.00 0.00 C ATOM 72 CE2 TYR A 8 8.059 -7.977 -4.620 1.00 0.00 C ATOM 73 CZ TYR A 8 8.362 -8.934 -5.563 1.00 0.00 C ATOM 74 OH TYR A 8 8.338 -8.621 -6.902 1.00 0.00 O ATOM 0 H TYR A 8 6.682 -11.172 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 8 8.847 -11.831 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.241 -8.991 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.749 -9.814 -1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.057 -11.495 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.874 -7.517 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.958 -10.957 -5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.773 -6.985 -4.936 1.00 0.00 H new ATOM 0 HH TYR A 8 8.951 -9.212 -7.387 1.00 0.00 H new ATOM 84 N ARG A 9 7.667 -10.230 1.278 1.00 0.00 N ATOM 85 CA ARG A 9 6.846 -9.879 2.464 1.00 0.00 C ATOM 86 C ARG A 9 6.949 -8.371 2.671 1.00 0.00 C ATOM 87 O ARG A 9 8.024 -7.806 2.644 1.00 0.00 O ATOM 88 CB ARG A 9 7.374 -10.606 3.702 1.00 0.00 C ATOM 89 CG ARG A 9 6.195 -11.177 4.495 1.00 0.00 C ATOM 90 CD ARG A 9 6.234 -12.704 4.431 1.00 0.00 C ATOM 91 NE ARG A 9 6.397 -13.256 5.805 1.00 0.00 N ATOM 92 CZ ARG A 9 5.428 -13.152 6.674 1.00 0.00 C ATOM 93 NH1 ARG A 9 4.316 -12.548 6.350 1.00 0.00 N ATOM 94 NH2 ARG A 9 5.572 -13.651 7.872 1.00 0.00 N ATOM 0 H ARG A 9 8.651 -9.971 1.345 1.00 0.00 H new ATOM 0 HA ARG A 9 5.809 -10.176 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.050 -11.408 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.947 -9.919 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.244 -10.844 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.254 -10.808 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.316 -13.083 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.058 -13.031 3.796 1.00 0.00 H new ATOM 0 HE ARG A 9 7.268 -13.717 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.202 -12.156 5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.561 -12.469 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.440 -14.121 8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.816 -13.571 8.552 1.00 0.00 H new ATOM 108 N ALA A 10 5.849 -7.709 2.869 1.00 0.00 N ATOM 109 CA ALA A 10 5.902 -6.236 3.071 1.00 0.00 C ATOM 110 C ALA A 10 6.801 -5.905 4.265 1.00 0.00 C ATOM 111 O ALA A 10 7.131 -6.754 5.068 1.00 0.00 O ATOM 112 CB ALA A 10 4.492 -5.707 3.324 1.00 0.00 C ATOM 0 H ALA A 10 4.916 -8.121 2.900 1.00 0.00 H new ATOM 0 HA ALA A 10 6.312 -5.765 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.529 -4.628 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.859 -5.934 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.080 -6.181 4.215 1.00 0.00 H new ATOM 118 N LEU A 11 7.197 -4.668 4.378 1.00 0.00 N ATOM 119 CA LEU A 11 8.075 -4.251 5.509 1.00 0.00 C ATOM 120 C LEU A 11 7.595 -2.901 6.031 1.00 0.00 C ATOM 121 O LEU A 11 7.567 -2.654 7.220 1.00 0.00 O ATOM 122 CB LEU A 11 9.520 -4.097 5.023 1.00 0.00 C ATOM 123 CG LEU A 11 10.201 -5.461 4.969 1.00 0.00 C ATOM 124 CD1 LEU A 11 11.375 -5.401 3.991 1.00 0.00 C ATOM 125 CD2 LEU A 11 10.713 -5.829 6.364 1.00 0.00 C ATOM 0 H LEU A 11 6.948 -3.921 3.730 1.00 0.00 H new ATOM 0 HA LEU A 11 8.033 -5.007 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.533 -3.636 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.069 -3.434 5.692 1.00 0.00 H new ATOM 0 HG LEU A 11 9.488 -6.215 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.864 -6.374 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.009 -5.137 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.090 -4.649 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.200 -6.803 6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.429 -5.078 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.875 -5.868 7.060 1.00 0.00 H new ATOM 137 N TYR A 12 7.220 -2.023 5.144 1.00 0.00 N ATOM 138 CA TYR A 12 6.742 -0.686 5.585 1.00 0.00 C ATOM 139 C TYR A 12 5.279 -0.487 5.174 1.00 0.00 C ATOM 140 O TYR A 12 4.565 -1.435 4.917 1.00 0.00 O ATOM 141 CB TYR A 12 7.622 0.379 4.947 1.00 0.00 C ATOM 142 CG TYR A 12 9.066 0.120 5.374 1.00 0.00 C ATOM 143 CD1 TYR A 12 9.721 -1.021 4.961 1.00 0.00 C ATOM 144 CD2 TYR A 12 9.725 1.012 6.189 1.00 0.00 C ATOM 145 CE1 TYR A 12 11.019 -1.266 5.356 1.00 0.00 C ATOM 146 CE2 TYR A 12 11.024 0.770 6.585 1.00 0.00 C ATOM 147 CZ TYR A 12 11.683 -0.372 6.171 1.00 0.00 C ATOM 148 OH TYR A 12 12.985 -0.610 6.561 1.00 0.00 O ATOM 0 H TYR A 12 7.224 -2.174 4.135 1.00 0.00 H new ATOM 0 HA TYR A 12 6.802 -0.609 6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.534 0.345 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.305 1.373 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.213 -1.729 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.221 1.908 6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.520 -2.164 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.530 1.479 7.224 1.00 0.00 H new ATOM 0 HH TYR A 12 13.295 0.124 7.132 1.00 0.00 H new ATOM 158 N ASP A 13 4.825 0.736 5.110 1.00 0.00 N ATOM 159 CA ASP A 13 3.407 0.982 4.718 1.00 0.00 C ATOM 160 C ASP A 13 3.348 1.835 3.448 1.00 0.00 C ATOM 161 O ASP A 13 4.336 2.394 3.015 1.00 0.00 O ATOM 162 CB ASP A 13 2.692 1.716 5.853 1.00 0.00 C ATOM 163 CG ASP A 13 3.210 3.154 5.929 1.00 0.00 C ATOM 164 OD1 ASP A 13 4.403 3.344 5.758 1.00 0.00 O ATOM 165 OD2 ASP A 13 2.404 4.041 6.158 1.00 0.00 O ATOM 0 H ASP A 13 5.372 1.573 5.311 1.00 0.00 H new ATOM 0 HA ASP A 13 2.920 0.026 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.615 1.713 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.866 1.204 6.799 1.00 0.00 H new ATOM 170 N TYR A 14 2.190 1.935 2.851 1.00 0.00 N ATOM 171 CA TYR A 14 2.050 2.749 1.610 1.00 0.00 C ATOM 172 C TYR A 14 0.566 2.857 1.243 1.00 0.00 C ATOM 173 O TYR A 14 -0.093 1.867 0.996 1.00 0.00 O ATOM 174 CB TYR A 14 2.806 2.066 0.470 1.00 0.00 C ATOM 175 CG TYR A 14 3.239 3.110 -0.560 1.00 0.00 C ATOM 176 CD1 TYR A 14 3.806 4.303 -0.160 1.00 0.00 C ATOM 177 CD2 TYR A 14 3.067 2.872 -1.909 1.00 0.00 C ATOM 178 CE1 TYR A 14 4.195 5.241 -1.092 1.00 0.00 C ATOM 179 CE2 TYR A 14 3.457 3.810 -2.841 1.00 0.00 C ATOM 180 CZ TYR A 14 4.024 5.002 -2.440 1.00 0.00 C ATOM 181 OH TYR A 14 4.413 5.941 -3.375 1.00 0.00 O ATOM 0 H TYR A 14 1.332 1.486 3.171 1.00 0.00 H new ATOM 0 HA TYR A 14 2.460 3.745 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.679 1.543 0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.171 1.316 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.946 4.503 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.623 1.944 -2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.637 6.170 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.318 3.610 -3.893 1.00 0.00 H new ATOM 0 HH TYR A 14 4.791 6.721 -2.918 1.00 0.00 H new ATOM 191 N LYS A 15 0.035 4.051 1.205 1.00 0.00 N ATOM 192 CA LYS A 15 -1.406 4.212 0.855 1.00 0.00 C ATOM 193 C LYS A 15 -1.550 4.471 -0.648 1.00 0.00 C ATOM 194 O LYS A 15 -2.220 5.394 -1.064 1.00 0.00 O ATOM 195 CB LYS A 15 -1.993 5.392 1.635 1.00 0.00 C ATOM 196 CG LYS A 15 -2.850 4.868 2.788 1.00 0.00 C ATOM 197 CD LYS A 15 -3.689 6.011 3.362 1.00 0.00 C ATOM 198 CE LYS A 15 -4.710 5.449 4.352 1.00 0.00 C ATOM 199 NZ LYS A 15 -5.769 4.713 3.606 1.00 0.00 N ATOM 0 H LYS A 15 0.535 4.918 1.400 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.942 3.299 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.191 6.021 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.596 6.014 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.500 4.067 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.213 4.445 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.044 6.735 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.200 6.540 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.218 4.782 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.154 6.258 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.622 4.640 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.996 5.225 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.428 3.759 3.370 1.00 0.00 H new ATOM 213 N LYS A 16 -0.927 3.662 -1.463 1.00 0.00 N ATOM 214 CA LYS A 16 -1.027 3.858 -2.940 1.00 0.00 C ATOM 215 C LYS A 16 -0.915 5.346 -3.277 1.00 0.00 C ATOM 216 O LYS A 16 -1.889 6.071 -3.265 1.00 0.00 O ATOM 217 CB LYS A 16 -2.374 3.326 -3.434 1.00 0.00 C ATOM 218 CG LYS A 16 -2.527 3.617 -4.929 1.00 0.00 C ATOM 219 CD LYS A 16 -4.011 3.768 -5.275 1.00 0.00 C ATOM 220 CE LYS A 16 -4.735 2.444 -5.024 1.00 0.00 C ATOM 221 NZ LYS A 16 -5.736 2.209 -6.101 1.00 0.00 N ATOM 0 H LYS A 16 -0.352 2.872 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.216 3.317 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.440 2.253 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.187 3.793 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.988 4.528 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.088 2.809 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.457 4.558 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.123 4.063 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.017 1.625 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.230 2.467 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.227 1.309 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.428 2.985 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.253 2.169 -7.021 1.00 0.00 H new ATOM 235 N GLU A 17 0.267 5.807 -3.583 1.00 0.00 N ATOM 236 CA GLU A 17 0.439 7.247 -3.920 1.00 0.00 C ATOM 237 C GLU A 17 -0.145 7.514 -5.309 1.00 0.00 C ATOM 238 O GLU A 17 -1.260 7.977 -5.445 1.00 0.00 O ATOM 239 CB GLU A 17 1.927 7.596 -3.915 1.00 0.00 C ATOM 240 CG GLU A 17 2.241 8.468 -2.699 1.00 0.00 C ATOM 241 CD GLU A 17 3.669 9.005 -2.815 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.836 10.070 -3.386 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.571 8.341 -2.332 1.00 0.00 O ATOM 0 H GLU A 17 1.120 5.249 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.079 7.861 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.525 6.685 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.191 8.123 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.533 9.295 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.132 7.887 -1.783 1.00 0.00 H new ATOM 250 N ARG A 18 0.600 7.226 -6.341 1.00 0.00 N ATOM 251 CA ARG A 18 0.089 7.463 -7.720 1.00 0.00 C ATOM 252 C ARG A 18 -0.659 6.218 -8.206 1.00 0.00 C ATOM 253 O ARG A 18 -0.359 5.109 -7.812 1.00 0.00 O ATOM 254 CB ARG A 18 1.262 7.748 -8.659 1.00 0.00 C ATOM 255 CG ARG A 18 2.231 8.725 -7.989 1.00 0.00 C ATOM 256 CD ARG A 18 1.734 10.157 -8.193 1.00 0.00 C ATOM 257 NE ARG A 18 2.900 11.063 -8.391 1.00 0.00 N ATOM 258 CZ ARG A 18 2.715 12.300 -8.768 1.00 0.00 C ATOM 259 NH1 ARG A 18 1.506 12.751 -8.974 1.00 0.00 N ATOM 260 NH2 ARG A 18 3.741 13.087 -8.941 1.00 0.00 N ATOM 0 H ARG A 18 1.541 6.836 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.587 8.318 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.778 6.820 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.897 8.168 -9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.309 8.504 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.229 8.611 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.072 10.204 -9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.153 10.478 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 18 3.846 10.716 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.703 12.137 -8.840 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.365 13.717 -9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.685 12.736 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.599 14.053 -9.235 1.00 0.00 H new ATOM 274 N GLU A 19 -1.631 6.394 -9.058 1.00 0.00 N ATOM 275 CA GLU A 19 -2.397 5.225 -9.570 1.00 0.00 C ATOM 276 C GLU A 19 -1.430 4.120 -10.003 1.00 0.00 C ATOM 277 O GLU A 19 -1.782 2.959 -10.052 1.00 0.00 O ATOM 278 CB GLU A 19 -3.247 5.656 -10.768 1.00 0.00 C ATOM 279 CG GLU A 19 -4.693 5.867 -10.317 1.00 0.00 C ATOM 280 CD GLU A 19 -5.601 5.960 -11.546 1.00 0.00 C ATOM 281 OE1 GLU A 19 -5.132 6.423 -12.572 1.00 0.00 O ATOM 282 OE2 GLU A 19 -6.751 5.567 -11.438 1.00 0.00 O ATOM 0 H GLU A 19 -1.928 7.299 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.045 4.847 -8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.850 6.576 -11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.205 4.897 -11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.010 5.043 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.771 6.778 -9.724 1.00 0.00 H new ATOM 289 N GLU A 20 -0.212 4.471 -10.317 1.00 0.00 N ATOM 290 CA GLU A 20 0.775 3.440 -10.746 1.00 0.00 C ATOM 291 C GLU A 20 1.099 2.509 -9.577 1.00 0.00 C ATOM 292 O GLU A 20 1.081 1.300 -9.710 1.00 0.00 O ATOM 293 CB GLU A 20 2.055 4.130 -11.221 1.00 0.00 C ATOM 294 CG GLU A 20 2.944 3.115 -11.944 1.00 0.00 C ATOM 295 CD GLU A 20 2.252 2.656 -13.228 1.00 0.00 C ATOM 296 OE1 GLU A 20 2.384 3.344 -14.227 1.00 0.00 O ATOM 297 OE2 GLU A 20 1.602 1.624 -13.192 1.00 0.00 O ATOM 0 H GLU A 20 0.142 5.427 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 20 0.351 2.853 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.809 4.955 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.588 4.556 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.910 3.563 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.138 2.260 -11.297 1.00 0.00 H new ATOM 304 N ASP A 21 1.398 3.058 -8.434 1.00 0.00 N ATOM 305 CA ASP A 21 1.722 2.200 -7.259 1.00 0.00 C ATOM 306 C ASP A 21 0.428 1.731 -6.591 1.00 0.00 C ATOM 307 O ASP A 21 -0.654 2.156 -6.946 1.00 0.00 O ATOM 308 CB ASP A 21 2.559 2.996 -6.255 1.00 0.00 C ATOM 309 CG ASP A 21 1.775 4.223 -5.786 1.00 0.00 C ATOM 310 OD1 ASP A 21 0.558 4.194 -5.873 1.00 0.00 O ATOM 311 OD2 ASP A 21 2.404 5.171 -5.346 1.00 0.00 O ATOM 0 H ASP A 21 1.432 4.063 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 21 2.290 1.332 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.814 2.368 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.497 3.306 -6.715 1.00 0.00 H new ATOM 316 N ILE A 22 0.528 0.858 -5.626 1.00 0.00 N ATOM 317 CA ILE A 22 -0.700 0.366 -4.938 1.00 0.00 C ATOM 318 C ILE A 22 -0.547 0.529 -3.425 1.00 0.00 C ATOM 319 O ILE A 22 0.387 1.141 -2.947 1.00 0.00 O ATOM 320 CB ILE A 22 -0.922 -1.112 -5.269 1.00 0.00 C ATOM 321 CG1 ILE A 22 0.425 -1.797 -5.507 1.00 0.00 C ATOM 322 CG2 ILE A 22 -1.781 -1.226 -6.528 1.00 0.00 C ATOM 323 CD1 ILE A 22 0.348 -3.248 -5.026 1.00 0.00 C ATOM 0 H ILE A 22 1.405 0.465 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.556 0.948 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.429 -1.597 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.679 -1.766 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.214 -1.267 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.940 -2.278 -6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.743 -0.743 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.273 -0.739 -7.360 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.307 -3.739 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.113 -3.267 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.431 -3.774 -5.579 1.00 0.00 H new ATOM 335 N ASP A 23 -1.461 -0.014 -2.668 1.00 0.00 N ATOM 336 CA ASP A 23 -1.371 0.106 -1.185 1.00 0.00 C ATOM 337 C ASP A 23 -0.655 -1.114 -0.599 1.00 0.00 C ATOM 338 O ASP A 23 -1.141 -2.224 -0.676 1.00 0.00 O ATOM 339 CB ASP A 23 -2.782 0.184 -0.598 1.00 0.00 C ATOM 340 CG ASP A 23 -3.591 1.242 -1.348 1.00 0.00 C ATOM 341 OD1 ASP A 23 -3.898 1.011 -2.506 1.00 0.00 O ATOM 342 OD2 ASP A 23 -3.893 2.263 -0.752 1.00 0.00 O ATOM 0 H ASP A 23 -2.267 -0.536 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.810 1.007 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.273 -0.786 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.733 0.433 0.462 1.00 0.00 H new ATOM 347 N LEU A 24 0.495 -0.917 -0.013 1.00 0.00 N ATOM 348 CA LEU A 24 1.234 -2.069 0.577 1.00 0.00 C ATOM 349 C LEU A 24 1.445 -1.799 2.067 1.00 0.00 C ATOM 350 O LEU A 24 1.548 -0.664 2.489 1.00 0.00 O ATOM 351 CB LEU A 24 2.585 -2.246 -0.119 1.00 0.00 C ATOM 352 CG LEU A 24 3.476 -1.042 0.169 1.00 0.00 C ATOM 353 CD1 LEU A 24 4.876 -1.531 0.549 1.00 0.00 C ATOM 354 CD2 LEU A 24 3.559 -0.169 -1.082 1.00 0.00 C ATOM 0 H LEU A 24 0.953 -0.011 0.082 1.00 0.00 H new ATOM 0 HA LEU A 24 0.658 -2.984 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.068 -3.159 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.439 -2.353 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 24 3.059 -0.460 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.517 -0.674 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.813 -2.160 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.296 -2.108 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.195 0.694 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.981 -0.749 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.560 0.172 -1.355 1.00 0.00 H new ATOM 366 N HIS A 25 1.509 -2.824 2.871 1.00 0.00 N ATOM 367 CA HIS A 25 1.712 -2.601 4.333 1.00 0.00 C ATOM 368 C HIS A 25 2.464 -3.786 4.937 1.00 0.00 C ATOM 369 O HIS A 25 2.340 -4.904 4.484 1.00 0.00 O ATOM 370 CB HIS A 25 0.349 -2.461 5.030 1.00 0.00 C ATOM 371 CG HIS A 25 -0.731 -2.109 4.000 1.00 0.00 C ATOM 372 ND1 HIS A 25 -1.535 -0.989 3.905 1.00 0.00 N flip ATOM 373 CD2 HIS A 25 -1.058 -2.833 3.011 1.00 0.00 C flip ATOM 374 CE1 HIS A 25 -2.332 -1.096 2.829 1.00 0.00 C flip ATOM 375 NE2 HIS A 25 -1.978 -2.268 2.324 1.00 0.00 N flip ATOM 0 H HIS A 25 1.430 -3.800 2.584 1.00 0.00 H new ATOM 0 HA HIS A 25 2.292 -1.689 4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.092 -3.392 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 25 0.400 -1.686 5.795 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.525 -0.201 4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.621 -3.793 2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.075 -0.401 2.467 1.00 0.00 H new ATOM 383 N LEU A 26 3.242 -3.548 5.959 1.00 0.00 N ATOM 384 CA LEU A 26 4.006 -4.655 6.598 1.00 0.00 C ATOM 385 C LEU A 26 3.111 -5.893 6.728 1.00 0.00 C ATOM 386 O LEU A 26 1.959 -5.801 7.103 1.00 0.00 O ATOM 387 CB LEU A 26 4.471 -4.211 7.989 1.00 0.00 C ATOM 388 CG LEU A 26 5.159 -5.379 8.697 1.00 0.00 C ATOM 389 CD1 LEU A 26 6.677 -5.236 8.564 1.00 0.00 C ATOM 390 CD2 LEU A 26 4.774 -5.375 10.178 1.00 0.00 C ATOM 0 H LEU A 26 3.381 -2.629 6.380 1.00 0.00 H new ATOM 0 HA LEU A 26 4.872 -4.901 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.158 -3.369 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.619 -3.868 8.576 1.00 0.00 H new ATOM 0 HG LEU A 26 4.842 -6.317 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.167 -6.069 9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.952 -5.239 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.995 -4.298 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.264 -6.207 10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.090 -4.437 10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.693 -5.478 10.273 1.00 0.00 H new ATOM 402 N GLY A 27 3.633 -7.051 6.417 1.00 0.00 N ATOM 403 CA GLY A 27 2.814 -8.294 6.522 1.00 0.00 C ATOM 404 C GLY A 27 2.011 -8.496 5.233 1.00 0.00 C ATOM 405 O GLY A 27 1.239 -9.425 5.109 1.00 0.00 O ATOM 0 H GLY A 27 4.591 -7.189 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.461 -9.153 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.139 -8.225 7.375 1.00 0.00 H new ATOM 409 N ASP A 28 2.187 -7.631 4.273 1.00 0.00 N ATOM 410 CA ASP A 28 1.438 -7.767 2.991 1.00 0.00 C ATOM 411 C ASP A 28 2.256 -8.617 2.018 1.00 0.00 C ATOM 412 O ASP A 28 3.339 -8.245 1.615 1.00 0.00 O ATOM 413 CB ASP A 28 1.199 -6.381 2.388 1.00 0.00 C ATOM 414 CG ASP A 28 0.255 -6.501 1.191 1.00 0.00 C ATOM 415 OD1 ASP A 28 0.519 -7.327 0.333 1.00 0.00 O ATOM 416 OD2 ASP A 28 -0.716 -5.762 1.152 1.00 0.00 O ATOM 0 H ASP A 28 2.820 -6.832 4.321 1.00 0.00 H new ATOM 0 HA ASP A 28 0.478 -8.248 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.770 -5.716 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.146 -5.941 2.075 1.00 0.00 H new ATOM 421 N ILE A 29 1.743 -9.749 1.626 1.00 0.00 N ATOM 422 CA ILE A 29 2.499 -10.617 0.679 1.00 0.00 C ATOM 423 C ILE A 29 2.336 -10.097 -0.753 1.00 0.00 C ATOM 424 O ILE A 29 1.252 -9.759 -1.185 1.00 0.00 O ATOM 425 CB ILE A 29 1.964 -12.048 0.762 1.00 0.00 C ATOM 426 CG1 ILE A 29 2.342 -12.660 2.112 1.00 0.00 C ATOM 427 CG2 ILE A 29 2.574 -12.885 -0.364 1.00 0.00 C ATOM 428 CD1 ILE A 29 1.663 -11.881 3.239 1.00 0.00 C ATOM 0 H ILE A 29 0.835 -10.111 1.919 1.00 0.00 H new ATOM 0 HA ILE A 29 3.555 -10.602 0.948 1.00 0.00 H new ATOM 0 HB ILE A 29 0.879 -12.035 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.038 -13.706 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.424 -12.638 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.194 -13.905 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.304 -12.451 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.659 -12.896 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.934 -12.320 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.989 -10.841 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.581 -11.926 3.112 1.00 0.00 H new ATOM 440 N LEU A 30 3.413 -10.031 -1.491 1.00 0.00 N ATOM 441 CA LEU A 30 3.335 -9.536 -2.895 1.00 0.00 C ATOM 442 C LEU A 30 3.663 -10.697 -3.832 1.00 0.00 C ATOM 443 O LEU A 30 4.588 -11.448 -3.596 1.00 0.00 O ATOM 444 CB LEU A 30 4.342 -8.403 -3.100 1.00 0.00 C ATOM 445 CG LEU A 30 3.736 -7.092 -2.599 1.00 0.00 C ATOM 446 CD1 LEU A 30 3.134 -7.306 -1.214 1.00 0.00 C ATOM 447 CD2 LEU A 30 4.823 -6.024 -2.508 1.00 0.00 C ATOM 0 H LEU A 30 4.346 -10.300 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 30 2.335 -9.156 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.265 -8.619 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.601 -8.318 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 30 2.961 -6.768 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.702 -6.371 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.356 -8.068 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.913 -7.632 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.387 -5.091 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.598 -6.352 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.261 -5.866 -3.493 1.00 0.00 H new ATOM 459 N THR A 31 2.924 -10.850 -4.895 1.00 0.00 N ATOM 460 CA THR A 31 3.208 -11.971 -5.833 1.00 0.00 C ATOM 461 C THR A 31 3.642 -11.444 -7.202 1.00 0.00 C ATOM 462 O THR A 31 2.829 -11.223 -8.079 1.00 0.00 O ATOM 463 CB THR A 31 1.946 -12.819 -5.992 1.00 0.00 C ATOM 464 OG1 THR A 31 0.955 -12.367 -5.078 1.00 0.00 O ATOM 465 CG2 THR A 31 2.279 -14.282 -5.703 1.00 0.00 C ATOM 0 H THR A 31 2.140 -10.251 -5.154 1.00 0.00 H new ATOM 0 HA THR A 31 4.020 -12.572 -5.424 1.00 0.00 H new ATOM 0 HB THR A 31 1.569 -12.727 -7.011 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.145 -12.909 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.381 -14.889 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.040 -14.627 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.654 -14.375 -4.684 1.00 0.00 H new ATOM 473 N VAL A 32 4.917 -11.233 -7.391 1.00 0.00 N ATOM 474 CA VAL A 32 5.403 -10.724 -8.705 1.00 0.00 C ATOM 475 C VAL A 32 5.707 -11.922 -9.620 1.00 0.00 C ATOM 476 O VAL A 32 6.685 -12.617 -9.441 1.00 0.00 O ATOM 477 CB VAL A 32 6.668 -9.879 -8.474 1.00 0.00 C ATOM 478 CG1 VAL A 32 7.660 -10.038 -9.636 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.265 -8.408 -8.357 1.00 0.00 C ATOM 0 H VAL A 32 5.643 -11.391 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 32 4.646 -10.101 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 32 7.153 -10.220 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.544 -9.430 -9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.952 -11.084 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.189 -9.713 -10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.154 -7.799 -8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.773 -8.091 -9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.580 -8.284 -7.518 1.00 0.00 H new ATOM 489 N ASN A 33 4.875 -12.162 -10.599 1.00 0.00 N ATOM 490 CA ASN A 33 5.117 -13.311 -11.520 1.00 0.00 C ATOM 491 C ASN A 33 6.554 -13.255 -12.043 1.00 0.00 C ATOM 492 O ASN A 33 7.182 -12.216 -12.049 1.00 0.00 O ATOM 493 CB ASN A 33 4.146 -13.235 -12.700 1.00 0.00 C ATOM 494 CG ASN A 33 3.381 -14.556 -12.822 1.00 0.00 C ATOM 495 OD1 ASN A 33 3.653 -15.350 -13.701 1.00 0.00 O ATOM 496 ND2 ASN A 33 2.426 -14.824 -11.974 1.00 0.00 N ATOM 0 H ASN A 33 4.039 -11.613 -10.800 1.00 0.00 H new ATOM 0 HA ASN A 33 4.962 -14.245 -10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.448 -12.411 -12.557 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.693 -13.033 -13.621 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.908 -15.700 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.197 -14.158 -11.236 1.00 0.00 H new ATOM 503 N LYS A 34 7.078 -14.366 -12.485 1.00 0.00 N ATOM 504 CA LYS A 34 8.470 -14.380 -13.008 1.00 0.00 C ATOM 505 C LYS A 34 8.514 -13.700 -14.376 1.00 0.00 C ATOM 506 O LYS A 34 7.524 -13.626 -15.077 1.00 0.00 O ATOM 507 CB LYS A 34 8.944 -15.827 -13.143 1.00 0.00 C ATOM 508 CG LYS A 34 8.318 -16.680 -12.038 1.00 0.00 C ATOM 509 CD LYS A 34 7.130 -17.460 -12.604 1.00 0.00 C ATOM 510 CE LYS A 34 7.619 -18.793 -13.173 1.00 0.00 C ATOM 511 NZ LYS A 34 7.255 -19.896 -12.240 1.00 0.00 N ATOM 0 H LYS A 34 6.599 -15.266 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 34 9.122 -13.843 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.667 -16.221 -14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.031 -15.871 -13.078 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.059 -17.369 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.990 -16.044 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.391 -17.635 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.638 -16.878 -13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.172 -18.968 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.699 -18.765 -13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.588 -20.802 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.701 -19.730 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.222 -19.927 -12.125 1.00 0.00 H new ATOM 525 N GLY A 35 9.656 -13.203 -14.763 1.00 0.00 N ATOM 526 CA GLY A 35 9.766 -12.528 -16.085 1.00 0.00 C ATOM 527 C GLY A 35 9.367 -11.059 -15.940 1.00 0.00 C ATOM 528 O GLY A 35 10.125 -10.166 -16.258 1.00 0.00 O ATOM 0 H GLY A 35 10.519 -13.236 -14.220 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.786 -12.604 -16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.121 -13.021 -16.812 1.00 0.00 H new ATOM 532 N SER A 36 8.181 -10.801 -15.462 1.00 0.00 N ATOM 533 CA SER A 36 7.735 -9.393 -15.297 1.00 0.00 C ATOM 534 C SER A 36 8.797 -8.603 -14.526 1.00 0.00 C ATOM 535 O SER A 36 8.874 -7.395 -14.621 1.00 0.00 O ATOM 536 CB SER A 36 6.416 -9.362 -14.524 1.00 0.00 C ATOM 537 OG SER A 36 5.743 -8.139 -14.786 1.00 0.00 O ATOM 0 H SER A 36 7.502 -11.507 -15.179 1.00 0.00 H new ATOM 0 HA SER A 36 7.592 -8.943 -16.279 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.790 -10.204 -14.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.606 -9.464 -13.455 1.00 0.00 H new ATOM 0 HG SER A 36 4.897 -8.119 -14.292 1.00 0.00 H new ATOM 543 N LEU A 37 9.614 -9.276 -13.762 1.00 0.00 N ATOM 544 CA LEU A 37 10.668 -8.562 -12.987 1.00 0.00 C ATOM 545 C LEU A 37 11.946 -8.475 -13.822 1.00 0.00 C ATOM 546 O LEU A 37 12.684 -7.513 -13.748 1.00 0.00 O ATOM 547 CB LEU A 37 10.954 -9.325 -11.692 1.00 0.00 C ATOM 548 CG LEU A 37 10.899 -8.358 -10.508 1.00 0.00 C ATOM 549 CD1 LEU A 37 10.818 -9.153 -9.204 1.00 0.00 C ATOM 550 CD2 LEU A 37 12.159 -7.491 -10.498 1.00 0.00 C ATOM 0 H LEU A 37 9.597 -10.289 -13.641 1.00 0.00 H new ATOM 0 HA LEU A 37 10.323 -7.556 -12.747 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.223 -10.123 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.935 -9.797 -11.745 1.00 0.00 H new ATOM 0 HG LEU A 37 10.020 -7.720 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.779 -8.464 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.920 -9.771 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.697 -9.791 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.120 -6.802 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.038 -8.128 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.218 -6.924 -11.427 1.00 0.00 H new ATOM 562 N VAL A 38 12.216 -9.475 -14.616 1.00 0.00 N ATOM 563 CA VAL A 38 13.447 -9.454 -15.455 1.00 0.00 C ATOM 564 C VAL A 38 13.146 -8.783 -16.799 1.00 0.00 C ATOM 565 O VAL A 38 13.998 -8.684 -17.659 1.00 0.00 O ATOM 566 CB VAL A 38 13.910 -10.888 -15.700 1.00 0.00 C ATOM 567 CG1 VAL A 38 14.999 -10.899 -16.775 1.00 0.00 C ATOM 568 CG2 VAL A 38 14.471 -11.473 -14.400 1.00 0.00 C ATOM 0 H VAL A 38 11.636 -10.307 -14.720 1.00 0.00 H new ATOM 0 HA VAL A 38 14.228 -8.895 -14.940 1.00 0.00 H new ATOM 0 HB VAL A 38 13.064 -11.489 -16.035 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.328 -11.923 -16.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.601 -10.484 -17.701 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.845 -10.297 -16.442 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.802 -12.497 -14.575 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.316 -10.871 -14.065 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.695 -11.468 -13.634 1.00 0.00 H new ATOM 578 N ALA A 39 11.940 -8.323 -16.985 1.00 0.00 N ATOM 579 CA ALA A 39 11.582 -7.660 -18.272 1.00 0.00 C ATOM 580 C ALA A 39 12.358 -6.347 -18.412 1.00 0.00 C ATOM 581 O ALA A 39 12.337 -5.711 -19.449 1.00 0.00 O ATOM 582 CB ALA A 39 10.080 -7.368 -18.292 1.00 0.00 C ATOM 0 H ALA A 39 11.185 -8.377 -16.301 1.00 0.00 H new ATOM 0 HA ALA A 39 11.839 -8.320 -19.101 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.816 -6.883 -19.232 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.526 -8.302 -18.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.826 -6.710 -17.461 1.00 0.00 H new ATOM 588 N LEU A 40 13.043 -5.933 -17.382 1.00 0.00 N ATOM 589 CA LEU A 40 13.816 -4.660 -17.465 1.00 0.00 C ATOM 590 C LEU A 40 15.306 -4.980 -17.578 1.00 0.00 C ATOM 591 O LEU A 40 16.152 -4.145 -17.325 1.00 0.00 O ATOM 592 CB LEU A 40 13.573 -3.822 -16.207 1.00 0.00 C ATOM 593 CG LEU A 40 12.074 -3.781 -15.884 1.00 0.00 C ATOM 594 CD1 LEU A 40 11.275 -3.529 -17.165 1.00 0.00 C ATOM 595 CD2 LEU A 40 11.644 -5.113 -15.266 1.00 0.00 C ATOM 0 H LEU A 40 13.101 -6.420 -16.487 1.00 0.00 H new ATOM 0 HA LEU A 40 13.491 -4.098 -18.341 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.123 -4.245 -15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.949 -2.810 -16.356 1.00 0.00 H new ATOM 0 HG LEU A 40 11.882 -2.975 -15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.211 -3.501 -16.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.576 -2.576 -17.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.468 -4.331 -17.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.579 -5.081 -15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.840 -5.921 -15.971 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.207 -5.287 -14.349 1.00 0.00 H new ATOM 607 N GLY A 41 15.636 -6.186 -17.955 1.00 0.00 N ATOM 608 CA GLY A 41 17.073 -6.558 -18.084 1.00 0.00 C ATOM 609 C GLY A 41 17.697 -6.675 -16.692 1.00 0.00 C ATOM 610 O GLY A 41 18.826 -6.285 -16.473 1.00 0.00 O ATOM 0 H GLY A 41 14.973 -6.928 -18.179 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.168 -7.504 -18.617 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.603 -5.807 -18.670 1.00 0.00 H new ATOM 614 N PHE A 42 16.971 -7.208 -15.749 1.00 0.00 N ATOM 615 CA PHE A 42 17.521 -7.351 -14.371 1.00 0.00 C ATOM 616 C PHE A 42 18.803 -8.182 -14.419 1.00 0.00 C ATOM 617 O PHE A 42 19.351 -8.434 -15.474 1.00 0.00 O ATOM 618 CB PHE A 42 16.494 -8.058 -13.485 1.00 0.00 C ATOM 619 CG PHE A 42 15.564 -7.027 -12.845 1.00 0.00 C ATOM 620 CD1 PHE A 42 14.849 -6.141 -13.631 1.00 0.00 C ATOM 621 CD2 PHE A 42 15.408 -6.982 -11.472 1.00 0.00 C ATOM 622 CE1 PHE A 42 13.993 -5.227 -13.052 1.00 0.00 C ATOM 623 CE2 PHE A 42 14.551 -6.071 -10.895 1.00 0.00 C ATOM 624 CZ PHE A 42 13.844 -5.192 -11.683 1.00 0.00 C ATOM 0 H PHE A 42 16.019 -7.552 -15.873 1.00 0.00 H new ATOM 0 HA PHE A 42 17.740 -6.364 -13.963 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.914 -8.765 -14.078 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.002 -8.633 -12.711 1.00 0.00 H new ATOM 0 HD1 PHE A 42 14.962 -6.165 -14.705 1.00 0.00 H new ATOM 0 HD2 PHE A 42 15.962 -7.666 -10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 42 13.439 -4.538 -13.673 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.434 -6.047 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.174 -4.477 -11.229 1.00 0.00 H new ATOM 634 N SER A 43 19.287 -8.608 -13.285 1.00 0.00 N ATOM 635 CA SER A 43 20.533 -9.423 -13.267 1.00 0.00 C ATOM 636 C SER A 43 20.279 -10.723 -12.540 1.00 0.00 C ATOM 637 O SER A 43 20.310 -10.797 -11.330 1.00 0.00 O ATOM 638 CB SER A 43 21.658 -8.648 -12.580 1.00 0.00 C ATOM 639 OG SER A 43 22.773 -9.505 -12.387 1.00 0.00 O ATOM 0 H SER A 43 18.873 -8.427 -12.370 1.00 0.00 H new ATOM 0 HA SER A 43 20.834 -9.639 -14.292 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.946 -7.790 -13.187 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.314 -8.260 -11.621 1.00 0.00 H new ATOM 0 HG SER A 43 23.495 -9.009 -11.948 1.00 0.00 H new ATOM 645 N ASP A 44 20.023 -11.738 -13.313 1.00 0.00 N ATOM 646 CA ASP A 44 19.749 -13.102 -12.786 1.00 0.00 C ATOM 647 C ASP A 44 20.272 -13.261 -11.354 1.00 0.00 C ATOM 648 O ASP A 44 21.420 -13.588 -11.134 1.00 0.00 O ATOM 649 CB ASP A 44 20.449 -14.123 -13.688 1.00 0.00 C ATOM 650 CG ASP A 44 21.347 -13.427 -14.720 1.00 0.00 C ATOM 651 OD1 ASP A 44 22.397 -12.940 -14.332 1.00 0.00 O ATOM 652 OD2 ASP A 44 20.967 -13.393 -15.879 1.00 0.00 O ATOM 0 H ASP A 44 19.991 -11.674 -14.331 1.00 0.00 H new ATOM 0 HA ASP A 44 18.671 -13.263 -12.776 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.048 -14.800 -13.079 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.704 -14.730 -14.201 1.00 0.00 H new ATOM 657 N GLY A 45 19.432 -13.035 -10.380 1.00 0.00 N ATOM 658 CA GLY A 45 19.874 -13.172 -8.963 1.00 0.00 C ATOM 659 C GLY A 45 19.366 -11.979 -8.150 1.00 0.00 C ATOM 660 O GLY A 45 19.370 -11.997 -6.935 1.00 0.00 O ATOM 0 H GLY A 45 18.457 -12.761 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.493 -14.102 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.962 -13.222 -8.914 1.00 0.00 H new ATOM 664 N GLN A 46 18.928 -10.940 -8.811 1.00 0.00 N ATOM 665 CA GLN A 46 18.421 -9.747 -8.076 1.00 0.00 C ATOM 666 C GLN A 46 16.915 -9.886 -7.839 1.00 0.00 C ATOM 667 O GLN A 46 16.281 -9.007 -7.290 1.00 0.00 O ATOM 668 CB GLN A 46 18.693 -8.488 -8.899 1.00 0.00 C ATOM 669 CG GLN A 46 20.036 -7.885 -8.481 1.00 0.00 C ATOM 670 CD GLN A 46 20.660 -7.158 -9.676 1.00 0.00 C ATOM 671 OE1 GLN A 46 21.854 -7.227 -9.887 1.00 0.00 O ATOM 672 NE2 GLN A 46 19.894 -6.462 -10.469 1.00 0.00 N ATOM 0 H GLN A 46 18.900 -10.867 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 46 18.931 -9.673 -7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 18.706 -8.731 -9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 46 17.894 -7.762 -8.748 1.00 0.00 H new ATOM 0 HG2 GLN A 46 19.894 -7.191 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 46 20.706 -8.669 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 46 18.891 -6.406 -10.290 1.00 0.00 H new ATOM 0 HE22 GLN A 46 20.297 -5.974 -11.269 1.00 0.00 H new ATOM 681 N GLU A 47 16.335 -10.982 -8.249 1.00 0.00 N ATOM 682 CA GLU A 47 14.871 -11.171 -8.043 1.00 0.00 C ATOM 683 C GLU A 47 14.575 -11.265 -6.546 1.00 0.00 C ATOM 684 O GLU A 47 13.474 -11.005 -6.103 1.00 0.00 O ATOM 685 CB GLU A 47 14.416 -12.460 -8.731 1.00 0.00 C ATOM 686 CG GLU A 47 15.220 -12.671 -10.016 1.00 0.00 C ATOM 687 CD GLU A 47 16.161 -13.863 -9.835 1.00 0.00 C ATOM 688 OE1 GLU A 47 16.752 -13.972 -8.774 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.273 -14.649 -10.763 1.00 0.00 O ATOM 0 H GLU A 47 16.811 -11.753 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 47 14.335 -10.323 -8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.553 -13.309 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.352 -12.405 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.547 -12.849 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.792 -11.774 -10.252 1.00 0.00 H new ATOM 696 N ALA A 48 15.551 -11.635 -5.763 1.00 0.00 N ATOM 697 CA ALA A 48 15.325 -11.746 -4.294 1.00 0.00 C ATOM 698 C ALA A 48 15.941 -10.536 -3.589 1.00 0.00 C ATOM 699 O ALA A 48 16.188 -10.557 -2.400 1.00 0.00 O ATOM 700 CB ALA A 48 15.980 -13.027 -3.772 1.00 0.00 C ATOM 0 H ALA A 48 16.494 -11.865 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 48 14.254 -11.777 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.815 -13.108 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.541 -13.890 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.051 -12.996 -3.973 1.00 0.00 H new ATOM 706 N ARG A 49 16.190 -9.479 -4.312 1.00 0.00 N ATOM 707 CA ARG A 49 16.790 -8.269 -3.682 1.00 0.00 C ATOM 708 C ARG A 49 15.981 -7.034 -4.091 1.00 0.00 C ATOM 709 O ARG A 49 16.487 -6.164 -4.771 1.00 0.00 O ATOM 710 CB ARG A 49 18.238 -8.107 -4.154 1.00 0.00 C ATOM 711 CG ARG A 49 18.944 -9.465 -4.149 1.00 0.00 C ATOM 712 CD ARG A 49 19.867 -9.557 -2.933 1.00 0.00 C ATOM 713 NE ARG A 49 20.178 -10.988 -2.655 1.00 0.00 N ATOM 714 CZ ARG A 49 21.100 -11.304 -1.784 1.00 0.00 C ATOM 715 NH1 ARG A 49 21.757 -10.368 -1.152 1.00 0.00 N ATOM 716 NH2 ARG A 49 21.367 -12.558 -1.547 1.00 0.00 N ATOM 0 H ARG A 49 16.004 -9.401 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 49 16.774 -8.378 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.257 -7.682 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.766 -7.411 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.208 -10.269 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.520 -9.591 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.787 -9.003 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.390 -9.102 -2.065 1.00 0.00 H new ATOM 0 HE ARG A 49 19.670 -11.723 -3.146 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.551 -9.386 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.476 -10.619 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.857 -13.290 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.086 -12.807 -0.868 1.00 0.00 H new ATOM 730 N PRO A 50 14.746 -6.993 -3.656 1.00 0.00 N ATOM 731 CA PRO A 50 13.842 -5.869 -3.964 1.00 0.00 C ATOM 732 C PRO A 50 14.438 -4.554 -3.460 1.00 0.00 C ATOM 733 O PRO A 50 14.254 -3.509 -4.053 1.00 0.00 O ATOM 734 CB PRO A 50 12.541 -6.196 -3.219 1.00 0.00 C ATOM 735 CG PRO A 50 12.733 -7.564 -2.513 1.00 0.00 C ATOM 736 CD PRO A 50 14.160 -8.050 -2.813 1.00 0.00 C ATOM 0 HA PRO A 50 13.680 -5.748 -5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.312 -5.418 -2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.703 -6.239 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.581 -7.464 -1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.000 -8.286 -2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.732 -8.188 -1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.151 -9.009 -3.330 1.00 0.00 H new ATOM 744 N GLU A 51 15.149 -4.597 -2.368 1.00 0.00 N ATOM 745 CA GLU A 51 15.757 -3.349 -1.824 1.00 0.00 C ATOM 746 C GLU A 51 16.684 -2.730 -2.873 1.00 0.00 C ATOM 747 O GLU A 51 16.866 -1.529 -2.924 1.00 0.00 O ATOM 748 CB GLU A 51 16.561 -3.681 -0.564 1.00 0.00 C ATOM 749 CG GLU A 51 17.690 -4.652 -0.916 1.00 0.00 C ATOM 750 CD GLU A 51 18.249 -5.268 0.368 1.00 0.00 C ATOM 751 OE1 GLU A 51 17.735 -4.948 1.427 1.00 0.00 O ATOM 752 OE2 GLU A 51 19.180 -6.050 0.270 1.00 0.00 O ATOM 0 H GLU A 51 15.336 -5.442 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 51 14.967 -2.640 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.974 -2.769 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.909 -4.123 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.318 -5.435 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.480 -4.129 -1.455 1.00 0.00 H new ATOM 759 N GLU A 52 17.272 -3.538 -3.712 1.00 0.00 N ATOM 760 CA GLU A 52 18.187 -2.995 -4.757 1.00 0.00 C ATOM 761 C GLU A 52 17.505 -3.062 -6.127 1.00 0.00 C ATOM 762 O GLU A 52 18.066 -2.668 -7.129 1.00 0.00 O ATOM 763 CB GLU A 52 19.473 -3.825 -4.788 1.00 0.00 C ATOM 764 CG GLU A 52 20.562 -3.110 -3.988 1.00 0.00 C ATOM 765 CD GLU A 52 21.805 -2.937 -4.862 1.00 0.00 C ATOM 766 OE1 GLU A 52 21.796 -2.052 -5.702 1.00 0.00 O ATOM 767 OE2 GLU A 52 22.745 -3.692 -4.677 1.00 0.00 O ATOM 0 H GLU A 52 17.159 -4.552 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 52 18.426 -1.957 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.290 -4.814 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.800 -3.970 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.202 -2.138 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.809 -3.684 -3.095 1.00 0.00 H new ATOM 774 N ILE A 53 16.297 -3.557 -6.178 1.00 0.00 N ATOM 775 CA ILE A 53 15.583 -3.646 -7.485 1.00 0.00 C ATOM 776 C ILE A 53 14.999 -2.275 -7.839 1.00 0.00 C ATOM 777 O ILE A 53 15.010 -1.859 -8.980 1.00 0.00 O ATOM 778 CB ILE A 53 14.459 -4.684 -7.374 1.00 0.00 C ATOM 779 CG1 ILE A 53 15.050 -6.087 -7.537 1.00 0.00 C ATOM 780 CG2 ILE A 53 13.414 -4.444 -8.471 1.00 0.00 C ATOM 781 CD1 ILE A 53 13.921 -7.114 -7.634 1.00 0.00 C ATOM 0 H ILE A 53 15.775 -3.903 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 53 16.277 -3.950 -8.269 1.00 0.00 H new ATOM 0 HB ILE A 53 13.982 -4.593 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.671 -6.129 -8.432 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.696 -6.321 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.619 -5.185 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.992 -3.445 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.887 -4.531 -9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.345 -8.111 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.319 -7.079 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.293 -6.884 -8.495 1.00 0.00 H new ATOM 793 N GLY A 54 14.486 -1.572 -6.869 1.00 0.00 N ATOM 794 CA GLY A 54 13.901 -0.230 -7.148 1.00 0.00 C ATOM 795 C GLY A 54 12.386 -0.287 -6.948 1.00 0.00 C ATOM 796 O GLY A 54 11.858 0.229 -5.985 1.00 0.00 O ATOM 0 H GLY A 54 14.446 -1.868 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.339 0.515 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.133 0.076 -8.168 1.00 0.00 H new ATOM 800 N TRP A 55 11.687 -0.907 -7.856 1.00 0.00 N ATOM 801 CA TRP A 55 10.205 -1.003 -7.729 1.00 0.00 C ATOM 802 C TRP A 55 9.733 -2.319 -8.350 1.00 0.00 C ATOM 803 O TRP A 55 10.236 -2.747 -9.370 1.00 0.00 O ATOM 804 CB TRP A 55 9.551 0.170 -8.464 1.00 0.00 C ATOM 805 CG TRP A 55 9.463 1.378 -7.527 1.00 0.00 C ATOM 806 CD1 TRP A 55 10.513 2.104 -7.106 1.00 0.00 C ATOM 807 CD2 TRP A 55 8.337 1.864 -7.008 1.00 0.00 C ATOM 808 NE1 TRP A 55 9.959 3.030 -6.322 1.00 0.00 N ATOM 809 CE2 TRP A 55 8.612 2.954 -6.206 1.00 0.00 C ATOM 810 CE3 TRP A 55 7.033 1.439 -7.168 1.00 0.00 C ATOM 811 CZ2 TRP A 55 7.588 3.618 -5.565 1.00 0.00 C ATOM 812 CZ3 TRP A 55 6.007 2.105 -6.526 1.00 0.00 C ATOM 813 CH2 TRP A 55 6.286 3.193 -5.725 1.00 0.00 C ATOM 0 H TRP A 55 12.079 -1.354 -8.685 1.00 0.00 H new ATOM 0 HA TRP A 55 9.925 -0.971 -6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.131 0.426 -9.350 1.00 0.00 H new ATOM 0 HB3 TRP A 55 8.555 -0.111 -8.806 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.557 1.969 -7.346 1.00 0.00 H new ATOM 0 HE1 TRP A 55 10.510 3.743 -5.845 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.815 0.587 -7.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 7.805 4.470 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.987 1.774 -6.651 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.484 3.713 -5.223 1.00 0.00 H new ATOM 824 N LEU A 56 8.773 -2.969 -7.748 1.00 0.00 N ATOM 825 CA LEU A 56 8.283 -4.255 -8.317 1.00 0.00 C ATOM 826 C LEU A 56 6.757 -4.241 -8.404 1.00 0.00 C ATOM 827 O LEU A 56 6.071 -3.868 -7.471 1.00 0.00 O ATOM 828 CB LEU A 56 8.734 -5.417 -7.432 1.00 0.00 C ATOM 829 CG LEU A 56 10.135 -5.128 -6.891 1.00 0.00 C ATOM 830 CD1 LEU A 56 10.025 -4.483 -5.511 1.00 0.00 C ATOM 831 CD2 LEU A 56 10.919 -6.436 -6.780 1.00 0.00 C ATOM 0 H LEU A 56 8.310 -2.666 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 56 8.697 -4.380 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.035 -5.553 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.737 -6.345 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 56 10.653 -4.450 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.023 -4.277 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.466 -3.550 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.507 -5.161 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.918 -6.230 -6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.401 -7.114 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.998 -6.897 -7.764 1.00 0.00 H new ATOM 843 N ASN A 57 6.223 -4.637 -9.528 1.00 0.00 N ATOM 844 CA ASN A 57 4.743 -4.657 -9.699 1.00 0.00 C ATOM 845 C ASN A 57 4.263 -6.094 -9.492 1.00 0.00 C ATOM 846 O ASN A 57 4.436 -6.941 -10.345 1.00 0.00 O ATOM 847 CB ASN A 57 4.391 -4.173 -11.112 1.00 0.00 C ATOM 848 CG ASN A 57 2.978 -4.628 -11.491 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.102 -4.858 -10.552 1.00 0.00 O flip ATOM 850 ND2 ASN A 57 2.669 -4.775 -12.656 1.00 0.00 N flip ATOM 0 H ASN A 57 6.754 -4.950 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 57 4.259 -3.999 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.455 -3.086 -11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.112 -4.566 -11.829 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.353 -4.596 -13.391 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.726 -5.078 -12.899 1.00 0.00 H new ATOM 857 N GLY A 58 3.655 -6.376 -8.371 1.00 0.00 N ATOM 858 CA GLY A 58 3.173 -7.768 -8.126 1.00 0.00 C ATOM 859 C GLY A 58 1.725 -7.758 -7.637 1.00 0.00 C ATOM 860 O GLY A 58 0.980 -6.830 -7.880 1.00 0.00 O ATOM 0 H GLY A 58 3.472 -5.710 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.249 -8.351 -9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.809 -8.254 -7.386 1.00 0.00 H new ATOM 864 N TYR A 59 1.324 -8.791 -6.944 1.00 0.00 N ATOM 865 CA TYR A 59 -0.075 -8.855 -6.435 1.00 0.00 C ATOM 866 C TYR A 59 -0.097 -8.843 -4.902 1.00 0.00 C ATOM 867 O TYR A 59 0.315 -9.790 -4.261 1.00 0.00 O ATOM 868 CB TYR A 59 -0.728 -10.151 -6.919 1.00 0.00 C ATOM 869 CG TYR A 59 -2.239 -10.056 -6.704 1.00 0.00 C ATOM 870 CD1 TYR A 59 -2.999 -9.211 -7.481 1.00 0.00 C ATOM 871 CD2 TYR A 59 -2.857 -10.793 -5.715 1.00 0.00 C ATOM 872 CE1 TYR A 59 -4.356 -9.097 -7.272 1.00 0.00 C ATOM 873 CE2 TYR A 59 -4.215 -10.681 -5.504 1.00 0.00 C ATOM 874 CZ TYR A 59 -4.976 -9.831 -6.282 1.00 0.00 C ATOM 875 OH TYR A 59 -6.336 -9.717 -6.071 1.00 0.00 O ATOM 0 H TYR A 59 1.907 -9.594 -6.709 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.618 -7.986 -6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.507 -10.313 -7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.323 -11.003 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.527 -8.632 -8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.273 -11.463 -5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.939 -8.428 -7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.687 -11.262 -4.725 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.603 -10.307 -5.335 1.00 0.00 H new ATOM 885 N ASN A 60 -0.581 -7.785 -4.308 1.00 0.00 N ATOM 886 CA ASN A 60 -0.627 -7.726 -2.820 1.00 0.00 C ATOM 887 C ASN A 60 -1.837 -8.532 -2.336 1.00 0.00 C ATOM 888 O ASN A 60 -2.880 -7.988 -2.026 1.00 0.00 O ATOM 889 CB ASN A 60 -0.770 -6.268 -2.375 1.00 0.00 C ATOM 890 CG ASN A 60 0.608 -5.610 -2.328 1.00 0.00 C ATOM 891 OD1 ASN A 60 1.096 -5.269 -1.268 1.00 0.00 O ATOM 892 ND2 ASN A 60 1.262 -5.415 -3.440 1.00 0.00 N ATOM 0 H ASN A 60 -0.945 -6.962 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 60 0.288 -8.141 -2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.419 -5.728 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.240 -6.221 -1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.183 -4.976 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.853 -5.701 -4.329 1.00 0.00 H new ATOM 899 N GLU A 61 -1.702 -9.830 -2.274 1.00 0.00 N ATOM 900 CA GLU A 61 -2.832 -10.692 -1.816 1.00 0.00 C ATOM 901 C GLU A 61 -3.496 -10.093 -0.572 1.00 0.00 C ATOM 902 O GLU A 61 -4.705 -10.041 -0.469 1.00 0.00 O ATOM 903 CB GLU A 61 -2.298 -12.086 -1.477 1.00 0.00 C ATOM 904 CG GLU A 61 -1.616 -12.686 -2.709 1.00 0.00 C ATOM 905 CD GLU A 61 -2.630 -13.522 -3.494 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.745 -13.057 -3.665 1.00 0.00 O ATOM 907 OE2 GLU A 61 -2.274 -14.612 -3.910 1.00 0.00 O ATOM 0 H GLU A 61 -0.851 -10.334 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.571 -10.755 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.590 -12.025 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.114 -12.730 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.216 -11.892 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.773 -13.307 -2.406 1.00 0.00 H new ATOM 914 N THR A 62 -2.720 -9.649 0.378 1.00 0.00 N ATOM 915 CA THR A 62 -3.319 -9.057 1.610 1.00 0.00 C ATOM 916 C THR A 62 -4.425 -8.072 1.231 1.00 0.00 C ATOM 917 O THR A 62 -5.597 -8.344 1.397 1.00 0.00 O ATOM 918 CB THR A 62 -2.237 -8.326 2.405 1.00 0.00 C ATOM 919 OG1 THR A 62 -1.326 -9.274 2.942 1.00 0.00 O ATOM 920 CG2 THR A 62 -2.889 -7.539 3.543 1.00 0.00 C ATOM 0 H THR A 62 -1.700 -9.670 0.356 1.00 0.00 H new ATOM 0 HA THR A 62 -3.743 -9.855 2.219 1.00 0.00 H new ATOM 0 HB THR A 62 -1.701 -7.639 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.260 -9.151 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.120 -7.017 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.590 -6.814 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.423 -8.225 4.200 1.00 0.00 H new ATOM 928 N THR A 63 -4.059 -6.931 0.724 1.00 0.00 N ATOM 929 CA THR A 63 -5.084 -5.922 0.333 1.00 0.00 C ATOM 930 C THR A 63 -5.619 -6.238 -1.067 1.00 0.00 C ATOM 931 O THR A 63 -6.287 -5.430 -1.681 1.00 0.00 O ATOM 932 CB THR A 63 -4.450 -4.530 0.340 1.00 0.00 C ATOM 933 OG1 THR A 63 -3.194 -4.579 -0.323 1.00 0.00 O ATOM 934 CG2 THR A 63 -4.251 -4.070 1.785 1.00 0.00 C ATOM 0 H THR A 63 -3.092 -6.651 0.562 1.00 0.00 H new ATOM 0 HA THR A 63 -5.910 -5.951 1.043 1.00 0.00 H new ATOM 0 HB THR A 63 -5.104 -3.828 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.011 -3.712 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.799 -3.078 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.216 -4.033 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.596 -4.771 2.303 1.00 0.00 H new ATOM 942 N GLY A 64 -5.331 -7.403 -1.577 1.00 0.00 N ATOM 943 CA GLY A 64 -5.825 -7.766 -2.936 1.00 0.00 C ATOM 944 C GLY A 64 -5.630 -6.585 -3.885 1.00 0.00 C ATOM 945 O GLY A 64 -6.498 -6.258 -4.670 1.00 0.00 O ATOM 0 H GLY A 64 -4.775 -8.120 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.287 -8.638 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.879 -8.038 -2.890 1.00 0.00 H new ATOM 949 N GLU A 65 -4.498 -5.941 -3.821 1.00 0.00 N ATOM 950 CA GLU A 65 -4.254 -4.782 -4.722 1.00 0.00 C ATOM 951 C GLU A 65 -3.003 -5.048 -5.561 1.00 0.00 C ATOM 952 O GLU A 65 -1.911 -5.179 -5.043 1.00 0.00 O ATOM 953 CB GLU A 65 -4.053 -3.517 -3.886 1.00 0.00 C ATOM 954 CG GLU A 65 -5.189 -2.530 -4.171 1.00 0.00 C ATOM 955 CD GLU A 65 -5.343 -2.347 -5.683 1.00 0.00 C ATOM 956 OE1 GLU A 65 -4.666 -1.492 -6.228 1.00 0.00 O ATOM 957 OE2 GLU A 65 -6.140 -3.062 -6.270 1.00 0.00 O ATOM 0 H GLU A 65 -3.733 -6.167 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.111 -4.645 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.033 -3.769 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.092 -3.060 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.121 -2.899 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.978 -1.571 -3.698 1.00 0.00 H new ATOM 964 N ARG A 66 -3.152 -5.127 -6.855 1.00 0.00 N ATOM 965 CA ARG A 66 -1.972 -5.384 -7.729 1.00 0.00 C ATOM 966 C ARG A 66 -1.415 -4.057 -8.243 1.00 0.00 C ATOM 967 O ARG A 66 -2.155 -3.172 -8.626 1.00 0.00 O ATOM 968 CB ARG A 66 -2.394 -6.242 -8.920 1.00 0.00 C ATOM 969 CG ARG A 66 -1.172 -6.984 -9.471 1.00 0.00 C ATOM 970 CD ARG A 66 -1.444 -7.413 -10.913 1.00 0.00 C ATOM 971 NE ARG A 66 -2.510 -8.454 -10.932 1.00 0.00 N ATOM 972 CZ ARG A 66 -2.956 -8.918 -12.068 1.00 0.00 C ATOM 973 NH1 ARG A 66 -2.471 -8.471 -13.196 1.00 0.00 N ATOM 974 NH2 ARG A 66 -3.889 -9.829 -12.077 1.00 0.00 N ATOM 0 H ARG A 66 -4.041 -5.025 -7.345 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.207 -5.905 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.160 -6.956 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.833 -5.615 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.294 -6.340 -9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.955 -7.857 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.751 -6.552 -11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.532 -7.803 -11.365 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.893 -8.805 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.742 -7.758 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.821 -8.835 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.269 -10.178 -11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.238 -10.192 -12.964 1.00 0.00 H new ATOM 988 N GLY A 67 -0.118 -3.908 -8.265 1.00 0.00 N ATOM 989 CA GLY A 67 0.466 -2.630 -8.760 1.00 0.00 C ATOM 990 C GLY A 67 1.957 -2.565 -8.426 1.00 0.00 C ATOM 991 O GLY A 67 2.539 -3.512 -7.928 1.00 0.00 O ATOM 0 H GLY A 67 0.557 -4.611 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.324 -2.550 -9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.053 -1.785 -8.307 1.00 0.00 H new ATOM 995 N ASP A 68 2.573 -1.444 -8.695 1.00 0.00 N ATOM 996 CA ASP A 68 4.025 -1.292 -8.402 1.00 0.00 C ATOM 997 C ASP A 68 4.215 -0.749 -6.985 1.00 0.00 C ATOM 998 O ASP A 68 3.366 -0.064 -6.450 1.00 0.00 O ATOM 999 CB ASP A 68 4.643 -0.317 -9.406 1.00 0.00 C ATOM 1000 CG ASP A 68 5.729 -1.035 -10.209 1.00 0.00 C ATOM 1001 OD1 ASP A 68 6.685 -1.488 -9.602 1.00 0.00 O ATOM 1002 OD2 ASP A 68 5.586 -1.117 -11.418 1.00 0.00 O ATOM 0 H ASP A 68 2.128 -0.624 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 68 4.513 -2.263 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.874 0.068 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.068 0.540 -8.883 1.00 0.00 H new ATOM 1007 N PHE A 69 5.327 -1.054 -6.376 1.00 0.00 N ATOM 1008 CA PHE A 69 5.586 -0.563 -4.993 1.00 0.00 C ATOM 1009 C PHE A 69 7.098 -0.511 -4.754 1.00 0.00 C ATOM 1010 O PHE A 69 7.855 -1.142 -5.465 1.00 0.00 O ATOM 1011 CB PHE A 69 4.948 -1.526 -3.992 1.00 0.00 C ATOM 1012 CG PHE A 69 5.259 -2.958 -4.421 1.00 0.00 C ATOM 1013 CD1 PHE A 69 6.561 -3.419 -4.409 1.00 0.00 C ATOM 1014 CD2 PHE A 69 4.249 -3.802 -4.846 1.00 0.00 C ATOM 1015 CE1 PHE A 69 6.852 -4.702 -4.820 1.00 0.00 C ATOM 1016 CE2 PHE A 69 4.541 -5.087 -5.256 1.00 0.00 C ATOM 1017 CZ PHE A 69 5.843 -5.537 -5.244 1.00 0.00 C ATOM 0 H PHE A 69 6.071 -1.625 -6.778 1.00 0.00 H new ATOM 0 HA PHE A 69 5.160 0.432 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.335 -1.340 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.870 -1.370 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.357 -2.769 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.227 -3.454 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.873 -5.053 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.748 -5.741 -5.587 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.071 -6.542 -5.566 1.00 0.00 H new ATOM 1027 N PRO A 70 7.494 0.241 -3.760 1.00 0.00 N ATOM 1028 CA PRO A 70 8.918 0.386 -3.412 1.00 0.00 C ATOM 1029 C PRO A 70 9.514 -0.982 -3.062 1.00 0.00 C ATOM 1030 O PRO A 70 8.994 -1.701 -2.233 1.00 0.00 O ATOM 1031 CB PRO A 70 8.932 1.314 -2.191 1.00 0.00 C ATOM 1032 CG PRO A 70 7.463 1.711 -1.884 1.00 0.00 C ATOM 1033 CD PRO A 70 6.563 1.004 -2.910 1.00 0.00 C ATOM 0 HA PRO A 70 9.511 0.788 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.380 0.811 -1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.534 2.200 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.191 1.417 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.338 2.792 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.844 0.347 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.990 1.723 -3.496 1.00 0.00 H new ATOM 1041 N GLY A 71 10.600 -1.344 -3.687 1.00 0.00 N ATOM 1042 CA GLY A 71 11.229 -2.664 -3.394 1.00 0.00 C ATOM 1043 C GLY A 71 11.888 -2.627 -2.015 1.00 0.00 C ATOM 1044 O GLY A 71 11.949 -3.619 -1.319 1.00 0.00 O ATOM 0 H GLY A 71 11.081 -0.782 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.476 -3.452 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.971 -2.901 -4.156 1.00 0.00 H new ATOM 1048 N THR A 72 12.388 -1.493 -1.615 1.00 0.00 N ATOM 1049 CA THR A 72 13.040 -1.399 -0.281 1.00 0.00 C ATOM 1050 C THR A 72 11.977 -1.528 0.812 1.00 0.00 C ATOM 1051 O THR A 72 12.285 -1.635 1.982 1.00 0.00 O ATOM 1052 CB THR A 72 13.741 -0.044 -0.150 1.00 0.00 C ATOM 1053 OG1 THR A 72 12.812 0.922 0.320 1.00 0.00 O ATOM 1054 CG2 THR A 72 14.284 0.388 -1.513 1.00 0.00 C ATOM 0 H THR A 72 12.373 -0.627 -2.154 1.00 0.00 H new ATOM 0 HA THR A 72 13.773 -2.199 -0.176 1.00 0.00 H new ATOM 0 HB THR A 72 14.568 -0.129 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.258 1.790 0.406 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.782 1.353 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 72 14.996 -0.354 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.461 0.474 -2.222 1.00 0.00 H new ATOM 1062 N TYR A 73 10.727 -1.516 0.437 1.00 0.00 N ATOM 1063 CA TYR A 73 9.642 -1.635 1.450 1.00 0.00 C ATOM 1064 C TYR A 73 9.190 -3.095 1.565 1.00 0.00 C ATOM 1065 O TYR A 73 8.322 -3.419 2.350 1.00 0.00 O ATOM 1066 CB TYR A 73 8.461 -0.757 1.028 1.00 0.00 C ATOM 1067 CG TYR A 73 8.805 0.714 1.276 1.00 0.00 C ATOM 1068 CD1 TYR A 73 10.009 1.234 0.847 1.00 0.00 C ATOM 1069 CD2 TYR A 73 7.919 1.541 1.935 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.322 2.552 1.072 1.00 0.00 C ATOM 1071 CE2 TYR A 73 8.233 2.864 2.160 1.00 0.00 C ATOM 1072 CZ TYR A 73 9.439 3.381 1.731 1.00 0.00 C ATOM 1073 OH TYR A 73 9.754 4.704 1.959 1.00 0.00 O ATOM 0 H TYR A 73 10.411 -1.429 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 73 10.014 -1.306 2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.234 -0.916 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 73 7.569 -1.033 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.712 0.598 0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.973 1.149 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.269 2.943 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.530 3.501 2.676 1.00 0.00 H new ATOM 0 HH TYR A 73 9.016 5.139 2.435 1.00 0.00 H new ATOM 1083 N VAL A 74 9.769 -3.974 0.784 1.00 0.00 N ATOM 1084 CA VAL A 74 9.375 -5.413 0.848 1.00 0.00 C ATOM 1085 C VAL A 74 10.608 -6.264 1.159 1.00 0.00 C ATOM 1086 O VAL A 74 11.681 -5.752 1.409 1.00 0.00 O ATOM 1087 CB VAL A 74 8.800 -5.863 -0.500 1.00 0.00 C ATOM 1088 CG1 VAL A 74 7.732 -4.879 -0.963 1.00 0.00 C ATOM 1089 CG2 VAL A 74 9.918 -5.922 -1.541 1.00 0.00 C ATOM 0 H VAL A 74 10.498 -3.755 0.105 1.00 0.00 H new ATOM 0 HA VAL A 74 8.622 -5.536 1.627 1.00 0.00 H new ATOM 0 HB VAL A 74 8.355 -6.851 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.328 -5.205 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.930 -4.839 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.173 -3.888 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.507 -6.242 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.366 -4.934 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.679 -6.632 -1.217 1.00 0.00 H new ATOM 1099 N GLU A 75 10.461 -7.561 1.142 1.00 0.00 N ATOM 1100 CA GLU A 75 11.624 -8.447 1.437 1.00 0.00 C ATOM 1101 C GLU A 75 11.388 -9.823 0.814 1.00 0.00 C ATOM 1102 O GLU A 75 10.830 -10.705 1.435 1.00 0.00 O ATOM 1103 CB GLU A 75 11.802 -8.596 2.949 1.00 0.00 C ATOM 1104 CG GLU A 75 10.451 -8.434 3.645 1.00 0.00 C ATOM 1105 CD GLU A 75 10.660 -8.366 5.160 1.00 0.00 C ATOM 1106 OE1 GLU A 75 11.787 -8.548 5.591 1.00 0.00 O ATOM 1107 OE2 GLU A 75 9.690 -8.134 5.863 1.00 0.00 O ATOM 0 H GLU A 75 9.587 -8.045 0.937 1.00 0.00 H new ATOM 0 HA GLU A 75 12.525 -8.002 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.226 -9.573 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.504 -7.848 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.956 -7.528 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.799 -9.271 3.395 1.00 0.00 H new ATOM 1114 N TYR A 76 11.792 -9.992 -0.418 1.00 0.00 N ATOM 1115 CA TYR A 76 11.610 -11.305 -1.116 1.00 0.00 C ATOM 1116 C TYR A 76 11.760 -12.455 -0.115 1.00 0.00 C ATOM 1117 O TYR A 76 12.720 -12.525 0.624 1.00 0.00 O ATOM 1118 CB TYR A 76 12.676 -11.444 -2.204 1.00 0.00 C ATOM 1119 CG TYR A 76 12.448 -12.743 -2.979 1.00 0.00 C ATOM 1120 CD1 TYR A 76 11.413 -12.847 -3.885 1.00 0.00 C ATOM 1121 CD2 TYR A 76 13.279 -13.828 -2.788 1.00 0.00 C ATOM 1122 CE1 TYR A 76 11.211 -14.015 -4.587 1.00 0.00 C ATOM 1123 CE2 TYR A 76 13.076 -14.997 -3.491 1.00 0.00 C ATOM 1124 CZ TYR A 76 12.040 -15.099 -4.397 1.00 0.00 C ATOM 1125 OH TYR A 76 11.838 -16.271 -5.099 1.00 0.00 O ATOM 0 H TYR A 76 12.245 -9.270 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 76 10.615 -11.343 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 76 12.632 -10.591 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.670 -11.445 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.755 -12.005 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.094 -13.761 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 76 10.396 -14.082 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 76 13.733 -15.839 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 76 11.728 -16.067 -6.051 1.00 0.00 H new ATOM 1135 N ILE A 77 10.816 -13.356 -0.084 1.00 0.00 N ATOM 1136 CA ILE A 77 10.903 -14.498 0.867 1.00 0.00 C ATOM 1137 C ILE A 77 10.997 -15.813 0.078 1.00 0.00 C ATOM 1138 O ILE A 77 11.067 -16.884 0.649 1.00 0.00 O ATOM 1139 CB ILE A 77 9.655 -14.484 1.775 1.00 0.00 C ATOM 1140 CG1 ILE A 77 10.013 -13.821 3.105 1.00 0.00 C ATOM 1141 CG2 ILE A 77 9.155 -15.909 2.053 1.00 0.00 C ATOM 1142 CD1 ILE A 77 11.156 -14.595 3.764 1.00 0.00 C ATOM 0 H ILE A 77 9.987 -13.349 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 77 11.793 -14.410 1.490 1.00 0.00 H new ATOM 0 HB ILE A 77 8.866 -13.930 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.308 -12.785 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.143 -13.804 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.275 -15.867 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.895 -16.393 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.940 -16.480 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.414 -14.125 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.844 -15.624 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.026 -14.588 3.107 1.00 0.00 H new ATOM 1154 N GLY A 78 11.005 -15.745 -1.225 1.00 0.00 N ATOM 1155 CA GLY A 78 11.094 -16.997 -2.028 1.00 0.00 C ATOM 1156 C GLY A 78 9.694 -17.413 -2.486 1.00 0.00 C ATOM 1157 O GLY A 78 9.051 -16.722 -3.251 1.00 0.00 O ATOM 0 H GLY A 78 10.954 -14.882 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 78 11.739 -16.842 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.544 -17.792 -1.433 1.00 0.00 H new ATOM 1161 N ARG A 79 9.215 -18.535 -2.021 1.00 0.00 N ATOM 1162 CA ARG A 79 7.856 -18.990 -2.433 1.00 0.00 C ATOM 1163 C ARG A 79 7.065 -19.425 -1.198 1.00 0.00 C ATOM 1164 O ARG A 79 6.308 -20.375 -1.309 1.00 0.00 O ATOM 1165 CB ARG A 79 7.986 -20.171 -3.397 1.00 0.00 C ATOM 1166 CG ARG A 79 8.838 -21.266 -2.751 1.00 0.00 C ATOM 1167 CD ARG A 79 9.785 -21.857 -3.795 1.00 0.00 C ATOM 1168 NE ARG A 79 10.935 -22.509 -3.108 1.00 0.00 N ATOM 1169 CZ ARG A 79 11.788 -23.224 -3.792 1.00 0.00 C ATOM 1170 NH1 ARG A 79 11.639 -23.372 -5.081 1.00 0.00 N ATOM 1171 NH2 ARG A 79 12.795 -23.792 -3.185 1.00 0.00 N ATOM 1172 OXT ARG A 79 7.229 -18.802 -0.163 1.00 0.00 O ATOM 0 H ARG A 79 9.704 -19.155 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 79 7.334 -18.171 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.999 -20.562 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.443 -19.843 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.409 -20.854 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.197 -22.047 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.256 -22.584 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.143 -21.073 -4.462 1.00 0.00 H new ATOM 0 HE ARG A 79 11.057 -22.397 -2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.854 -22.928 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.308 -23.931 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.914 -23.677 -2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.462 -24.351 -3.717 1.00 0.00 H new TER 1186 ARG A 79