USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 9 HIS : no HD1:sc= -0.974 K(o=-2.3,f=-3.9) USER MOD Set 1.2: A 31 GLN :FLIP amide:sc= -1.32 F(o=-3.9!,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 159:sc= 0 (180deg=-0.621) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 60:sc= 0.401 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 37 SER OG : rot 180:sc= -0.719 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0964 F(o=-1.4,f=-0.096) USER MOD Single : A 55 THR OG1 : rot -40:sc= 0.1 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 2:sc= 0.999 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.0162 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -7.29! C(o=-7.3!,f=-8!) USER MOD Single : A 79 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.626 13.185 -6.398 1.00 0.00 N ATOM 2 CA GLY A 1 16.370 13.624 -5.232 1.00 0.00 C ATOM 3 C GLY A 1 17.344 12.574 -4.737 1.00 0.00 C ATOM 4 O GLY A 1 18.378 12.334 -5.360 1.00 0.00 O ATOM 0 H1 GLY A 1 14.756 13.748 -6.487 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.209 13.311 -7.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.379 12.180 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.916 14.536 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.672 13.874 -4.433 1.00 0.00 H new ATOM 8 N SER A 2 17.015 11.948 -3.612 1.00 0.00 N ATOM 9 CA SER A 2 17.871 10.921 -3.029 1.00 0.00 C ATOM 10 C SER A 2 17.092 10.059 -2.041 1.00 0.00 C ATOM 11 O SER A 2 16.452 10.573 -1.123 1.00 0.00 O ATOM 12 CB SER A 2 19.070 11.564 -2.328 1.00 0.00 C ATOM 13 OG SER A 2 19.846 10.591 -1.651 1.00 0.00 O ATOM 0 H SER A 2 16.161 12.134 -3.086 1.00 0.00 H new ATOM 0 HA SER A 2 18.230 10.282 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.689 12.082 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.721 12.314 -1.618 1.00 0.00 H new ATOM 0 HG SER A 2 20.607 11.026 -1.213 1.00 0.00 H new ATOM 19 N SER A 3 17.150 8.746 -2.236 1.00 0.00 N ATOM 20 CA SER A 3 16.447 7.812 -1.365 1.00 0.00 C ATOM 21 C SER A 3 15.079 8.361 -0.970 1.00 0.00 C ATOM 22 O SER A 3 14.682 8.293 0.192 1.00 0.00 O ATOM 23 CB SER A 3 17.276 7.528 -0.111 1.00 0.00 C ATOM 24 OG SER A 3 17.289 8.649 0.756 1.00 0.00 O ATOM 0 H SER A 3 17.677 8.305 -2.990 1.00 0.00 H new ATOM 0 HA SER A 3 16.301 6.882 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.866 6.664 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.297 7.273 -0.396 1.00 0.00 H new ATOM 0 HG SER A 3 16.372 8.866 1.024 1.00 0.00 H new ATOM 30 N GLY A 4 14.363 8.906 -1.949 1.00 0.00 N ATOM 31 CA GLY A 4 13.047 9.459 -1.686 1.00 0.00 C ATOM 32 C GLY A 4 12.182 9.514 -2.929 1.00 0.00 C ATOM 33 O GLY A 4 11.066 8.994 -2.940 1.00 0.00 O ATOM 0 H GLY A 4 14.671 8.974 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.548 8.857 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.154 10.464 -1.277 1.00 0.00 H new ATOM 37 N SER A 5 12.696 10.148 -3.978 1.00 0.00 N ATOM 38 CA SER A 5 11.960 10.274 -5.231 1.00 0.00 C ATOM 39 C SER A 5 11.538 8.904 -5.753 1.00 0.00 C ATOM 40 O SER A 5 10.367 8.678 -6.059 1.00 0.00 O ATOM 41 CB SER A 5 12.813 10.991 -6.278 1.00 0.00 C ATOM 42 OG SER A 5 12.030 11.386 -7.391 1.00 0.00 O ATOM 0 H SER A 5 13.619 10.582 -3.985 1.00 0.00 H new ATOM 0 HA SER A 5 11.063 10.863 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.283 11.867 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.616 10.333 -6.610 1.00 0.00 H new ATOM 0 HG SER A 5 12.599 11.844 -8.045 1.00 0.00 H new ATOM 48 N SER A 6 12.501 7.993 -5.852 1.00 0.00 N ATOM 49 CA SER A 6 12.231 6.646 -6.341 1.00 0.00 C ATOM 50 C SER A 6 12.451 5.614 -5.239 1.00 0.00 C ATOM 51 O SER A 6 13.164 5.868 -4.269 1.00 0.00 O ATOM 52 CB SER A 6 13.126 6.327 -7.540 1.00 0.00 C ATOM 53 OG SER A 6 12.689 5.156 -8.206 1.00 0.00 O ATOM 0 H SER A 6 13.475 8.163 -5.600 1.00 0.00 H new ATOM 0 HA SER A 6 11.188 6.602 -6.653 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.122 7.167 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.155 6.196 -7.205 1.00 0.00 H new ATOM 0 HG SER A 6 13.277 4.975 -8.969 1.00 0.00 H new ATOM 59 N GLY A 7 11.833 4.447 -5.397 1.00 0.00 N ATOM 60 CA GLY A 7 11.973 3.394 -4.409 1.00 0.00 C ATOM 61 C GLY A 7 13.060 2.401 -4.770 1.00 0.00 C ATOM 62 O GLY A 7 13.172 1.985 -5.923 1.00 0.00 O ATOM 0 H GLY A 7 11.238 4.213 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.198 3.838 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.024 2.868 -4.306 1.00 0.00 H new ATOM 66 N GLU A 8 13.865 2.022 -3.783 1.00 0.00 N ATOM 67 CA GLU A 8 14.951 1.074 -4.004 1.00 0.00 C ATOM 68 C GLU A 8 14.789 -0.156 -3.114 1.00 0.00 C ATOM 69 O GLU A 8 15.770 -0.804 -2.747 1.00 0.00 O ATOM 70 CB GLU A 8 16.302 1.738 -3.733 1.00 0.00 C ATOM 71 CG GLU A 8 17.482 0.975 -4.309 1.00 0.00 C ATOM 72 CD GLU A 8 18.815 1.598 -3.942 1.00 0.00 C ATOM 73 OE1 GLU A 8 19.073 2.742 -4.373 1.00 0.00 O ATOM 74 OE2 GLU A 8 19.600 0.943 -3.225 1.00 0.00 O ATOM 0 H GLU A 8 13.786 2.357 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 8 14.914 0.756 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.293 2.745 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.437 1.841 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.455 -0.054 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.390 0.936 -5.394 1.00 0.00 H new ATOM 81 N HIS A 9 13.544 -0.471 -2.771 1.00 0.00 N ATOM 82 CA HIS A 9 13.253 -1.623 -1.925 1.00 0.00 C ATOM 83 C HIS A 9 14.044 -1.554 -0.622 1.00 0.00 C ATOM 84 O HIS A 9 14.758 -2.491 -0.268 1.00 0.00 O ATOM 85 CB HIS A 9 13.577 -2.921 -2.664 1.00 0.00 C ATOM 86 CG HIS A 9 12.742 -3.137 -3.889 1.00 0.00 C ATOM 87 ND1 HIS A 9 12.173 -4.352 -4.206 1.00 0.00 N ATOM 88 CD2 HIS A 9 12.381 -2.285 -4.876 1.00 0.00 C ATOM 89 CE1 HIS A 9 11.498 -4.238 -5.336 1.00 0.00 C ATOM 90 NE2 HIS A 9 11.608 -2.993 -5.763 1.00 0.00 N ATOM 0 H HIS A 9 12.721 0.055 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 9 12.190 -1.607 -1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.629 -2.915 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.435 -3.761 -1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.651 -1.242 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.950 -5.028 -5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.187 -2.618 -6.613 1.00 0.00 H new ATOM 99 N GLY A 10 13.913 -0.436 0.087 1.00 0.00 N ATOM 100 CA GLY A 10 14.622 -0.265 1.341 1.00 0.00 C ATOM 101 C GLY A 10 14.179 0.973 2.094 1.00 0.00 C ATOM 102 O GLY A 10 13.541 0.877 3.143 1.00 0.00 O ATOM 0 H GLY A 10 13.328 0.354 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.463 -1.143 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.692 -0.203 1.144 1.00 0.00 H new ATOM 106 N LEU A 11 14.519 2.141 1.559 1.00 0.00 N ATOM 107 CA LEU A 11 14.153 3.406 2.189 1.00 0.00 C ATOM 108 C LEU A 11 12.655 3.462 2.469 1.00 0.00 C ATOM 109 O LEU A 11 12.195 4.254 3.292 1.00 0.00 O ATOM 110 CB LEU A 11 14.561 4.579 1.296 1.00 0.00 C ATOM 111 CG LEU A 11 13.516 5.044 0.280 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.989 3.865 -0.522 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.376 5.767 0.982 1.00 0.00 C ATOM 0 H LEU A 11 15.047 2.239 0.692 1.00 0.00 H new ATOM 0 HA LEU A 11 14.684 3.478 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.819 5.424 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.466 4.301 0.755 1.00 0.00 H new ATOM 0 HG LEU A 11 13.992 5.741 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.247 4.216 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.813 3.390 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.529 3.143 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.642 6.091 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.901 5.092 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.767 6.636 1.511 1.00 0.00 H new ATOM 125 N LEU A 12 11.898 2.615 1.780 1.00 0.00 N ATOM 126 CA LEU A 12 10.450 2.566 1.955 1.00 0.00 C ATOM 127 C LEU A 12 10.076 2.689 3.429 1.00 0.00 C ATOM 128 O LEU A 12 9.486 3.684 3.849 1.00 0.00 O ATOM 129 CB LEU A 12 9.892 1.262 1.383 1.00 0.00 C ATOM 130 CG LEU A 12 9.479 1.297 -0.089 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.971 -0.065 -0.534 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.421 2.365 -0.321 1.00 0.00 C ATOM 0 H LEU A 12 12.262 1.953 1.095 1.00 0.00 H new ATOM 0 HA LEU A 12 10.014 3.408 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.643 0.482 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.025 0.970 1.976 1.00 0.00 H new ATOM 0 HG LEU A 12 10.356 1.547 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.682 -0.020 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.759 -0.807 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.107 -0.346 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.139 2.375 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.543 2.146 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.821 3.340 -0.043 1.00 0.00 H new ATOM 144 N VAL A 13 10.426 1.672 4.210 1.00 0.00 N ATOM 145 CA VAL A 13 10.130 1.668 5.638 1.00 0.00 C ATOM 146 C VAL A 13 10.564 2.974 6.293 1.00 0.00 C ATOM 147 O VAL A 13 9.794 3.602 7.020 1.00 0.00 O ATOM 148 CB VAL A 13 10.825 0.493 6.352 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.368 -0.834 5.765 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.337 0.633 6.260 1.00 0.00 C ATOM 0 H VAL A 13 10.915 0.840 3.878 1.00 0.00 H new ATOM 0 HA VAL A 13 9.050 1.557 5.737 1.00 0.00 H new ATOM 0 HB VAL A 13 10.544 0.513 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.869 -1.652 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.290 -0.934 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.617 -0.868 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.812 -0.205 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.639 0.639 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.645 1.566 6.732 1.00 0.00 H new ATOM 160 N HIS A 14 11.803 3.378 6.031 1.00 0.00 N ATOM 161 CA HIS A 14 12.340 4.612 6.594 1.00 0.00 C ATOM 162 C HIS A 14 11.373 5.772 6.382 1.00 0.00 C ATOM 163 O HIS A 14 10.699 6.212 7.315 1.00 0.00 O ATOM 164 CB HIS A 14 13.694 4.939 5.962 1.00 0.00 C ATOM 165 CG HIS A 14 14.277 6.235 6.434 1.00 0.00 C ATOM 166 ND1 HIS A 14 13.954 7.454 5.875 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.167 6.499 7.419 1.00 0.00 C ATOM 168 CE1 HIS A 14 14.621 8.411 6.495 1.00 0.00 C ATOM 169 NE2 HIS A 14 15.364 7.858 7.437 1.00 0.00 N ATOM 0 H HIS A 14 12.454 2.869 5.433 1.00 0.00 H new ATOM 0 HA HIS A 14 12.474 4.465 7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.394 4.133 6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.581 4.974 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.635 5.775 8.070 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.568 9.466 6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.983 8.359 8.074 1.00 0.00 H new ATOM 178 N LYS A 15 11.309 6.266 5.150 1.00 0.00 N ATOM 179 CA LYS A 15 10.424 7.375 4.814 1.00 0.00 C ATOM 180 C LYS A 15 8.976 7.039 5.158 1.00 0.00 C ATOM 181 O LYS A 15 8.411 6.080 4.634 1.00 0.00 O ATOM 182 CB LYS A 15 10.541 7.715 3.327 1.00 0.00 C ATOM 183 CG LYS A 15 9.569 8.789 2.870 1.00 0.00 C ATOM 184 CD LYS A 15 9.297 8.698 1.378 1.00 0.00 C ATOM 185 CE LYS A 15 8.983 10.062 0.784 1.00 0.00 C ATOM 186 NZ LYS A 15 10.212 10.758 0.311 1.00 0.00 N ATOM 0 H LYS A 15 11.860 5.915 4.367 1.00 0.00 H new ATOM 0 HA LYS A 15 10.727 8.241 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.559 8.045 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.372 6.811 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.632 8.690 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.974 9.773 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.165 8.272 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.461 8.021 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.289 9.944 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.482 10.677 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.955 11.684 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.864 10.893 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.676 10.183 -0.421 1.00 0.00 H new ATOM 200 N ALA A 16 8.382 7.836 6.039 1.00 0.00 N ATOM 201 CA ALA A 16 6.999 7.625 6.449 1.00 0.00 C ATOM 202 C ALA A 16 6.105 7.355 5.244 1.00 0.00 C ATOM 203 O ALA A 16 6.258 7.976 4.193 1.00 0.00 O ATOM 204 CB ALA A 16 6.490 8.829 7.228 1.00 0.00 C ATOM 0 H ALA A 16 8.837 8.634 6.483 1.00 0.00 H new ATOM 0 HA ALA A 16 6.967 6.748 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.456 8.658 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.106 8.975 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.543 9.718 6.599 1.00 0.00 H new ATOM 210 N VAL A 17 5.170 6.424 5.404 1.00 0.00 N ATOM 211 CA VAL A 17 4.250 6.071 4.329 1.00 0.00 C ATOM 212 C VAL A 17 3.317 7.232 4.002 1.00 0.00 C ATOM 213 O VAL A 17 2.866 7.378 2.866 1.00 0.00 O ATOM 214 CB VAL A 17 3.406 4.836 4.695 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.373 4.555 3.614 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.301 3.626 4.915 1.00 0.00 C ATOM 0 H VAL A 17 5.030 5.900 6.268 1.00 0.00 H new ATOM 0 HA VAL A 17 4.858 5.839 3.455 1.00 0.00 H new ATOM 0 HB VAL A 17 2.876 5.042 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.786 3.679 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.713 5.416 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.879 4.369 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.688 2.762 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.859 3.416 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.998 3.832 5.727 1.00 0.00 H new ATOM 226 N ASP A 18 3.031 8.055 5.005 1.00 0.00 N ATOM 227 CA ASP A 18 2.153 9.205 4.824 1.00 0.00 C ATOM 228 C ASP A 18 2.784 10.229 3.887 1.00 0.00 C ATOM 229 O ASP A 18 2.165 11.236 3.542 1.00 0.00 O ATOM 230 CB ASP A 18 1.842 9.853 6.174 1.00 0.00 C ATOM 231 CG ASP A 18 2.914 10.834 6.606 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.054 10.393 6.859 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.612 12.043 6.691 1.00 0.00 O ATOM 0 H ASP A 18 3.395 7.947 5.952 1.00 0.00 H new ATOM 0 HA ASP A 18 1.224 8.854 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.884 10.369 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.738 9.076 6.931 1.00 0.00 H new ATOM 238 N LYS A 19 4.022 9.967 3.479 1.00 0.00 N ATOM 239 CA LYS A 19 4.739 10.865 2.582 1.00 0.00 C ATOM 240 C LYS A 19 4.971 10.208 1.226 1.00 0.00 C ATOM 241 O LYS A 19 5.524 10.823 0.314 1.00 0.00 O ATOM 242 CB LYS A 19 6.078 11.273 3.199 1.00 0.00 C ATOM 243 CG LYS A 19 6.002 12.536 4.039 1.00 0.00 C ATOM 244 CD LYS A 19 5.310 12.282 5.367 1.00 0.00 C ATOM 245 CE LYS A 19 5.511 13.440 6.332 1.00 0.00 C ATOM 246 NZ LYS A 19 6.842 13.383 6.998 1.00 0.00 N ATOM 0 H LYS A 19 4.549 9.139 3.756 1.00 0.00 H new ATOM 0 HA LYS A 19 4.128 11.755 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.446 10.456 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.806 11.421 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.008 12.915 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.464 13.308 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.244 12.128 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.698 11.366 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.415 14.383 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.726 13.423 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.940 14.189 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.925 12.495 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.592 13.425 6.279 1.00 0.00 H new ATOM 260 N TRP A 20 4.544 8.957 1.099 1.00 0.00 N ATOM 261 CA TRP A 20 4.705 8.217 -0.148 1.00 0.00 C ATOM 262 C TRP A 20 3.849 8.824 -1.255 1.00 0.00 C ATOM 263 O TRP A 20 2.931 9.600 -0.990 1.00 0.00 O ATOM 264 CB TRP A 20 4.331 6.748 0.055 1.00 0.00 C ATOM 265 CG TRP A 20 5.259 6.021 0.981 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.286 6.561 1.701 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.245 4.622 1.284 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.912 5.581 2.433 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.292 4.383 2.196 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.449 3.548 0.876 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.561 3.115 2.703 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.718 2.290 1.380 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.766 2.082 2.286 1.00 0.00 C ATOM 0 H TRP A 20 4.084 8.434 1.844 1.00 0.00 H new ATOM 0 HA TRP A 20 5.751 8.280 -0.447 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.317 6.690 0.450 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.326 6.245 -0.912 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.565 7.604 1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.710 5.723 3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.638 3.699 0.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.369 2.952 3.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.110 1.453 1.070 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.950 1.087 2.663 1.00 0.00 H new ATOM 284 N THR A 21 4.156 8.465 -2.498 1.00 0.00 N ATOM 285 CA THR A 21 3.416 8.975 -3.645 1.00 0.00 C ATOM 286 C THR A 21 2.662 7.857 -4.355 1.00 0.00 C ATOM 287 O THR A 21 2.999 6.680 -4.215 1.00 0.00 O ATOM 288 CB THR A 21 4.351 9.669 -4.654 1.00 0.00 C ATOM 289 OG1 THR A 21 5.476 8.829 -4.936 1.00 0.00 O ATOM 290 CG2 THR A 21 4.833 11.007 -4.113 1.00 0.00 C ATOM 0 H THR A 21 4.912 7.823 -2.735 1.00 0.00 H new ATOM 0 HA THR A 21 2.702 9.704 -3.261 1.00 0.00 H new ATOM 0 HB THR A 21 3.792 9.847 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.065 9.276 -5.579 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.492 11.478 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.976 11.654 -3.926 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.377 10.848 -3.182 1.00 0.00 H new ATOM 298 N THR A 22 1.640 8.229 -5.118 1.00 0.00 N ATOM 299 CA THR A 22 0.838 7.257 -5.850 1.00 0.00 C ATOM 300 C THR A 22 1.719 6.200 -6.506 1.00 0.00 C ATOM 301 O THR A 22 1.285 5.071 -6.731 1.00 0.00 O ATOM 302 CB THR A 22 -0.021 7.938 -6.933 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.576 9.156 -6.423 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.141 7.018 -7.393 1.00 0.00 C ATOM 0 H THR A 22 1.348 9.198 -5.245 1.00 0.00 H new ATOM 0 HA THR A 22 0.181 6.779 -5.124 1.00 0.00 H new ATOM 0 HB THR A 22 0.619 8.160 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.119 9.584 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.734 7.520 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.714 6.104 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.779 6.769 -6.545 1.00 0.00 H new ATOM 312 N GLU A 23 2.957 6.574 -6.810 1.00 0.00 N ATOM 313 CA GLU A 23 3.899 5.657 -7.441 1.00 0.00 C ATOM 314 C GLU A 23 4.490 4.693 -6.416 1.00 0.00 C ATOM 315 O GLU A 23 4.427 3.476 -6.585 1.00 0.00 O ATOM 316 CB GLU A 23 5.020 6.436 -8.131 1.00 0.00 C ATOM 317 CG GLU A 23 5.617 5.714 -9.328 1.00 0.00 C ATOM 318 CD GLU A 23 6.921 6.332 -9.792 1.00 0.00 C ATOM 319 OE1 GLU A 23 6.925 7.541 -10.106 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.937 5.609 -9.841 1.00 0.00 O ATOM 0 H GLU A 23 3.331 7.505 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 23 3.357 5.078 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.633 7.402 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.810 6.637 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.787 4.669 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.901 5.727 -10.150 1.00 0.00 H new ATOM 327 N GLU A 24 5.064 5.249 -5.353 1.00 0.00 N ATOM 328 CA GLU A 24 5.668 4.439 -4.302 1.00 0.00 C ATOM 329 C GLU A 24 4.633 3.515 -3.665 1.00 0.00 C ATOM 330 O GLU A 24 4.915 2.351 -3.380 1.00 0.00 O ATOM 331 CB GLU A 24 6.294 5.336 -3.232 1.00 0.00 C ATOM 332 CG GLU A 24 7.375 6.259 -3.769 1.00 0.00 C ATOM 333 CD GLU A 24 8.302 6.766 -2.680 1.00 0.00 C ATOM 334 OE1 GLU A 24 7.887 7.664 -1.919 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.442 6.264 -2.591 1.00 0.00 O ATOM 0 H GLU A 24 5.123 6.255 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 24 6.448 3.826 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.511 5.937 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.719 4.710 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.959 5.729 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.908 7.108 -4.268 1.00 0.00 H new ATOM 342 N VAL A 25 3.434 4.044 -3.443 1.00 0.00 N ATOM 343 CA VAL A 25 2.356 3.268 -2.840 1.00 0.00 C ATOM 344 C VAL A 25 2.150 1.949 -3.576 1.00 0.00 C ATOM 345 O VAL A 25 2.000 0.897 -2.956 1.00 0.00 O ATOM 346 CB VAL A 25 1.032 4.055 -2.838 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.088 3.214 -2.245 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.190 5.361 -2.074 1.00 0.00 C ATOM 0 H VAL A 25 3.184 5.006 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 25 2.650 3.064 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 25 0.769 4.293 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.016 3.786 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.216 2.308 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.164 2.944 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.245 5.904 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.477 5.148 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.962 5.968 -2.547 1.00 0.00 H new ATOM 358 N VAL A 26 2.144 2.014 -4.904 1.00 0.00 N ATOM 359 CA VAL A 26 1.958 0.824 -5.726 1.00 0.00 C ATOM 360 C VAL A 26 3.214 -0.041 -5.734 1.00 0.00 C ATOM 361 O VAL A 26 3.135 -1.268 -5.811 1.00 0.00 O ATOM 362 CB VAL A 26 1.596 1.196 -7.177 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.497 -0.053 -8.039 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.296 1.985 -7.215 1.00 0.00 C ATOM 0 H VAL A 26 2.266 2.878 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 26 1.135 0.261 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 26 2.388 1.826 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.241 0.229 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.454 -0.574 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.725 -0.711 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.055 2.240 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.508 1.382 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.408 2.899 -6.632 1.00 0.00 H new ATOM 374 N LEU A 27 4.371 0.606 -5.652 1.00 0.00 N ATOM 375 CA LEU A 27 5.645 -0.105 -5.648 1.00 0.00 C ATOM 376 C LEU A 27 5.767 -0.999 -4.419 1.00 0.00 C ATOM 377 O LEU A 27 6.113 -2.176 -4.527 1.00 0.00 O ATOM 378 CB LEU A 27 6.807 0.891 -5.685 1.00 0.00 C ATOM 379 CG LEU A 27 7.303 1.292 -7.075 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.562 2.138 -6.968 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.559 0.057 -7.926 1.00 0.00 C ATOM 0 H LEU A 27 4.454 1.621 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 27 5.684 -0.734 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.503 1.794 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.643 0.464 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 27 6.529 1.888 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.901 2.414 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.347 3.040 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.342 1.567 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.911 0.361 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.315 -0.565 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.635 -0.511 -8.030 1.00 0.00 H new ATOM 393 N TRP A 28 5.477 -0.435 -3.252 1.00 0.00 N ATOM 394 CA TRP A 28 5.551 -1.183 -2.002 1.00 0.00 C ATOM 395 C TRP A 28 4.573 -2.352 -2.008 1.00 0.00 C ATOM 396 O TRP A 28 4.891 -3.444 -1.535 1.00 0.00 O ATOM 397 CB TRP A 28 5.259 -0.263 -0.816 1.00 0.00 C ATOM 398 CG TRP A 28 4.786 -0.997 0.403 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.564 -1.608 1.345 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.428 -1.199 0.808 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.770 -2.177 2.312 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.456 -1.939 2.006 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.191 -0.824 0.277 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.296 -2.312 2.678 1.00 0.00 C ATOM 405 CZ3 TRP A 28 1.040 -1.194 0.945 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.098 -1.931 2.136 1.00 0.00 C ATOM 0 H TRP A 28 5.188 0.537 -3.145 1.00 0.00 H new ATOM 0 HA TRP A 28 6.561 -1.580 -1.904 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.162 0.295 -0.568 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.503 0.466 -1.108 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.643 -1.639 1.332 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.105 -2.693 3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.136 -0.255 -0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.339 -2.882 3.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.079 -0.911 0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.180 -2.203 2.636 1.00 0.00 H new ATOM 417 N LEU A 29 3.381 -2.117 -2.546 1.00 0.00 N ATOM 418 CA LEU A 29 2.355 -3.152 -2.613 1.00 0.00 C ATOM 419 C LEU A 29 2.696 -4.189 -3.678 1.00 0.00 C ATOM 420 O LEU A 29 2.317 -5.354 -3.567 1.00 0.00 O ATOM 421 CB LEU A 29 0.991 -2.527 -2.913 1.00 0.00 C ATOM 422 CG LEU A 29 -0.111 -3.495 -3.343 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.783 -4.114 -2.127 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.135 -2.784 -4.216 1.00 0.00 C ATOM 0 H LEU A 29 3.101 -1.220 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 29 2.315 -3.652 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.653 -1.996 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.120 -1.783 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 29 0.343 -4.295 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.565 -4.800 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.043 -4.659 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.223 -3.327 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.912 -3.489 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.584 -1.964 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.644 -2.390 -5.106 1.00 0.00 H new ATOM 436 N GLU A 30 3.417 -3.756 -4.709 1.00 0.00 N ATOM 437 CA GLU A 30 3.811 -4.649 -5.793 1.00 0.00 C ATOM 438 C GLU A 30 4.948 -5.567 -5.355 1.00 0.00 C ATOM 439 O GLU A 30 5.492 -6.324 -6.159 1.00 0.00 O ATOM 440 CB GLU A 30 4.237 -3.840 -7.020 1.00 0.00 C ATOM 441 CG GLU A 30 3.071 -3.369 -7.873 1.00 0.00 C ATOM 442 CD GLU A 30 3.517 -2.560 -9.075 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.169 -1.513 -8.877 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.215 -2.974 -10.214 1.00 0.00 O ATOM 0 H GLU A 30 3.739 -2.794 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 30 2.950 -5.265 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.810 -2.973 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.902 -4.448 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.502 -4.234 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.399 -2.765 -7.262 1.00 0.00 H new ATOM 451 N GLN A 31 5.302 -5.493 -4.076 1.00 0.00 N ATOM 452 CA GLN A 31 6.376 -6.316 -3.532 1.00 0.00 C ATOM 453 C GLN A 31 5.817 -7.421 -2.643 1.00 0.00 C ATOM 454 O GLN A 31 6.428 -8.481 -2.492 1.00 0.00 O ATOM 455 CB GLN A 31 7.357 -5.452 -2.738 1.00 0.00 C ATOM 456 CG GLN A 31 8.309 -4.652 -3.611 1.00 0.00 C ATOM 457 CD GLN A 31 9.036 -3.567 -2.841 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.470 -2.366 -2.834 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.094 -3.806 -2.259 1.00 0.00 N flip ATOM 0 H GLN A 31 4.861 -4.872 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 31 6.904 -6.778 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.794 -4.766 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.938 -6.093 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.039 -5.326 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.751 -4.199 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.493 -4.744 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.572 -3.066 -1.745 1.00 0.00 H new ATOM 468 N LEU A 32 4.653 -7.168 -2.054 1.00 0.00 N ATOM 469 CA LEU A 32 4.011 -8.142 -1.178 1.00 0.00 C ATOM 470 C LEU A 32 3.640 -9.406 -1.948 1.00 0.00 C ATOM 471 O LEU A 32 3.502 -10.481 -1.367 1.00 0.00 O ATOM 472 CB LEU A 32 2.761 -7.536 -0.538 1.00 0.00 C ATOM 473 CG LEU A 32 2.841 -6.050 -0.187 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.602 -5.616 0.581 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.099 -5.759 0.618 1.00 0.00 C ATOM 0 H LEU A 32 4.135 -6.297 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 32 4.719 -8.411 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.921 -7.684 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.537 -8.092 0.372 1.00 0.00 H new ATOM 0 HG LEU A 32 2.887 -5.479 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.676 -4.556 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.716 -5.788 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.524 -6.193 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.139 -4.697 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.083 -6.340 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.977 -6.032 0.032 1.00 0.00 H new ATOM 487 N GLY A 33 3.481 -9.268 -3.261 1.00 0.00 N ATOM 488 CA GLY A 33 3.129 -10.406 -4.090 1.00 0.00 C ATOM 489 C GLY A 33 2.843 -10.012 -5.525 1.00 0.00 C ATOM 490 O GLY A 33 2.644 -8.839 -5.841 1.00 0.00 O ATOM 0 H GLY A 33 3.590 -8.388 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.943 -11.131 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.252 -10.900 -3.671 1.00 0.00 H new ATOM 494 N PRO A 34 2.822 -11.008 -6.423 1.00 0.00 N ATOM 495 CA PRO A 34 2.561 -10.784 -7.848 1.00 0.00 C ATOM 496 C PRO A 34 1.114 -10.380 -8.116 1.00 0.00 C ATOM 497 O PRO A 34 0.808 -9.782 -9.147 1.00 0.00 O ATOM 498 CB PRO A 34 2.862 -12.144 -8.482 1.00 0.00 C ATOM 499 CG PRO A 34 2.649 -13.129 -7.386 1.00 0.00 C ATOM 500 CD PRO A 34 3.051 -12.430 -6.117 1.00 0.00 C ATOM 0 HA PRO A 34 3.163 -9.969 -8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.201 -12.342 -9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.884 -12.187 -8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.607 -13.446 -7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.249 -14.025 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.451 -12.760 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.093 -12.624 -5.864 1.00 0.00 H new ATOM 508 N TRP A 35 0.231 -10.711 -7.181 1.00 0.00 N ATOM 509 CA TRP A 35 -1.184 -10.382 -7.317 1.00 0.00 C ATOM 510 C TRP A 35 -1.414 -8.885 -7.141 1.00 0.00 C ATOM 511 O TRP A 35 -2.481 -8.369 -7.472 1.00 0.00 O ATOM 512 CB TRP A 35 -2.010 -11.161 -6.292 1.00 0.00 C ATOM 513 CG TRP A 35 -1.463 -11.076 -4.900 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.864 -12.079 -4.192 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.468 -9.927 -4.046 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.495 -11.622 -2.949 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.854 -10.305 -2.836 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.928 -8.615 -4.187 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.692 -9.417 -1.775 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.767 -7.736 -3.133 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.152 -8.139 -1.940 1.00 0.00 C ATOM 0 H TRP A 35 0.469 -11.206 -6.322 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.503 -10.664 -8.321 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.032 -10.783 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.056 -12.208 -6.593 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.704 -13.083 -4.555 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.030 -12.174 -2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.401 -8.294 -5.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.220 -9.726 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.121 -6.720 -3.230 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.039 -7.427 -1.136 1.00 0.00 H new ATOM 532 N ALA A 36 -0.406 -8.193 -6.619 1.00 0.00 N ATOM 533 CA ALA A 36 -0.499 -6.755 -6.402 1.00 0.00 C ATOM 534 C ALA A 36 -0.772 -6.019 -7.709 1.00 0.00 C ATOM 535 O ALA A 36 -1.247 -4.883 -7.706 1.00 0.00 O ATOM 536 CB ALA A 36 0.777 -6.235 -5.758 1.00 0.00 C ATOM 0 H ALA A 36 0.484 -8.605 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.335 -6.568 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.694 -5.159 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.929 -6.730 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.625 -6.442 -6.411 1.00 0.00 H new ATOM 542 N SER A 37 -0.468 -6.673 -8.826 1.00 0.00 N ATOM 543 CA SER A 37 -0.676 -6.078 -10.141 1.00 0.00 C ATOM 544 C SER A 37 -2.150 -6.126 -10.531 1.00 0.00 C ATOM 545 O SER A 37 -2.557 -5.546 -11.539 1.00 0.00 O ATOM 546 CB SER A 37 0.166 -6.804 -11.192 1.00 0.00 C ATOM 547 OG SER A 37 0.429 -5.966 -12.303 1.00 0.00 O ATOM 0 H SER A 37 -0.077 -7.615 -8.846 1.00 0.00 H new ATOM 0 HA SER A 37 -0.364 -5.035 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.107 -7.129 -10.747 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.356 -7.701 -11.525 1.00 0.00 H new ATOM 0 HG SER A 37 0.970 -6.453 -12.959 1.00 0.00 H new ATOM 553 N LEU A 38 -2.946 -6.822 -9.727 1.00 0.00 N ATOM 554 CA LEU A 38 -4.376 -6.948 -9.987 1.00 0.00 C ATOM 555 C LEU A 38 -5.153 -5.820 -9.315 1.00 0.00 C ATOM 556 O LEU A 38 -6.314 -5.573 -9.639 1.00 0.00 O ATOM 557 CB LEU A 38 -4.888 -8.301 -9.491 1.00 0.00 C ATOM 558 CG LEU A 38 -4.134 -9.531 -9.998 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.388 -10.724 -9.091 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.538 -9.851 -11.430 1.00 0.00 C ATOM 0 H LEU A 38 -2.626 -7.308 -8.889 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.531 -6.881 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.854 -8.302 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.935 -8.398 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.067 -9.311 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.843 -11.590 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.048 -10.492 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.455 -10.946 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.992 -10.729 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.609 -10.051 -11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.303 -9.002 -12.073 1.00 0.00 H new ATOM 572 N TYR A 39 -4.502 -5.137 -8.379 1.00 0.00 N ATOM 573 CA TYR A 39 -5.132 -4.035 -7.661 1.00 0.00 C ATOM 574 C TYR A 39 -4.456 -2.709 -7.997 1.00 0.00 C ATOM 575 O TYR A 39 -5.064 -1.645 -7.889 1.00 0.00 O ATOM 576 CB TYR A 39 -5.074 -4.283 -6.153 1.00 0.00 C ATOM 577 CG TYR A 39 -5.696 -5.595 -5.730 1.00 0.00 C ATOM 578 CD1 TYR A 39 -4.971 -6.779 -5.784 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.009 -5.650 -5.278 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.535 -7.980 -5.400 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.580 -6.847 -4.891 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.840 -8.009 -4.953 1.00 0.00 C ATOM 583 OH TYR A 39 -7.406 -9.202 -4.569 1.00 0.00 O ATOM 0 H TYR A 39 -3.539 -5.327 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.175 -3.979 -7.973 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.033 -4.263 -5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.583 -3.467 -5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.949 -6.760 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.592 -4.742 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.958 -8.891 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.602 -6.873 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.330 -9.048 -4.280 1.00 0.00 H new ATOM 593 N ARG A 40 -3.193 -2.783 -8.404 1.00 0.00 N ATOM 594 CA ARG A 40 -2.432 -1.590 -8.755 1.00 0.00 C ATOM 595 C ARG A 40 -3.310 -0.582 -9.491 1.00 0.00 C ATOM 596 O ARG A 40 -3.295 0.610 -9.184 1.00 0.00 O ATOM 597 CB ARG A 40 -1.229 -1.964 -9.622 1.00 0.00 C ATOM 598 CG ARG A 40 -1.588 -2.250 -11.071 1.00 0.00 C ATOM 599 CD ARG A 40 -0.408 -2.834 -11.833 1.00 0.00 C ATOM 600 NE ARG A 40 -0.442 -2.480 -13.249 1.00 0.00 N ATOM 601 CZ ARG A 40 -0.053 -1.302 -13.722 1.00 0.00 C ATOM 602 NH1 ARG A 40 0.399 -0.368 -12.896 1.00 0.00 N ATOM 603 NH2 ARG A 40 -0.113 -1.055 -15.025 1.00 0.00 N ATOM 0 H ARG A 40 -2.675 -3.657 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.077 -1.131 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.502 -1.152 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.744 -2.843 -9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.427 -2.945 -11.109 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.915 -1.329 -11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.522 -2.475 -11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.411 -3.919 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.784 -3.176 -13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.449 -0.554 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.697 0.536 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.458 -1.771 -15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.186 -0.149 -15.387 1.00 0.00 H new ATOM 617 N ASP A 41 -4.073 -1.070 -10.463 1.00 0.00 N ATOM 618 CA ASP A 41 -4.959 -0.212 -11.242 1.00 0.00 C ATOM 619 C ASP A 41 -5.869 0.603 -10.329 1.00 0.00 C ATOM 620 O ASP A 41 -6.072 1.798 -10.545 1.00 0.00 O ATOM 621 CB ASP A 41 -5.800 -1.052 -12.204 1.00 0.00 C ATOM 622 CG ASP A 41 -4.953 -1.963 -13.071 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.114 -2.700 -12.512 1.00 0.00 O ATOM 624 OD2 ASP A 41 -5.129 -1.939 -14.307 1.00 0.00 O ATOM 0 H ASP A 41 -4.096 -2.054 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.342 0.478 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.507 -1.653 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.386 -0.390 -12.842 1.00 0.00 H new ATOM 629 N ARG A 42 -6.415 -0.052 -9.309 1.00 0.00 N ATOM 630 CA ARG A 42 -7.305 0.611 -8.365 1.00 0.00 C ATOM 631 C ARG A 42 -6.552 1.660 -7.551 1.00 0.00 C ATOM 632 O ARG A 42 -7.139 2.632 -7.075 1.00 0.00 O ATOM 633 CB ARG A 42 -7.944 -0.414 -7.427 1.00 0.00 C ATOM 634 CG ARG A 42 -8.535 -1.615 -8.148 1.00 0.00 C ATOM 635 CD ARG A 42 -9.613 -2.290 -7.316 1.00 0.00 C ATOM 636 NE ARG A 42 -10.261 -3.381 -8.040 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.059 -3.197 -9.086 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.305 -1.971 -9.528 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.611 -4.240 -9.692 1.00 0.00 N ATOM 0 H ARG A 42 -6.256 -1.041 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.089 1.111 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.194 -0.761 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.729 0.074 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.956 -1.297 -9.102 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.745 -2.332 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.173 -2.676 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.362 -1.553 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.091 -4.336 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.881 -1.167 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.918 -1.832 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.423 -5.184 -9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.224 -4.098 -10.495 1.00 0.00 H new ATOM 653 N PHE A 43 -5.248 1.456 -7.396 1.00 0.00 N ATOM 654 CA PHE A 43 -4.414 2.382 -6.639 1.00 0.00 C ATOM 655 C PHE A 43 -4.064 3.608 -7.478 1.00 0.00 C ATOM 656 O PHE A 43 -4.190 4.745 -7.019 1.00 0.00 O ATOM 657 CB PHE A 43 -3.133 1.686 -6.174 1.00 0.00 C ATOM 658 CG PHE A 43 -3.354 0.712 -5.052 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.320 -0.275 -5.154 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.595 0.785 -3.895 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.526 -1.172 -4.122 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.795 -0.109 -2.860 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.761 -1.089 -2.975 1.00 0.00 C ATOM 0 H PHE A 43 -4.746 0.658 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.978 2.709 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.687 1.160 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.415 2.441 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.919 -0.345 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.838 1.550 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.284 -1.936 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.197 -0.041 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.918 -1.790 -2.169 1.00 0.00 H new ATOM 673 N LEU A 44 -3.623 3.370 -8.708 1.00 0.00 N ATOM 674 CA LEU A 44 -3.254 4.453 -9.612 1.00 0.00 C ATOM 675 C LEU A 44 -4.475 5.284 -9.993 1.00 0.00 C ATOM 676 O LEU A 44 -4.495 6.500 -9.802 1.00 0.00 O ATOM 677 CB LEU A 44 -2.593 3.891 -10.871 1.00 0.00 C ATOM 678 CG LEU A 44 -1.163 3.374 -10.705 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.305 4.402 -9.983 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.158 2.051 -9.954 1.00 0.00 C ATOM 0 H LEU A 44 -3.512 2.436 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.545 5.099 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.211 3.076 -11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.590 4.669 -11.634 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.739 3.208 -11.696 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.709 4.017 -9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.282 5.327 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.726 4.600 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.132 1.698 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.600 2.191 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.738 1.315 -10.510 1.00 0.00 H new ATOM 692 N SER A 45 -5.492 4.620 -10.531 1.00 0.00 N ATOM 693 CA SER A 45 -6.717 5.297 -10.941 1.00 0.00 C ATOM 694 C SER A 45 -7.252 6.179 -9.817 1.00 0.00 C ATOM 695 O SER A 45 -7.604 7.337 -10.037 1.00 0.00 O ATOM 696 CB SER A 45 -7.778 4.274 -11.351 1.00 0.00 C ATOM 697 OG SER A 45 -8.692 4.831 -12.280 1.00 0.00 O ATOM 0 H SER A 45 -5.492 3.613 -10.693 1.00 0.00 H new ATOM 0 HA SER A 45 -6.484 5.930 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.295 3.401 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.316 3.930 -10.468 1.00 0.00 H new ATOM 0 HG SER A 45 -9.359 4.157 -12.527 1.00 0.00 H new ATOM 703 N GLU A 46 -7.310 5.621 -8.612 1.00 0.00 N ATOM 704 CA GLU A 46 -7.803 6.356 -7.453 1.00 0.00 C ATOM 705 C GLU A 46 -6.706 7.235 -6.859 1.00 0.00 C ATOM 706 O GLU A 46 -6.806 7.686 -5.718 1.00 0.00 O ATOM 707 CB GLU A 46 -8.325 5.386 -6.390 1.00 0.00 C ATOM 708 CG GLU A 46 -9.640 4.723 -6.765 1.00 0.00 C ATOM 709 CD GLU A 46 -10.762 5.724 -6.964 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.009 6.530 -6.043 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.393 5.701 -8.041 1.00 0.00 O ATOM 0 H GLU A 46 -7.022 4.663 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.620 6.997 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.575 4.614 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.454 5.924 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.504 4.148 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.922 4.017 -5.984 1.00 0.00 H new ATOM 718 N ARG A 47 -5.658 7.473 -7.642 1.00 0.00 N ATOM 719 CA ARG A 47 -4.541 8.296 -7.194 1.00 0.00 C ATOM 720 C ARG A 47 -4.222 8.027 -5.726 1.00 0.00 C ATOM 721 O ARG A 47 -3.824 8.930 -4.991 1.00 0.00 O ATOM 722 CB ARG A 47 -4.861 9.779 -7.394 1.00 0.00 C ATOM 723 CG ARG A 47 -4.982 10.185 -8.853 1.00 0.00 C ATOM 724 CD ARG A 47 -3.634 10.148 -9.556 1.00 0.00 C ATOM 725 NE ARG A 47 -2.772 11.252 -9.142 1.00 0.00 N ATOM 726 CZ ARG A 47 -1.455 11.262 -9.319 1.00 0.00 C ATOM 727 NH1 ARG A 47 -0.853 10.233 -9.900 1.00 0.00 N ATOM 728 NH2 ARG A 47 -0.738 12.303 -8.915 1.00 0.00 N ATOM 0 H ARG A 47 -5.560 7.108 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.667 8.036 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.795 10.013 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.081 10.377 -6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.677 9.516 -9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.400 11.189 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.139 9.201 -9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.786 10.191 -10.634 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.204 12.059 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.401 9.431 -10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.158 10.243 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.198 13.096 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.273 12.310 -9.051 1.00 0.00 H new ATOM 742 N VAL A 48 -4.399 6.778 -5.307 1.00 0.00 N ATOM 743 CA VAL A 48 -4.129 6.389 -3.928 1.00 0.00 C ATOM 744 C VAL A 48 -2.703 6.748 -3.525 1.00 0.00 C ATOM 745 O VAL A 48 -1.749 6.075 -3.912 1.00 0.00 O ATOM 746 CB VAL A 48 -4.345 4.878 -3.718 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.133 4.506 -2.259 1.00 0.00 C ATOM 748 CG2 VAL A 48 -5.733 4.469 -4.186 1.00 0.00 C ATOM 0 H VAL A 48 -4.728 6.018 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.830 6.939 -3.301 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.611 4.337 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.290 3.435 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.116 4.762 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.841 5.054 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.869 3.399 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.485 5.017 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.842 4.698 -5.246 1.00 0.00 H new ATOM 758 N ASN A 49 -2.566 7.814 -2.743 1.00 0.00 N ATOM 759 CA ASN A 49 -1.256 8.264 -2.286 1.00 0.00 C ATOM 760 C ASN A 49 -0.959 7.739 -0.885 1.00 0.00 C ATOM 761 O ASN A 49 -1.863 7.321 -0.162 1.00 0.00 O ATOM 762 CB ASN A 49 -1.187 9.792 -2.295 1.00 0.00 C ATOM 763 CG ASN A 49 -2.007 10.415 -1.182 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.347 10.758 -0.082 1.00 0.00 O flip ATOM 765 ND2 ASN A 49 -3.220 10.585 -1.310 1.00 0.00 N flip ATOM 0 H ASN A 49 -3.346 8.382 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.505 7.869 -2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.148 10.106 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.543 10.163 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.686 10.306 -2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.759 11.005 -0.553 1.00 0.00 H new ATOM 772 N GLY A 50 0.316 7.763 -0.508 1.00 0.00 N ATOM 773 CA GLY A 50 0.710 7.288 0.805 1.00 0.00 C ATOM 774 C GLY A 50 -0.337 7.573 1.864 1.00 0.00 C ATOM 775 O GLY A 50 -0.959 6.653 2.395 1.00 0.00 O ATOM 0 H GLY A 50 1.083 8.103 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.893 6.214 0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.650 7.760 1.092 1.00 0.00 H new ATOM 779 N ARG A 51 -0.531 8.851 2.173 1.00 0.00 N ATOM 780 CA ARG A 51 -1.508 9.254 3.177 1.00 0.00 C ATOM 781 C ARG A 51 -2.792 8.441 3.044 1.00 0.00 C ATOM 782 O ARG A 51 -3.308 7.910 4.028 1.00 0.00 O ATOM 783 CB ARG A 51 -1.820 10.746 3.046 1.00 0.00 C ATOM 784 CG ARG A 51 -2.196 11.407 4.361 1.00 0.00 C ATOM 785 CD ARG A 51 -3.631 11.090 4.754 1.00 0.00 C ATOM 786 NE ARG A 51 -4.128 11.993 5.789 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.721 11.957 7.053 1.00 0.00 C ATOM 788 NH1 ARG A 51 -2.816 11.068 7.436 1.00 0.00 N ATOM 789 NH2 ARG A 51 -4.220 12.812 7.936 1.00 0.00 N ATOM 0 H ARG A 51 -0.025 9.625 1.743 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.079 9.065 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.951 11.255 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.637 10.877 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.520 11.069 5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.071 12.486 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.271 11.159 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.690 10.062 5.111 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.826 12.689 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.430 10.409 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.505 11.043 8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.917 13.498 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.907 12.784 8.906 1.00 0.00 H new ATOM 803 N LEU A 52 -3.303 8.348 1.821 1.00 0.00 N ATOM 804 CA LEU A 52 -4.527 7.600 1.558 1.00 0.00 C ATOM 805 C LEU A 52 -4.372 6.139 1.967 1.00 0.00 C ATOM 806 O LEU A 52 -5.223 5.584 2.663 1.00 0.00 O ATOM 807 CB LEU A 52 -4.895 7.690 0.076 1.00 0.00 C ATOM 808 CG LEU A 52 -6.295 7.203 -0.299 1.00 0.00 C ATOM 809 CD1 LEU A 52 -6.377 5.687 -0.202 1.00 0.00 C ATOM 810 CD2 LEU A 52 -7.343 7.853 0.593 1.00 0.00 C ATOM 0 H LEU A 52 -2.888 8.781 0.996 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.327 8.041 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.797 8.729 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.167 7.113 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.495 7.492 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.381 5.359 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.653 5.239 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.156 5.375 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.333 7.495 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.146 7.595 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.302 8.936 0.474 1.00 0.00 H new ATOM 822 N LEU A 53 -3.278 5.522 1.533 1.00 0.00 N ATOM 823 CA LEU A 53 -3.009 4.125 1.856 1.00 0.00 C ATOM 824 C LEU A 53 -3.169 3.871 3.352 1.00 0.00 C ATOM 825 O LEU A 53 -3.768 2.877 3.763 1.00 0.00 O ATOM 826 CB LEU A 53 -1.597 3.741 1.411 1.00 0.00 C ATOM 827 CG LEU A 53 -1.292 2.244 1.363 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.135 1.561 0.298 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.190 2.009 1.105 1.00 0.00 C ATOM 0 H LEU A 53 -2.563 5.967 0.957 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.732 3.509 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.424 4.159 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.884 4.215 2.085 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.545 1.810 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.904 0.496 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.192 1.699 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.914 1.998 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.389 0.938 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.469 2.457 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.775 2.463 1.905 1.00 0.00 H new ATOM 841 N LEU A 54 -2.633 4.778 4.161 1.00 0.00 N ATOM 842 CA LEU A 54 -2.718 4.654 5.612 1.00 0.00 C ATOM 843 C LEU A 54 -4.153 4.845 6.092 1.00 0.00 C ATOM 844 O LEU A 54 -4.679 4.033 6.853 1.00 0.00 O ATOM 845 CB LEU A 54 -1.802 5.677 6.286 1.00 0.00 C ATOM 846 CG LEU A 54 -0.310 5.342 6.292 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.514 6.582 6.603 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.016 4.237 7.296 1.00 0.00 C ATOM 0 H LEU A 54 -2.135 5.607 3.837 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.394 3.650 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.936 6.638 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.130 5.804 7.318 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.032 4.987 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.573 6.324 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.326 7.343 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.235 6.968 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.050 4.011 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.309 4.564 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.578 3.343 7.028 1.00 0.00 H new ATOM 860 N THR A 55 -4.784 5.925 5.639 1.00 0.00 N ATOM 861 CA THR A 55 -6.159 6.223 6.021 1.00 0.00 C ATOM 862 C THR A 55 -7.065 5.018 5.795 1.00 0.00 C ATOM 863 O THR A 55 -8.082 4.858 6.471 1.00 0.00 O ATOM 864 CB THR A 55 -6.713 7.424 5.231 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.789 7.101 3.838 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.835 8.651 5.425 1.00 0.00 C ATOM 0 H THR A 55 -4.364 6.607 5.007 1.00 0.00 H new ATOM 0 HA THR A 55 -6.147 6.471 7.082 1.00 0.00 H new ATOM 0 HB THR A 55 -7.711 7.648 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.995 6.590 3.577 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.246 9.486 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.803 8.912 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.826 8.436 5.074 1.00 0.00 H new ATOM 874 N LEU A 56 -6.691 4.173 4.841 1.00 0.00 N ATOM 875 CA LEU A 56 -7.471 2.981 4.526 1.00 0.00 C ATOM 876 C LEU A 56 -7.417 1.976 5.673 1.00 0.00 C ATOM 877 O LEU A 56 -6.340 1.636 6.164 1.00 0.00 O ATOM 878 CB LEU A 56 -6.954 2.334 3.240 1.00 0.00 C ATOM 879 CG LEU A 56 -7.137 3.147 1.959 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.268 2.587 0.843 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.600 3.162 1.541 1.00 0.00 C ATOM 0 H LEU A 56 -5.853 4.291 4.272 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.508 3.283 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.892 2.124 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.456 1.375 3.112 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.825 4.173 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.411 3.178 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.221 2.629 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.549 1.552 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.711 3.745 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.938 2.141 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.200 3.610 2.333 1.00 0.00 H new ATOM 893 N THR A 57 -8.585 1.502 6.094 1.00 0.00 N ATOM 894 CA THR A 57 -8.671 0.536 7.181 1.00 0.00 C ATOM 895 C THR A 57 -9.293 -0.772 6.706 1.00 0.00 C ATOM 896 O THR A 57 -9.777 -0.866 5.579 1.00 0.00 O ATOM 897 CB THR A 57 -9.498 1.087 8.358 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.862 1.265 7.958 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.931 2.411 8.846 1.00 0.00 C ATOM 0 H THR A 57 -9.485 1.772 5.698 1.00 0.00 H new ATOM 0 HA THR A 57 -7.652 0.349 7.519 1.00 0.00 H new ATOM 0 HB THR A 57 -9.450 0.367 9.175 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.381 1.614 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.532 2.780 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.903 2.266 9.178 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.951 3.137 8.033 1.00 0.00 H new ATOM 907 N GLU A 58 -9.275 -1.780 7.573 1.00 0.00 N ATOM 908 CA GLU A 58 -9.838 -3.083 7.240 1.00 0.00 C ATOM 909 C GLU A 58 -11.262 -2.942 6.712 1.00 0.00 C ATOM 910 O GLU A 58 -11.799 -3.860 6.093 1.00 0.00 O ATOM 911 CB GLU A 58 -9.826 -3.997 8.468 1.00 0.00 C ATOM 912 CG GLU A 58 -9.987 -5.470 8.131 1.00 0.00 C ATOM 913 CD GLU A 58 -9.583 -6.378 9.277 1.00 0.00 C ATOM 914 OE1 GLU A 58 -8.454 -6.223 9.787 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.396 -7.243 9.663 1.00 0.00 O ATOM 0 H GLU A 58 -8.877 -1.719 8.510 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.222 -3.527 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.889 -3.856 9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.629 -3.697 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.026 -5.667 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.383 -5.707 7.255 1.00 0.00 H new ATOM 922 N GLU A 59 -11.868 -1.785 6.961 1.00 0.00 N ATOM 923 CA GLU A 59 -13.230 -1.524 6.511 1.00 0.00 C ATOM 924 C GLU A 59 -13.233 -0.896 5.120 1.00 0.00 C ATOM 925 O GLU A 59 -13.810 -1.445 4.182 1.00 0.00 O ATOM 926 CB GLU A 59 -13.950 -0.605 7.499 1.00 0.00 C ATOM 927 CG GLU A 59 -14.933 0.348 6.839 1.00 0.00 C ATOM 928 CD GLU A 59 -16.041 0.785 7.778 1.00 0.00 C ATOM 929 OE1 GLU A 59 -17.036 0.042 7.910 1.00 0.00 O ATOM 930 OE2 GLU A 59 -15.913 1.872 8.380 1.00 0.00 O ATOM 0 H GLU A 59 -11.437 -1.014 7.472 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.757 -2.477 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.483 -1.216 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.209 -0.025 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.397 1.227 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.371 -0.135 5.966 1.00 0.00 H new ATOM 937 N GLU A 60 -12.584 0.258 4.997 1.00 0.00 N ATOM 938 CA GLU A 60 -12.513 0.961 3.721 1.00 0.00 C ATOM 939 C GLU A 60 -12.140 0.004 2.592 1.00 0.00 C ATOM 940 O GLU A 60 -12.641 0.121 1.474 1.00 0.00 O ATOM 941 CB GLU A 60 -11.494 2.100 3.797 1.00 0.00 C ATOM 942 CG GLU A 60 -11.913 3.231 4.721 1.00 0.00 C ATOM 943 CD GLU A 60 -12.938 4.151 4.089 1.00 0.00 C ATOM 944 OE1 GLU A 60 -14.144 3.830 4.154 1.00 0.00 O ATOM 945 OE2 GLU A 60 -12.536 5.192 3.529 1.00 0.00 O ATOM 0 H GLU A 60 -12.101 0.725 5.764 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.498 1.378 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.539 1.700 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.334 2.500 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.324 2.812 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.034 3.811 5.001 1.00 0.00 H new ATOM 952 N PHE A 61 -11.258 -0.942 2.894 1.00 0.00 N ATOM 953 CA PHE A 61 -10.816 -1.918 1.906 1.00 0.00 C ATOM 954 C PHE A 61 -11.976 -2.803 1.458 1.00 0.00 C ATOM 955 O PHE A 61 -12.015 -3.265 0.318 1.00 0.00 O ATOM 956 CB PHE A 61 -9.692 -2.784 2.479 1.00 0.00 C ATOM 957 CG PHE A 61 -8.355 -2.099 2.492 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.896 -1.425 1.372 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.557 -2.129 3.625 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.667 -0.793 1.381 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.327 -1.499 3.640 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.881 -0.831 2.516 1.00 0.00 C ATOM 0 H PHE A 61 -10.835 -1.053 3.815 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.440 -1.374 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.952 -3.076 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.616 -3.701 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.506 -1.393 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.900 -2.651 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.322 -0.270 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.715 -1.529 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.919 -0.339 2.525 1.00 0.00 H new ATOM 972 N SER A 62 -12.919 -3.035 2.366 1.00 0.00 N ATOM 973 CA SER A 62 -14.078 -3.868 2.067 1.00 0.00 C ATOM 974 C SER A 62 -15.104 -3.095 1.244 1.00 0.00 C ATOM 975 O SER A 62 -16.203 -3.586 0.983 1.00 0.00 O ATOM 976 CB SER A 62 -14.720 -4.369 3.362 1.00 0.00 C ATOM 977 OG SER A 62 -16.026 -4.866 3.126 1.00 0.00 O ATOM 0 H SER A 62 -12.903 -2.658 3.314 1.00 0.00 H new ATOM 0 HA SER A 62 -13.739 -4.724 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.102 -5.154 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.762 -3.557 4.088 1.00 0.00 H new ATOM 0 HG SER A 62 -16.227 -4.817 2.168 1.00 0.00 H new ATOM 983 N ARG A 63 -14.737 -1.884 0.838 1.00 0.00 N ATOM 984 CA ARG A 63 -15.625 -1.042 0.045 1.00 0.00 C ATOM 985 C ARG A 63 -15.044 -0.795 -1.343 1.00 0.00 C ATOM 986 O ARG A 63 -13.828 -0.696 -1.510 1.00 0.00 O ATOM 987 CB ARG A 63 -15.866 0.292 0.754 1.00 0.00 C ATOM 988 CG ARG A 63 -16.413 0.142 2.165 1.00 0.00 C ATOM 989 CD ARG A 63 -17.818 -0.441 2.158 1.00 0.00 C ATOM 990 NE ARG A 63 -18.746 0.378 1.383 1.00 0.00 N ATOM 991 CZ ARG A 63 -20.061 0.185 1.369 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.598 -0.794 2.085 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.840 0.972 0.639 1.00 0.00 N ATOM 0 H ARG A 63 -13.831 -1.464 1.045 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.576 -1.563 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.929 0.847 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.564 0.886 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.753 -0.503 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.424 1.114 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.790 -1.449 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -18.180 -0.528 3.183 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.364 1.140 0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -20.002 -1.401 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.607 -0.940 2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.430 1.726 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.849 0.823 0.629 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.920 -0.696 -2.337 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.494 -0.459 -3.711 1.00 0.00 C ATOM 1009 C ALA A 64 -14.810 0.897 -3.847 1.00 0.00 C ATOM 1010 O ALA A 64 -14.917 1.764 -2.979 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.684 -0.549 -4.656 1.00 0.00 C ATOM 0 H ALA A 64 -16.930 -0.776 -2.217 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.772 -1.230 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.351 -0.370 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.129 -1.542 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.426 0.200 -4.379 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.088 1.088 -4.961 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.953 0.063 -6.002 1.00 0.00 C ATOM 1019 C PRO A 65 -13.111 -1.122 -5.542 1.00 0.00 C ATOM 1020 O PRO A 65 -13.143 -2.192 -6.151 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.252 0.806 -7.142 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.512 1.913 -6.474 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.348 2.317 -5.292 1.00 0.00 C ATOM 0 HA PRO A 65 -14.916 -0.364 -6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.574 0.148 -7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.971 1.190 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.522 1.585 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.368 2.752 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.730 2.651 -4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.022 3.138 -5.538 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.361 -0.926 -4.464 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.509 -1.979 -3.923 1.00 0.00 C ATOM 1033 C TYR A 66 -12.324 -3.230 -3.607 1.00 0.00 C ATOM 1034 O TYR A 66 -11.935 -4.345 -3.956 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.795 -1.489 -2.663 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.482 -0.010 -2.679 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.737 0.551 -3.709 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.932 0.827 -1.666 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.448 1.902 -3.728 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.650 2.179 -1.678 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.908 2.712 -2.711 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.623 4.058 -2.726 1.00 0.00 O ATOM 0 H TYR A 66 -12.325 -0.048 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.765 -2.234 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.416 -1.711 -1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.866 -2.047 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.378 -0.080 -4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.513 0.413 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.865 2.321 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.009 2.815 -0.883 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.021 4.485 -1.939 1.00 0.00 H new ATOM 1052 N THR A 67 -13.458 -3.036 -2.941 1.00 0.00 N ATOM 1053 CA THR A 67 -14.329 -4.147 -2.576 1.00 0.00 C ATOM 1054 C THR A 67 -13.526 -5.421 -2.344 1.00 0.00 C ATOM 1055 O THR A 67 -13.961 -6.515 -2.708 1.00 0.00 O ATOM 1056 CB THR A 67 -15.388 -4.411 -3.663 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.513 -5.091 -3.095 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.805 -5.242 -4.796 1.00 0.00 C ATOM 0 H THR A 67 -13.795 -2.120 -2.643 1.00 0.00 H new ATOM 0 HA THR A 67 -14.832 -3.864 -1.651 1.00 0.00 H new ATOM 0 HB THR A 67 -15.710 -3.451 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 67 -16.214 -5.924 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.571 -5.416 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.967 -4.708 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.458 -6.198 -4.405 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.354 -5.274 -1.736 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.491 -6.415 -1.454 1.00 0.00 C ATOM 1068 C ILE A 68 -12.261 -7.523 -0.743 1.00 0.00 C ATOM 1069 O ILE A 68 -12.439 -7.486 0.473 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.284 -6.008 -0.590 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.438 -4.961 -1.317 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.444 -7.229 -0.244 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.463 -4.238 -0.414 1.00 0.00 C ATOM 0 H ILE A 68 -11.980 -4.376 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.131 -6.784 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.652 -5.570 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.885 -5.447 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.100 -4.231 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.594 -6.925 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.052 -7.944 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.083 -7.694 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.897 -3.511 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.011 -3.723 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.777 -4.958 0.032 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.713 -8.509 -1.512 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.463 -9.629 -0.955 1.00 0.00 C ATOM 1087 C GLU A 69 -12.520 -10.685 -0.384 1.00 0.00 C ATOM 1088 O GLU A 69 -12.911 -11.492 0.458 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.359 -10.255 -2.025 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.298 -9.262 -2.689 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.471 -9.937 -3.374 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.234 -10.809 -4.236 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.626 -9.593 -3.047 1.00 0.00 O ATOM 0 H GLU A 69 -12.573 -8.555 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.087 -9.248 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.732 -10.716 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.948 -11.053 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.672 -8.564 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.743 -8.676 -3.421 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.275 -10.672 -0.850 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.276 -11.628 -0.388 1.00 0.00 C ATOM 1102 C ASN A 70 -9.592 -11.130 0.882 1.00 0.00 C ATOM 1103 O ASN A 70 -8.584 -10.425 0.820 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.233 -11.876 -1.479 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.531 -13.210 -1.316 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -8.596 -13.833 -0.257 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.854 -13.655 -2.369 1.00 0.00 N ATOM 0 H ASN A 70 -10.934 -10.010 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.784 -12.565 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.717 -11.840 -2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.494 -11.075 -1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.361 -14.547 -2.319 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.827 -13.105 -3.228 1.00 0.00 H new ATOM 1114 N SER A 71 -10.147 -11.500 2.031 1.00 0.00 N ATOM 1115 CA SER A 71 -9.592 -11.088 3.315 1.00 0.00 C ATOM 1116 C SER A 71 -8.067 -11.110 3.281 1.00 0.00 C ATOM 1117 O SER A 71 -7.413 -10.144 3.674 1.00 0.00 O ATOM 1118 CB SER A 71 -10.101 -12.002 4.431 1.00 0.00 C ATOM 1119 OG SER A 71 -11.484 -11.800 4.665 1.00 0.00 O ATOM 0 H SER A 71 -10.980 -12.084 2.099 1.00 0.00 H new ATOM 0 HA SER A 71 -9.919 -10.067 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.923 -13.043 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.542 -11.809 5.347 1.00 0.00 H new ATOM 0 HG SER A 71 -11.785 -12.397 5.381 1.00 0.00 H new ATOM 1125 N SER A 72 -7.508 -12.219 2.807 1.00 0.00 N ATOM 1126 CA SER A 72 -6.060 -12.369 2.724 1.00 0.00 C ATOM 1127 C SER A 72 -5.403 -11.067 2.274 1.00 0.00 C ATOM 1128 O SER A 72 -4.423 -10.615 2.867 1.00 0.00 O ATOM 1129 CB SER A 72 -5.698 -13.498 1.757 1.00 0.00 C ATOM 1130 OG SER A 72 -6.141 -14.751 2.247 1.00 0.00 O ATOM 0 H SER A 72 -8.036 -13.026 2.475 1.00 0.00 H new ATOM 0 HA SER A 72 -5.688 -12.618 3.718 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.148 -13.305 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.618 -13.523 1.610 1.00 0.00 H new ATOM 0 HG SER A 72 -5.899 -15.455 1.610 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.951 -10.470 1.220 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.419 -9.219 0.689 1.00 0.00 C ATOM 1138 C HIS A 73 -5.359 -8.150 1.775 1.00 0.00 C ATOM 1139 O HIS A 73 -4.346 -7.470 1.935 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.279 -8.731 -0.478 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.699 -7.551 -1.195 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.326 -6.324 -1.257 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.541 -7.414 -1.883 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.581 -5.485 -1.952 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.491 -6.121 -2.343 1.00 0.00 N ATOM 0 H HIS A 73 -6.762 -10.831 0.717 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.406 -9.405 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.412 -9.548 -1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.269 -8.469 -0.105 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.795 -8.179 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.822 -4.454 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.735 -5.717 -2.896 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.452 -8.006 2.519 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.524 -7.018 3.588 1.00 0.00 C ATOM 1156 C ARG A 74 -5.486 -7.309 4.668 1.00 0.00 C ATOM 1157 O ARG A 74 -4.949 -6.393 5.291 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.924 -7.001 4.203 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.924 -6.167 3.419 1.00 0.00 C ATOM 1160 CD ARG A 74 -10.202 -5.938 4.211 1.00 0.00 C ATOM 1161 NE ARG A 74 -11.190 -6.986 3.970 1.00 0.00 N ATOM 1162 CZ ARG A 74 -12.259 -7.178 4.734 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.477 -6.397 5.783 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -13.113 -8.153 4.450 1.00 0.00 N ATOM 0 H ARG A 74 -7.299 -8.561 2.400 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.312 -6.039 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.293 -8.024 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.860 -6.615 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.477 -5.207 3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.161 -6.669 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.967 -5.899 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.627 -4.971 3.942 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.051 -7.605 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.823 -5.647 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.299 -6.547 6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.949 -8.756 3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.934 -8.299 5.038 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.209 -8.591 4.885 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.237 -9.003 5.890 1.00 0.00 C ATOM 1180 C ARG A 75 -2.818 -8.658 5.449 1.00 0.00 C ATOM 1181 O ARG A 75 -1.995 -8.218 6.252 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.349 -10.506 6.154 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.706 -10.945 7.459 1.00 0.00 C ATOM 1184 CD ARG A 75 -2.242 -11.309 7.263 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.711 -12.065 8.394 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.413 -12.249 8.610 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.481 -11.734 7.777 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.007 -12.950 9.661 1.00 0.00 N ATOM 0 H ARG A 75 -5.644 -9.362 4.378 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.454 -8.462 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.402 -10.787 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.884 -11.047 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.788 -10.144 8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.245 -11.803 7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.133 -11.896 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.657 -10.399 7.128 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.373 -12.474 9.054 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.173 -11.195 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.477 -11.877 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.692 -13.348 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.990 -13.091 9.826 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.537 -8.861 4.165 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.218 -8.571 3.616 1.00 0.00 C ATOM 1204 C VAL A 76 -0.918 -7.077 3.665 1.00 0.00 C ATOM 1205 O VAL A 76 0.040 -6.647 4.308 1.00 0.00 O ATOM 1206 CB VAL A 76 -1.096 -9.060 2.160 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.284 -8.746 1.605 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.389 -10.550 2.073 1.00 0.00 C ATOM 0 H VAL A 76 -3.206 -9.225 3.486 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.495 -9.104 4.233 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.833 -8.532 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.351 -9.099 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.450 -7.669 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.041 -9.245 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.298 -10.879 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.677 -11.097 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.401 -10.743 2.428 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.744 -6.291 2.983 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.568 -4.844 2.951 1.00 0.00 C ATOM 1220 C ILE A 77 -1.468 -4.271 4.360 1.00 0.00 C ATOM 1221 O ILE A 77 -0.471 -3.642 4.717 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.726 -4.153 2.208 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.648 -4.447 0.709 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.697 -2.653 2.461 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.834 -3.924 -0.072 1.00 0.00 C ATOM 0 H ILE A 77 -2.541 -6.631 2.445 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.638 -4.651 2.417 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.668 -4.548 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.736 -4.006 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.573 -5.524 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.522 -2.178 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.797 -2.462 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.752 -2.242 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.711 -4.168 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.748 -4.384 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.898 -2.842 0.045 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.506 -4.494 5.158 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.535 -4.001 6.531 1.00 0.00 C ATOM 1239 C LEU A 78 -1.273 -4.410 7.284 1.00 0.00 C ATOM 1240 O LEU A 78 -0.455 -3.567 7.652 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.772 -4.533 7.259 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.101 -3.871 6.894 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.254 -4.842 7.098 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.312 -2.609 7.717 1.00 0.00 C ATOM 0 H LEU A 78 -3.339 -5.013 4.878 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.580 -2.912 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.854 -5.602 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.615 -4.419 8.332 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.069 -3.592 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.192 -4.354 6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.109 -5.717 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.288 -5.152 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.263 -2.151 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.323 -2.863 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.502 -1.907 7.521 1.00 0.00 H new ATOM 1256 N THR A 79 -1.120 -5.712 7.507 1.00 0.00 N ATOM 1257 CA THR A 79 0.043 -6.234 8.214 1.00 0.00 C ATOM 1258 C THR A 79 1.326 -5.566 7.732 1.00 0.00 C ATOM 1259 O THR A 79 2.056 -4.964 8.518 1.00 0.00 O ATOM 1260 CB THR A 79 0.172 -7.758 8.035 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.007 -8.410 8.519 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.391 -8.289 8.774 1.00 0.00 C ATOM 0 H THR A 79 -1.787 -6.424 7.208 1.00 0.00 H new ATOM 0 HA THR A 79 -0.104 -6.011 9.271 1.00 0.00 H new ATOM 0 HB THR A 79 0.292 -7.967 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.742 -8.269 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.461 -9.368 8.633 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.290 -7.813 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.297 -8.068 9.837 1.00 0.00 H new ATOM 1270 N GLU A 80 1.593 -5.676 6.434 1.00 0.00 N ATOM 1271 CA GLU A 80 2.788 -5.082 5.848 1.00 0.00 C ATOM 1272 C GLU A 80 2.871 -3.593 6.171 1.00 0.00 C ATOM 1273 O GLU A 80 3.942 -3.072 6.482 1.00 0.00 O ATOM 1274 CB GLU A 80 2.796 -5.288 4.332 1.00 0.00 C ATOM 1275 CG GLU A 80 3.229 -6.681 3.908 1.00 0.00 C ATOM 1276 CD GLU A 80 4.727 -6.786 3.693 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.468 -5.971 4.281 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.157 -7.683 2.938 1.00 0.00 O ATOM 0 H GLU A 80 0.998 -6.171 5.769 1.00 0.00 H new ATOM 0 HA GLU A 80 3.658 -5.578 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.797 -5.093 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.464 -4.556 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.924 -7.400 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.714 -6.953 2.987 1.00 0.00 H new ATOM 1285 N LEU A 81 1.732 -2.914 6.094 1.00 0.00 N ATOM 1286 CA LEU A 81 1.673 -1.484 6.377 1.00 0.00 C ATOM 1287 C LEU A 81 2.130 -1.192 7.803 1.00 0.00 C ATOM 1288 O LEU A 81 2.798 -0.191 8.057 1.00 0.00 O ATOM 1289 CB LEU A 81 0.251 -0.960 6.168 1.00 0.00 C ATOM 1290 CG LEU A 81 0.132 0.498 5.724 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.490 0.640 4.253 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.273 1.022 5.986 1.00 0.00 C ATOM 0 H LEU A 81 0.837 -3.330 5.838 1.00 0.00 H new ATOM 0 HA LEU A 81 2.346 -0.975 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.240 -1.587 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.300 -1.081 7.101 1.00 0.00 H new ATOM 0 HG LEU A 81 0.835 1.093 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.399 1.685 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.515 0.305 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.187 0.032 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.340 2.061 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.994 0.423 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.492 0.958 7.052 1.00 0.00 H new ATOM 1304 N GLU A 82 1.767 -2.075 8.728 1.00 0.00 N ATOM 1305 CA GLU A 82 2.141 -1.912 10.127 1.00 0.00 C ATOM 1306 C GLU A 82 3.658 -1.845 10.281 1.00 0.00 C ATOM 1307 O GLU A 82 4.174 -1.148 11.154 1.00 0.00 O ATOM 1308 CB GLU A 82 1.584 -3.065 10.965 1.00 0.00 C ATOM 1309 CG GLU A 82 2.124 -3.102 12.385 1.00 0.00 C ATOM 1310 CD GLU A 82 3.581 -3.515 12.444 1.00 0.00 C ATOM 1311 OE1 GLU A 82 3.959 -4.460 11.721 1.00 0.00 O ATOM 1312 OE2 GLU A 82 4.344 -2.893 13.213 1.00 0.00 O ATOM 0 H GLU A 82 1.215 -2.910 8.533 1.00 0.00 H new ATOM 0 HA GLU A 82 1.715 -0.974 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.497 -2.985 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.819 -4.008 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.011 -2.117 12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.529 -3.797 12.978 1.00 0.00 H new ATOM 1319 N ARG A 83 4.366 -2.575 9.425 1.00 0.00 N ATOM 1320 CA ARG A 83 5.823 -2.601 9.466 1.00 0.00 C ATOM 1321 C ARG A 83 6.406 -1.305 8.908 1.00 0.00 C ATOM 1322 O ARG A 83 7.021 -0.525 9.635 1.00 0.00 O ATOM 1323 CB ARG A 83 6.356 -3.795 8.672 1.00 0.00 C ATOM 1324 CG ARG A 83 5.737 -5.122 9.079 1.00 0.00 C ATOM 1325 CD ARG A 83 6.680 -6.283 8.806 1.00 0.00 C ATOM 1326 NE ARG A 83 7.722 -6.394 9.824 1.00 0.00 N ATOM 1327 CZ ARG A 83 8.443 -7.492 10.020 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.237 -8.568 9.273 1.00 0.00 N ATOM 1329 NH2 ARG A 83 9.373 -7.515 10.966 1.00 0.00 N ATOM 0 H ARG A 83 3.954 -3.156 8.695 1.00 0.00 H new ATOM 0 HA ARG A 83 6.130 -2.699 10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.170 -3.627 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.437 -3.853 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.486 -5.098 10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.805 -5.273 8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.110 -7.211 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.142 -6.152 7.827 1.00 0.00 H new ATOM 0 HE ARG A 83 7.906 -5.584 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.523 -8.554 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.793 -9.409 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.534 -6.689 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.927 -8.358 11.116 1.00 0.00 H new ATOM 1343 N VAL A 84 6.207 -1.083 7.613 1.00 0.00 N ATOM 1344 CA VAL A 84 6.712 0.118 6.957 1.00 0.00 C ATOM 1345 C VAL A 84 6.449 1.358 7.805 1.00 0.00 C ATOM 1346 O VAL A 84 7.338 2.187 8.002 1.00 0.00 O ATOM 1347 CB VAL A 84 6.070 0.312 5.571 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.577 -0.739 4.595 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.553 0.267 5.675 1.00 0.00 C ATOM 0 H VAL A 84 5.700 -1.719 6.997 1.00 0.00 H new ATOM 0 HA VAL A 84 7.787 -0.015 6.836 1.00 0.00 H new ATOM 0 HB VAL A 84 6.356 1.293 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.112 -0.586 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.659 -0.653 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.323 -1.732 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.116 0.406 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.244 -0.698 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.210 1.061 6.338 1.00 0.00 H new ATOM 1359 N ARG A 85 5.224 1.479 8.304 1.00 0.00 N ATOM 1360 CA ARG A 85 4.844 2.618 9.130 1.00 0.00 C ATOM 1361 C ARG A 85 5.556 2.573 10.479 1.00 0.00 C ATOM 1362 O ARG A 85 6.038 3.593 10.972 1.00 0.00 O ATOM 1363 CB ARG A 85 3.329 2.639 9.342 1.00 0.00 C ATOM 1364 CG ARG A 85 2.872 1.843 10.553 1.00 0.00 C ATOM 1365 CD ARG A 85 1.358 1.702 10.588 1.00 0.00 C ATOM 1366 NE ARG A 85 0.716 2.845 11.231 1.00 0.00 N ATOM 1367 CZ ARG A 85 0.778 3.084 12.537 1.00 0.00 C ATOM 1368 NH1 ARG A 85 1.450 2.264 13.333 1.00 0.00 N ATOM 1369 NH2 ARG A 85 0.168 4.145 13.048 1.00 0.00 N ATOM 0 H ARG A 85 4.477 0.802 8.151 1.00 0.00 H new ATOM 0 HA ARG A 85 5.144 3.528 8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.000 3.672 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.841 2.242 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.330 0.854 10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.214 2.335 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.980 1.599 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.091 0.789 11.121 1.00 0.00 H new ATOM 0 HE ARG A 85 0.191 3.495 10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.921 1.447 12.944 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.496 2.450 14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.349 4.779 12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.216 4.327 14.050 1.00 0.00 H new ATOM 1383 N SER A 86 5.616 1.384 11.071 1.00 0.00 N ATOM 1384 CA SER A 86 6.265 1.207 12.365 1.00 0.00 C ATOM 1385 C SER A 86 7.630 0.544 12.202 1.00 0.00 C ATOM 1386 O SER A 86 7.728 -0.676 12.073 1.00 0.00 O ATOM 1387 CB SER A 86 5.384 0.366 13.290 1.00 0.00 C ATOM 1388 OG SER A 86 5.712 0.590 14.650 1.00 0.00 O ATOM 0 H SER A 86 5.223 0.530 10.675 1.00 0.00 H new ATOM 0 HA SER A 86 6.410 2.192 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.336 0.611 13.121 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.507 -0.691 13.052 1.00 0.00 H new ATOM 0 HG SER A 86 5.134 0.042 15.221 1.00 0.00 H new ATOM 1394 N GLY A 87 8.681 1.358 12.208 1.00 0.00 N ATOM 1395 CA GLY A 87 10.026 0.834 12.060 1.00 0.00 C ATOM 1396 C GLY A 87 10.929 1.219 13.215 1.00 0.00 C ATOM 1397 O GLY A 87 10.807 2.300 13.793 1.00 0.00 O ATOM 0 H GLY A 87 8.625 2.371 12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.983 -0.252 11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.456 1.203 11.129 1.00 0.00 H new ATOM 1401 N PRO A 88 11.859 0.320 13.570 1.00 0.00 N ATOM 1402 CA PRO A 88 12.804 0.549 14.668 1.00 0.00 C ATOM 1403 C PRO A 88 13.830 1.626 14.334 1.00 0.00 C ATOM 1404 O PRO A 88 14.261 1.753 13.188 1.00 0.00 O ATOM 1405 CB PRO A 88 13.489 -0.809 14.835 1.00 0.00 C ATOM 1406 CG PRO A 88 13.367 -1.462 13.502 1.00 0.00 C ATOM 1407 CD PRO A 88 12.061 -0.988 12.926 1.00 0.00 C ATOM 0 HA PRO A 88 12.304 0.903 15.569 1.00 0.00 H new ATOM 0 HB2 PRO A 88 14.533 -0.692 15.124 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.007 -1.402 15.612 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.201 -1.188 12.856 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.380 -2.548 13.597 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.109 -0.898 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.248 -1.678 13.153 1.00 0.00 H new ATOM 1415 N SER A 89 14.219 2.400 15.342 1.00 0.00 N ATOM 1416 CA SER A 89 15.194 3.468 15.155 1.00 0.00 C ATOM 1417 C SER A 89 16.602 2.900 15.011 1.00 0.00 C ATOM 1418 O SER A 89 17.261 2.587 16.002 1.00 0.00 O ATOM 1419 CB SER A 89 15.143 4.445 16.331 1.00 0.00 C ATOM 1420 OG SER A 89 16.154 5.432 16.218 1.00 0.00 O ATOM 0 H SER A 89 13.874 2.307 16.297 1.00 0.00 H new ATOM 0 HA SER A 89 14.941 4.001 14.238 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.165 4.924 16.367 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.266 3.900 17.267 1.00 0.00 H new ATOM 0 HG SER A 89 16.099 6.045 16.981 1.00 0.00 H new ATOM 1426 N SER A 90 17.057 2.770 13.769 1.00 0.00 N ATOM 1427 CA SER A 90 18.385 2.236 13.493 1.00 0.00 C ATOM 1428 C SER A 90 19.443 3.330 13.598 1.00 0.00 C ATOM 1429 O SER A 90 19.144 4.514 13.454 1.00 0.00 O ATOM 1430 CB SER A 90 18.425 1.604 12.100 1.00 0.00 C ATOM 1431 OG SER A 90 18.017 0.248 12.143 1.00 0.00 O ATOM 0 H SER A 90 16.525 3.027 12.938 1.00 0.00 H new ATOM 0 HA SER A 90 18.603 1.471 14.238 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.775 2.161 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.435 1.670 11.696 1.00 0.00 H new ATOM 0 HG SER A 90 18.050 -0.132 11.240 1.00 0.00 H new ATOM 1437 N GLY A 91 20.684 2.923 13.851 1.00 0.00 N ATOM 1438 CA GLY A 91 21.768 3.880 13.972 1.00 0.00 C ATOM 1439 C GLY A 91 21.550 4.863 15.105 1.00 0.00 C ATOM 1440 O GLY A 91 22.186 5.916 15.153 1.00 0.00 O ATOM 0 H GLY A 91 20.957 1.948 13.974 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.704 3.345 14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.872 4.427 13.035 1.00 0.00 H new TER 1444 GLY A 91