USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 702 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+ 134:sc= 0.0514 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.145 USER MOD Single : A 11 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.52) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc=-0.00739 (180deg=-0.272) USER MOD Single : A 17 ASN : amide:sc= -6.12! C(o=-6.1!,f=-7.5!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 0.0108 (180deg=0) USER MOD Single : A 20 TYR OH : rot 0:sc= -3.03! USER MOD Single : A 27 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -1.04 USER MOD Single : A 47 THR OG1 : rot -110:sc= 1.27 USER MOD Single : A 57 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.1!) USER MOD Single : A 59 ASN : amide:sc= 0.688 K(o=0.69,f=-6.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 157:sc= 2.07 USER MOD Single : A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 158:sc= -1.47 (180deg=-1.84) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.306 8.005 -13.938 1.00 0.00 N ATOM 2 CA GLY A 1 -5.887 7.803 -13.697 1.00 0.00 C ATOM 3 C GLY A 1 -5.090 9.069 -14.022 1.00 0.00 C ATOM 4 O GLY A 1 -5.474 9.839 -14.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.688 7.192 -14.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.803 8.096 -13.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.443 8.872 -14.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.727 7.526 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.525 6.975 -14.306 1.00 0.00 H new ATOM 8 N SER A 2 -3.997 9.243 -13.295 1.00 0.00 N ATOM 9 CA SER A 2 -3.143 10.403 -13.495 1.00 0.00 C ATOM 10 C SER A 2 -2.059 10.083 -14.527 1.00 0.00 C ATOM 11 O SER A 2 -1.215 9.218 -14.297 1.00 0.00 O ATOM 12 CB SER A 2 -2.506 10.851 -12.179 1.00 0.00 C ATOM 13 OG SER A 2 -1.556 11.895 -12.374 1.00 0.00 O ATOM 0 H SER A 2 -3.682 8.602 -12.567 1.00 0.00 H new ATOM 0 HA SER A 2 -3.760 11.222 -13.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.285 11.192 -11.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.017 10.000 -11.705 1.00 0.00 H new ATOM 0 HG SER A 2 -1.173 12.154 -11.510 1.00 0.00 H new ATOM 19 N SER A 3 -2.119 10.797 -15.641 1.00 0.00 N ATOM 20 CA SER A 3 -1.153 10.600 -16.709 1.00 0.00 C ATOM 21 C SER A 3 0.125 11.387 -16.410 1.00 0.00 C ATOM 22 O SER A 3 0.314 12.489 -16.922 1.00 0.00 O ATOM 23 CB SER A 3 -1.731 11.021 -18.060 1.00 0.00 C ATOM 24 OG SER A 3 -2.940 10.328 -18.363 1.00 0.00 O ATOM 0 H SER A 3 -2.821 11.513 -15.828 1.00 0.00 H new ATOM 0 HA SER A 3 -0.915 9.538 -16.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.920 12.094 -18.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.998 10.830 -18.843 1.00 0.00 H new ATOM 0 HG SER A 3 -3.279 10.626 -19.233 1.00 0.00 H new ATOM 30 N GLY A 4 0.970 10.789 -15.582 1.00 0.00 N ATOM 31 CA GLY A 4 2.224 11.421 -15.210 1.00 0.00 C ATOM 32 C GLY A 4 2.863 10.709 -14.016 1.00 0.00 C ATOM 33 O GLY A 4 2.730 9.494 -13.869 1.00 0.00 O ATOM 0 H GLY A 4 0.811 9.875 -15.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.909 11.404 -16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.049 12.468 -14.963 1.00 0.00 H new ATOM 37 N SER A 5 3.544 11.494 -13.194 1.00 0.00 N ATOM 38 CA SER A 5 4.204 10.953 -12.018 1.00 0.00 C ATOM 39 C SER A 5 3.165 10.593 -10.954 1.00 0.00 C ATOM 40 O SER A 5 2.341 11.425 -10.578 1.00 0.00 O ATOM 41 CB SER A 5 5.221 11.947 -11.452 1.00 0.00 C ATOM 42 OG SER A 5 6.557 11.610 -11.817 1.00 0.00 O ATOM 0 H SER A 5 3.653 12.500 -13.319 1.00 0.00 H new ATOM 0 HA SER A 5 4.742 10.051 -12.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.988 12.949 -11.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.137 11.972 -10.366 1.00 0.00 H new ATOM 0 HG SER A 5 7.176 12.269 -11.438 1.00 0.00 H new ATOM 48 N SER A 6 3.237 9.351 -10.499 1.00 0.00 N ATOM 49 CA SER A 6 2.313 8.870 -9.486 1.00 0.00 C ATOM 50 C SER A 6 3.083 8.158 -8.371 1.00 0.00 C ATOM 51 O SER A 6 3.568 7.044 -8.560 1.00 0.00 O ATOM 52 CB SER A 6 1.270 7.931 -10.094 1.00 0.00 C ATOM 53 OG SER A 6 1.863 6.945 -10.934 1.00 0.00 O ATOM 0 H SER A 6 3.921 8.663 -10.813 1.00 0.00 H new ATOM 0 HA SER A 6 1.789 9.728 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.715 7.440 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.551 8.513 -10.670 1.00 0.00 H new ATOM 0 HG SER A 6 2.670 6.592 -10.505 1.00 0.00 H new ATOM 59 N GLY A 7 3.171 8.831 -7.233 1.00 0.00 N ATOM 60 CA GLY A 7 3.874 8.277 -6.089 1.00 0.00 C ATOM 61 C GLY A 7 2.925 7.462 -5.205 1.00 0.00 C ATOM 62 O GLY A 7 3.203 6.307 -4.890 1.00 0.00 O ATOM 0 H GLY A 7 2.767 9.755 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.692 7.643 -6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.319 9.083 -5.505 1.00 0.00 H new ATOM 66 N LEU A 8 1.825 8.098 -4.832 1.00 0.00 N ATOM 67 CA LEU A 8 0.834 7.448 -3.991 1.00 0.00 C ATOM 68 C LEU A 8 0.633 6.008 -4.467 1.00 0.00 C ATOM 69 O LEU A 8 0.618 5.079 -3.661 1.00 0.00 O ATOM 70 CB LEU A 8 -0.457 8.268 -3.951 1.00 0.00 C ATOM 71 CG LEU A 8 -0.327 9.697 -3.420 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.507 10.560 -3.874 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.163 9.705 -1.899 1.00 0.00 C ATOM 0 H LEU A 8 1.598 9.057 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 8 1.184 7.398 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.867 8.312 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.182 7.737 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 8 0.576 10.137 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.390 11.571 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.536 10.593 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.437 10.131 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.073 10.733 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.033 9.239 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.734 9.149 -1.627 1.00 0.00 H new ATOM 85 N ARG A 9 0.484 5.868 -5.776 1.00 0.00 N ATOM 86 CA ARG A 9 0.284 4.556 -6.369 1.00 0.00 C ATOM 87 C ARG A 9 1.281 3.553 -5.787 1.00 0.00 C ATOM 88 O ARG A 9 0.886 2.578 -5.149 1.00 0.00 O ATOM 89 CB ARG A 9 0.453 4.609 -7.890 1.00 0.00 C ATOM 90 CG ARG A 9 0.193 3.238 -8.517 1.00 0.00 C ATOM 91 CD ARG A 9 -1.286 3.067 -8.868 1.00 0.00 C ATOM 92 NE ARG A 9 -1.493 3.291 -10.316 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.885 4.457 -10.848 1.00 0.00 C ATOM 94 NH1 ARG A 9 -2.116 5.512 -10.053 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.047 4.568 -12.174 1.00 0.00 N ATOM 0 H ARG A 9 0.498 6.640 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.733 4.238 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.235 5.342 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.462 4.940 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.799 3.124 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.499 2.454 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.619 2.066 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.888 3.771 -8.293 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.327 2.509 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.993 5.427 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.414 6.400 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.872 3.765 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.345 5.455 -12.579 1.00 0.00 H new ATOM 109 N GLU A 10 2.556 3.825 -6.026 1.00 0.00 N ATOM 110 CA GLU A 10 3.613 2.959 -5.533 1.00 0.00 C ATOM 111 C GLU A 10 3.514 2.814 -4.013 1.00 0.00 C ATOM 112 O GLU A 10 3.458 1.700 -3.494 1.00 0.00 O ATOM 113 CB GLU A 10 4.989 3.482 -5.946 1.00 0.00 C ATOM 114 CG GLU A 10 5.507 2.745 -7.183 1.00 0.00 C ATOM 115 CD GLU A 10 7.019 2.525 -7.097 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.734 3.541 -6.958 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.425 1.346 -7.171 1.00 0.00 O ATOM 0 H GLU A 10 2.881 4.634 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 10 3.487 1.974 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.929 4.550 -6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.692 3.356 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.001 1.784 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.270 3.319 -8.079 1.00 0.00 H new ATOM 124 N GLN A 11 3.497 3.957 -3.342 1.00 0.00 N ATOM 125 CA GLN A 11 3.406 3.972 -1.892 1.00 0.00 C ATOM 126 C GLN A 11 2.422 2.904 -1.411 1.00 0.00 C ATOM 127 O GLN A 11 2.668 2.236 -0.406 1.00 0.00 O ATOM 128 CB GLN A 11 3.005 5.357 -1.382 1.00 0.00 C ATOM 129 CG GLN A 11 4.027 6.414 -1.804 1.00 0.00 C ATOM 130 CD GLN A 11 4.127 7.528 -0.759 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.185 7.290 0.435 1.00 0.00 O ATOM 132 NE2 GLN A 11 4.145 8.753 -1.276 1.00 0.00 N ATOM 0 H GLN A 11 3.545 4.879 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 11 4.390 3.742 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.022 5.621 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.923 5.339 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.003 5.948 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.741 6.838 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.093 8.881 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.211 9.565 -0.662 1.00 0.00 H new ATOM 141 N VAL A 12 1.330 2.775 -2.149 1.00 0.00 N ATOM 142 CA VAL A 12 0.307 1.800 -1.810 1.00 0.00 C ATOM 143 C VAL A 12 0.834 0.393 -2.103 1.00 0.00 C ATOM 144 O VAL A 12 0.804 -0.478 -1.235 1.00 0.00 O ATOM 145 CB VAL A 12 -0.989 2.119 -2.555 1.00 0.00 C ATOM 146 CG1 VAL A 12 -1.978 0.956 -2.461 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.616 3.415 -2.034 1.00 0.00 C ATOM 0 H VAL A 12 1.131 3.330 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 12 0.073 1.846 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.743 2.264 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.891 1.210 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.533 0.064 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.216 0.764 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.537 3.619 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.840 3.310 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.918 4.240 -2.178 1.00 0.00 H new ATOM 157 N LYS A 13 1.304 0.216 -3.329 1.00 0.00 N ATOM 158 CA LYS A 13 1.836 -1.071 -3.746 1.00 0.00 C ATOM 159 C LYS A 13 2.733 -1.631 -2.641 1.00 0.00 C ATOM 160 O LYS A 13 2.651 -2.813 -2.309 1.00 0.00 O ATOM 161 CB LYS A 13 2.536 -0.945 -5.101 1.00 0.00 C ATOM 162 CG LYS A 13 1.522 -0.953 -6.246 1.00 0.00 C ATOM 163 CD LYS A 13 2.048 -0.171 -7.451 1.00 0.00 C ATOM 164 CE LYS A 13 2.243 -1.090 -8.659 1.00 0.00 C ATOM 165 NZ LYS A 13 3.222 -2.155 -8.345 1.00 0.00 N ATOM 0 H LYS A 13 1.328 0.941 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 13 1.028 -1.788 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.115 -0.022 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.240 -1.767 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.309 -1.981 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.582 -0.517 -5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.349 0.626 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.995 0.305 -7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.290 -1.536 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.590 -0.509 -9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.624 -2.529 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.984 -1.763 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.746 -2.923 -7.829 1.00 0.00 H new ATOM 179 N GLU A 14 3.568 -0.757 -2.100 1.00 0.00 N ATOM 180 CA GLU A 14 4.478 -1.149 -1.038 1.00 0.00 C ATOM 181 C GLU A 14 3.701 -1.435 0.249 1.00 0.00 C ATOM 182 O GLU A 14 4.069 -2.323 1.016 1.00 0.00 O ATOM 183 CB GLU A 14 5.546 -0.078 -0.807 1.00 0.00 C ATOM 184 CG GLU A 14 6.493 0.019 -2.005 1.00 0.00 C ATOM 185 CD GLU A 14 7.920 0.335 -1.551 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.338 -0.262 -0.535 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.560 1.167 -2.230 1.00 0.00 O ATOM 0 H GLU A 14 3.634 0.222 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 14 4.987 -2.063 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.068 0.887 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.115 -0.314 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.483 -0.920 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.144 0.794 -2.687 1.00 0.00 H new ATOM 194 N LEU A 15 2.641 -0.664 0.446 1.00 0.00 N ATOM 195 CA LEU A 15 1.810 -0.823 1.627 1.00 0.00 C ATOM 196 C LEU A 15 1.260 -2.251 1.670 1.00 0.00 C ATOM 197 O LEU A 15 1.631 -3.035 2.542 1.00 0.00 O ATOM 198 CB LEU A 15 0.724 0.254 1.667 1.00 0.00 C ATOM 199 CG LEU A 15 -0.576 -0.129 2.379 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.411 -0.052 3.898 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.744 0.727 1.886 1.00 0.00 C ATOM 0 H LEU A 15 2.339 0.072 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 15 2.402 -0.681 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.135 1.138 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.484 0.538 0.642 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.809 -1.165 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.348 -0.329 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.376 -0.737 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.142 0.965 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.655 0.434 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.534 1.778 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.876 0.579 0.814 1.00 0.00 H new ATOM 213 N PHE A 16 0.387 -2.545 0.718 1.00 0.00 N ATOM 214 CA PHE A 16 -0.215 -3.864 0.636 1.00 0.00 C ATOM 215 C PHE A 16 0.849 -4.960 0.725 1.00 0.00 C ATOM 216 O PHE A 16 0.634 -5.990 1.363 1.00 0.00 O ATOM 217 CB PHE A 16 -0.912 -3.955 -0.723 1.00 0.00 C ATOM 218 CG PHE A 16 -2.239 -3.196 -0.794 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.176 -3.375 0.175 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.481 -2.344 -1.825 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.409 -2.672 0.109 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.712 -1.640 -1.891 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.650 -1.819 -0.922 1.00 0.00 C ATOM 0 H PHE A 16 0.082 -1.892 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.913 -4.005 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.242 -3.567 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.092 -5.004 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.983 -4.051 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.736 -2.203 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.154 -2.815 0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.904 -0.963 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.586 -1.283 -0.972 1.00 0.00 H new ATOM 233 N ASN A 17 1.974 -4.701 0.075 1.00 0.00 N ATOM 234 CA ASN A 17 3.073 -5.653 0.072 1.00 0.00 C ATOM 235 C ASN A 17 3.677 -5.731 1.475 1.00 0.00 C ATOM 236 O ASN A 17 3.985 -6.818 1.962 1.00 0.00 O ATOM 237 CB ASN A 17 4.176 -5.217 -0.894 1.00 0.00 C ATOM 238 CG ASN A 17 3.675 -5.229 -2.340 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.487 -5.185 -2.613 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.645 -5.290 -3.249 1.00 0.00 N ATOM 0 H ASN A 17 2.149 -3.846 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 17 2.681 -6.621 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.519 -4.216 -0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.033 -5.883 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.413 -5.302 -4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.620 -5.324 -2.953 1.00 0.00 H new ATOM 247 N GLU A 18 3.828 -4.565 2.086 1.00 0.00 N ATOM 248 CA GLU A 18 4.391 -4.489 3.424 1.00 0.00 C ATOM 249 C GLU A 18 3.537 -5.294 4.405 1.00 0.00 C ATOM 250 O GLU A 18 4.064 -6.072 5.199 1.00 0.00 O ATOM 251 CB GLU A 18 4.525 -3.035 3.879 1.00 0.00 C ATOM 252 CG GLU A 18 5.645 -2.322 3.116 1.00 0.00 C ATOM 253 CD GLU A 18 6.886 -2.155 3.994 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.245 -3.146 4.666 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.449 -1.039 3.975 1.00 0.00 O ATOM 0 H GLU A 18 3.570 -3.666 1.680 1.00 0.00 H new ATOM 0 HA GLU A 18 5.391 -4.923 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.582 -2.512 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.731 -3.003 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.901 -2.892 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.297 -1.344 2.782 1.00 0.00 H new ATOM 262 N LYS A 19 2.233 -5.079 4.319 1.00 0.00 N ATOM 263 CA LYS A 19 1.300 -5.775 5.190 1.00 0.00 C ATOM 264 C LYS A 19 1.467 -7.285 5.005 1.00 0.00 C ATOM 265 O LYS A 19 1.659 -8.015 5.976 1.00 0.00 O ATOM 266 CB LYS A 19 -0.128 -5.280 4.951 1.00 0.00 C ATOM 267 CG LYS A 19 -0.270 -3.808 5.344 1.00 0.00 C ATOM 268 CD LYS A 19 -0.297 -3.645 6.864 1.00 0.00 C ATOM 269 CE LYS A 19 -0.148 -2.176 7.262 1.00 0.00 C ATOM 270 NZ LYS A 19 0.198 -2.059 8.697 1.00 0.00 N ATOM 0 H LYS A 19 1.800 -4.433 3.660 1.00 0.00 H new ATOM 0 HA LYS A 19 1.518 -5.555 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.390 -5.407 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.828 -5.884 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.559 -3.236 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.185 -3.400 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.234 -4.039 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.508 -4.229 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.626 -1.706 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.077 -1.643 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.651 -1.139 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.667 -2.133 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.853 -2.823 8.960 1.00 0.00 H new ATOM 284 N TYR A 20 1.387 -7.707 3.751 1.00 0.00 N ATOM 285 CA TYR A 20 1.526 -9.118 3.427 1.00 0.00 C ATOM 286 C TYR A 20 2.744 -9.723 4.127 1.00 0.00 C ATOM 287 O TYR A 20 2.638 -10.761 4.779 1.00 0.00 O ATOM 288 CB TYR A 20 1.738 -9.182 1.913 1.00 0.00 C ATOM 289 CG TYR A 20 1.242 -10.480 1.271 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.036 -10.932 1.528 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.073 -11.196 0.435 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.502 -12.153 0.923 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.607 -12.417 -0.170 1.00 0.00 C ATOM 294 CZ TYR A 20 0.342 -12.836 0.105 1.00 0.00 C ATOM 295 OH TYR A 20 -0.098 -13.989 -0.466 1.00 0.00 O ATOM 0 H TYR A 20 1.228 -7.098 2.948 1.00 0.00 H new ATOM 0 HA TYR A 20 0.647 -9.676 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.226 -8.340 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.801 -9.066 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.686 -10.371 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.073 -10.841 0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.500 -12.518 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.247 -12.987 -0.827 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.019 -14.165 -0.181 1.00 0.00 H new ATOM 305 N GLY A 21 3.874 -9.049 3.970 1.00 0.00 N ATOM 306 CA GLY A 21 5.111 -9.508 4.578 1.00 0.00 C ATOM 307 C GLY A 21 4.931 -9.734 6.080 1.00 0.00 C ATOM 308 O GLY A 21 5.192 -10.826 6.583 1.00 0.00 O ATOM 0 H GLY A 21 3.959 -8.188 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.432 -10.435 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.898 -8.774 4.409 1.00 0.00 H new ATOM 312 N GLU A 22 4.487 -8.684 6.756 1.00 0.00 N ATOM 313 CA GLU A 22 4.270 -8.754 8.190 1.00 0.00 C ATOM 314 C GLU A 22 3.273 -9.867 8.523 1.00 0.00 C ATOM 315 O GLU A 22 3.483 -10.632 9.462 1.00 0.00 O ATOM 316 CB GLU A 22 3.793 -7.408 8.739 1.00 0.00 C ATOM 317 CG GLU A 22 4.721 -6.276 8.297 1.00 0.00 C ATOM 318 CD GLU A 22 4.922 -5.259 9.423 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.841 -5.491 10.239 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.153 -4.274 9.443 1.00 0.00 O ATOM 0 H GLU A 22 4.272 -7.780 6.336 1.00 0.00 H new ATOM 0 HA GLU A 22 5.220 -8.989 8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.779 -7.208 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.755 -7.448 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.685 -6.687 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.302 -5.778 7.423 1.00 0.00 H new ATOM 327 N ALA A 23 2.210 -9.920 7.734 1.00 0.00 N ATOM 328 CA ALA A 23 1.180 -10.926 7.932 1.00 0.00 C ATOM 329 C ALA A 23 1.796 -12.317 7.775 1.00 0.00 C ATOM 330 O ALA A 23 1.443 -13.242 8.505 1.00 0.00 O ATOM 331 CB ALA A 23 0.032 -10.682 6.950 1.00 0.00 C ATOM 0 H ALA A 23 2.040 -9.283 6.956 1.00 0.00 H new ATOM 0 HA ALA A 23 0.767 -10.860 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.740 -11.437 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.390 -9.692 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.408 -10.744 5.929 1.00 0.00 H new ATOM 337 N LEU A 24 2.706 -12.422 6.819 1.00 0.00 N ATOM 338 CA LEU A 24 3.374 -13.685 6.557 1.00 0.00 C ATOM 339 C LEU A 24 4.320 -14.008 7.715 1.00 0.00 C ATOM 340 O LEU A 24 4.879 -15.101 7.780 1.00 0.00 O ATOM 341 CB LEU A 24 4.064 -13.655 5.191 1.00 0.00 C ATOM 342 CG LEU A 24 3.140 -13.699 3.972 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.676 -12.814 2.846 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.912 -15.140 3.509 1.00 0.00 C ATOM 0 H LEU A 24 2.997 -11.653 6.216 1.00 0.00 H new ATOM 0 HA LEU A 24 2.646 -14.495 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.669 -12.750 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.749 -14.501 5.133 1.00 0.00 H new ATOM 0 HG LEU A 24 2.170 -13.297 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.001 -12.863 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.745 -11.784 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.664 -13.163 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.252 -15.143 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.867 -15.591 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.454 -15.713 4.315 1.00 0.00 H new ATOM 356 N GLY A 25 4.469 -13.035 8.604 1.00 0.00 N ATOM 357 CA GLY A 25 5.337 -13.201 9.757 1.00 0.00 C ATOM 358 C GLY A 25 6.800 -12.961 9.381 1.00 0.00 C ATOM 359 O GLY A 25 7.706 -13.330 10.128 1.00 0.00 O ATOM 0 H GLY A 25 4.003 -12.129 8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.041 -12.506 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.222 -14.207 10.161 1.00 0.00 H new ATOM 363 N LEU A 26 6.986 -12.344 8.223 1.00 0.00 N ATOM 364 CA LEU A 26 8.324 -12.050 7.739 1.00 0.00 C ATOM 365 C LEU A 26 8.718 -10.635 8.169 1.00 0.00 C ATOM 366 O LEU A 26 7.942 -9.944 8.827 1.00 0.00 O ATOM 367 CB LEU A 26 8.411 -12.279 6.230 1.00 0.00 C ATOM 368 CG LEU A 26 7.660 -13.501 5.694 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.866 -13.652 4.185 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.058 -14.766 6.456 1.00 0.00 C ATOM 0 H LEU A 26 6.233 -12.040 7.606 1.00 0.00 H new ATOM 0 HA LEU A 26 9.048 -12.733 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.029 -11.392 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.462 -12.374 5.957 1.00 0.00 H new ATOM 0 HG LEU A 26 6.594 -13.347 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.322 -14.527 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.494 -12.763 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.928 -13.774 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.510 -15.619 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.129 -14.937 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.819 -14.645 7.513 1.00 0.00 H new ATOM 382 N ASN A 27 9.924 -10.245 7.780 1.00 0.00 N ATOM 383 CA ASN A 27 10.429 -8.926 8.115 1.00 0.00 C ATOM 384 C ASN A 27 10.709 -8.148 6.829 1.00 0.00 C ATOM 385 O ASN A 27 11.476 -7.186 6.834 1.00 0.00 O ATOM 386 CB ASN A 27 11.737 -9.021 8.904 1.00 0.00 C ATOM 387 CG ASN A 27 12.795 -9.798 8.119 1.00 0.00 C ATOM 388 OD1 ASN A 27 13.192 -9.426 7.026 1.00 0.00 O ATOM 389 ND2 ASN A 27 13.229 -10.894 8.734 1.00 0.00 N ATOM 0 H ASN A 27 10.566 -10.821 7.235 1.00 0.00 H new ATOM 0 HA ASN A 27 9.677 -8.422 8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.106 -8.020 9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.555 -9.512 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.936 -11.481 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.855 -11.148 9.648 1.00 0.00 H new ATOM 396 N ARG A 28 10.072 -8.593 5.755 1.00 0.00 N ATOM 397 CA ARG A 28 10.244 -7.951 4.464 1.00 0.00 C ATOM 398 C ARG A 28 8.906 -7.882 3.724 1.00 0.00 C ATOM 399 O ARG A 28 8.036 -8.726 3.927 1.00 0.00 O ATOM 400 CB ARG A 28 11.256 -8.709 3.601 1.00 0.00 C ATOM 401 CG ARG A 28 11.020 -10.219 3.678 1.00 0.00 C ATOM 402 CD ARG A 28 11.083 -10.855 2.288 1.00 0.00 C ATOM 403 NE ARG A 28 12.073 -11.955 2.280 1.00 0.00 N ATOM 404 CZ ARG A 28 13.384 -11.787 2.500 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.872 -10.563 2.745 1.00 0.00 N ATOM 406 NH2 ARG A 28 14.209 -12.844 2.472 1.00 0.00 N ATOM 0 H ARG A 28 9.436 -9.391 5.753 1.00 0.00 H new ATOM 0 HA ARG A 28 10.619 -6.943 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.177 -8.377 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.268 -8.478 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.769 -10.675 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.047 -10.416 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.101 -11.236 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.356 -10.104 1.547 1.00 0.00 H new ATOM 0 HE ARG A 28 11.736 -12.900 2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.245 -9.759 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.870 -10.436 2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.838 -13.775 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.207 -12.717 2.639 1.00 0.00 H new ATOM 420 N PRO A 29 8.781 -6.839 2.859 1.00 0.00 N ATOM 421 CA PRO A 29 7.564 -6.648 2.089 1.00 0.00 C ATOM 422 C PRO A 29 7.478 -7.655 0.941 1.00 0.00 C ATOM 423 O PRO A 29 8.453 -7.868 0.222 1.00 0.00 O ATOM 424 CB PRO A 29 7.624 -5.207 1.610 1.00 0.00 C ATOM 425 CG PRO A 29 9.079 -4.785 1.735 1.00 0.00 C ATOM 426 CD PRO A 29 9.791 -5.819 2.593 1.00 0.00 C ATOM 0 HA PRO A 29 6.663 -6.822 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.281 -5.124 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.979 -4.568 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.544 -4.720 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.152 -3.796 2.188 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.652 -6.240 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.162 -5.378 3.518 1.00 0.00 H new ATOM 434 N VAL A 30 6.301 -8.250 0.804 1.00 0.00 N ATOM 435 CA VAL A 30 6.076 -9.230 -0.245 1.00 0.00 C ATOM 436 C VAL A 30 4.813 -8.856 -1.024 1.00 0.00 C ATOM 437 O VAL A 30 3.823 -8.419 -0.437 1.00 0.00 O ATOM 438 CB VAL A 30 6.011 -10.635 0.358 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.590 -11.663 -0.694 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.347 -11.020 0.997 1.00 0.00 C ATOM 0 H VAL A 30 5.494 -8.072 1.402 1.00 0.00 H new ATOM 0 HA VAL A 30 6.906 -9.231 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 30 5.254 -10.629 1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.551 -12.653 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.605 -11.403 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.313 -11.666 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.273 -12.023 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.131 -11.001 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.589 -10.311 1.789 1.00 0.00 H new ATOM 450 N LEU A 31 4.888 -9.038 -2.334 1.00 0.00 N ATOM 451 CA LEU A 31 3.764 -8.724 -3.199 1.00 0.00 C ATOM 452 C LEU A 31 2.527 -9.484 -2.716 1.00 0.00 C ATOM 453 O LEU A 31 2.642 -10.450 -1.964 1.00 0.00 O ATOM 454 CB LEU A 31 4.121 -8.998 -4.661 1.00 0.00 C ATOM 455 CG LEU A 31 4.833 -7.864 -5.402 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.707 -8.411 -6.532 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.831 -6.823 -5.904 1.00 0.00 C ATOM 0 H LEU A 31 5.710 -9.399 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 31 3.527 -7.661 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.754 -9.884 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.204 -9.238 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 31 5.496 -7.359 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.201 -7.584 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.458 -9.083 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.085 -8.956 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.363 -6.028 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.125 -7.297 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.290 -6.401 -5.057 1.00 0.00 H new ATOM 469 N VAL A 32 1.372 -9.018 -3.167 1.00 0.00 N ATOM 470 CA VAL A 32 0.115 -9.640 -2.791 1.00 0.00 C ATOM 471 C VAL A 32 -0.481 -10.354 -4.007 1.00 0.00 C ATOM 472 O VAL A 32 -0.752 -9.726 -5.028 1.00 0.00 O ATOM 473 CB VAL A 32 -0.828 -8.595 -2.190 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.236 -9.167 -2.009 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.279 -8.059 -0.867 1.00 0.00 C ATOM 0 H VAL A 32 1.281 -8.216 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 32 0.278 -10.393 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.893 -7.760 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.886 -8.404 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.630 -9.478 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.196 -10.027 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.968 -7.318 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.170 -8.880 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.693 -7.596 -1.037 1.00 0.00 H new ATOM 485 N PRO A 33 -0.670 -11.692 -3.852 1.00 0.00 N ATOM 486 CA PRO A 33 -1.228 -12.498 -4.924 1.00 0.00 C ATOM 487 C PRO A 33 -2.734 -12.264 -5.059 1.00 0.00 C ATOM 488 O PRO A 33 -3.528 -13.188 -4.884 1.00 0.00 O ATOM 489 CB PRO A 33 -0.880 -13.931 -4.562 1.00 0.00 C ATOM 490 CG PRO A 33 -0.550 -13.918 -3.078 1.00 0.00 C ATOM 491 CD PRO A 33 -0.360 -12.470 -2.656 1.00 0.00 C ATOM 0 HA PRO A 33 -0.820 -12.238 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.715 -14.600 -4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.032 -14.287 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.353 -14.381 -2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.354 -14.494 -2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.022 -12.208 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.660 -12.287 -2.318 1.00 0.00 H new ATOM 499 N TYR A 34 -3.084 -11.024 -5.368 1.00 0.00 N ATOM 500 CA TYR A 34 -4.481 -10.657 -5.527 1.00 0.00 C ATOM 501 C TYR A 34 -5.226 -11.694 -6.370 1.00 0.00 C ATOM 502 O TYR A 34 -6.305 -12.149 -5.991 1.00 0.00 O ATOM 503 CB TYR A 34 -4.484 -9.319 -6.267 1.00 0.00 C ATOM 504 CG TYR A 34 -3.638 -8.234 -5.595 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.098 -7.611 -4.452 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.418 -7.880 -6.132 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.303 -6.591 -3.821 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.622 -6.860 -5.499 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.104 -6.266 -4.375 1.00 0.00 C ATOM 510 OH TYR A 34 -1.352 -5.302 -3.777 1.00 0.00 O ATOM 0 H TYR A 34 -2.424 -10.260 -5.513 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.976 -10.599 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.117 -9.476 -7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.511 -8.964 -6.351 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.053 -7.889 -4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.060 -8.367 -7.027 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.651 -6.094 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.664 -6.574 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.521 -5.175 -4.281 1.00 0.00 H new ATOM 520 N LYS A 35 -4.623 -12.036 -7.499 1.00 0.00 N ATOM 521 CA LYS A 35 -5.216 -13.011 -8.399 1.00 0.00 C ATOM 522 C LYS A 35 -5.725 -14.204 -7.588 1.00 0.00 C ATOM 523 O LYS A 35 -6.859 -14.644 -7.768 1.00 0.00 O ATOM 524 CB LYS A 35 -4.228 -13.393 -9.503 1.00 0.00 C ATOM 525 CG LYS A 35 -4.917 -14.213 -10.595 1.00 0.00 C ATOM 526 CD LYS A 35 -5.473 -13.304 -11.694 1.00 0.00 C ATOM 527 CE LYS A 35 -6.316 -14.103 -12.691 1.00 0.00 C ATOM 528 NZ LYS A 35 -5.805 -13.918 -14.067 1.00 0.00 N ATOM 0 H LYS A 35 -3.730 -11.655 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.078 -12.582 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.797 -12.491 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.405 -13.967 -9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.208 -14.920 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.726 -14.799 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.080 -12.517 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.651 -12.815 -12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.295 -15.161 -12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.356 -13.781 -12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.388 -14.467 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.847 -12.910 -14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.820 -14.247 -14.119 1.00 0.00 H new ATOM 542 N LEU A 36 -4.860 -14.696 -6.713 1.00 0.00 N ATOM 543 CA LEU A 36 -5.206 -15.830 -5.874 1.00 0.00 C ATOM 544 C LEU A 36 -6.283 -15.408 -4.871 1.00 0.00 C ATOM 545 O LEU A 36 -7.398 -15.926 -4.898 1.00 0.00 O ATOM 546 CB LEU A 36 -3.954 -16.416 -5.220 1.00 0.00 C ATOM 547 CG LEU A 36 -2.963 -17.102 -6.163 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.657 -17.435 -5.438 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.590 -18.338 -6.811 1.00 0.00 C ATOM 0 H LEU A 36 -3.919 -14.329 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.628 -16.634 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.432 -15.614 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.266 -17.138 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.717 -16.407 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.970 -17.922 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.204 -16.517 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.865 -18.104 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.865 -18.807 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.883 -19.046 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.469 -18.042 -7.383 1.00 0.00 H new ATOM 561 N ILE A 37 -5.911 -14.470 -4.012 1.00 0.00 N ATOM 562 CA ILE A 37 -6.831 -13.972 -3.004 1.00 0.00 C ATOM 563 C ILE A 37 -8.201 -13.733 -3.643 1.00 0.00 C ATOM 564 O ILE A 37 -9.227 -13.825 -2.971 1.00 0.00 O ATOM 565 CB ILE A 37 -6.250 -12.738 -2.313 1.00 0.00 C ATOM 566 CG1 ILE A 37 -4.959 -13.082 -1.568 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.286 -12.086 -1.393 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.915 -11.977 -1.739 1.00 0.00 C ATOM 0 H ILE A 37 -4.985 -14.042 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.972 -14.713 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.994 -12.007 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.173 -13.224 -0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.560 -14.025 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.847 -11.211 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.153 -11.782 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.596 -12.800 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.007 -12.247 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.685 -11.854 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.308 -11.041 -1.342 1.00 0.00 H new ATOM 580 N ARG A 38 -8.172 -13.430 -4.933 1.00 0.00 N ATOM 581 CA ARG A 38 -9.398 -13.176 -5.669 1.00 0.00 C ATOM 582 C ARG A 38 -10.226 -14.458 -5.778 1.00 0.00 C ATOM 583 O ARG A 38 -11.311 -14.551 -5.205 1.00 0.00 O ATOM 584 CB ARG A 38 -9.097 -12.650 -7.074 1.00 0.00 C ATOM 585 CG ARG A 38 -10.330 -11.979 -7.684 1.00 0.00 C ATOM 586 CD ARG A 38 -10.372 -10.489 -7.336 1.00 0.00 C ATOM 587 NE ARG A 38 -11.190 -10.274 -6.122 1.00 0.00 N ATOM 588 CZ ARG A 38 -11.060 -9.222 -5.305 1.00 0.00 C ATOM 589 NH1 ARG A 38 -10.143 -8.280 -5.565 1.00 0.00 N ATOM 590 NH2 ARG A 38 -11.847 -9.110 -4.225 1.00 0.00 N ATOM 0 H ARG A 38 -7.319 -13.355 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.963 -12.420 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.274 -11.936 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.773 -13.472 -7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.318 -12.103 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.233 -12.467 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.361 -10.117 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.789 -9.924 -8.170 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.898 -10.972 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.544 -8.365 -6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.044 -7.478 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.545 -9.827 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.748 -8.308 -3.603 1.00 0.00 H new ATOM 604 N ASP A 39 -9.684 -15.413 -6.519 1.00 0.00 N ATOM 605 CA ASP A 39 -10.359 -16.685 -6.710 1.00 0.00 C ATOM 606 C ASP A 39 -10.491 -17.396 -5.361 1.00 0.00 C ATOM 607 O ASP A 39 -11.353 -18.257 -5.192 1.00 0.00 O ATOM 608 CB ASP A 39 -9.564 -17.595 -7.649 1.00 0.00 C ATOM 609 CG ASP A 39 -10.411 -18.429 -8.612 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.146 -19.306 -8.110 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.304 -18.169 -9.831 1.00 0.00 O ATOM 0 H ASP A 39 -8.785 -15.331 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.338 -16.485 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.878 -16.980 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.955 -18.270 -7.047 1.00 0.00 H new ATOM 616 N SER A 40 -9.624 -17.010 -4.438 1.00 0.00 N ATOM 617 CA SER A 40 -9.633 -17.600 -3.110 1.00 0.00 C ATOM 618 C SER A 40 -9.835 -16.510 -2.055 1.00 0.00 C ATOM 619 O SER A 40 -8.874 -15.878 -1.617 1.00 0.00 O ATOM 620 CB SER A 40 -8.337 -18.366 -2.840 1.00 0.00 C ATOM 621 OG SER A 40 -8.291 -18.887 -1.513 1.00 0.00 O ATOM 0 H SER A 40 -8.910 -16.296 -4.583 1.00 0.00 H new ATOM 0 HA SER A 40 -10.460 -18.308 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.244 -19.184 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.485 -17.705 -3.000 1.00 0.00 H new ATOM 0 HG SER A 40 -7.531 -19.500 -1.428 1.00 0.00 H new ATOM 627 N PRO A 41 -11.124 -16.318 -1.667 1.00 0.00 N ATOM 628 CA PRO A 41 -11.465 -15.315 -0.671 1.00 0.00 C ATOM 629 C PRO A 41 -11.075 -15.783 0.732 1.00 0.00 C ATOM 630 O PRO A 41 -11.020 -14.982 1.664 1.00 0.00 O ATOM 631 CB PRO A 41 -12.960 -15.096 -0.830 1.00 0.00 C ATOM 632 CG PRO A 41 -13.483 -16.309 -1.582 1.00 0.00 C ATOM 633 CD PRO A 41 -12.287 -17.048 -2.163 1.00 0.00 C ATOM 0 HA PRO A 41 -10.922 -14.380 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.446 -15.000 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.164 -14.178 -1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.046 -16.960 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.164 -16.002 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.269 -18.089 -1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.316 -17.054 -3.253 1.00 0.00 H new ATOM 641 N ASP A 42 -10.814 -17.077 0.840 1.00 0.00 N ATOM 642 CA ASP A 42 -10.430 -17.661 2.114 1.00 0.00 C ATOM 643 C ASP A 42 -8.939 -18.001 2.087 1.00 0.00 C ATOM 644 O ASP A 42 -8.552 -19.135 2.360 1.00 0.00 O ATOM 645 CB ASP A 42 -11.205 -18.952 2.384 1.00 0.00 C ATOM 646 CG ASP A 42 -12.681 -18.760 2.734 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.958 -17.859 3.556 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.501 -19.518 2.172 1.00 0.00 O ATOM 0 H ASP A 42 -10.861 -17.739 0.065 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.652 -16.936 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.136 -19.590 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.720 -19.485 3.202 1.00 0.00 H new ATOM 653 N ALA A 43 -8.142 -16.996 1.754 1.00 0.00 N ATOM 654 CA ALA A 43 -6.701 -17.174 1.688 1.00 0.00 C ATOM 655 C ALA A 43 -6.024 -16.167 2.619 1.00 0.00 C ATOM 656 O ALA A 43 -5.215 -16.543 3.465 1.00 0.00 O ATOM 657 CB ALA A 43 -6.236 -17.033 0.237 1.00 0.00 C ATOM 0 H ALA A 43 -8.467 -16.056 1.527 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.421 -18.172 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.155 -17.166 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.724 -17.790 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.497 -16.042 -0.134 1.00 0.00 H new ATOM 663 N VAL A 44 -6.379 -14.904 2.431 1.00 0.00 N ATOM 664 CA VAL A 44 -5.815 -13.840 3.243 1.00 0.00 C ATOM 665 C VAL A 44 -6.914 -12.834 3.593 1.00 0.00 C ATOM 666 O VAL A 44 -7.758 -12.515 2.756 1.00 0.00 O ATOM 667 CB VAL A 44 -4.629 -13.201 2.518 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.239 -11.871 3.169 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.436 -14.158 2.470 1.00 0.00 C ATOM 0 H VAL A 44 -7.050 -14.594 1.728 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.429 -14.239 4.181 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.935 -12.995 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.394 -11.438 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.084 -11.184 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.961 -12.043 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.606 -13.680 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.130 -14.410 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.720 -15.068 1.941 1.00 0.00 H new ATOM 679 N GLU A 45 -6.868 -12.361 4.829 1.00 0.00 N ATOM 680 CA GLU A 45 -7.849 -11.397 5.299 1.00 0.00 C ATOM 681 C GLU A 45 -7.265 -9.983 5.261 1.00 0.00 C ATOM 682 O GLU A 45 -6.141 -9.759 5.707 1.00 0.00 O ATOM 683 CB GLU A 45 -8.336 -11.752 6.706 1.00 0.00 C ATOM 684 CG GLU A 45 -9.036 -10.559 7.360 1.00 0.00 C ATOM 685 CD GLU A 45 -8.246 -10.056 8.570 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.384 -10.686 9.641 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.522 -9.053 8.396 1.00 0.00 O ATOM 0 H GLU A 45 -6.167 -12.627 5.520 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.711 -11.431 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.022 -12.598 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.491 -12.064 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.146 -9.754 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.040 -10.848 7.671 1.00 0.00 H new ATOM 694 N VAL A 46 -8.056 -9.065 4.723 1.00 0.00 N ATOM 695 CA VAL A 46 -7.631 -7.679 4.621 1.00 0.00 C ATOM 696 C VAL A 46 -8.597 -6.795 5.413 1.00 0.00 C ATOM 697 O VAL A 46 -9.809 -6.861 5.215 1.00 0.00 O ATOM 698 CB VAL A 46 -7.519 -7.273 3.150 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.284 -5.768 3.013 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.417 -8.067 2.445 1.00 0.00 C ATOM 0 H VAL A 46 -8.988 -9.254 4.354 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.640 -7.550 5.056 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.466 -7.509 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.208 -5.506 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.117 -5.227 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.359 -5.496 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.358 -7.759 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.462 -7.876 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.645 -9.132 2.497 1.00 0.00 H new ATOM 710 N THR A 47 -8.022 -5.989 6.294 1.00 0.00 N ATOM 711 CA THR A 47 -8.817 -5.092 7.116 1.00 0.00 C ATOM 712 C THR A 47 -8.060 -3.788 7.369 1.00 0.00 C ATOM 713 O THR A 47 -6.876 -3.682 7.050 1.00 0.00 O ATOM 714 CB THR A 47 -9.191 -5.836 8.400 1.00 0.00 C ATOM 715 OG1 THR A 47 -8.022 -6.585 8.720 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.265 -6.902 8.169 1.00 0.00 C ATOM 0 H THR A 47 -7.016 -5.938 6.456 1.00 0.00 H new ATOM 0 HA THR A 47 -9.738 -4.803 6.609 1.00 0.00 H new ATOM 0 HB THR A 47 -9.544 -5.121 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.198 -7.540 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.493 -7.399 9.112 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.168 -6.431 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.900 -7.636 7.451 1.00 0.00 H new ATOM 724 N GLY A 48 -8.771 -2.828 7.941 1.00 0.00 N ATOM 725 CA GLY A 48 -8.181 -1.535 8.239 1.00 0.00 C ATOM 726 C GLY A 48 -8.381 -0.559 7.079 1.00 0.00 C ATOM 727 O GLY A 48 -8.337 0.655 7.268 1.00 0.00 O ATOM 0 H GLY A 48 -9.752 -2.920 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.631 -1.126 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.116 -1.655 8.438 1.00 0.00 H new ATOM 731 N LEU A 49 -8.598 -1.126 5.901 1.00 0.00 N ATOM 732 CA LEU A 49 -8.805 -0.322 4.710 1.00 0.00 C ATOM 733 C LEU A 49 -9.753 0.833 5.037 1.00 0.00 C ATOM 734 O LEU A 49 -10.421 0.819 6.070 1.00 0.00 O ATOM 735 CB LEU A 49 -9.282 -1.196 3.548 1.00 0.00 C ATOM 736 CG LEU A 49 -8.186 -1.787 2.659 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.766 -2.810 1.681 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.409 -0.682 1.940 1.00 0.00 C ATOM 0 H LEU A 49 -8.635 -2.134 5.747 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.864 0.119 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.873 -2.016 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.949 -0.602 2.923 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.477 -2.317 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.966 -3.215 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.238 -3.619 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.508 -2.326 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.636 -1.129 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.091 -0.104 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.946 -0.025 2.676 1.00 0.00 H new ATOM 750 N PRO A 50 -9.782 1.833 4.116 1.00 0.00 N ATOM 751 CA PRO A 50 -10.637 2.994 4.297 1.00 0.00 C ATOM 752 C PRO A 50 -12.100 2.647 4.018 1.00 0.00 C ATOM 753 O PRO A 50 -12.393 1.833 3.143 1.00 0.00 O ATOM 754 CB PRO A 50 -10.083 4.043 3.347 1.00 0.00 C ATOM 755 CG PRO A 50 -9.236 3.285 2.337 1.00 0.00 C ATOM 756 CD PRO A 50 -9.005 1.885 2.881 1.00 0.00 C ATOM 0 HA PRO A 50 -10.633 3.363 5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.888 4.586 2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.485 4.779 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.741 3.241 1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.286 3.794 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.336 1.126 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.947 1.704 3.071 1.00 0.00 H new ATOM 764 N ASP A 51 -12.982 3.281 4.778 1.00 0.00 N ATOM 765 CA ASP A 51 -14.408 3.049 4.622 1.00 0.00 C ATOM 766 C ASP A 51 -14.833 3.442 3.206 1.00 0.00 C ATOM 767 O ASP A 51 -14.347 4.432 2.660 1.00 0.00 O ATOM 768 CB ASP A 51 -15.214 3.895 5.609 1.00 0.00 C ATOM 769 CG ASP A 51 -14.554 4.100 6.975 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.755 3.219 7.839 1.00 0.00 O ATOM 771 OD2 ASP A 51 -13.866 5.132 7.124 1.00 0.00 O ATOM 0 H ASP A 51 -12.736 3.955 5.503 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.600 1.993 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.398 4.872 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.186 3.424 5.759 1.00 0.00 H new ATOM 776 N ASP A 52 -15.734 2.645 2.650 1.00 0.00 N ATOM 777 CA ASP A 52 -16.229 2.898 1.308 1.00 0.00 C ATOM 778 C ASP A 52 -15.119 2.607 0.297 1.00 0.00 C ATOM 779 O ASP A 52 -15.025 3.270 -0.735 1.00 0.00 O ATOM 780 CB ASP A 52 -16.651 4.359 1.142 1.00 0.00 C ATOM 781 CG ASP A 52 -17.962 4.571 0.382 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.689 3.569 0.213 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.207 5.732 -0.013 1.00 0.00 O ATOM 0 H ASP A 52 -16.134 1.824 3.105 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.092 2.254 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.745 4.809 2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.856 4.894 0.622 1.00 0.00 H new ATOM 788 N ILE A 53 -14.304 1.617 0.627 1.00 0.00 N ATOM 789 CA ILE A 53 -13.204 1.231 -0.239 1.00 0.00 C ATOM 790 C ILE A 53 -12.911 -0.259 -0.052 1.00 0.00 C ATOM 791 O ILE A 53 -12.553 -0.692 1.042 1.00 0.00 O ATOM 792 CB ILE A 53 -11.991 2.131 0.002 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.302 3.582 -0.372 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.759 1.601 -0.734 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.056 4.460 -0.244 1.00 0.00 C ATOM 0 H ILE A 53 -14.384 1.070 1.484 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.475 1.374 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.761 2.115 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.678 3.625 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.091 3.967 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.911 2.260 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.526 0.598 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.961 1.567 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.304 5.486 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.697 4.434 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.278 4.087 -0.910 1.00 0.00 H new ATOM 807 N PRO A 54 -13.078 -1.022 -1.165 1.00 0.00 N ATOM 808 CA PRO A 54 -12.835 -2.455 -1.134 1.00 0.00 C ATOM 809 C PRO A 54 -11.335 -2.756 -1.111 1.00 0.00 C ATOM 810 O PRO A 54 -10.525 -1.869 -0.848 1.00 0.00 O ATOM 811 CB PRO A 54 -13.531 -2.999 -2.370 1.00 0.00 C ATOM 812 CG PRO A 54 -13.740 -1.807 -3.290 1.00 0.00 C ATOM 813 CD PRO A 54 -13.502 -0.545 -2.478 1.00 0.00 C ATOM 0 HA PRO A 54 -13.225 -2.929 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.925 -3.764 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.482 -3.463 -2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.053 -1.852 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.750 -1.813 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.738 0.083 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.408 0.057 -2.407 1.00 0.00 H new ATOM 821 N PHE A 55 -11.012 -4.011 -1.389 1.00 0.00 N ATOM 822 CA PHE A 55 -9.624 -4.440 -1.404 1.00 0.00 C ATOM 823 C PHE A 55 -9.267 -5.095 -2.740 1.00 0.00 C ATOM 824 O PHE A 55 -9.535 -6.277 -2.946 1.00 0.00 O ATOM 825 CB PHE A 55 -9.463 -5.471 -0.284 1.00 0.00 C ATOM 826 CG PHE A 55 -8.219 -6.351 -0.423 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.981 -5.801 -0.304 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.352 -7.682 -0.665 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.826 -6.618 -0.432 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.198 -8.498 -0.794 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.959 -7.950 -0.675 1.00 0.00 C ATOM 0 H PHE A 55 -11.688 -4.744 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.967 -3.581 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.422 -4.950 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.346 -6.109 -0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.876 -4.743 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.335 -8.118 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.843 -6.182 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.304 -9.555 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.081 -8.572 -0.773 1.00 0.00 H new ATOM 841 N ARG A 56 -8.667 -4.298 -3.611 1.00 0.00 N ATOM 842 CA ARG A 56 -8.269 -4.785 -4.921 1.00 0.00 C ATOM 843 C ARG A 56 -6.920 -4.187 -5.324 1.00 0.00 C ATOM 844 O ARG A 56 -6.403 -3.300 -4.646 1.00 0.00 O ATOM 845 CB ARG A 56 -9.314 -4.431 -5.980 1.00 0.00 C ATOM 846 CG ARG A 56 -10.715 -4.852 -5.532 1.00 0.00 C ATOM 847 CD ARG A 56 -11.473 -5.536 -6.672 1.00 0.00 C ATOM 848 NE ARG A 56 -12.921 -5.255 -6.557 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.795 -5.395 -7.563 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.374 -5.813 -8.764 1.00 0.00 N ATOM 851 NH2 ARG A 56 -15.092 -5.116 -7.368 1.00 0.00 N ATOM 0 H ARG A 56 -8.447 -3.318 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.184 -5.870 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.296 -3.358 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.066 -4.924 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.640 -5.530 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.271 -3.977 -5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.100 -5.180 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.299 -6.612 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.276 -4.935 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.387 -6.025 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.040 -5.919 -9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.413 -4.797 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.757 -5.223 -8.134 1.00 0.00 H new ATOM 865 N ASN A 57 -6.388 -4.696 -6.426 1.00 0.00 N ATOM 866 CA ASN A 57 -5.110 -4.221 -6.927 1.00 0.00 C ATOM 867 C ASN A 57 -5.025 -2.705 -6.744 1.00 0.00 C ATOM 868 O ASN A 57 -6.003 -1.994 -6.966 1.00 0.00 O ATOM 869 CB ASN A 57 -4.955 -4.527 -8.418 1.00 0.00 C ATOM 870 CG ASN A 57 -3.534 -4.998 -8.737 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.948 -5.804 -8.034 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.017 -4.451 -9.833 1.00 0.00 N ATOM 0 H ASN A 57 -6.819 -5.432 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.321 -4.727 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.671 -5.295 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.186 -3.636 -9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.074 -4.700 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.563 -3.782 -10.376 1.00 0.00 H new ATOM 879 N PRO A 58 -3.814 -2.242 -6.329 1.00 0.00 N ATOM 880 CA PRO A 58 -3.589 -0.824 -6.114 1.00 0.00 C ATOM 881 C PRO A 58 -3.457 -0.081 -7.445 1.00 0.00 C ATOM 882 O PRO A 58 -3.475 1.149 -7.479 1.00 0.00 O ATOM 883 CB PRO A 58 -2.331 -0.750 -5.264 1.00 0.00 C ATOM 884 CG PRO A 58 -1.640 -2.093 -5.425 1.00 0.00 C ATOM 885 CD PRO A 58 -2.633 -3.055 -6.057 1.00 0.00 C ATOM 0 HA PRO A 58 -4.424 -0.337 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.685 0.064 -5.593 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.576 -0.560 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.753 -1.994 -6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.307 -2.469 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.234 -3.492 -6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.867 -3.881 -5.385 1.00 0.00 H new ATOM 893 N ASN A 59 -3.326 -0.859 -8.510 1.00 0.00 N ATOM 894 CA ASN A 59 -3.190 -0.290 -9.840 1.00 0.00 C ATOM 895 C ASN A 59 -4.575 -0.157 -10.477 1.00 0.00 C ATOM 896 O ASN A 59 -4.910 -0.895 -11.402 1.00 0.00 O ATOM 897 CB ASN A 59 -2.341 -1.191 -10.740 1.00 0.00 C ATOM 898 CG ASN A 59 -1.600 -0.369 -11.796 1.00 0.00 C ATOM 899 OD1 ASN A 59 -1.573 0.851 -11.765 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.999 -1.101 -12.729 1.00 0.00 N ATOM 0 H ASN A 59 -3.311 -1.878 -8.479 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.707 0.682 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.623 -1.743 -10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.979 -1.927 -11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.476 -0.645 -13.477 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.061 -2.119 -12.697 1.00 0.00 H new ATOM 907 N THR A 60 -5.343 0.789 -9.956 1.00 0.00 N ATOM 908 CA THR A 60 -6.683 1.029 -10.462 1.00 0.00 C ATOM 909 C THR A 60 -7.375 2.119 -9.642 1.00 0.00 C ATOM 910 O THR A 60 -8.149 2.908 -10.181 1.00 0.00 O ATOM 911 CB THR A 60 -7.434 -0.305 -10.459 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.808 0.072 -10.401 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.211 -1.100 -9.171 1.00 0.00 C ATOM 0 H THR A 60 -5.062 1.399 -9.188 1.00 0.00 H new ATOM 0 HA THR A 60 -6.660 1.403 -11.486 1.00 0.00 H new ATOM 0 HB THR A 60 -7.117 -0.903 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.368 -0.732 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.766 -2.037 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.148 -1.313 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.560 -0.517 -8.319 1.00 0.00 H new ATOM 921 N TYR A 61 -7.073 2.126 -8.352 1.00 0.00 N ATOM 922 CA TYR A 61 -7.656 3.107 -7.452 1.00 0.00 C ATOM 923 C TYR A 61 -7.473 4.526 -7.994 1.00 0.00 C ATOM 924 O TYR A 61 -6.987 4.711 -9.108 1.00 0.00 O ATOM 925 CB TYR A 61 -6.893 2.975 -6.133 1.00 0.00 C ATOM 926 CG TYR A 61 -7.169 1.671 -5.381 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.468 1.244 -5.194 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.119 0.921 -4.892 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.728 0.017 -4.487 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.378 -0.306 -4.185 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.670 -0.698 -4.018 1.00 0.00 C ATOM 932 OH TYR A 61 -7.915 -1.857 -3.351 1.00 0.00 O ATOM 0 H TYR A 61 -6.432 1.468 -7.908 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.726 2.933 -7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.824 3.047 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.153 3.815 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.290 1.830 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.103 1.255 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.740 -0.328 -4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.565 -0.902 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.127 -2.437 -3.402 1.00 0.00 H new ATOM 942 N ASP A 62 -7.873 5.492 -7.180 1.00 0.00 N ATOM 943 CA ASP A 62 -7.760 6.889 -7.564 1.00 0.00 C ATOM 944 C ASP A 62 -7.072 7.667 -6.441 1.00 0.00 C ATOM 945 O ASP A 62 -6.838 7.129 -5.360 1.00 0.00 O ATOM 946 CB ASP A 62 -9.138 7.511 -7.794 1.00 0.00 C ATOM 947 CG ASP A 62 -9.914 6.941 -8.982 1.00 0.00 C ATOM 948 OD1 ASP A 62 -9.386 7.047 -10.110 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.019 6.411 -8.737 1.00 0.00 O ATOM 0 H ASP A 62 -8.276 5.335 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.184 6.939 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.735 7.378 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.016 8.584 -7.940 1.00 0.00 H new ATOM 954 N ILE A 63 -6.766 8.923 -6.736 1.00 0.00 N ATOM 955 CA ILE A 63 -6.109 9.781 -5.764 1.00 0.00 C ATOM 956 C ILE A 63 -6.709 9.528 -4.380 1.00 0.00 C ATOM 957 O ILE A 63 -6.043 8.982 -3.501 1.00 0.00 O ATOM 958 CB ILE A 63 -6.179 11.244 -6.207 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.891 11.663 -6.918 1.00 0.00 C ATOM 960 CG2 ILE A 63 -6.507 12.159 -5.025 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.938 11.294 -8.402 1.00 0.00 C ATOM 0 H ILE A 63 -6.961 9.366 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.047 9.542 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.991 11.346 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.746 12.738 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.037 11.178 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.551 13.193 -5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.471 11.875 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.733 12.061 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.010 11.603 -8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.059 10.216 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.779 11.800 -8.876 1.00 0.00 H new ATOM 973 N HIS A 64 -7.960 9.938 -4.227 1.00 0.00 N ATOM 974 CA HIS A 64 -8.656 9.764 -2.964 1.00 0.00 C ATOM 975 C HIS A 64 -8.268 8.418 -2.346 1.00 0.00 C ATOM 976 O HIS A 64 -7.518 8.372 -1.372 1.00 0.00 O ATOM 977 CB HIS A 64 -10.167 9.916 -3.152 1.00 0.00 C ATOM 978 CG HIS A 64 -10.680 11.312 -2.891 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.383 11.651 -1.748 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.583 12.450 -3.636 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.692 12.938 -1.814 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.196 13.431 -2.984 1.00 0.00 N ATOM 0 H HIS A 64 -8.509 10.390 -4.958 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.354 10.546 -2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.427 9.629 -4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.678 9.221 -2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.091 12.538 -4.593 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.241 13.498 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.282 14.395 -3.306 1.00 0.00 H new ATOM 990 N ARG A 65 -8.797 7.357 -2.937 1.00 0.00 N ATOM 991 CA ARG A 65 -8.516 6.015 -2.458 1.00 0.00 C ATOM 992 C ARG A 65 -7.036 5.883 -2.087 1.00 0.00 C ATOM 993 O ARG A 65 -6.704 5.581 -0.942 1.00 0.00 O ATOM 994 CB ARG A 65 -8.865 4.967 -3.516 1.00 0.00 C ATOM 995 CG ARG A 65 -10.318 5.111 -3.970 1.00 0.00 C ATOM 996 CD ARG A 65 -11.142 3.884 -3.572 1.00 0.00 C ATOM 997 NE ARG A 65 -12.565 4.094 -3.920 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.038 4.104 -5.173 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.205 3.915 -6.205 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.345 4.302 -5.394 1.00 0.00 N ATOM 0 H ARG A 65 -9.419 7.400 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.133 5.842 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.200 5.074 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.704 3.968 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.754 6.006 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.353 5.242 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.761 2.999 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.044 3.702 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.227 4.240 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.210 3.763 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.565 3.923 -7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.979 4.445 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.705 4.310 -6.348 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.188 6.116 -3.079 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.753 6.026 -2.872 1.00 0.00 C ATOM 1016 C LEU A 66 -4.375 6.798 -1.606 1.00 0.00 C ATOM 1017 O LEU A 66 -3.500 6.374 -0.853 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.002 6.490 -4.122 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.018 5.525 -5.309 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.252 6.108 -6.499 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.487 4.148 -4.906 1.00 0.00 C ATOM 0 H LEU A 66 -6.468 6.367 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.455 4.989 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.427 7.440 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.964 6.682 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.053 5.390 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.278 5.403 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.715 7.046 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.217 6.291 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.510 3.482 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.462 4.244 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.111 3.735 -4.113 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.054 7.919 -1.410 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.801 8.754 -0.249 1.00 0.00 C ATOM 1035 C GLU A 67 -5.422 8.128 1.001 1.00 0.00 C ATOM 1036 O GLU A 67 -4.760 7.999 2.030 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.327 10.174 -0.469 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.331 11.009 -1.276 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.713 12.112 -0.413 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.441 13.092 -0.138 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.529 11.950 -0.047 1.00 0.00 O ATOM 0 H GLU A 67 -5.779 8.268 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.723 8.820 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.282 10.135 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.511 10.651 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.544 10.365 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.835 11.453 -2.134 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.686 7.753 0.871 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.403 7.142 1.978 1.00 0.00 C ATOM 1050 C LYS A 68 -6.627 5.920 2.470 1.00 0.00 C ATOM 1051 O LYS A 68 -6.261 5.843 3.642 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.846 6.834 1.575 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.515 8.058 0.947 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.779 8.447 1.717 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.370 9.751 1.176 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.118 10.460 2.237 1.00 0.00 N ATOM 0 H LYS A 68 -7.232 7.860 0.016 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.471 7.834 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.860 6.005 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.412 6.516 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.817 8.895 0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.768 7.846 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.517 7.649 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.544 8.561 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.572 10.389 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.032 9.537 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.512 11.342 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.892 9.855 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.477 10.681 3.025 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.397 4.994 1.551 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.671 3.779 1.877 1.00 0.00 C ATOM 1072 C ILE A 69 -4.353 4.146 2.562 1.00 0.00 C ATOM 1073 O ILE A 69 -3.984 3.542 3.568 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.494 2.909 0.631 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.841 2.369 0.143 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.484 1.787 0.882 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.838 2.178 -1.374 1.00 0.00 C ATOM 0 H ILE A 69 -6.701 5.061 0.580 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.240 3.173 2.582 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.089 3.533 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.055 1.419 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.637 3.059 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.378 1.184 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.519 2.219 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.835 1.157 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.806 1.794 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.648 3.135 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.057 1.469 -1.650 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.681 5.133 1.989 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.412 5.588 2.533 1.00 0.00 C ATOM 1091 C LEU A 70 -2.644 6.207 3.912 1.00 0.00 C ATOM 1092 O LEU A 70 -1.803 6.087 4.801 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.713 6.526 1.547 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.019 5.856 0.360 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.613 6.889 -0.694 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.171 5.013 0.824 1.00 0.00 C ATOM 0 H LEU A 70 -3.991 5.630 1.154 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.734 4.746 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.450 7.230 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.972 7.109 2.094 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.730 5.178 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.122 6.385 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.501 7.407 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.073 7.611 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.646 4.548 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.892 5.651 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.176 4.238 1.508 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.791 6.857 4.047 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.145 7.495 5.303 1.00 0.00 C ATOM 1110 C LYS A 71 -4.496 6.422 6.335 1.00 0.00 C ATOM 1111 O LYS A 71 -4.456 6.676 7.538 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.256 8.526 5.086 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.764 9.939 5.407 1.00 0.00 C ATOM 1114 CD LYS A 71 -5.930 10.929 5.451 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.426 12.372 5.410 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.563 13.320 5.426 1.00 0.00 N ATOM 0 H LYS A 71 -4.487 6.955 3.307 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.296 8.053 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.600 8.483 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.111 8.283 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.246 9.938 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.041 10.256 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.597 10.749 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.513 10.769 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.776 12.561 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.827 12.529 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.202 14.295 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.168 13.150 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.118 13.181 6.294 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.833 5.246 5.827 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.190 4.133 6.690 1.00 0.00 C ATOM 1132 C ALA A 72 -4.125 3.040 6.573 1.00 0.00 C ATOM 1133 O ALA A 72 -4.384 1.879 6.884 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.586 3.627 6.320 1.00 0.00 C ATOM 0 H ALA A 72 -4.866 5.040 4.829 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.223 4.451 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.854 2.792 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.310 4.432 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.590 3.296 5.281 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.948 3.451 6.124 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.842 2.522 5.962 1.00 0.00 C ATOM 1142 C ARG A 73 -1.507 1.858 7.299 1.00 0.00 C ATOM 1143 O ARG A 73 -1.170 0.676 7.341 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.597 3.234 5.428 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.047 4.221 6.459 1.00 0.00 C ATOM 1146 CD ARG A 73 1.051 5.095 5.849 1.00 0.00 C ATOM 1147 NE ARG A 73 1.516 6.090 6.841 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.698 6.717 6.779 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.543 6.456 5.772 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.036 7.605 7.724 1.00 0.00 N ATOM 0 H ARG A 73 -2.736 4.415 5.867 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.149 1.764 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.168 2.499 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.843 3.763 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.854 4.852 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.351 3.675 7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.886 4.473 5.527 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.672 5.603 4.962 1.00 0.00 H new ATOM 0 HE ARG A 73 0.897 6.312 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.286 5.780 5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.443 6.933 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.393 7.803 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.936 8.082 7.677 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.612 2.647 8.359 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.324 2.151 9.693 1.00 0.00 C ATOM 1166 C GLU A 74 -2.479 1.283 10.197 1.00 0.00 C ATOM 1167 O GLU A 74 -2.282 0.409 11.041 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.043 3.304 10.659 1.00 0.00 C ATOM 1169 CG GLU A 74 0.405 3.783 10.533 1.00 0.00 C ATOM 1170 CD GLU A 74 1.262 3.242 11.679 1.00 0.00 C ATOM 1171 OE1 GLU A 74 1.012 3.671 12.827 1.00 0.00 O ATOM 1172 OE2 GLU A 74 2.149 2.413 11.383 1.00 0.00 O ATOM 0 H GLU A 74 -1.893 3.627 8.320 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.426 1.535 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.723 4.131 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.236 2.981 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.818 3.456 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.433 4.873 10.536 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.659 1.553 9.658 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.846 0.808 10.043 1.00 0.00 C ATOM 1181 C HIS A 75 -4.904 -0.505 9.258 1.00 0.00 C ATOM 1182 O HIS A 75 -5.218 -1.553 9.819 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.103 1.661 9.866 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.425 2.535 11.055 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.972 2.039 12.225 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.268 3.878 11.241 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.135 3.045 13.070 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.699 4.185 12.459 1.00 0.00 N ATOM 0 H HIS A 75 -3.819 2.277 8.958 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.795 0.556 11.102 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.980 2.293 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.951 1.004 9.671 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.862 4.573 10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.542 2.976 14.068 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.703 5.119 12.870 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.596 -0.403 7.974 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.610 -1.568 7.107 1.00 0.00 C ATOM 1198 C VAL A 76 -3.860 -2.715 7.788 1.00 0.00 C ATOM 1199 O VAL A 76 -2.718 -2.548 8.214 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.032 -1.209 5.736 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.872 -2.455 4.864 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.896 -0.157 5.037 1.00 0.00 C ATOM 0 H VAL A 76 -4.335 0.469 7.513 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.633 -1.903 6.936 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.042 -0.781 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.460 -2.171 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.198 -3.158 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.845 -2.926 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.464 0.081 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.905 -0.547 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.935 0.745 5.647 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.533 -3.853 7.873 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.945 -5.026 8.495 1.00 0.00 C ATOM 1214 C ARG A 77 -4.330 -6.289 7.720 1.00 0.00 C ATOM 1215 O ARG A 77 -5.481 -6.446 7.316 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.405 -5.168 9.948 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.828 -6.433 10.585 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.621 -6.102 11.466 1.00 0.00 C ATOM 1219 NE ARG A 77 -2.199 -7.304 12.218 1.00 0.00 N ATOM 1220 CZ ARG A 77 -1.319 -7.288 13.229 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.763 -6.130 13.614 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -0.994 -8.427 13.854 1.00 0.00 N ATOM 0 H ARG A 77 -5.481 -3.987 7.521 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.862 -4.902 8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.092 -4.294 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.494 -5.201 9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.595 -6.926 11.183 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.532 -7.135 9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.798 -5.741 10.849 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.875 -5.300 12.159 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.603 -8.201 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.010 -5.263 13.138 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.093 -6.117 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.416 -9.308 13.561 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.324 -8.413 14.623 1.00 0.00 H new ATOM 1236 N MET A 78 -3.345 -7.155 7.537 1.00 0.00 N ATOM 1237 CA MET A 78 -3.566 -8.398 6.818 1.00 0.00 C ATOM 1238 C MET A 78 -3.453 -9.601 7.755 1.00 0.00 C ATOM 1239 O MET A 78 -2.592 -9.630 8.633 1.00 0.00 O ATOM 1240 CB MET A 78 -2.536 -8.528 5.694 1.00 0.00 C ATOM 1241 CG MET A 78 -2.888 -7.612 4.519 1.00 0.00 C ATOM 1242 SD MET A 78 -1.574 -7.637 3.311 1.00 0.00 S ATOM 1243 CE MET A 78 -2.322 -6.659 2.018 1.00 0.00 C ATOM 0 H MET A 78 -2.392 -7.021 7.874 1.00 0.00 H new ATOM 0 HA MET A 78 -4.573 -8.380 6.400 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.546 -8.276 6.073 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.493 -9.562 5.353 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.821 -7.938 4.060 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.046 -6.594 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.543 -6.246 1.377 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.985 -7.288 1.424 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.895 -5.845 2.463 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.336 -10.566 7.537 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.345 -11.769 8.352 1.00 0.00 C ATOM 1255 C VAL A 79 -4.440 -12.996 7.442 1.00 0.00 C ATOM 1256 O VAL A 79 -5.395 -13.135 6.680 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.479 -11.697 9.377 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.548 -12.979 10.209 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.328 -10.468 10.276 1.00 0.00 C ATOM 0 H VAL A 79 -5.049 -10.539 6.808 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.417 -11.854 8.917 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.418 -11.600 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.362 -12.902 10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.725 -13.830 9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.606 -13.120 10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.147 -10.441 10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.378 -10.521 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.351 -9.565 9.665 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.435 -13.852 7.551 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.393 -15.062 6.747 1.00 0.00 C ATOM 1271 C ILE A 80 -4.473 -16.030 7.234 1.00 0.00 C ATOM 1272 O ILE A 80 -4.312 -16.676 8.270 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.984 -15.659 6.751 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.938 -14.598 6.405 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.900 -16.871 5.822 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.013 -14.217 4.924 1.00 0.00 C ATOM 0 H ILE A 80 -2.644 -13.732 8.183 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.615 -14.835 5.704 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.765 -16.010 7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.096 -13.712 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.058 -14.975 6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.888 -17.276 5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.604 -17.634 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.148 -16.568 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.259 -13.461 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.831 -15.100 4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.002 -13.818 4.701 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.549 -16.103 6.466 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.654 -16.982 6.805 1.00 0.00 C ATOM 1290 C ILE A 81 -6.228 -18.436 6.592 1.00 0.00 C ATOM 1291 O ILE A 81 -6.241 -19.233 7.528 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.911 -16.589 6.026 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.354 -15.168 6.380 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.031 -17.609 6.240 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.550 -15.016 7.890 1.00 0.00 C ATOM 0 H ILE A 81 -5.679 -15.567 5.608 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.914 -16.877 7.858 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.669 -16.595 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.608 -14.453 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.285 -14.934 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.912 -17.305 5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.700 -18.590 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.279 -17.660 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.865 -13.997 8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.314 -15.715 8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.611 -15.227 8.402 1.00 0.00 H new ATOM 1307 N ASN A 82 -5.861 -18.736 5.355 1.00 0.00 N ATOM 1308 CA ASN A 82 -5.432 -20.080 5.008 1.00 0.00 C ATOM 1309 C ASN A 82 -4.025 -20.023 4.411 1.00 0.00 C ATOM 1310 O ASN A 82 -3.572 -18.965 3.979 1.00 0.00 O ATOM 1311 CB ASN A 82 -6.363 -20.703 3.964 1.00 0.00 C ATOM 1312 CG ASN A 82 -6.747 -22.132 4.355 1.00 0.00 C ATOM 1313 OD1 ASN A 82 -6.266 -23.105 3.799 1.00 0.00 O ATOM 1314 ND2 ASN A 82 -7.638 -22.202 5.341 1.00 0.00 N ATOM 0 H ASN A 82 -5.852 -18.072 4.581 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.450 -20.685 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.262 -20.095 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.872 -20.708 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.959 -23.111 5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.000 -21.347 5.763 1.00 0.00 H new ATOM 1321 N GLN A 83 -3.372 -21.176 4.406 1.00 0.00 N ATOM 1322 CA GLN A 83 -2.025 -21.270 3.870 1.00 0.00 C ATOM 1323 C GLN A 83 -1.996 -20.788 2.418 1.00 0.00 C ATOM 1324 O GLN A 83 -2.728 -21.305 1.575 1.00 0.00 O ATOM 1325 CB GLN A 83 -1.488 -22.698 3.985 1.00 0.00 C ATOM 1326 CG GLN A 83 -0.016 -22.700 4.401 1.00 0.00 C ATOM 1327 CD GLN A 83 0.352 -24.003 5.113 1.00 0.00 C ATOM 1328 OE1 GLN A 83 0.473 -25.057 4.510 1.00 0.00 O ATOM 1329 NE2 GLN A 83 0.523 -23.872 6.425 1.00 0.00 N ATOM 0 H GLN A 83 -3.751 -22.053 4.765 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.374 -20.624 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.076 -23.254 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.600 -23.210 3.029 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.614 -22.572 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.180 -21.854 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.406 -22.960 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.771 -24.684 6.991 1.00 0.00 H new ATOM 1338 N SER A 84 -1.144 -19.805 2.172 1.00 0.00 N ATOM 1339 CA SER A 84 -1.011 -19.247 0.836 1.00 0.00 C ATOM 1340 C SER A 84 0.399 -19.506 0.299 1.00 0.00 C ATOM 1341 O SER A 84 1.287 -19.914 1.047 1.00 0.00 O ATOM 1342 CB SER A 84 -1.312 -17.747 0.833 1.00 0.00 C ATOM 1343 OG SER A 84 -2.233 -17.390 -0.196 1.00 0.00 O ATOM 0 H SER A 84 -0.539 -19.380 2.874 1.00 0.00 H new ATOM 0 HA SER A 84 -1.737 -19.737 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.720 -17.457 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.384 -17.191 0.698 1.00 0.00 H new ATOM 0 HG SER A 84 -2.401 -16.425 -0.164 1.00 0.00 H new ATOM 1349 N GLY A 85 0.560 -19.258 -0.992 1.00 0.00 N ATOM 1350 CA GLY A 85 1.847 -19.459 -1.637 1.00 0.00 C ATOM 1351 C GLY A 85 2.451 -18.126 -2.081 1.00 0.00 C ATOM 1352 O GLY A 85 1.742 -17.252 -2.577 1.00 0.00 O ATOM 0 H GLY A 85 -0.179 -18.920 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.528 -19.960 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.727 -20.114 -2.500 1.00 0.00 H new ATOM 1356 N PRO A 86 3.791 -18.008 -1.882 1.00 0.00 N ATOM 1357 CA PRO A 86 4.500 -16.796 -2.256 1.00 0.00 C ATOM 1358 C PRO A 86 4.683 -16.715 -3.774 1.00 0.00 C ATOM 1359 O PRO A 86 4.234 -17.596 -4.505 1.00 0.00 O ATOM 1360 CB PRO A 86 5.819 -16.863 -1.502 1.00 0.00 C ATOM 1361 CG PRO A 86 5.997 -18.319 -1.103 1.00 0.00 C ATOM 1362 CD PRO A 86 4.664 -19.023 -1.299 1.00 0.00 C ATOM 0 HA PRO A 86 3.953 -15.890 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.645 -16.526 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.801 -16.217 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.770 -18.789 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.319 -18.393 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.765 -19.885 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.267 -19.390 -0.353 1.00 0.00 H new ATOM 1370 N SER A 87 5.343 -15.648 -4.201 1.00 0.00 N ATOM 1371 CA SER A 87 5.591 -15.439 -5.617 1.00 0.00 C ATOM 1372 C SER A 87 6.408 -14.162 -5.823 1.00 0.00 C ATOM 1373 O SER A 87 5.856 -13.114 -6.157 1.00 0.00 O ATOM 1374 CB SER A 87 4.278 -15.361 -6.400 1.00 0.00 C ATOM 1375 OG SER A 87 4.476 -15.575 -7.795 1.00 0.00 O ATOM 0 H SER A 87 5.713 -14.919 -3.591 1.00 0.00 H new ATOM 0 HA SER A 87 6.158 -16.290 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.581 -16.105 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.820 -14.384 -6.244 1.00 0.00 H new ATOM 0 HG SER A 87 3.615 -15.519 -8.260 1.00 0.00 H new ATOM 1381 N SER A 88 7.711 -14.291 -5.614 1.00 0.00 N ATOM 1382 CA SER A 88 8.609 -13.160 -5.772 1.00 0.00 C ATOM 1383 C SER A 88 9.987 -13.647 -6.227 1.00 0.00 C ATOM 1384 O SER A 88 10.291 -14.835 -6.133 1.00 0.00 O ATOM 1385 CB SER A 88 8.729 -12.365 -4.470 1.00 0.00 C ATOM 1386 OG SER A 88 8.610 -10.963 -4.689 1.00 0.00 O ATOM 0 H SER A 88 8.165 -15.161 -5.337 1.00 0.00 H new ATOM 0 HA SER A 88 8.195 -12.498 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.956 -12.690 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.690 -12.579 -4.002 1.00 0.00 H new ATOM 0 HG SER A 88 8.690 -10.490 -3.834 1.00 0.00 H new ATOM 1392 N GLY A 89 10.783 -12.703 -6.707 1.00 0.00 N ATOM 1393 CA GLY A 89 12.121 -13.020 -7.175 1.00 0.00 C ATOM 1394 C GLY A 89 12.144 -14.370 -7.896 1.00 0.00 C ATOM 1395 O GLY A 89 12.607 -14.463 -9.032 1.00 0.00 O ATOM 0 H GLY A 89 10.527 -11.719 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.469 -12.238 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.810 -13.043 -6.330 1.00 0.00 H new TER 1399 GLY A 89