USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0577 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.306 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 66:sc= 1.56 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=0.000883 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.36) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= -0.325 (180deg=-1.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.2!) USER MOD Single : A 58 GLN : amide:sc= -2.15! C(o=-2.1!,f=-1.4!) USER MOD Single : A 60 GLN : amide:sc= -0.708 K(o=-0.71,f=-0.019) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 66 ASN : amide:sc= 0.0204 K(o=0.02,f=-0.67) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 16:sc= 0.725 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.204 -12.260 -10.950 1.00 0.00 N ATOM 2 CA GLY A 1 18.559 -11.337 -10.034 1.00 0.00 C ATOM 3 C GLY A 1 18.586 -9.907 -10.538 1.00 0.00 C ATOM 4 O GLY A 1 18.780 -9.665 -11.729 1.00 0.00 O ATOM 0 H1 GLY A 1 18.705 -13.172 -10.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.177 -11.869 -11.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.193 -12.401 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.525 -11.645 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.054 -11.387 -9.064 1.00 0.00 H new ATOM 8 N SER A 2 18.388 -8.958 -9.629 1.00 0.00 N ATOM 9 CA SER A 2 18.385 -7.544 -9.988 1.00 0.00 C ATOM 10 C SER A 2 18.731 -6.676 -8.782 1.00 0.00 C ATOM 11 O SER A 2 18.636 -7.119 -7.637 1.00 0.00 O ATOM 12 CB SER A 2 17.018 -7.141 -10.545 1.00 0.00 C ATOM 13 OG SER A 2 16.629 -7.994 -11.607 1.00 0.00 O ATOM 0 H SER A 2 18.228 -9.142 -8.639 1.00 0.00 H new ATOM 0 HA SER A 2 19.143 -7.388 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.272 -7.180 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.055 -6.110 -10.897 1.00 0.00 H new ATOM 0 HG SER A 2 15.752 -7.717 -11.945 1.00 0.00 H new ATOM 19 N SER A 3 19.134 -5.438 -9.048 1.00 0.00 N ATOM 20 CA SER A 3 19.499 -4.508 -7.986 1.00 0.00 C ATOM 21 C SER A 3 18.360 -4.355 -6.983 1.00 0.00 C ATOM 22 O SER A 3 17.330 -3.752 -7.284 1.00 0.00 O ATOM 23 CB SER A 3 19.861 -3.144 -8.576 1.00 0.00 C ATOM 24 OG SER A 3 20.506 -2.327 -7.615 1.00 0.00 O ATOM 0 H SER A 3 19.216 -5.056 -9.990 1.00 0.00 H new ATOM 0 HA SER A 3 20.367 -4.912 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.513 -3.279 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.959 -2.648 -8.933 1.00 0.00 H new ATOM 0 HG SER A 3 20.728 -1.462 -8.018 1.00 0.00 H new ATOM 30 N GLY A 4 18.553 -4.906 -5.789 1.00 0.00 N ATOM 31 CA GLY A 4 17.534 -4.820 -4.759 1.00 0.00 C ATOM 32 C GLY A 4 16.285 -5.603 -5.112 1.00 0.00 C ATOM 33 O GLY A 4 16.332 -6.526 -5.926 1.00 0.00 O ATOM 0 H GLY A 4 19.397 -5.410 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.940 -5.194 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.271 -3.774 -4.599 1.00 0.00 H new ATOM 37 N SER A 5 15.165 -5.237 -4.497 1.00 0.00 N ATOM 38 CA SER A 5 13.899 -5.916 -4.747 1.00 0.00 C ATOM 39 C SER A 5 13.117 -5.216 -5.855 1.00 0.00 C ATOM 40 O SER A 5 12.638 -4.096 -5.679 1.00 0.00 O ATOM 41 CB SER A 5 13.061 -5.964 -3.468 1.00 0.00 C ATOM 42 OG SER A 5 12.598 -4.673 -3.112 1.00 0.00 O ATOM 0 H SER A 5 15.108 -4.474 -3.822 1.00 0.00 H new ATOM 0 HA SER A 5 14.118 -6.934 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.211 -6.632 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.657 -6.377 -2.654 1.00 0.00 H new ATOM 0 HG SER A 5 11.975 -4.349 -3.795 1.00 0.00 H new ATOM 48 N SER A 6 12.992 -5.886 -6.996 1.00 0.00 N ATOM 49 CA SER A 6 12.272 -5.329 -8.135 1.00 0.00 C ATOM 50 C SER A 6 11.065 -4.518 -7.670 1.00 0.00 C ATOM 51 O SER A 6 10.838 -3.402 -8.134 1.00 0.00 O ATOM 52 CB SER A 6 11.818 -6.447 -9.075 1.00 0.00 C ATOM 53 OG SER A 6 12.837 -6.779 -10.002 1.00 0.00 O ATOM 0 H SER A 6 13.380 -6.816 -7.156 1.00 0.00 H new ATOM 0 HA SER A 6 12.949 -4.665 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.550 -7.329 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.922 -6.134 -9.611 1.00 0.00 H new ATOM 0 HG SER A 6 12.523 -7.497 -10.590 1.00 0.00 H new ATOM 59 N GLY A 7 10.294 -5.090 -6.750 1.00 0.00 N ATOM 60 CA GLY A 7 9.120 -4.408 -6.238 1.00 0.00 C ATOM 61 C GLY A 7 9.430 -3.551 -5.027 1.00 0.00 C ATOM 62 O GLY A 7 10.277 -3.906 -4.208 1.00 0.00 O ATOM 0 H GLY A 7 10.462 -6.013 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.696 -3.782 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.362 -5.145 -5.973 1.00 0.00 H new ATOM 66 N GLN A 8 8.744 -2.418 -4.915 1.00 0.00 N ATOM 67 CA GLN A 8 8.953 -1.507 -3.796 1.00 0.00 C ATOM 68 C GLN A 8 8.054 -1.874 -2.620 1.00 0.00 C ATOM 69 O GLN A 8 6.878 -1.510 -2.587 1.00 0.00 O ATOM 70 CB GLN A 8 8.684 -0.065 -4.228 1.00 0.00 C ATOM 71 CG GLN A 8 9.739 0.496 -5.168 1.00 0.00 C ATOM 72 CD GLN A 8 9.611 1.994 -5.363 1.00 0.00 C ATOM 73 OE1 GLN A 8 8.948 2.456 -6.291 1.00 0.00 O ATOM 74 NE2 GLN A 8 10.247 2.762 -4.486 1.00 0.00 N ATOM 0 H GLN A 8 8.039 -2.109 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 8 9.992 -1.596 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.711 -0.017 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.627 0.566 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.729 0.268 -4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.659 -0.000 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.786 2.336 -3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.197 3.778 -4.567 1.00 0.00 H new ATOM 83 N TYR A 9 8.615 -2.595 -1.656 1.00 0.00 N ATOM 84 CA TYR A 9 7.863 -3.014 -0.479 1.00 0.00 C ATOM 85 C TYR A 9 7.933 -1.955 0.618 1.00 0.00 C ATOM 86 O TYR A 9 9.013 -1.482 0.972 1.00 0.00 O ATOM 87 CB TYR A 9 8.400 -4.346 0.048 1.00 0.00 C ATOM 88 CG TYR A 9 8.519 -5.414 -1.015 1.00 0.00 C ATOM 89 CD1 TYR A 9 7.412 -5.814 -1.753 1.00 0.00 C ATOM 90 CD2 TYR A 9 9.739 -6.022 -1.282 1.00 0.00 C ATOM 91 CE1 TYR A 9 7.516 -6.790 -2.725 1.00 0.00 C ATOM 92 CE2 TYR A 9 9.853 -6.998 -2.254 1.00 0.00 C ATOM 93 CZ TYR A 9 8.739 -7.379 -2.972 1.00 0.00 C ATOM 94 OH TYR A 9 8.847 -8.351 -3.940 1.00 0.00 O ATOM 0 H TYR A 9 9.588 -2.902 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 9 6.821 -3.140 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.380 -4.181 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.743 -4.705 0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.453 -5.354 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.613 -5.727 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.645 -7.090 -3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.809 -7.460 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 9 9.775 -8.662 -3.989 1.00 0.00 H new ATOM 104 N PHE A 10 6.773 -1.587 1.151 1.00 0.00 N ATOM 105 CA PHE A 10 6.701 -0.584 2.207 1.00 0.00 C ATOM 106 C PHE A 10 5.956 -1.127 3.423 1.00 0.00 C ATOM 107 O PHE A 10 5.123 -2.025 3.305 1.00 0.00 O ATOM 108 CB PHE A 10 6.008 0.680 1.693 1.00 0.00 C ATOM 109 CG PHE A 10 6.937 1.631 0.995 1.00 0.00 C ATOM 110 CD1 PHE A 10 7.531 1.284 -0.208 1.00 0.00 C ATOM 111 CD2 PHE A 10 7.216 2.874 1.541 1.00 0.00 C ATOM 112 CE1 PHE A 10 8.386 2.157 -0.853 1.00 0.00 C ATOM 113 CE2 PHE A 10 8.070 3.752 0.900 1.00 0.00 C ATOM 114 CZ PHE A 10 8.657 3.392 -0.297 1.00 0.00 C ATOM 0 H PHE A 10 5.870 -1.968 0.869 1.00 0.00 H new ATOM 0 HA PHE A 10 7.719 -0.335 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.211 0.394 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.538 1.194 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.323 0.319 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.761 3.160 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.842 1.874 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.278 4.718 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.327 4.075 -0.798 1.00 0.00 H new ATOM 124 N VAL A 11 6.264 -0.575 4.593 1.00 0.00 N ATOM 125 CA VAL A 11 5.624 -1.002 5.831 1.00 0.00 C ATOM 126 C VAL A 11 4.766 0.112 6.420 1.00 0.00 C ATOM 127 O VAL A 11 5.159 1.278 6.419 1.00 0.00 O ATOM 128 CB VAL A 11 6.666 -1.441 6.878 1.00 0.00 C ATOM 129 CG1 VAL A 11 7.643 -0.311 7.165 1.00 0.00 C ATOM 130 CG2 VAL A 11 5.977 -1.898 8.155 1.00 0.00 C ATOM 0 H VAL A 11 6.953 0.169 4.709 1.00 0.00 H new ATOM 0 HA VAL A 11 4.989 -1.852 5.582 1.00 0.00 H new ATOM 0 HB VAL A 11 7.229 -2.283 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.371 -0.639 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.160 -0.035 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.099 0.552 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.727 -2.205 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.388 -1.077 8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.321 -2.740 7.933 1.00 0.00 H new ATOM 140 N ALA A 12 3.592 -0.256 6.922 1.00 0.00 N ATOM 141 CA ALA A 12 2.679 0.712 7.517 1.00 0.00 C ATOM 142 C ALA A 12 3.046 0.993 8.970 1.00 0.00 C ATOM 143 O ALA A 12 2.753 0.195 9.861 1.00 0.00 O ATOM 144 CB ALA A 12 1.245 0.214 7.420 1.00 0.00 C ATOM 0 H ALA A 12 3.251 -1.217 6.929 1.00 0.00 H new ATOM 0 HA ALA A 12 2.766 1.645 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.574 0.947 7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.979 0.072 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.153 -0.734 7.950 1.00 0.00 H new ATOM 150 N LEU A 13 3.690 2.132 9.203 1.00 0.00 N ATOM 151 CA LEU A 13 4.099 2.518 10.549 1.00 0.00 C ATOM 152 C LEU A 13 2.889 2.646 11.470 1.00 0.00 C ATOM 153 O LEU A 13 2.951 2.287 12.646 1.00 0.00 O ATOM 154 CB LEU A 13 4.866 3.841 10.510 1.00 0.00 C ATOM 155 CG LEU A 13 5.970 3.946 9.457 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.163 5.393 9.029 1.00 0.00 C ATOM 157 CD2 LEU A 13 7.272 3.368 9.991 1.00 0.00 C ATOM 0 H LEU A 13 3.940 2.804 8.477 1.00 0.00 H new ATOM 0 HA LEU A 13 4.751 1.738 10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.152 4.647 10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.310 4.010 11.491 1.00 0.00 H new ATOM 0 HG LEU A 13 5.670 3.367 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.952 5.449 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.234 5.774 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.441 5.994 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.047 3.451 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.577 3.920 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.126 2.319 10.247 1.00 0.00 H new ATOM 169 N PHE A 14 1.789 3.157 10.926 1.00 0.00 N ATOM 170 CA PHE A 14 0.565 3.330 11.698 1.00 0.00 C ATOM 171 C PHE A 14 -0.639 2.778 10.940 1.00 0.00 C ATOM 172 O PHE A 14 -0.551 2.477 9.749 1.00 0.00 O ATOM 173 CB PHE A 14 0.344 4.810 12.020 1.00 0.00 C ATOM 174 CG PHE A 14 1.590 5.516 12.473 1.00 0.00 C ATOM 175 CD1 PHE A 14 2.159 5.225 13.702 1.00 0.00 C ATOM 176 CD2 PHE A 14 2.191 6.472 11.670 1.00 0.00 C ATOM 177 CE1 PHE A 14 3.305 5.873 14.123 1.00 0.00 C ATOM 178 CE2 PHE A 14 3.338 7.123 12.085 1.00 0.00 C ATOM 179 CZ PHE A 14 3.895 6.824 13.313 1.00 0.00 C ATOM 0 H PHE A 14 1.721 3.458 9.954 1.00 0.00 H new ATOM 0 HA PHE A 14 0.672 2.775 12.630 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.047 5.312 11.135 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.416 4.895 12.797 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.702 4.483 14.339 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.759 6.711 10.710 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.738 5.636 15.083 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.798 7.865 11.449 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.790 7.333 13.639 1.00 0.00 H new ATOM 189 N ASP A 15 -1.762 2.649 11.638 1.00 0.00 N ATOM 190 CA ASP A 15 -2.984 2.134 11.032 1.00 0.00 C ATOM 191 C ASP A 15 -3.759 3.250 10.339 1.00 0.00 C ATOM 192 O ASP A 15 -3.776 4.390 10.805 1.00 0.00 O ATOM 193 CB ASP A 15 -3.863 1.468 12.092 1.00 0.00 C ATOM 194 CG ASP A 15 -3.898 2.250 13.390 1.00 0.00 C ATOM 195 OD1 ASP A 15 -3.928 3.497 13.330 1.00 0.00 O ATOM 196 OD2 ASP A 15 -3.893 1.615 14.466 1.00 0.00 O ATOM 0 H ASP A 15 -1.851 2.894 12.624 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.704 1.392 10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.877 1.365 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.492 0.462 12.287 1.00 0.00 H new ATOM 201 N TYR A 16 -4.398 2.916 9.224 1.00 0.00 N ATOM 202 CA TYR A 16 -5.172 3.891 8.464 1.00 0.00 C ATOM 203 C TYR A 16 -6.486 3.285 7.979 1.00 0.00 C ATOM 204 O TYR A 16 -6.591 2.073 7.794 1.00 0.00 O ATOM 205 CB TYR A 16 -4.361 4.399 7.271 1.00 0.00 C ATOM 206 CG TYR A 16 -5.152 5.284 6.334 1.00 0.00 C ATOM 207 CD1 TYR A 16 -5.344 6.631 6.614 1.00 0.00 C ATOM 208 CD2 TYR A 16 -5.707 4.772 5.167 1.00 0.00 C ATOM 209 CE1 TYR A 16 -6.067 7.442 5.761 1.00 0.00 C ATOM 210 CE2 TYR A 16 -6.430 5.576 4.308 1.00 0.00 C ATOM 211 CZ TYR A 16 -6.607 6.910 4.609 1.00 0.00 C ATOM 212 OH TYR A 16 -7.327 7.715 3.756 1.00 0.00 O ATOM 0 H TYR A 16 -4.396 1.977 8.826 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.400 4.729 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.498 4.954 7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.977 3.545 6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.921 7.051 7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.570 3.728 4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.209 8.487 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.855 5.162 3.405 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.637 7.186 2.991 1.00 0.00 H new ATOM 222 N GLN A 17 -7.484 4.139 7.775 1.00 0.00 N ATOM 223 CA GLN A 17 -8.791 3.688 7.312 1.00 0.00 C ATOM 224 C GLN A 17 -9.214 4.445 6.057 1.00 0.00 C ATOM 225 O GLN A 17 -9.527 5.633 6.113 1.00 0.00 O ATOM 226 CB GLN A 17 -9.838 3.875 8.411 1.00 0.00 C ATOM 227 CG GLN A 17 -9.634 2.960 9.608 1.00 0.00 C ATOM 228 CD GLN A 17 -8.722 3.565 10.657 1.00 0.00 C ATOM 229 OE1 GLN A 17 -8.168 4.648 10.465 1.00 0.00 O ATOM 230 NE2 GLN A 17 -8.563 2.868 11.776 1.00 0.00 N ATOM 0 H GLN A 17 -7.413 5.146 7.923 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.716 2.628 7.068 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.817 4.911 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.828 3.696 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.601 2.736 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.214 2.013 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.041 1.975 11.893 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.962 3.226 12.519 1.00 0.00 H new ATOM 239 N ALA A 18 -9.219 3.748 4.925 1.00 0.00 N ATOM 240 CA ALA A 18 -9.605 4.353 3.657 1.00 0.00 C ATOM 241 C ALA A 18 -10.975 5.014 3.758 1.00 0.00 C ATOM 242 O ALA A 18 -12.001 4.334 3.793 1.00 0.00 O ATOM 243 CB ALA A 18 -9.600 3.309 2.550 1.00 0.00 C ATOM 0 H ALA A 18 -8.960 2.764 4.861 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.875 5.126 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.890 3.775 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.600 2.887 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.306 2.516 2.795 1.00 0.00 H new ATOM 249 N ARG A 19 -10.985 6.342 3.806 1.00 0.00 N ATOM 250 CA ARG A 19 -12.230 7.094 3.906 1.00 0.00 C ATOM 251 C ARG A 19 -13.183 6.720 2.774 1.00 0.00 C ATOM 252 O ARG A 19 -14.364 6.454 3.003 1.00 0.00 O ATOM 253 CB ARG A 19 -11.947 8.597 3.873 1.00 0.00 C ATOM 254 CG ARG A 19 -11.218 9.106 5.105 1.00 0.00 C ATOM 255 CD ARG A 19 -10.989 10.608 5.035 1.00 0.00 C ATOM 256 NE ARG A 19 -9.745 10.941 4.346 1.00 0.00 N ATOM 257 CZ ARG A 19 -8.540 10.731 4.863 1.00 0.00 C ATOM 258 NH1 ARG A 19 -8.416 10.191 6.068 1.00 0.00 N ATOM 259 NH2 ARG A 19 -7.454 11.060 4.174 1.00 0.00 N ATOM 0 H ARG A 19 -10.145 6.919 3.777 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.703 6.841 4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.353 8.827 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.890 9.134 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.797 8.866 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.260 8.595 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.826 11.079 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.965 11.018 6.045 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.805 11.358 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.248 9.936 6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.489 10.031 6.462 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.545 11.475 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.529 10.898 4.572 1.00 0.00 H new ATOM 273 N THR A 20 -12.663 6.701 1.551 1.00 0.00 N ATOM 274 CA THR A 20 -13.466 6.362 0.383 1.00 0.00 C ATOM 275 C THR A 20 -13.084 4.993 -0.168 1.00 0.00 C ATOM 276 O THR A 20 -12.073 4.414 0.228 1.00 0.00 O ATOM 277 CB THR A 20 -13.311 7.414 -0.731 1.00 0.00 C ATOM 278 OG1 THR A 20 -11.943 7.485 -1.150 1.00 0.00 O ATOM 279 CG2 THR A 20 -13.771 8.782 -0.252 1.00 0.00 C ATOM 0 H THR A 20 -11.688 6.917 1.344 1.00 0.00 H new ATOM 0 HA THR A 20 -14.506 6.342 0.710 1.00 0.00 H new ATOM 0 HB THR A 20 -13.934 7.114 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.853 8.155 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.652 9.508 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.820 8.732 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.171 9.088 0.605 1.00 0.00 H new ATOM 287 N ALA A 21 -13.898 4.482 -1.086 1.00 0.00 N ATOM 288 CA ALA A 21 -13.643 3.182 -1.694 1.00 0.00 C ATOM 289 C ALA A 21 -12.376 3.212 -2.542 1.00 0.00 C ATOM 290 O ALA A 21 -11.618 2.243 -2.574 1.00 0.00 O ATOM 291 CB ALA A 21 -14.834 2.751 -2.537 1.00 0.00 C ATOM 0 H ALA A 21 -14.739 4.948 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.497 2.457 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.630 1.779 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.720 2.681 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.007 3.484 -3.325 1.00 0.00 H new ATOM 297 N GLU A 22 -12.154 4.329 -3.227 1.00 0.00 N ATOM 298 CA GLU A 22 -10.978 4.482 -4.076 1.00 0.00 C ATOM 299 C GLU A 22 -9.702 4.177 -3.298 1.00 0.00 C ATOM 300 O GLU A 22 -8.804 3.500 -3.799 1.00 0.00 O ATOM 301 CB GLU A 22 -10.915 5.901 -4.645 1.00 0.00 C ATOM 302 CG GLU A 22 -11.643 6.059 -5.970 1.00 0.00 C ATOM 303 CD GLU A 22 -11.329 4.940 -6.944 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.212 4.387 -6.874 1.00 0.00 O ATOM 305 OE2 GLU A 22 -12.203 4.617 -7.777 1.00 0.00 O ATOM 0 H GLU A 22 -12.772 5.140 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.060 3.771 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.343 6.593 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.871 6.184 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.717 6.087 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.370 7.014 -6.419 1.00 0.00 H new ATOM 312 N ASP A 23 -9.628 4.682 -2.072 1.00 0.00 N ATOM 313 CA ASP A 23 -8.463 4.463 -1.223 1.00 0.00 C ATOM 314 C ASP A 23 -8.441 3.036 -0.686 1.00 0.00 C ATOM 315 O ASP A 23 -9.397 2.280 -0.863 1.00 0.00 O ATOM 316 CB ASP A 23 -8.457 5.458 -0.062 1.00 0.00 C ATOM 317 CG ASP A 23 -8.129 6.869 -0.509 1.00 0.00 C ATOM 318 OD1 ASP A 23 -6.939 7.150 -0.761 1.00 0.00 O ATOM 319 OD2 ASP A 23 -9.063 7.693 -0.607 1.00 0.00 O ATOM 0 H ASP A 23 -10.362 5.246 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.570 4.617 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.433 5.452 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.729 5.138 0.683 1.00 0.00 H new ATOM 324 N LEU A 24 -7.344 2.672 -0.031 1.00 0.00 N ATOM 325 CA LEU A 24 -7.197 1.334 0.531 1.00 0.00 C ATOM 326 C LEU A 24 -6.972 1.398 2.039 1.00 0.00 C ATOM 327 O LEU A 24 -6.336 2.324 2.542 1.00 0.00 O ATOM 328 CB LEU A 24 -6.032 0.603 -0.139 1.00 0.00 C ATOM 329 CG LEU A 24 -5.867 -0.873 0.226 1.00 0.00 C ATOM 330 CD1 LEU A 24 -6.883 -1.724 -0.519 1.00 0.00 C ATOM 331 CD2 LEU A 24 -4.451 -1.342 -0.077 1.00 0.00 C ATOM 0 H LEU A 24 -6.543 3.285 0.124 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.119 0.785 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.155 0.678 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.109 1.124 0.113 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.045 -0.985 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.750 -2.771 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.890 -1.405 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.738 -1.607 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.352 -2.394 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.245 -1.215 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.741 -0.753 0.503 1.00 0.00 H new ATOM 343 N SER A 25 -7.497 0.408 2.753 1.00 0.00 N ATOM 344 CA SER A 25 -7.355 0.353 4.203 1.00 0.00 C ATOM 345 C SER A 25 -6.221 -0.586 4.603 1.00 0.00 C ATOM 346 O SER A 25 -5.931 -1.559 3.906 1.00 0.00 O ATOM 347 CB SER A 25 -8.664 -0.107 4.848 1.00 0.00 C ATOM 348 OG SER A 25 -9.144 -1.293 4.238 1.00 0.00 O ATOM 0 H SER A 25 -8.025 -0.367 2.351 1.00 0.00 H new ATOM 0 HA SER A 25 -7.116 1.356 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.507 -0.280 5.913 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.413 0.680 4.759 1.00 0.00 H new ATOM 0 HG SER A 25 -9.980 -1.567 4.669 1.00 0.00 H new ATOM 354 N PHE A 26 -5.583 -0.287 5.729 1.00 0.00 N ATOM 355 CA PHE A 26 -4.479 -1.103 6.222 1.00 0.00 C ATOM 356 C PHE A 26 -4.206 -0.815 7.696 1.00 0.00 C ATOM 357 O PHE A 26 -4.704 0.165 8.250 1.00 0.00 O ATOM 358 CB PHE A 26 -3.217 -0.843 5.398 1.00 0.00 C ATOM 359 CG PHE A 26 -2.802 0.600 5.375 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.431 1.502 4.532 1.00 0.00 C ATOM 361 CD2 PHE A 26 -1.783 1.055 6.196 1.00 0.00 C ATOM 362 CE1 PHE A 26 -3.053 2.831 4.509 1.00 0.00 C ATOM 363 CE2 PHE A 26 -1.400 2.383 6.177 1.00 0.00 C ATOM 364 CZ PHE A 26 -2.035 3.272 5.332 1.00 0.00 C ATOM 0 H PHE A 26 -5.811 0.514 6.318 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.761 -2.151 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.400 -1.441 5.801 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.385 -1.181 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.226 1.162 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.282 0.364 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.553 3.524 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.605 2.725 6.823 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.736 4.310 5.315 1.00 0.00 H new ATOM 374 N ARG A 27 -3.413 -1.677 8.324 1.00 0.00 N ATOM 375 CA ARG A 27 -3.074 -1.517 9.733 1.00 0.00 C ATOM 376 C ARG A 27 -1.562 -1.537 9.935 1.00 0.00 C ATOM 377 O ARG A 27 -0.817 -2.005 9.074 1.00 0.00 O ATOM 378 CB ARG A 27 -3.725 -2.624 10.564 1.00 0.00 C ATOM 379 CG ARG A 27 -5.241 -2.650 10.463 1.00 0.00 C ATOM 380 CD ARG A 27 -5.870 -3.302 11.685 1.00 0.00 C ATOM 381 NE ARG A 27 -5.416 -4.679 11.865 1.00 0.00 N ATOM 382 CZ ARG A 27 -6.004 -5.545 12.683 1.00 0.00 C ATOM 383 NH1 ARG A 27 -7.064 -5.179 13.391 1.00 0.00 N ATOM 384 NH2 ARG A 27 -5.533 -6.780 12.793 1.00 0.00 N ATOM 0 H ARG A 27 -2.993 -2.493 7.879 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.454 -0.551 10.065 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.331 -3.588 10.242 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.441 -2.497 11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.617 -1.632 10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.538 -3.194 9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.624 -2.720 12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.955 -3.288 11.585 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.604 -4.992 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.430 -4.230 13.308 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.513 -5.846 14.018 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.719 -7.066 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.985 -7.444 13.421 1.00 0.00 H new ATOM 398 N ALA A 28 -1.116 -1.024 11.077 1.00 0.00 N ATOM 399 CA ALA A 28 0.307 -0.985 11.392 1.00 0.00 C ATOM 400 C ALA A 28 0.965 -2.335 11.131 1.00 0.00 C ATOM 401 O ALA A 28 0.632 -3.333 11.769 1.00 0.00 O ATOM 402 CB ALA A 28 0.515 -0.565 12.840 1.00 0.00 C ATOM 0 H ALA A 28 -1.719 -0.630 11.799 1.00 0.00 H new ATOM 0 HA ALA A 28 0.778 -0.249 10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.582 -0.540 13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.089 0.426 12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.024 -1.280 13.500 1.00 0.00 H new ATOM 408 N GLY A 29 1.901 -2.359 10.187 1.00 0.00 N ATOM 409 CA GLY A 29 2.590 -3.593 9.857 1.00 0.00 C ATOM 410 C GLY A 29 2.139 -4.173 8.532 1.00 0.00 C ATOM 411 O GLY A 29 2.952 -4.684 7.761 1.00 0.00 O ATOM 0 H GLY A 29 2.194 -1.546 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.664 -3.408 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.418 -4.324 10.647 1.00 0.00 H new ATOM 415 N ASP A 30 0.840 -4.097 8.266 1.00 0.00 N ATOM 416 CA ASP A 30 0.281 -4.619 7.024 1.00 0.00 C ATOM 417 C ASP A 30 1.251 -4.417 5.864 1.00 0.00 C ATOM 418 O ASP A 30 1.491 -3.290 5.431 1.00 0.00 O ATOM 419 CB ASP A 30 -1.053 -3.938 6.714 1.00 0.00 C ATOM 420 CG ASP A 30 -2.227 -4.639 7.369 1.00 0.00 C ATOM 421 OD1 ASP A 30 -2.222 -4.770 8.610 1.00 0.00 O ATOM 422 OD2 ASP A 30 -3.150 -5.059 6.639 1.00 0.00 O ATOM 0 H ASP A 30 0.154 -3.679 8.894 1.00 0.00 H new ATOM 0 HA ASP A 30 0.113 -5.688 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.017 -2.903 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.204 -3.915 5.635 1.00 0.00 H new ATOM 427 N LYS A 31 1.808 -5.516 5.367 1.00 0.00 N ATOM 428 CA LYS A 31 2.752 -5.461 4.257 1.00 0.00 C ATOM 429 C LYS A 31 2.068 -4.974 2.984 1.00 0.00 C ATOM 430 O LYS A 31 1.167 -5.631 2.460 1.00 0.00 O ATOM 431 CB LYS A 31 3.372 -6.840 4.020 1.00 0.00 C ATOM 432 CG LYS A 31 4.478 -7.186 5.001 1.00 0.00 C ATOM 433 CD LYS A 31 5.761 -6.438 4.683 1.00 0.00 C ATOM 434 CE LYS A 31 6.896 -6.857 5.605 1.00 0.00 C ATOM 435 NZ LYS A 31 7.625 -8.045 5.082 1.00 0.00 N ATOM 0 H LYS A 31 1.622 -6.456 5.716 1.00 0.00 H new ATOM 0 HA LYS A 31 3.540 -4.754 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.590 -7.597 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.771 -6.880 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.156 -6.943 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.666 -8.259 4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.045 -6.625 3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.591 -5.366 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.592 -6.027 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.496 -7.082 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.391 -8.299 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.966 -8.845 4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.028 -7.822 4.150 1.00 0.00 H new ATOM 449 N LEU A 32 2.501 -3.819 2.490 1.00 0.00 N ATOM 450 CA LEU A 32 1.931 -3.244 1.277 1.00 0.00 C ATOM 451 C LEU A 32 3.023 -2.920 0.263 1.00 0.00 C ATOM 452 O LEU A 32 4.053 -2.343 0.610 1.00 0.00 O ATOM 453 CB LEU A 32 1.138 -1.980 1.611 1.00 0.00 C ATOM 454 CG LEU A 32 0.024 -2.141 2.646 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.264 -0.814 3.332 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.236 -2.689 1.993 1.00 0.00 C ATOM 0 H LEU A 32 3.245 -3.263 2.911 1.00 0.00 H new ATOM 0 HA LEU A 32 1.259 -3.981 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.834 -1.223 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.698 -1.597 0.690 1.00 0.00 H new ATOM 0 HG LEU A 32 0.357 -2.853 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.059 -0.948 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.637 -0.461 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.576 -0.080 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.018 -2.797 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.572 -2.002 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.022 -3.661 1.549 1.00 0.00 H new ATOM 468 N GLN A 33 2.789 -3.292 -0.991 1.00 0.00 N ATOM 469 CA GLN A 33 3.753 -3.039 -2.056 1.00 0.00 C ATOM 470 C GLN A 33 3.330 -1.841 -2.899 1.00 0.00 C ATOM 471 O GLN A 33 2.222 -1.805 -3.434 1.00 0.00 O ATOM 472 CB GLN A 33 3.901 -4.276 -2.943 1.00 0.00 C ATOM 473 CG GLN A 33 4.735 -4.033 -4.191 1.00 0.00 C ATOM 474 CD GLN A 33 4.372 -4.970 -5.326 1.00 0.00 C ATOM 475 OE1 GLN A 33 3.222 -5.390 -5.457 1.00 0.00 O ATOM 476 NE2 GLN A 33 5.354 -5.302 -6.156 1.00 0.00 N ATOM 0 H GLN A 33 1.940 -3.770 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 33 4.715 -2.814 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.357 -5.077 -2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.910 -4.621 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.600 -3.002 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.790 -4.155 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.293 -4.931 -6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.170 -5.928 -6.940 1.00 0.00 H new ATOM 485 N VAL A 34 4.221 -0.861 -3.014 1.00 0.00 N ATOM 486 CA VAL A 34 3.940 0.339 -3.794 1.00 0.00 C ATOM 487 C VAL A 34 4.057 0.063 -5.288 1.00 0.00 C ATOM 488 O VAL A 34 5.103 -0.372 -5.771 1.00 0.00 O ATOM 489 CB VAL A 34 4.895 1.488 -3.419 1.00 0.00 C ATOM 490 CG1 VAL A 34 4.633 2.707 -4.290 1.00 0.00 C ATOM 491 CG2 VAL A 34 4.757 1.836 -1.945 1.00 0.00 C ATOM 0 H VAL A 34 5.143 -0.874 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 34 2.917 0.636 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 34 5.919 1.158 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.317 3.508 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.788 2.446 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.605 3.042 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.439 2.650 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.733 2.146 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.000 0.962 -1.341 1.00 0.00 H new ATOM 501 N LEU A 35 2.976 0.320 -6.017 1.00 0.00 N ATOM 502 CA LEU A 35 2.956 0.100 -7.459 1.00 0.00 C ATOM 503 C LEU A 35 3.167 1.409 -8.213 1.00 0.00 C ATOM 504 O LEU A 35 4.088 1.531 -9.020 1.00 0.00 O ATOM 505 CB LEU A 35 1.630 -0.536 -7.880 1.00 0.00 C ATOM 506 CG LEU A 35 1.188 -1.759 -7.076 1.00 0.00 C ATOM 507 CD1 LEU A 35 -0.242 -2.141 -7.428 1.00 0.00 C ATOM 508 CD2 LEU A 35 2.130 -2.929 -7.322 1.00 0.00 C ATOM 0 H LEU A 35 2.102 0.681 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 35 3.772 -0.578 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.849 0.221 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.704 -0.823 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 35 1.225 -1.506 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.539 -3.013 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.908 -1.309 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.305 -2.375 -8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.800 -3.790 -6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.126 -3.183 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.140 -2.653 -7.019 1.00 0.00 H new ATOM 520 N ASP A 36 2.309 2.386 -7.942 1.00 0.00 N ATOM 521 CA ASP A 36 2.402 3.688 -8.592 1.00 0.00 C ATOM 522 C ASP A 36 2.920 4.744 -7.621 1.00 0.00 C ATOM 523 O ASP A 36 2.492 4.807 -6.468 1.00 0.00 O ATOM 524 CB ASP A 36 1.038 4.108 -9.141 1.00 0.00 C ATOM 525 CG ASP A 36 1.154 5.006 -10.357 1.00 0.00 C ATOM 526 OD1 ASP A 36 1.750 4.569 -11.364 1.00 0.00 O ATOM 527 OD2 ASP A 36 0.648 6.146 -10.302 1.00 0.00 O ATOM 0 H ASP A 36 1.541 2.301 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 36 3.107 3.603 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.466 3.218 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.480 4.627 -8.362 1.00 0.00 H new ATOM 532 N THR A 37 3.846 5.573 -8.093 1.00 0.00 N ATOM 533 CA THR A 37 4.424 6.625 -7.267 1.00 0.00 C ATOM 534 C THR A 37 4.375 7.973 -7.978 1.00 0.00 C ATOM 535 O THR A 37 5.307 8.770 -7.882 1.00 0.00 O ATOM 536 CB THR A 37 5.884 6.308 -6.894 1.00 0.00 C ATOM 537 OG1 THR A 37 6.662 6.111 -8.080 1.00 0.00 O ATOM 538 CG2 THR A 37 5.962 5.065 -6.019 1.00 0.00 C ATOM 0 H THR A 37 4.212 5.536 -9.044 1.00 0.00 H new ATOM 0 HA THR A 37 3.826 6.675 -6.357 1.00 0.00 H new ATOM 0 HB THR A 37 6.284 7.154 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.589 5.912 -7.834 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.003 4.861 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.394 5.228 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.545 4.214 -6.558 1.00 0.00 H new ATOM 546 N SER A 38 3.280 8.221 -8.690 1.00 0.00 N ATOM 547 CA SER A 38 3.111 9.472 -9.420 1.00 0.00 C ATOM 548 C SER A 38 2.409 10.515 -8.556 1.00 0.00 C ATOM 549 O SER A 38 2.938 11.601 -8.321 1.00 0.00 O ATOM 550 CB SER A 38 2.311 9.234 -10.703 1.00 0.00 C ATOM 551 OG SER A 38 2.194 10.427 -11.459 1.00 0.00 O ATOM 0 H SER A 38 2.497 7.573 -8.777 1.00 0.00 H new ATOM 0 HA SER A 38 4.100 9.848 -9.681 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.799 8.466 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.318 8.860 -10.452 1.00 0.00 H new ATOM 0 HG SER A 38 1.680 10.249 -12.274 1.00 0.00 H new ATOM 557 N HIS A 39 1.213 10.176 -8.084 1.00 0.00 N ATOM 558 CA HIS A 39 0.437 11.081 -7.245 1.00 0.00 C ATOM 559 C HIS A 39 1.127 11.303 -5.902 1.00 0.00 C ATOM 560 O HIS A 39 0.879 10.577 -4.940 1.00 0.00 O ATOM 561 CB HIS A 39 -0.970 10.526 -7.023 1.00 0.00 C ATOM 562 CG HIS A 39 -1.889 11.483 -6.330 1.00 0.00 C ATOM 563 ND1 HIS A 39 -3.263 11.380 -6.384 1.00 0.00 N ATOM 564 CD2 HIS A 39 -1.625 12.566 -5.561 1.00 0.00 C ATOM 565 CE1 HIS A 39 -3.804 12.359 -5.681 1.00 0.00 C ATOM 566 NE2 HIS A 39 -2.831 13.093 -5.171 1.00 0.00 N ATOM 0 H HIS A 39 0.761 9.281 -8.269 1.00 0.00 H new ATOM 0 HA HIS A 39 0.364 12.039 -7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.401 10.255 -7.987 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.902 9.610 -6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.647 12.945 -5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.862 12.530 -5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.956 13.917 -4.583 1.00 0.00 H new ATOM 575 N GLU A 40 1.995 12.308 -5.846 1.00 0.00 N ATOM 576 CA GLU A 40 2.721 12.623 -4.622 1.00 0.00 C ATOM 577 C GLU A 40 1.807 12.515 -3.404 1.00 0.00 C ATOM 578 O GLU A 40 0.666 12.975 -3.429 1.00 0.00 O ATOM 579 CB GLU A 40 3.318 14.030 -4.703 1.00 0.00 C ATOM 580 CG GLU A 40 4.522 14.233 -3.800 1.00 0.00 C ATOM 581 CD GLU A 40 4.234 13.876 -2.354 1.00 0.00 C ATOM 582 OE1 GLU A 40 3.520 14.650 -1.683 1.00 0.00 O ATOM 583 OE2 GLU A 40 4.724 12.823 -1.894 1.00 0.00 O ATOM 0 H GLU A 40 2.212 12.918 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 40 3.529 11.900 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.609 14.233 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.550 14.757 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.350 13.624 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.843 15.273 -3.857 1.00 0.00 H new ATOM 590 N GLY A 41 2.319 11.904 -2.340 1.00 0.00 N ATOM 591 CA GLY A 41 1.536 11.746 -1.128 1.00 0.00 C ATOM 592 C GLY A 41 0.710 10.475 -1.133 1.00 0.00 C ATOM 593 O GLY A 41 0.740 9.704 -0.174 1.00 0.00 O ATOM 0 H GLY A 41 3.261 11.516 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.203 11.738 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.875 12.605 -1.012 1.00 0.00 H new ATOM 597 N TRP A 42 -0.030 10.257 -2.214 1.00 0.00 N ATOM 598 CA TRP A 42 -0.870 9.071 -2.338 1.00 0.00 C ATOM 599 C TRP A 42 -0.281 8.090 -3.345 1.00 0.00 C ATOM 600 O TRP A 42 -0.143 8.408 -4.527 1.00 0.00 O ATOM 601 CB TRP A 42 -2.286 9.466 -2.760 1.00 0.00 C ATOM 602 CG TRP A 42 -3.009 10.278 -1.729 1.00 0.00 C ATOM 603 CD1 TRP A 42 -3.047 11.641 -1.638 1.00 0.00 C ATOM 604 CD2 TRP A 42 -3.795 9.780 -0.641 1.00 0.00 C ATOM 605 NE1 TRP A 42 -3.809 12.019 -0.559 1.00 0.00 N ATOM 606 CE2 TRP A 42 -4.280 10.896 0.068 1.00 0.00 C ATOM 607 CE3 TRP A 42 -4.137 8.499 -0.198 1.00 0.00 C ATOM 608 CZ2 TRP A 42 -5.088 10.768 1.195 1.00 0.00 C ATOM 609 CZ3 TRP A 42 -4.939 8.374 0.920 1.00 0.00 C ATOM 610 CH2 TRP A 42 -5.408 9.502 1.606 1.00 0.00 C ATOM 0 H TRP A 42 -0.066 10.885 -3.017 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.912 8.582 -1.365 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.235 10.034 -3.689 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.860 8.563 -2.969 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.551 12.321 -2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.994 12.980 -0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.781 7.623 -0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.449 11.636 1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.209 7.389 1.271 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.034 9.370 2.476 1.00 0.00 H new ATOM 621 N TRP A 43 0.066 6.899 -2.871 1.00 0.00 N ATOM 622 CA TRP A 43 0.640 5.871 -3.733 1.00 0.00 C ATOM 623 C TRP A 43 -0.328 4.707 -3.912 1.00 0.00 C ATOM 624 O TRP A 43 -1.133 4.415 -3.026 1.00 0.00 O ATOM 625 CB TRP A 43 1.961 5.368 -3.148 1.00 0.00 C ATOM 626 CG TRP A 43 3.033 6.415 -3.113 1.00 0.00 C ATOM 627 CD1 TRP A 43 3.096 7.549 -3.871 1.00 0.00 C ATOM 628 CD2 TRP A 43 4.195 6.424 -2.277 1.00 0.00 C ATOM 629 NE1 TRP A 43 4.228 8.262 -3.557 1.00 0.00 N ATOM 630 CE2 TRP A 43 4.918 7.593 -2.581 1.00 0.00 C ATOM 631 CE3 TRP A 43 4.694 5.558 -1.300 1.00 0.00 C ATOM 632 CZ2 TRP A 43 6.113 7.916 -1.944 1.00 0.00 C ATOM 633 CZ3 TRP A 43 5.880 5.880 -0.668 1.00 0.00 C ATOM 634 CH2 TRP A 43 6.579 7.051 -0.991 1.00 0.00 C ATOM 0 H TRP A 43 -0.040 6.621 -1.895 1.00 0.00 H new ATOM 0 HA TRP A 43 0.828 6.314 -4.711 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.786 5.003 -2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.311 4.520 -3.736 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.364 7.842 -4.609 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.509 9.146 -3.982 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.162 4.654 -1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.653 8.817 -2.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.275 5.218 0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.503 7.275 -0.478 1.00 0.00 H new ATOM 645 N LEU A 44 -0.244 4.046 -5.060 1.00 0.00 N ATOM 646 CA LEU A 44 -1.114 2.912 -5.355 1.00 0.00 C ATOM 647 C LEU A 44 -0.433 1.595 -4.994 1.00 0.00 C ATOM 648 O LEU A 44 0.372 1.070 -5.762 1.00 0.00 O ATOM 649 CB LEU A 44 -1.499 2.910 -6.836 1.00 0.00 C ATOM 650 CG LEU A 44 -2.319 1.712 -7.315 1.00 0.00 C ATOM 651 CD1 LEU A 44 -3.760 1.829 -6.842 1.00 0.00 C ATOM 652 CD2 LEU A 44 -2.261 1.597 -8.831 1.00 0.00 C ATOM 0 H LEU A 44 0.417 4.275 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.016 3.012 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.064 3.818 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.585 2.960 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.889 0.807 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.329 0.968 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.784 1.861 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.201 2.742 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.850 0.739 -9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.665 2.504 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.226 1.466 -9.147 1.00 0.00 H new ATOM 664 N ALA A 45 -0.764 1.067 -3.820 1.00 0.00 N ATOM 665 CA ALA A 45 -0.188 -0.190 -3.358 1.00 0.00 C ATOM 666 C ALA A 45 -1.253 -1.276 -3.256 1.00 0.00 C ATOM 667 O ALA A 45 -2.450 -0.988 -3.262 1.00 0.00 O ATOM 668 CB ALA A 45 0.500 0.006 -2.015 1.00 0.00 C ATOM 0 H ALA A 45 -1.428 1.490 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 45 0.553 -0.512 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.925 -0.941 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.295 0.745 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.227 0.355 -1.281 1.00 0.00 H new ATOM 674 N ARG A 46 -0.809 -2.526 -3.161 1.00 0.00 N ATOM 675 CA ARG A 46 -1.725 -3.656 -3.059 1.00 0.00 C ATOM 676 C ARG A 46 -1.394 -4.516 -1.844 1.00 0.00 C ATOM 677 O ARG A 46 -0.242 -4.581 -1.411 1.00 0.00 O ATOM 678 CB ARG A 46 -1.664 -4.505 -4.330 1.00 0.00 C ATOM 679 CG ARG A 46 -0.417 -5.369 -4.427 1.00 0.00 C ATOM 680 CD ARG A 46 -0.472 -6.294 -5.632 1.00 0.00 C ATOM 681 NE ARG A 46 -0.181 -5.588 -6.877 1.00 0.00 N ATOM 682 CZ ARG A 46 -0.512 -6.049 -8.078 1.00 0.00 C ATOM 683 NH1 ARG A 46 -1.143 -7.209 -8.196 1.00 0.00 N ATOM 684 NH2 ARG A 46 -0.214 -5.348 -9.165 1.00 0.00 N ATOM 0 H ARG A 46 0.179 -2.781 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.735 -3.263 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.544 -5.147 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.709 -3.848 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.464 -4.731 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.311 -5.960 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.244 -7.105 -5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.461 -6.748 -5.695 1.00 0.00 H new ATOM 0 HE ARG A 46 0.303 -4.692 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.376 -7.750 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.396 -7.560 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.270 -4.454 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.469 -5.703 -10.087 1.00 0.00 H new ATOM 698 N HIS A 47 -2.410 -5.175 -1.296 1.00 0.00 N ATOM 699 CA HIS A 47 -2.227 -6.031 -0.130 1.00 0.00 C ATOM 700 C HIS A 47 -1.262 -7.172 -0.440 1.00 0.00 C ATOM 701 O HIS A 47 -1.365 -7.820 -1.482 1.00 0.00 O ATOM 702 CB HIS A 47 -3.571 -6.596 0.330 1.00 0.00 C ATOM 703 CG HIS A 47 -4.273 -5.732 1.332 1.00 0.00 C ATOM 704 ND1 HIS A 47 -3.798 -5.522 2.610 1.00 0.00 N ATOM 705 CD2 HIS A 47 -5.420 -5.020 1.237 1.00 0.00 C ATOM 706 CE1 HIS A 47 -4.623 -4.720 3.258 1.00 0.00 C ATOM 707 NE2 HIS A 47 -5.616 -4.401 2.447 1.00 0.00 N ATOM 0 H HIS A 47 -3.369 -5.132 -1.641 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.802 -5.426 0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.216 -6.729 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.412 -7.584 0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.062 -4.951 0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.506 -4.382 4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.401 -3.793 2.682 1.00 0.00 H new ATOM 716 N LEU A 48 -0.324 -7.410 0.470 1.00 0.00 N ATOM 717 CA LEU A 48 0.661 -8.472 0.294 1.00 0.00 C ATOM 718 C LEU A 48 0.325 -9.676 1.168 1.00 0.00 C ATOM 719 O LEU A 48 0.484 -10.822 0.749 1.00 0.00 O ATOM 720 CB LEU A 48 2.061 -7.957 0.632 1.00 0.00 C ATOM 721 CG LEU A 48 2.641 -6.914 -0.325 1.00 0.00 C ATOM 722 CD1 LEU A 48 3.841 -6.223 0.304 1.00 0.00 C ATOM 723 CD2 LEU A 48 3.029 -7.561 -1.647 1.00 0.00 C ATOM 0 H LEU A 48 -0.225 -6.882 1.337 1.00 0.00 H new ATOM 0 HA LEU A 48 0.638 -8.786 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.037 -7.528 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.741 -8.808 0.666 1.00 0.00 H new ATOM 0 HG LEU A 48 1.876 -6.163 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.241 -5.484 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.534 -5.727 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.610 -6.962 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.440 -6.804 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.778 -8.333 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.148 -8.010 -2.105 1.00 0.00 H new ATOM 735 N GLU A 49 -0.141 -9.407 2.384 1.00 0.00 N ATOM 736 CA GLU A 49 -0.501 -10.470 3.315 1.00 0.00 C ATOM 737 C GLU A 49 -1.470 -11.456 2.669 1.00 0.00 C ATOM 738 O GLU A 49 -2.573 -11.087 2.267 1.00 0.00 O ATOM 739 CB GLU A 49 -1.126 -9.879 4.581 1.00 0.00 C ATOM 740 CG GLU A 49 -0.104 -9.411 5.603 1.00 0.00 C ATOM 741 CD GLU A 49 0.475 -10.554 6.415 1.00 0.00 C ATOM 742 OE1 GLU A 49 0.570 -11.676 5.874 1.00 0.00 O ATOM 743 OE2 GLU A 49 0.832 -10.327 7.590 1.00 0.00 O ATOM 0 H GLU A 49 -0.278 -8.464 2.747 1.00 0.00 H new ATOM 0 HA GLU A 49 0.409 -11.006 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.761 -9.038 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.771 -10.628 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.704 -8.889 5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.572 -8.692 6.276 1.00 0.00 H new ATOM 750 N LYS A 50 -1.048 -12.712 2.571 1.00 0.00 N ATOM 751 CA LYS A 50 -1.877 -13.753 1.975 1.00 0.00 C ATOM 752 C LYS A 50 -2.837 -14.340 3.004 1.00 0.00 C ATOM 753 O LYS A 50 -2.459 -15.194 3.806 1.00 0.00 O ATOM 754 CB LYS A 50 -0.998 -14.862 1.391 1.00 0.00 C ATOM 755 CG LYS A 50 -0.473 -14.553 0.000 1.00 0.00 C ATOM 756 CD LYS A 50 0.809 -15.314 -0.295 1.00 0.00 C ATOM 757 CE LYS A 50 2.035 -14.539 0.164 1.00 0.00 C ATOM 758 NZ LYS A 50 3.299 -15.238 -0.197 1.00 0.00 N ATOM 0 H LYS A 50 -0.137 -13.034 2.897 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.462 -13.302 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.154 -15.035 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.572 -15.788 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.229 -14.812 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.291 -13.482 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.782 -16.283 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.880 -15.509 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.027 -13.547 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.993 -14.399 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.111 -14.679 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.318 -16.175 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.351 -15.349 -1.230 1.00 0.00 H new ATOM 772 N LYS A 51 -4.083 -13.879 2.975 1.00 0.00 N ATOM 773 CA LYS A 51 -5.100 -14.360 3.903 1.00 0.00 C ATOM 774 C LYS A 51 -6.036 -15.350 3.219 1.00 0.00 C ATOM 775 O LYS A 51 -6.111 -16.516 3.605 1.00 0.00 O ATOM 776 CB LYS A 51 -5.904 -13.185 4.463 1.00 0.00 C ATOM 777 CG LYS A 51 -6.441 -13.428 5.863 1.00 0.00 C ATOM 778 CD LYS A 51 -5.456 -12.970 6.926 1.00 0.00 C ATOM 779 CE LYS A 51 -4.407 -14.034 7.209 1.00 0.00 C ATOM 780 NZ LYS A 51 -5.020 -15.374 7.424 1.00 0.00 N ATOM 0 H LYS A 51 -4.413 -13.172 2.318 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.596 -14.871 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.273 -12.296 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.739 -12.975 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.385 -12.898 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.651 -14.490 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.966 -12.053 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.994 -12.734 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.707 -14.085 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.832 -13.752 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.436 -15.921 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.976 -15.259 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.077 -15.879 6.517 1.00 0.00 H new ATOM 794 N GLY A 52 -6.747 -14.879 2.199 1.00 0.00 N ATOM 795 CA GLY A 52 -7.667 -15.737 1.476 1.00 0.00 C ATOM 796 C GLY A 52 -8.828 -14.969 0.878 1.00 0.00 C ATOM 797 O GLY A 52 -9.256 -15.247 -0.243 1.00 0.00 O ATOM 0 H GLY A 52 -6.702 -13.918 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.129 -16.253 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.051 -16.503 2.150 1.00 0.00 H new ATOM 801 N THR A 53 -9.343 -13.998 1.627 1.00 0.00 N ATOM 802 CA THR A 53 -10.463 -13.188 1.165 1.00 0.00 C ATOM 803 C THR A 53 -10.092 -11.711 1.121 1.00 0.00 C ATOM 804 O THR A 53 -10.563 -10.968 0.260 1.00 0.00 O ATOM 805 CB THR A 53 -11.697 -13.369 2.070 1.00 0.00 C ATOM 806 OG1 THR A 53 -12.780 -12.566 1.587 1.00 0.00 O ATOM 807 CG2 THR A 53 -11.376 -12.986 3.506 1.00 0.00 C ATOM 0 H THR A 53 -9.002 -13.754 2.557 1.00 0.00 H new ATOM 0 HA THR A 53 -10.706 -13.529 0.158 1.00 0.00 H new ATOM 0 HB THR A 53 -11.986 -14.420 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.561 -12.688 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.262 -13.122 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.571 -13.619 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.064 -11.942 3.543 1.00 0.00 H new ATOM 815 N GLY A 54 -9.244 -11.289 2.054 1.00 0.00 N ATOM 816 CA GLY A 54 -8.824 -9.901 2.102 1.00 0.00 C ATOM 817 C GLY A 54 -9.772 -9.036 2.910 1.00 0.00 C ATOM 818 O GLY A 54 -10.738 -9.535 3.490 1.00 0.00 O ATOM 0 H GLY A 54 -8.840 -11.884 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.825 -9.842 2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.756 -9.510 1.087 1.00 0.00 H new ATOM 822 N LEU A 55 -9.495 -7.738 2.951 1.00 0.00 N ATOM 823 CA LEU A 55 -10.330 -6.801 3.696 1.00 0.00 C ATOM 824 C LEU A 55 -10.741 -5.622 2.819 1.00 0.00 C ATOM 825 O LEU A 55 -10.193 -5.420 1.737 1.00 0.00 O ATOM 826 CB LEU A 55 -9.585 -6.296 4.933 1.00 0.00 C ATOM 827 CG LEU A 55 -9.609 -7.217 6.153 1.00 0.00 C ATOM 828 CD1 LEU A 55 -8.637 -8.372 5.970 1.00 0.00 C ATOM 829 CD2 LEU A 55 -9.279 -6.436 7.417 1.00 0.00 C ATOM 0 H LEU A 55 -8.699 -7.310 2.478 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.231 -7.327 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.545 -6.117 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.009 -5.334 5.221 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.614 -7.627 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.668 -9.016 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.918 -8.947 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.627 -7.981 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.301 -7.107 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.286 -5.997 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.014 -5.644 7.557 1.00 0.00 H new ATOM 841 N GLY A 56 -11.709 -4.846 3.296 1.00 0.00 N ATOM 842 CA GLY A 56 -12.176 -3.695 2.545 1.00 0.00 C ATOM 843 C GLY A 56 -12.910 -4.089 1.278 1.00 0.00 C ATOM 844 O GLY A 56 -13.536 -5.147 1.221 1.00 0.00 O ATOM 0 H GLY A 56 -12.178 -4.994 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.837 -3.098 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.326 -3.064 2.287 1.00 0.00 H new ATOM 848 N GLN A 57 -12.834 -3.236 0.262 1.00 0.00 N ATOM 849 CA GLN A 57 -13.499 -3.500 -1.008 1.00 0.00 C ATOM 850 C GLN A 57 -12.528 -4.108 -2.015 1.00 0.00 C ATOM 851 O GLN A 57 -12.758 -5.201 -2.531 1.00 0.00 O ATOM 852 CB GLN A 57 -14.097 -2.210 -1.573 1.00 0.00 C ATOM 853 CG GLN A 57 -15.213 -1.631 -0.717 1.00 0.00 C ATOM 854 CD GLN A 57 -16.337 -2.619 -0.478 1.00 0.00 C ATOM 855 OE1 GLN A 57 -16.477 -3.606 -1.201 1.00 0.00 O ATOM 856 NE2 GLN A 57 -17.147 -2.359 0.542 1.00 0.00 N ATOM 0 H GLN A 57 -12.319 -2.356 0.294 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.301 -4.215 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.306 -1.467 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -14.482 -2.406 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.803 -1.314 0.242 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.614 -0.741 -1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.995 -1.529 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.921 -2.989 0.752 1.00 0.00 H new ATOM 865 N GLN A 58 -11.443 -3.391 -2.289 1.00 0.00 N ATOM 866 CA GLN A 58 -10.438 -3.860 -3.236 1.00 0.00 C ATOM 867 C GLN A 58 -9.175 -4.311 -2.509 1.00 0.00 C ATOM 868 O GLN A 58 -9.104 -4.268 -1.280 1.00 0.00 O ATOM 869 CB GLN A 58 -10.096 -2.756 -4.238 1.00 0.00 C ATOM 870 CG GLN A 58 -9.522 -1.505 -3.594 1.00 0.00 C ATOM 871 CD GLN A 58 -9.709 -0.269 -4.451 1.00 0.00 C ATOM 872 OE1 GLN A 58 -10.376 0.685 -4.048 1.00 0.00 O ATOM 873 NE2 GLN A 58 -9.120 -0.278 -5.641 1.00 0.00 N ATOM 0 H GLN A 58 -11.237 -2.484 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.852 -4.713 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.379 -3.143 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.996 -2.489 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.999 -1.347 -2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.459 -1.654 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.577 -1.090 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.211 0.527 -6.261 1.00 0.00 H new ATOM 882 N LEU A 59 -8.181 -4.745 -3.276 1.00 0.00 N ATOM 883 CA LEU A 59 -6.919 -5.206 -2.705 1.00 0.00 C ATOM 884 C LEU A 59 -5.835 -4.143 -2.852 1.00 0.00 C ATOM 885 O LEU A 59 -4.892 -4.093 -2.063 1.00 0.00 O ATOM 886 CB LEU A 59 -6.473 -6.502 -3.384 1.00 0.00 C ATOM 887 CG LEU A 59 -6.372 -6.461 -4.909 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.297 -7.419 -5.398 1.00 0.00 C ATOM 889 CD2 LEU A 59 -7.715 -6.795 -5.542 1.00 0.00 C ATOM 0 H LEU A 59 -8.224 -4.788 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.076 -5.395 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.499 -6.782 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.171 -7.292 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.093 -5.451 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.239 -7.377 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.335 -7.134 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.545 -8.434 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.624 -6.761 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.024 -7.794 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.461 -6.069 -5.217 1.00 0.00 H new ATOM 901 N GLN A 60 -5.979 -3.293 -3.864 1.00 0.00 N ATOM 902 CA GLN A 60 -5.013 -2.230 -4.112 1.00 0.00 C ATOM 903 C GLN A 60 -5.718 -0.902 -4.365 1.00 0.00 C ATOM 904 O GLN A 60 -6.697 -0.839 -5.107 1.00 0.00 O ATOM 905 CB GLN A 60 -4.126 -2.586 -5.306 1.00 0.00 C ATOM 906 CG GLN A 60 -4.854 -2.537 -6.640 1.00 0.00 C ATOM 907 CD GLN A 60 -3.915 -2.678 -7.822 1.00 0.00 C ATOM 908 OE1 GLN A 60 -3.437 -3.772 -8.122 1.00 0.00 O ATOM 909 NE2 GLN A 60 -3.647 -1.569 -8.501 1.00 0.00 N ATOM 0 H GLN A 60 -6.755 -3.320 -4.525 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.390 -2.126 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.280 -1.899 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.719 -3.586 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.597 -3.334 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.394 -1.594 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.066 -0.683 -8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.023 -1.603 -9.307 1.00 0.00 H new ATOM 918 N GLY A 61 -5.213 0.159 -3.742 1.00 0.00 N ATOM 919 CA GLY A 61 -5.807 1.472 -3.912 1.00 0.00 C ATOM 920 C GLY A 61 -4.856 2.592 -3.540 1.00 0.00 C ATOM 921 O GLY A 61 -3.649 2.379 -3.428 1.00 0.00 O ATOM 0 H GLY A 61 -4.403 0.132 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.119 1.594 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.705 1.543 -3.298 1.00 0.00 H new ATOM 925 N TYR A 62 -5.400 3.789 -3.349 1.00 0.00 N ATOM 926 CA TYR A 62 -4.590 4.948 -2.991 1.00 0.00 C ATOM 927 C TYR A 62 -4.353 5.002 -1.485 1.00 0.00 C ATOM 928 O TYR A 62 -5.298 5.062 -0.699 1.00 0.00 O ATOM 929 CB TYR A 62 -5.271 6.235 -3.459 1.00 0.00 C ATOM 930 CG TYR A 62 -5.288 6.400 -4.962 1.00 0.00 C ATOM 931 CD1 TYR A 62 -4.120 6.285 -5.706 1.00 0.00 C ATOM 932 CD2 TYR A 62 -6.472 6.670 -5.637 1.00 0.00 C ATOM 933 CE1 TYR A 62 -4.131 6.436 -7.079 1.00 0.00 C ATOM 934 CE2 TYR A 62 -6.492 6.821 -7.010 1.00 0.00 C ATOM 935 CZ TYR A 62 -5.319 6.704 -7.727 1.00 0.00 C ATOM 936 OH TYR A 62 -5.334 6.854 -9.094 1.00 0.00 O ATOM 0 H TYR A 62 -6.398 3.982 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.625 4.854 -3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -6.296 6.249 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -4.760 7.089 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.188 6.074 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.392 6.763 -5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.214 6.345 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.421 7.030 -7.520 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.249 7.038 -9.393 1.00 0.00 H new ATOM 946 N ILE A 63 -3.084 4.982 -1.092 1.00 0.00 N ATOM 947 CA ILE A 63 -2.720 5.031 0.318 1.00 0.00 C ATOM 948 C ILE A 63 -1.649 6.086 0.574 1.00 0.00 C ATOM 949 O ILE A 63 -0.793 6.354 -0.270 1.00 0.00 O ATOM 950 CB ILE A 63 -2.211 3.666 0.816 1.00 0.00 C ATOM 951 CG1 ILE A 63 -0.863 3.334 0.171 1.00 0.00 C ATOM 952 CG2 ILE A 63 -3.230 2.578 0.515 1.00 0.00 C ATOM 953 CD1 ILE A 63 -0.055 2.319 0.949 1.00 0.00 C ATOM 0 H ILE A 63 -2.290 4.932 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.624 5.295 0.868 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.073 3.718 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.035 2.955 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.281 4.250 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.855 1.619 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.169 2.811 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.397 2.523 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.887 2.132 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.148 2.704 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.617 1.388 1.026 1.00 0.00 H new ATOM 965 N PRO A 64 -1.693 6.697 1.767 1.00 0.00 N ATOM 966 CA PRO A 64 -0.731 7.730 2.163 1.00 0.00 C ATOM 967 C PRO A 64 0.665 7.164 2.395 1.00 0.00 C ATOM 968 O PRO A 64 0.821 6.084 2.966 1.00 0.00 O ATOM 969 CB PRO A 64 -1.312 8.274 3.470 1.00 0.00 C ATOM 970 CG PRO A 64 -2.131 7.154 4.015 1.00 0.00 C ATOM 971 CD PRO A 64 -2.685 6.427 2.821 1.00 0.00 C ATOM 0 HA PRO A 64 -0.605 8.487 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.523 8.562 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.921 9.161 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.524 6.489 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.933 7.530 4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.787 5.359 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.673 6.798 2.548 1.00 0.00 H new ATOM 979 N SER A 65 1.679 7.900 1.950 1.00 0.00 N ATOM 980 CA SER A 65 3.063 7.468 2.106 1.00 0.00 C ATOM 981 C SER A 65 3.554 7.724 3.528 1.00 0.00 C ATOM 982 O SER A 65 4.149 6.851 4.158 1.00 0.00 O ATOM 983 CB SER A 65 3.963 8.196 1.106 1.00 0.00 C ATOM 984 OG SER A 65 3.877 9.601 1.270 1.00 0.00 O ATOM 0 H SER A 65 1.568 8.798 1.479 1.00 0.00 H new ATOM 0 HA SER A 65 3.107 6.397 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.996 7.874 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.675 7.927 0.090 1.00 0.00 H new ATOM 0 HG SER A 65 4.463 10.043 0.620 1.00 0.00 H new ATOM 990 N ASN A 66 3.300 8.930 4.027 1.00 0.00 N ATOM 991 CA ASN A 66 3.716 9.302 5.374 1.00 0.00 C ATOM 992 C ASN A 66 3.321 8.227 6.383 1.00 0.00 C ATOM 993 O ASN A 66 3.961 8.073 7.423 1.00 0.00 O ATOM 994 CB ASN A 66 3.093 10.643 5.771 1.00 0.00 C ATOM 995 CG ASN A 66 3.544 11.778 4.872 1.00 0.00 C ATOM 996 OD1 ASN A 66 3.032 11.950 3.766 1.00 0.00 O ATOM 997 ND2 ASN A 66 4.508 12.559 5.345 1.00 0.00 N ATOM 0 H ASN A 66 2.809 9.665 3.519 1.00 0.00 H new ATOM 0 HA ASN A 66 4.802 9.397 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.007 10.562 5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.359 10.873 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.853 13.339 4.786 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.903 12.379 6.268 1.00 0.00 H new ATOM 1004 N TYR A 67 2.264 7.488 6.067 1.00 0.00 N ATOM 1005 CA TYR A 67 1.782 6.428 6.945 1.00 0.00 C ATOM 1006 C TYR A 67 2.689 5.204 6.870 1.00 0.00 C ATOM 1007 O TYR A 67 2.853 4.477 7.850 1.00 0.00 O ATOM 1008 CB TYR A 67 0.351 6.040 6.573 1.00 0.00 C ATOM 1009 CG TYR A 67 -0.699 6.943 7.180 1.00 0.00 C ATOM 1010 CD1 TYR A 67 -0.733 8.299 6.881 1.00 0.00 C ATOM 1011 CD2 TYR A 67 -1.656 6.440 8.052 1.00 0.00 C ATOM 1012 CE1 TYR A 67 -1.690 9.128 7.434 1.00 0.00 C ATOM 1013 CE2 TYR A 67 -2.618 7.261 8.609 1.00 0.00 C ATOM 1014 CZ TYR A 67 -2.630 8.604 8.296 1.00 0.00 C ATOM 1015 OH TYR A 67 -3.586 9.426 8.850 1.00 0.00 O ATOM 0 H TYR A 67 1.724 7.603 5.209 1.00 0.00 H new ATOM 0 HA TYR A 67 1.795 6.805 7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.249 6.057 5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.166 5.015 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.001 8.712 6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.648 5.389 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.702 10.181 7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.355 6.854 9.285 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.172 8.900 9.433 1.00 0.00 H new ATOM 1025 N VAL A 68 3.278 4.982 5.699 1.00 0.00 N ATOM 1026 CA VAL A 68 4.170 3.847 5.495 1.00 0.00 C ATOM 1027 C VAL A 68 5.618 4.305 5.358 1.00 0.00 C ATOM 1028 O VAL A 68 5.916 5.494 5.461 1.00 0.00 O ATOM 1029 CB VAL A 68 3.777 3.043 4.241 1.00 0.00 C ATOM 1030 CG1 VAL A 68 2.319 2.616 4.316 1.00 0.00 C ATOM 1031 CG2 VAL A 68 4.039 3.856 2.983 1.00 0.00 C ATOM 0 H VAL A 68 3.153 5.573 4.877 1.00 0.00 H new ATOM 0 HA VAL A 68 4.075 3.207 6.372 1.00 0.00 H new ATOM 0 HB VAL A 68 4.392 2.144 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.059 2.049 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.167 1.993 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.684 3.499 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.756 3.272 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.451 4.773 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.098 4.106 2.925 1.00 0.00 H new ATOM 1041 N ALA A 69 6.514 3.351 5.126 1.00 0.00 N ATOM 1042 CA ALA A 69 7.932 3.656 4.972 1.00 0.00 C ATOM 1043 C ALA A 69 8.657 2.537 4.232 1.00 0.00 C ATOM 1044 O ALA A 69 8.050 1.536 3.855 1.00 0.00 O ATOM 1045 CB ALA A 69 8.571 3.893 6.333 1.00 0.00 C ATOM 0 H ALA A 69 6.284 2.361 5.041 1.00 0.00 H new ATOM 0 HA ALA A 69 8.021 4.565 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.629 4.120 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.078 4.731 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.464 2.998 6.946 1.00 0.00 H new ATOM 1051 N GLU A 70 9.958 2.716 4.028 1.00 0.00 N ATOM 1052 CA GLU A 70 10.765 1.721 3.331 1.00 0.00 C ATOM 1053 C GLU A 70 11.231 0.629 4.291 1.00 0.00 C ATOM 1054 O GLU A 70 12.133 0.843 5.100 1.00 0.00 O ATOM 1055 CB GLU A 70 11.975 2.385 2.671 1.00 0.00 C ATOM 1056 CG GLU A 70 12.502 1.626 1.464 1.00 0.00 C ATOM 1057 CD GLU A 70 13.456 0.512 1.847 1.00 0.00 C ATOM 1058 OE1 GLU A 70 14.331 0.749 2.706 1.00 0.00 O ATOM 1059 OE2 GLU A 70 13.329 -0.597 1.287 1.00 0.00 O ATOM 0 H GLU A 70 10.475 3.540 4.335 1.00 0.00 H new ATOM 0 HA GLU A 70 10.145 1.263 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.702 3.395 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.773 2.480 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.663 1.206 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.010 2.321 0.796 1.00 0.00 H new ATOM 1066 N ASP A 71 10.608 -0.540 4.194 1.00 0.00 N ATOM 1067 CA ASP A 71 10.958 -1.666 5.052 1.00 0.00 C ATOM 1068 C ASP A 71 11.991 -2.563 4.377 1.00 0.00 C ATOM 1069 O ASP A 71 11.786 -3.027 3.255 1.00 0.00 O ATOM 1070 CB ASP A 71 9.709 -2.478 5.399 1.00 0.00 C ATOM 1071 CG ASP A 71 9.811 -3.145 6.757 1.00 0.00 C ATOM 1072 OD1 ASP A 71 9.841 -2.421 7.773 1.00 0.00 O ATOM 1073 OD2 ASP A 71 9.863 -4.393 6.802 1.00 0.00 O ATOM 0 H ASP A 71 9.858 -0.733 3.530 1.00 0.00 H new ATOM 0 HA ASP A 71 11.391 -1.270 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.838 -1.823 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.550 -3.239 4.635 1.00 0.00 H new ATOM 1078 N SER A 72 13.101 -2.803 5.068 1.00 0.00 N ATOM 1079 CA SER A 72 14.168 -3.640 4.533 1.00 0.00 C ATOM 1080 C SER A 72 13.594 -4.846 3.794 1.00 0.00 C ATOM 1081 O SER A 72 12.937 -5.698 4.390 1.00 0.00 O ATOM 1082 CB SER A 72 15.090 -4.110 5.660 1.00 0.00 C ATOM 1083 OG SER A 72 14.416 -5.003 6.531 1.00 0.00 O ATOM 0 H SER A 72 13.285 -2.430 5.999 1.00 0.00 H new ATOM 0 HA SER A 72 14.745 -3.043 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.966 -4.602 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.449 -3.249 6.224 1.00 0.00 H new ATOM 0 HG SER A 72 13.599 -5.328 6.098 1.00 0.00 H new ATOM 1089 N GLY A 73 13.848 -4.909 2.490 1.00 0.00 N ATOM 1090 CA GLY A 73 13.350 -6.012 1.690 1.00 0.00 C ATOM 1091 C GLY A 73 14.332 -7.165 1.618 1.00 0.00 C ATOM 1092 O GLY A 73 15.534 -7.000 1.829 1.00 0.00 O ATOM 0 H GLY A 73 14.390 -4.216 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.409 -6.366 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.135 -5.658 0.682 1.00 0.00 H new ATOM 1096 N PRO A 74 13.818 -8.367 1.316 1.00 0.00 N ATOM 1097 CA PRO A 74 14.640 -9.576 1.211 1.00 0.00 C ATOM 1098 C PRO A 74 15.555 -9.551 -0.009 1.00 0.00 C ATOM 1099 O PRO A 74 15.087 -9.559 -1.147 1.00 0.00 O ATOM 1100 CB PRO A 74 13.607 -10.698 1.082 1.00 0.00 C ATOM 1101 CG PRO A 74 12.402 -10.038 0.506 1.00 0.00 C ATOM 1102 CD PRO A 74 12.395 -8.638 1.053 1.00 0.00 C ATOM 0 HA PRO A 74 15.308 -9.690 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.969 -11.497 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.388 -11.148 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.444 -10.031 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.494 -10.571 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.977 -7.929 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.797 -8.565 1.962 1.00 0.00 H new ATOM 1110 N SER A 75 16.861 -9.521 0.237 1.00 0.00 N ATOM 1111 CA SER A 75 17.841 -9.492 -0.843 1.00 0.00 C ATOM 1112 C SER A 75 19.199 -9.988 -0.357 1.00 0.00 C ATOM 1113 O SER A 75 19.403 -10.201 0.839 1.00 0.00 O ATOM 1114 CB SER A 75 17.974 -8.074 -1.401 1.00 0.00 C ATOM 1115 OG SER A 75 18.233 -7.141 -0.367 1.00 0.00 O ATOM 0 H SER A 75 17.265 -9.516 1.174 1.00 0.00 H new ATOM 0 HA SER A 75 17.493 -10.156 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.780 -8.042 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 17.058 -7.798 -1.923 1.00 0.00 H new ATOM 0 HG SER A 75 18.315 -6.243 -0.750 1.00 0.00 H new ATOM 1121 N SER A 76 20.125 -10.171 -1.293 1.00 0.00 N ATOM 1122 CA SER A 76 21.463 -10.646 -0.962 1.00 0.00 C ATOM 1123 C SER A 76 22.225 -9.603 -0.151 1.00 0.00 C ATOM 1124 O SER A 76 22.485 -8.499 -0.627 1.00 0.00 O ATOM 1125 CB SER A 76 22.238 -10.982 -2.237 1.00 0.00 C ATOM 1126 OG SER A 76 21.944 -12.295 -2.682 1.00 0.00 O ATOM 0 H SER A 76 19.973 -9.997 -2.287 1.00 0.00 H new ATOM 0 HA SER A 76 21.362 -11.548 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.987 -10.265 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.308 -10.889 -2.051 1.00 0.00 H new ATOM 0 HG SER A 76 22.451 -12.485 -3.499 1.00 0.00 H new ATOM 1132 N GLY A 77 22.580 -9.962 1.080 1.00 0.00 N ATOM 1133 CA GLY A 77 23.308 -9.046 1.938 1.00 0.00 C ATOM 1134 C GLY A 77 22.783 -9.043 3.360 1.00 0.00 C ATOM 1135 O GLY A 77 23.031 -9.978 4.122 1.00 0.00 O ATOM 0 H GLY A 77 22.376 -10.870 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.363 -9.319 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.242 -8.038 1.527 1.00 0.00 H new TER 1139 GLY A 77