USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 843 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 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0 X(o=0,f=-0.014) USER MOD Set 2.1: A 54 CYS SG : rot -98:sc= -2.19! USER MOD Set 2.2: A 55 ASN : amide:sc= 0.17 X(o=-2,f=-2.5) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -178:sc= 1.5 (180deg=0.635) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0.758 USER MOD Single : A 1 MET CE :methyl -132:sc= -3.54! (180deg=-4.64!) USER MOD Single : A 1 MET N :NH3+ -127:sc= 2.15 (180deg=0.25) USER MOD Single : A 4 SER OG : rot -152:sc= 1.33 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0924 USER MOD Single : A 28 MET CE :methyl 167:sc= -0.202 (180deg=-0.572) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.895) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-2.5) USER MOD Single : A 57 MET CE :methyl -164:sc= -0.252 (180deg=-0.892) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 61 MET CE :methyl -121:sc= -4.77 (180deg=-8.32!) USER MOD Single : A 64 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.2) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc=-0.00141 X(o=-0.0014,f=-0.0043) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.0657 X(o=-0.066,f=-0.04) USER MOD Single : A 105 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.597 -8.997 -3.833 1.00 0.00 N ATOM 2 CA MET A 1 -5.549 -9.041 -4.875 1.00 0.00 C ATOM 3 C MET A 1 -4.434 -8.065 -4.525 1.00 0.00 C ATOM 4 O MET A 1 -4.357 -7.611 -3.386 1.00 0.00 O ATOM 5 CB MET A 1 -6.149 -8.733 -6.249 1.00 0.00 C ATOM 6 CG MET A 1 -6.700 -7.326 -6.412 1.00 0.00 C ATOM 7 SD MET A 1 -8.162 -7.020 -5.407 1.00 0.00 S ATOM 8 CE MET A 1 -8.775 -5.530 -6.186 1.00 0.00 C ATOM 0 H1 MET A 1 -6.782 -9.960 -3.486 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.277 -8.400 -3.044 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.470 -8.601 -4.235 1.00 0.00 H new ATOM 0 HA MET A 1 -5.125 -10.044 -4.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.383 -8.897 -7.007 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.950 -9.445 -6.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.926 -6.606 -6.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.945 -7.157 -7.461 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.007 -4.788 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.015 -5.132 -6.859 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.677 -5.760 -6.753 1.00 0.00 H new ATOM 20 N LYS A 2 -3.569 -7.741 -5.478 1.00 0.00 N ATOM 21 CA LYS A 2 -2.401 -6.918 -5.186 1.00 0.00 C ATOM 22 C LYS A 2 -2.773 -5.455 -5.032 1.00 0.00 C ATOM 23 O LYS A 2 -3.741 -4.980 -5.626 1.00 0.00 O ATOM 24 CB LYS A 2 -1.343 -7.061 -6.284 1.00 0.00 C ATOM 25 CG LYS A 2 -0.359 -8.199 -6.057 1.00 0.00 C ATOM 26 CD LYS A 2 -1.062 -9.531 -5.852 1.00 0.00 C ATOM 27 CE LYS A 2 -0.099 -10.604 -5.372 1.00 0.00 C ATOM 28 NZ LYS A 2 0.517 -10.251 -4.062 1.00 0.00 N ATOM 0 H LYS A 2 -3.652 -8.032 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.990 -7.273 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.845 -7.215 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.788 -6.126 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.313 -8.272 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.257 -7.977 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.865 -9.411 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.523 -9.847 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.628 -11.552 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.685 -10.747 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.193 -10.992 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.015 -9.342 -4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.226 -10.173 -3.339 1.00 0.00 H new ATOM 42 N LEU A 3 -1.995 -4.751 -4.224 1.00 0.00 N ATOM 43 CA LEU A 3 -2.133 -3.313 -4.073 1.00 0.00 C ATOM 44 C LEU A 3 -1.777 -2.627 -5.392 1.00 0.00 C ATOM 45 O LEU A 3 -2.316 -1.577 -5.736 1.00 0.00 O ATOM 46 CB LEU A 3 -1.236 -2.840 -2.921 1.00 0.00 C ATOM 47 CG LEU A 3 -1.118 -1.329 -2.708 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.476 -0.659 -2.679 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.390 -1.059 -1.409 1.00 0.00 C ATOM 0 H LEU A 3 -1.253 -5.160 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.162 -3.050 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.608 -3.284 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.235 -3.238 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.559 -0.913 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.350 0.413 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.988 -0.833 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.069 -1.074 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.305 0.017 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.946 -1.500 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.606 -1.499 -1.452 1.00 0.00 H new ATOM 61 N SER A 4 -0.881 -3.257 -6.138 1.00 0.00 N ATOM 62 CA SER A 4 -0.532 -2.805 -7.478 1.00 0.00 C ATOM 63 C SER A 4 -1.695 -3.022 -8.450 1.00 0.00 C ATOM 64 O SER A 4 -1.796 -2.351 -9.479 1.00 0.00 O ATOM 65 CB SER A 4 0.712 -3.561 -7.957 1.00 0.00 C ATOM 66 OG SER A 4 1.089 -3.190 -9.270 1.00 0.00 O ATOM 0 H SER A 4 -0.378 -4.091 -5.834 1.00 0.00 H new ATOM 0 HA SER A 4 -0.320 -1.736 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.539 -3.366 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.518 -4.633 -7.925 1.00 0.00 H new ATOM 0 HG SER A 4 1.544 -3.941 -9.704 1.00 0.00 H new ATOM 72 N GLU A 5 -2.586 -3.949 -8.111 1.00 0.00 N ATOM 73 CA GLU A 5 -3.711 -4.278 -8.979 1.00 0.00 C ATOM 74 C GLU A 5 -4.921 -3.406 -8.666 1.00 0.00 C ATOM 75 O GLU A 5 -5.959 -3.502 -9.326 1.00 0.00 O ATOM 76 CB GLU A 5 -4.083 -5.752 -8.843 1.00 0.00 C ATOM 77 CG GLU A 5 -2.967 -6.690 -9.264 1.00 0.00 C ATOM 78 CD GLU A 5 -3.363 -8.144 -9.165 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.611 -8.622 -8.037 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.412 -8.821 -10.212 1.00 0.00 O ATOM 0 H GLU A 5 -2.551 -4.484 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.403 -4.084 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.351 -5.959 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.967 -5.955 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.676 -6.465 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.092 -6.512 -8.639 1.00 0.00 H new ATOM 87 N LEU A 6 -4.786 -2.562 -7.653 1.00 0.00 N ATOM 88 CA LEU A 6 -5.854 -1.648 -7.273 1.00 0.00 C ATOM 89 C LEU A 6 -5.941 -0.473 -8.237 1.00 0.00 C ATOM 90 O LEU A 6 -5.028 -0.230 -9.029 1.00 0.00 O ATOM 91 CB LEU A 6 -5.652 -1.136 -5.845 1.00 0.00 C ATOM 92 CG LEU A 6 -5.985 -2.137 -4.743 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.786 -1.511 -3.371 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.411 -2.628 -4.897 1.00 0.00 C ATOM 0 H LEU A 6 -3.946 -2.491 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.791 -2.203 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.613 -0.826 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.267 -0.247 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.309 -2.987 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.029 -2.241 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.748 -1.198 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.439 -0.644 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.638 -3.342 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.096 -1.783 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.526 -3.113 -5.866 1.00 0.00 H new ATOM 106 N LYS A 7 -7.043 0.252 -8.160 1.00 0.00 N ATOM 107 CA LYS A 7 -7.287 1.373 -9.049 1.00 0.00 C ATOM 108 C LYS A 7 -7.422 2.653 -8.239 1.00 0.00 C ATOM 109 O LYS A 7 -7.664 2.608 -7.031 1.00 0.00 O ATOM 110 CB LYS A 7 -8.566 1.136 -9.857 1.00 0.00 C ATOM 111 CG LYS A 7 -8.703 -0.286 -10.383 1.00 0.00 C ATOM 112 CD LYS A 7 -9.947 -0.457 -11.242 1.00 0.00 C ATOM 113 CE LYS A 7 -11.219 -0.203 -10.449 1.00 0.00 C ATOM 114 NZ LYS A 7 -12.429 -0.336 -11.300 1.00 0.00 N ATOM 0 H LYS A 7 -7.788 0.082 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.446 1.468 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.428 1.367 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.587 1.829 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.820 -0.543 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.743 -0.981 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.902 0.230 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.970 -1.467 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.278 -0.907 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.185 0.797 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.278 -0.156 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.384 0.353 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.474 -1.298 -11.692 1.00 0.00 H new ATOM 128 N ALA A 8 -7.261 3.790 -8.900 1.00 0.00 N ATOM 129 CA ALA A 8 -7.395 5.081 -8.239 1.00 0.00 C ATOM 130 C ALA A 8 -8.817 5.275 -7.721 1.00 0.00 C ATOM 131 O ALA A 8 -9.778 5.285 -8.496 1.00 0.00 O ATOM 132 CB ALA A 8 -7.008 6.206 -9.186 1.00 0.00 C ATOM 0 H ALA A 8 -7.037 3.845 -9.894 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.717 5.103 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.114 7.164 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.973 6.076 -9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.659 6.186 -10.060 1.00 0.00 H new ATOM 138 N GLY A 9 -8.945 5.412 -6.410 1.00 0.00 N ATOM 139 CA GLY A 9 -10.248 5.576 -5.801 1.00 0.00 C ATOM 140 C GLY A 9 -10.732 4.309 -5.118 1.00 0.00 C ATOM 141 O GLY A 9 -11.712 4.333 -4.372 1.00 0.00 O ATOM 0 H GLY A 9 -8.164 5.412 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.206 6.385 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.968 5.872 -6.564 1.00 0.00 H new ATOM 145 N ASP A 10 -10.050 3.199 -5.380 1.00 0.00 N ATOM 146 CA ASP A 10 -10.393 1.921 -4.763 1.00 0.00 C ATOM 147 C ASP A 10 -9.835 1.850 -3.351 1.00 0.00 C ATOM 148 O ASP A 10 -8.733 2.335 -3.087 1.00 0.00 O ATOM 149 CB ASP A 10 -9.875 0.750 -5.609 1.00 0.00 C ATOM 150 CG ASP A 10 -10.767 0.463 -6.802 1.00 0.00 C ATOM 151 OD1 ASP A 10 -10.825 1.302 -7.723 1.00 0.00 O ATOM 152 OD2 ASP A 10 -11.434 -0.595 -6.810 1.00 0.00 O ATOM 0 H ASP A 10 -9.254 3.158 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.479 1.845 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.867 0.974 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.806 -0.142 -4.987 1.00 0.00 H new ATOM 157 N ARG A 11 -10.602 1.263 -2.440 1.00 0.00 N ATOM 158 CA ARG A 11 -10.196 1.195 -1.045 1.00 0.00 C ATOM 159 C ARG A 11 -10.193 -0.250 -0.565 1.00 0.00 C ATOM 160 O ARG A 11 -11.160 -0.987 -0.767 1.00 0.00 O ATOM 161 CB ARG A 11 -11.133 2.039 -0.182 1.00 0.00 C ATOM 162 CG ARG A 11 -10.555 2.379 1.180 1.00 0.00 C ATOM 163 CD ARG A 11 -11.484 3.283 1.969 1.00 0.00 C ATOM 164 NE ARG A 11 -10.799 3.933 3.085 1.00 0.00 N ATOM 165 CZ ARG A 11 -11.411 4.693 3.990 1.00 0.00 C ATOM 166 NH1 ARG A 11 -12.734 4.806 3.988 1.00 0.00 N ATOM 167 NH2 ARG A 11 -10.700 5.324 4.916 1.00 0.00 N ATOM 0 H ARG A 11 -11.503 0.830 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.185 1.592 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.367 2.963 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.072 1.502 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.377 1.461 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.589 2.869 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.899 4.043 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.322 2.699 2.349 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.792 3.796 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.287 4.309 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.197 5.390 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.685 5.226 4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.169 5.907 5.610 1.00 0.00 H new ATOM 181 N ALA A 12 -9.108 -0.650 0.072 1.00 0.00 N ATOM 182 CA ALA A 12 -8.949 -2.022 0.510 1.00 0.00 C ATOM 183 C ALA A 12 -8.264 -2.080 1.864 1.00 0.00 C ATOM 184 O ALA A 12 -7.877 -1.051 2.420 1.00 0.00 O ATOM 185 CB ALA A 12 -8.154 -2.811 -0.518 1.00 0.00 C ATOM 0 H ALA A 12 -8.322 -0.041 0.298 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.939 -2.468 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.041 -3.841 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.681 -2.800 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.170 -2.359 -0.642 1.00 0.00 H new ATOM 191 N GLU A 13 -8.135 -3.283 2.389 1.00 0.00 N ATOM 192 CA GLU A 13 -7.449 -3.510 3.648 1.00 0.00 C ATOM 193 C GLU A 13 -6.285 -4.473 3.435 1.00 0.00 C ATOM 194 O GLU A 13 -6.434 -5.495 2.769 1.00 0.00 O ATOM 195 CB GLU A 13 -8.425 -4.073 4.682 1.00 0.00 C ATOM 196 CG GLU A 13 -7.818 -4.260 6.060 1.00 0.00 C ATOM 197 CD GLU A 13 -8.834 -4.689 7.095 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.733 -3.885 7.413 1.00 0.00 O ATOM 199 OE2 GLU A 13 -8.733 -5.825 7.603 1.00 0.00 O ATOM 0 H GLU A 13 -8.502 -4.130 1.956 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.058 -2.563 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.282 -3.404 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.801 -5.033 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.025 -5.006 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.355 -3.326 6.378 1.00 0.00 H new ATOM 206 N VAL A 14 -5.128 -4.135 3.984 1.00 0.00 N ATOM 207 CA VAL A 14 -3.945 -4.971 3.837 1.00 0.00 C ATOM 208 C VAL A 14 -4.075 -6.236 4.672 1.00 0.00 C ATOM 209 O VAL A 14 -4.085 -6.183 5.904 1.00 0.00 O ATOM 210 CB VAL A 14 -2.659 -4.222 4.244 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.436 -5.112 4.066 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.505 -2.945 3.436 1.00 0.00 C ATOM 0 H VAL A 14 -4.983 -3.289 4.535 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.871 -5.234 2.782 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.741 -3.957 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.541 -4.563 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.538 -6.000 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.353 -5.411 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.592 -2.431 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.450 -3.190 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.362 -2.296 3.614 1.00 0.00 H new ATOM 222 N THR A 15 -4.191 -7.369 3.999 1.00 0.00 N ATOM 223 CA THR A 15 -4.284 -8.646 4.677 1.00 0.00 C ATOM 224 C THR A 15 -2.898 -9.236 4.895 1.00 0.00 C ATOM 225 O THR A 15 -2.621 -9.838 5.934 1.00 0.00 O ATOM 226 CB THR A 15 -5.155 -9.632 3.879 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.782 -9.603 2.494 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.627 -9.284 4.019 1.00 0.00 C ATOM 0 H THR A 15 -4.223 -7.428 2.981 1.00 0.00 H new ATOM 0 HA THR A 15 -4.754 -8.477 5.646 1.00 0.00 H new ATOM 0 HB THR A 15 -4.994 -10.634 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.339 -10.234 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.225 -9.994 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.914 -9.332 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.800 -8.276 3.641 1.00 0.00 H new ATOM 236 N SER A 16 -2.022 -9.051 3.917 1.00 0.00 N ATOM 237 CA SER A 16 -0.655 -9.536 4.014 1.00 0.00 C ATOM 238 C SER A 16 0.276 -8.710 3.132 1.00 0.00 C ATOM 239 O SER A 16 0.125 -8.667 1.910 1.00 0.00 O ATOM 240 CB SER A 16 -0.585 -11.016 3.618 1.00 0.00 C ATOM 241 OG SER A 16 -1.396 -11.817 4.468 1.00 0.00 O ATOM 0 H SER A 16 -2.236 -8.567 3.045 1.00 0.00 H new ATOM 0 HA SER A 16 -0.329 -9.433 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.910 -11.134 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.448 -11.360 3.668 1.00 0.00 H new ATOM 0 HG SER A 16 -1.333 -12.755 4.191 1.00 0.00 H new ATOM 247 N VAL A 17 1.224 -8.035 3.762 1.00 0.00 N ATOM 248 CA VAL A 17 2.225 -7.273 3.037 1.00 0.00 C ATOM 249 C VAL A 17 3.507 -8.090 2.888 1.00 0.00 C ATOM 250 O VAL A 17 4.221 -8.342 3.859 1.00 0.00 O ATOM 251 CB VAL A 17 2.522 -5.915 3.729 1.00 0.00 C ATOM 252 CG1 VAL A 17 2.752 -6.090 5.224 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.715 -5.218 3.084 1.00 0.00 C ATOM 0 H VAL A 17 1.320 -8.000 4.777 1.00 0.00 H new ATOM 0 HA VAL A 17 1.826 -7.057 2.046 1.00 0.00 H new ATOM 0 HB VAL A 17 1.643 -5.284 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.957 -5.120 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.862 -6.523 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.602 -6.753 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.899 -4.270 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.597 -5.852 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.503 -5.033 2.031 1.00 0.00 H new ATOM 263 N ALA A 18 3.780 -8.525 1.669 1.00 0.00 N ATOM 264 CA ALA A 18 4.984 -9.288 1.394 1.00 0.00 C ATOM 265 C ALA A 18 6.086 -8.369 0.897 1.00 0.00 C ATOM 266 O ALA A 18 6.062 -7.905 -0.241 1.00 0.00 O ATOM 267 CB ALA A 18 4.708 -10.395 0.388 1.00 0.00 C ATOM 0 H ALA A 18 3.185 -8.363 0.856 1.00 0.00 H new ATOM 0 HA ALA A 18 5.315 -9.756 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.626 -10.952 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.950 -11.069 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.350 -9.958 -0.544 1.00 0.00 H new ATOM 273 N ALA A 19 7.038 -8.102 1.770 1.00 0.00 N ATOM 274 CA ALA A 19 8.156 -7.234 1.449 1.00 0.00 C ATOM 275 C ALA A 19 9.348 -7.607 2.308 1.00 0.00 C ATOM 276 O ALA A 19 9.221 -8.427 3.223 1.00 0.00 O ATOM 277 CB ALA A 19 7.791 -5.772 1.666 1.00 0.00 C ATOM 0 H ALA A 19 7.059 -8.478 2.718 1.00 0.00 H new ATOM 0 HA ALA A 19 8.409 -7.365 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.646 -5.143 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.949 -5.508 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.516 -5.617 2.709 1.00 0.00 H new ATOM 283 N GLU A 20 10.491 -7.008 2.020 1.00 0.00 N ATOM 284 CA GLU A 20 11.708 -7.286 2.766 1.00 0.00 C ATOM 285 C GLU A 20 11.569 -6.776 4.198 1.00 0.00 C ATOM 286 O GLU A 20 10.867 -5.794 4.443 1.00 0.00 O ATOM 287 CB GLU A 20 12.919 -6.660 2.066 1.00 0.00 C ATOM 288 CG GLU A 20 13.425 -7.461 0.868 1.00 0.00 C ATOM 289 CD GLU A 20 12.355 -7.716 -0.181 1.00 0.00 C ATOM 290 OE1 GLU A 20 12.078 -6.811 -0.992 1.00 0.00 O ATOM 291 OE2 GLU A 20 11.786 -8.828 -0.196 1.00 0.00 O ATOM 0 H GLU A 20 10.602 -6.323 1.272 1.00 0.00 H new ATOM 0 HA GLU A 20 11.867 -8.364 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.655 -5.656 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.729 -6.554 2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.256 -6.926 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.816 -8.416 1.218 1.00 0.00 H new ATOM 298 N PRO A 21 12.231 -7.449 5.158 1.00 0.00 N ATOM 299 CA PRO A 21 12.069 -7.193 6.598 1.00 0.00 C ATOM 300 C PRO A 21 12.109 -5.710 6.971 1.00 0.00 C ATOM 301 O PRO A 21 11.292 -5.244 7.769 1.00 0.00 O ATOM 302 CB PRO A 21 13.244 -7.947 7.247 1.00 0.00 C ATOM 303 CG PRO A 21 14.095 -8.436 6.120 1.00 0.00 C ATOM 304 CD PRO A 21 13.199 -8.523 4.920 1.00 0.00 C ATOM 0 HA PRO A 21 11.089 -7.526 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.811 -7.291 7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.886 -8.778 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.925 -7.754 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.527 -9.409 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.750 -8.372 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.713 -9.496 4.848 1.00 0.00 H new ATOM 312 N ALA A 22 13.040 -4.967 6.390 1.00 0.00 N ATOM 313 CA ALA A 22 13.175 -3.552 6.704 1.00 0.00 C ATOM 314 C ALA A 22 12.049 -2.742 6.081 1.00 0.00 C ATOM 315 O ALA A 22 11.387 -1.964 6.763 1.00 0.00 O ATOM 316 CB ALA A 22 14.523 -3.027 6.243 1.00 0.00 C ATOM 0 H ALA A 22 13.708 -5.317 5.704 1.00 0.00 H new ATOM 0 HA ALA A 22 13.111 -3.443 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.604 -1.968 6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.319 -3.577 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.616 -3.159 5.165 1.00 0.00 H new ATOM 322 N VAL A 23 11.807 -2.962 4.797 1.00 0.00 N ATOM 323 CA VAL A 23 10.820 -2.185 4.060 1.00 0.00 C ATOM 324 C VAL A 23 9.422 -2.436 4.609 1.00 0.00 C ATOM 325 O VAL A 23 8.622 -1.512 4.751 1.00 0.00 O ATOM 326 CB VAL A 23 10.862 -2.527 2.555 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.800 -1.752 1.787 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.246 -2.253 1.985 1.00 0.00 C ATOM 0 H VAL A 23 12.282 -3.674 4.242 1.00 0.00 H new ATOM 0 HA VAL A 23 11.064 -1.130 4.184 1.00 0.00 H new ATOM 0 HB VAL A 23 10.646 -3.590 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.853 -2.013 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.813 -2.005 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.973 -0.682 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.258 -2.500 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.491 -1.199 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.982 -2.864 2.507 1.00 0.00 H new ATOM 338 N ARG A 24 9.159 -3.689 4.950 1.00 0.00 N ATOM 339 CA ARG A 24 7.867 -4.093 5.484 1.00 0.00 C ATOM 340 C ARG A 24 7.529 -3.299 6.743 1.00 0.00 C ATOM 341 O ARG A 24 6.464 -2.689 6.835 1.00 0.00 O ATOM 342 CB ARG A 24 7.886 -5.588 5.802 1.00 0.00 C ATOM 343 CG ARG A 24 6.527 -6.161 6.170 1.00 0.00 C ATOM 344 CD ARG A 24 6.643 -7.592 6.662 1.00 0.00 C ATOM 345 NE ARG A 24 7.473 -8.410 5.776 1.00 0.00 N ATOM 346 CZ ARG A 24 7.727 -9.702 5.971 1.00 0.00 C ATOM 347 NH1 ARG A 24 7.167 -10.354 6.984 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.536 -10.346 5.140 1.00 0.00 N ATOM 0 H ARG A 24 9.832 -4.451 4.865 1.00 0.00 H new ATOM 0 HA ARG A 24 7.102 -3.890 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.274 -6.127 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.578 -5.765 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.068 -5.545 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.869 -6.126 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.069 -7.597 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.648 -8.032 6.736 1.00 0.00 H new ATOM 0 HE ARG A 24 7.883 -7.961 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.537 -9.865 7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.367 -11.344 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.960 -9.851 4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.734 -11.336 5.285 1.00 0.00 H new ATOM 362 N ARG A 25 8.452 -3.279 7.697 1.00 0.00 N ATOM 363 CA ARG A 25 8.209 -2.605 8.963 1.00 0.00 C ATOM 364 C ARG A 25 8.239 -1.092 8.810 1.00 0.00 C ATOM 365 O ARG A 25 7.636 -0.373 9.606 1.00 0.00 O ATOM 366 CB ARG A 25 9.198 -3.058 10.035 1.00 0.00 C ATOM 367 CG ARG A 25 8.906 -4.452 10.562 1.00 0.00 C ATOM 368 CD ARG A 25 9.737 -4.773 11.791 1.00 0.00 C ATOM 369 NE ARG A 25 9.388 -6.078 12.354 1.00 0.00 N ATOM 370 CZ ARG A 25 9.621 -6.438 13.612 1.00 0.00 C ATOM 371 NH1 ARG A 25 10.192 -5.586 14.457 1.00 0.00 N ATOM 372 NH2 ARG A 25 9.274 -7.654 14.025 1.00 0.00 N ATOM 0 H ARG A 25 9.369 -3.719 7.618 1.00 0.00 H new ATOM 0 HA ARG A 25 7.207 -2.887 9.286 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.207 -3.035 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.176 -2.350 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.847 -4.534 10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.110 -5.186 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.795 -4.761 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.587 -4.000 12.544 1.00 0.00 H new ATOM 0 HE ARG A 25 8.936 -6.756 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.453 -4.652 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.369 -5.866 15.422 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.831 -8.306 13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.451 -7.935 14.990 1.00 0.00 H new ATOM 386 N ARG A 26 8.944 -0.602 7.800 1.00 0.00 N ATOM 387 CA ARG A 26 8.946 0.828 7.519 1.00 0.00 C ATOM 388 C ARG A 26 7.586 1.260 6.986 1.00 0.00 C ATOM 389 O ARG A 26 7.114 2.357 7.285 1.00 0.00 O ATOM 390 CB ARG A 26 10.057 1.193 6.539 1.00 0.00 C ATOM 391 CG ARG A 26 11.444 1.031 7.134 1.00 0.00 C ATOM 392 CD ARG A 26 12.533 1.300 6.115 1.00 0.00 C ATOM 393 NE ARG A 26 13.862 1.052 6.672 1.00 0.00 N ATOM 394 CZ ARG A 26 14.963 0.926 5.934 1.00 0.00 C ATOM 395 NH1 ARG A 26 14.892 0.997 4.609 1.00 0.00 N ATOM 396 NH2 ARG A 26 16.133 0.719 6.526 1.00 0.00 N ATOM 0 H ARG A 26 9.515 -1.164 7.169 1.00 0.00 H new ATOM 0 HA ARG A 26 9.139 1.362 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.972 0.566 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.924 2.225 6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.559 1.713 7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.555 0.020 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.380 0.666 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.467 2.333 5.775 1.00 0.00 H new ATOM 0 HE ARG A 26 13.951 0.971 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.992 1.149 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.738 0.900 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.186 0.657 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.979 0.622 5.964 1.00 0.00 H new ATOM 410 N LEU A 27 6.956 0.385 6.208 1.00 0.00 N ATOM 411 CA LEU A 27 5.591 0.614 5.754 1.00 0.00 C ATOM 412 C LEU A 27 4.630 0.485 6.931 1.00 0.00 C ATOM 413 O LEU A 27 3.709 1.286 7.082 1.00 0.00 O ATOM 414 CB LEU A 27 5.211 -0.379 4.648 1.00 0.00 C ATOM 415 CG LEU A 27 6.016 -0.251 3.353 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.582 -1.307 2.352 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.847 1.139 2.759 1.00 0.00 C ATOM 0 H LEU A 27 7.369 -0.488 5.880 1.00 0.00 H new ATOM 0 HA LEU A 27 5.524 1.621 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.332 -1.391 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.154 -0.251 4.414 1.00 0.00 H new ATOM 0 HG LEU A 27 7.070 -0.405 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.164 -1.202 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.746 -2.298 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.523 -1.180 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.426 1.214 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.794 1.316 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.200 1.885 3.471 1.00 0.00 H new ATOM 429 N MET A 28 4.871 -0.519 7.774 1.00 0.00 N ATOM 430 CA MET A 28 4.076 -0.728 8.984 1.00 0.00 C ATOM 431 C MET A 28 4.124 0.505 9.879 1.00 0.00 C ATOM 432 O MET A 28 3.108 0.925 10.432 1.00 0.00 O ATOM 433 CB MET A 28 4.579 -1.953 9.756 1.00 0.00 C ATOM 434 CG MET A 28 4.345 -3.268 9.034 1.00 0.00 C ATOM 435 SD MET A 28 5.029 -4.684 9.922 1.00 0.00 S ATOM 436 CE MET A 28 4.131 -4.591 11.470 1.00 0.00 C ATOM 0 H MET A 28 5.615 -1.204 7.640 1.00 0.00 H new ATOM 0 HA MET A 28 3.043 -0.903 8.683 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.646 -1.838 9.947 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.084 -1.988 10.726 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.274 -3.415 8.894 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.792 -3.217 8.041 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.269 -5.518 12.027 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.507 -3.754 12.059 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.070 -4.444 11.267 1.00 0.00 H new ATOM 446 N ASP A 29 5.315 1.075 10.006 1.00 0.00 N ATOM 447 CA ASP A 29 5.520 2.307 10.769 1.00 0.00 C ATOM 448 C ASP A 29 4.691 3.451 10.187 1.00 0.00 C ATOM 449 O ASP A 29 4.227 4.332 10.913 1.00 0.00 O ATOM 450 CB ASP A 29 7.007 2.675 10.762 1.00 0.00 C ATOM 451 CG ASP A 29 7.308 3.950 11.527 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.353 3.909 12.773 1.00 0.00 O ATOM 453 OD2 ASP A 29 7.522 4.993 10.877 1.00 0.00 O ATOM 0 H ASP A 29 6.166 0.701 9.586 1.00 0.00 H new ATOM 0 HA ASP A 29 5.194 2.140 11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.580 1.855 11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.342 2.789 9.731 1.00 0.00 H new ATOM 458 N LEU A 30 4.489 3.419 8.875 1.00 0.00 N ATOM 459 CA LEU A 30 3.696 4.436 8.187 1.00 0.00 C ATOM 460 C LEU A 30 2.209 4.094 8.243 1.00 0.00 C ATOM 461 O LEU A 30 1.381 4.754 7.617 1.00 0.00 O ATOM 462 CB LEU A 30 4.140 4.573 6.729 1.00 0.00 C ATOM 463 CG LEU A 30 5.573 5.072 6.523 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.921 5.096 5.043 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.745 6.456 7.133 1.00 0.00 C ATOM 0 H LEU A 30 4.865 2.696 8.262 1.00 0.00 H new ATOM 0 HA LEU A 30 3.858 5.386 8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.038 3.603 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.459 5.257 6.222 1.00 0.00 H new ATOM 0 HG LEU A 30 6.254 4.385 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.943 5.453 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.834 4.090 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.236 5.762 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.769 6.797 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.055 7.152 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.535 6.411 8.202 1.00 0.00 H new ATOM 477 N GLY A 31 1.880 3.048 8.987 1.00 0.00 N ATOM 478 CA GLY A 31 0.494 2.695 9.191 1.00 0.00 C ATOM 479 C GLY A 31 0.040 1.547 8.317 1.00 0.00 C ATOM 480 O GLY A 31 -1.101 1.098 8.423 1.00 0.00 O ATOM 0 H GLY A 31 2.551 2.438 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.343 2.429 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.130 3.566 8.990 1.00 0.00 H new ATOM 484 N LEU A 32 0.922 1.061 7.455 1.00 0.00 N ATOM 485 CA LEU A 32 0.580 -0.038 6.562 1.00 0.00 C ATOM 486 C LEU A 32 0.869 -1.365 7.256 1.00 0.00 C ATOM 487 O LEU A 32 1.953 -1.932 7.130 1.00 0.00 O ATOM 488 CB LEU A 32 1.356 0.078 5.238 1.00 0.00 C ATOM 489 CG LEU A 32 0.755 -0.659 4.031 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.416 -0.178 2.750 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.922 -2.166 4.164 1.00 0.00 C ATOM 0 H LEU A 32 1.876 1.408 7.355 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.483 0.008 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.445 1.134 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.367 -0.297 5.400 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.312 -0.438 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.985 -0.705 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.251 0.893 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.487 -0.377 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.487 -2.658 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.982 -2.410 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.417 -2.510 5.067 1.00 0.00 H new ATOM 503 N VAL A 33 -0.103 -1.829 8.024 1.00 0.00 N ATOM 504 CA VAL A 33 0.012 -3.090 8.744 1.00 0.00 C ATOM 505 C VAL A 33 -1.102 -4.040 8.319 1.00 0.00 C ATOM 506 O VAL A 33 -1.904 -3.712 7.448 1.00 0.00 O ATOM 507 CB VAL A 33 -0.063 -2.878 10.274 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.107 -2.042 10.759 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.378 -2.221 10.666 1.00 0.00 C ATOM 0 H VAL A 33 -0.990 -1.346 8.167 1.00 0.00 H new ATOM 0 HA VAL A 33 0.983 -3.520 8.499 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.011 -3.857 10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.034 -1.905 11.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.041 -2.550 10.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.087 -1.069 10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.407 -2.082 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.462 -1.252 10.173 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.208 -2.857 10.359 1.00 0.00 H new ATOM 519 N ARG A 34 -1.153 -5.212 8.933 1.00 0.00 N ATOM 520 CA ARG A 34 -2.243 -6.138 8.681 1.00 0.00 C ATOM 521 C ARG A 34 -3.516 -5.607 9.328 1.00 0.00 C ATOM 522 O ARG A 34 -3.560 -5.385 10.537 1.00 0.00 O ATOM 523 CB ARG A 34 -1.915 -7.534 9.216 1.00 0.00 C ATOM 524 CG ARG A 34 -3.028 -8.540 8.978 1.00 0.00 C ATOM 525 CD ARG A 34 -2.640 -9.931 9.429 1.00 0.00 C ATOM 526 NE ARG A 34 -3.734 -10.877 9.239 1.00 0.00 N ATOM 527 CZ ARG A 34 -3.581 -12.116 8.773 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.375 -12.562 8.433 1.00 0.00 N ATOM 529 NH2 ARG A 34 -4.639 -12.907 8.635 1.00 0.00 N ATOM 0 H ARG A 34 -0.458 -5.541 9.603 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.390 -6.222 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.001 -7.893 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.715 -7.469 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.924 -8.223 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.279 -8.559 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.766 -10.266 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.356 -9.908 10.481 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.677 -10.570 9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.561 -11.955 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.264 -13.511 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.567 -12.566 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.523 -13.856 8.278 1.00 0.00 H new ATOM 543 N GLY A 35 -4.535 -5.378 8.516 1.00 0.00 N ATOM 544 CA GLY A 35 -5.762 -4.798 9.017 1.00 0.00 C ATOM 545 C GLY A 35 -5.844 -3.314 8.728 1.00 0.00 C ATOM 546 O GLY A 35 -6.811 -2.648 9.102 1.00 0.00 O ATOM 0 H GLY A 35 -4.534 -5.584 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.614 -5.304 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.829 -4.963 10.092 1.00 0.00 H new ATOM 550 N ALA A 36 -4.814 -2.796 8.074 1.00 0.00 N ATOM 551 CA ALA A 36 -4.772 -1.393 7.697 1.00 0.00 C ATOM 552 C ALA A 36 -5.664 -1.119 6.492 1.00 0.00 C ATOM 553 O ALA A 36 -5.543 -1.774 5.457 1.00 0.00 O ATOM 554 CB ALA A 36 -3.345 -0.967 7.400 1.00 0.00 C ATOM 0 H ALA A 36 -3.992 -3.331 7.793 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.148 -0.809 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.331 0.086 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.729 -1.114 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.949 -1.567 6.580 1.00 0.00 H new ATOM 560 N LYS A 37 -6.558 -0.156 6.637 1.00 0.00 N ATOM 561 CA LYS A 37 -7.432 0.248 5.547 1.00 0.00 C ATOM 562 C LYS A 37 -6.806 1.409 4.785 1.00 0.00 C ATOM 563 O LYS A 37 -6.407 2.413 5.384 1.00 0.00 O ATOM 564 CB LYS A 37 -8.802 0.656 6.087 1.00 0.00 C ATOM 565 CG LYS A 37 -9.569 -0.486 6.738 1.00 0.00 C ATOM 566 CD LYS A 37 -10.858 0.006 7.380 1.00 0.00 C ATOM 567 CE LYS A 37 -11.718 -1.142 7.889 1.00 0.00 C ATOM 568 NZ LYS A 37 -10.968 -2.056 8.787 1.00 0.00 N ATOM 0 H LYS A 37 -6.699 0.364 7.503 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.562 -0.596 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.672 1.456 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.398 1.063 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.800 -1.244 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.944 -0.963 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.619 0.674 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.425 0.589 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.579 -0.739 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.104 -1.707 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.634 -2.696 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.292 -2.614 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.452 -1.499 9.498 1.00 0.00 H new ATOM 582 N LEU A 38 -6.713 1.276 3.472 1.00 0.00 N ATOM 583 CA LEU A 38 -6.091 2.298 2.647 1.00 0.00 C ATOM 584 C LEU A 38 -6.871 2.509 1.358 1.00 0.00 C ATOM 585 O LEU A 38 -7.474 1.578 0.821 1.00 0.00 O ATOM 586 CB LEU A 38 -4.642 1.926 2.306 1.00 0.00 C ATOM 587 CG LEU A 38 -4.465 0.695 1.413 1.00 0.00 C ATOM 588 CD1 LEU A 38 -3.080 0.695 0.789 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.680 -0.588 2.196 1.00 0.00 C ATOM 0 H LEU A 38 -7.061 0.469 2.954 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.095 3.224 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.173 2.779 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.101 1.757 3.237 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.216 0.742 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.966 -0.185 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.952 1.594 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.326 0.676 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.548 -1.444 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.957 -0.643 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.690 -0.599 2.606 1.00 0.00 H new ATOM 601 N LYS A 39 -6.860 3.739 0.873 1.00 0.00 N ATOM 602 CA LYS A 39 -7.469 4.065 -0.407 1.00 0.00 C ATOM 603 C LYS A 39 -6.391 4.526 -1.377 1.00 0.00 C ATOM 604 O LYS A 39 -5.548 5.354 -1.023 1.00 0.00 O ATOM 605 CB LYS A 39 -8.529 5.164 -0.243 1.00 0.00 C ATOM 606 CG LYS A 39 -9.294 5.470 -1.525 1.00 0.00 C ATOM 607 CD LYS A 39 -10.275 6.617 -1.341 1.00 0.00 C ATOM 608 CE LYS A 39 -9.561 7.945 -1.163 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.509 9.047 -0.862 1.00 0.00 N ATOM 0 H LYS A 39 -6.433 4.534 1.349 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.959 3.174 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.237 4.862 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.044 6.075 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.589 5.719 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.833 4.579 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.936 6.673 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.903 6.422 -0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.834 7.861 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.004 8.182 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.982 9.936 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.188 9.145 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.022 8.833 0.017 1.00 0.00 H new ATOM 623 N VAL A 40 -6.406 3.978 -2.583 1.00 0.00 N ATOM 624 CA VAL A 40 -5.453 4.376 -3.609 1.00 0.00 C ATOM 625 C VAL A 40 -5.775 5.782 -4.097 1.00 0.00 C ATOM 626 O VAL A 40 -6.871 6.038 -4.599 1.00 0.00 O ATOM 627 CB VAL A 40 -5.456 3.403 -4.804 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.427 3.819 -5.845 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.195 1.982 -4.335 1.00 0.00 C ATOM 0 H VAL A 40 -7.066 3.258 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.459 4.355 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.442 3.439 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.448 3.117 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.661 4.820 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.434 3.819 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.201 1.309 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.224 1.934 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.973 1.682 -3.633 1.00 0.00 H new ATOM 639 N LEU A 41 -4.825 6.689 -3.933 1.00 0.00 N ATOM 640 CA LEU A 41 -5.042 8.088 -4.263 1.00 0.00 C ATOM 641 C LEU A 41 -4.679 8.376 -5.708 1.00 0.00 C ATOM 642 O LEU A 41 -5.539 8.721 -6.514 1.00 0.00 O ATOM 643 CB LEU A 41 -4.221 8.986 -3.336 1.00 0.00 C ATOM 644 CG LEU A 41 -4.598 8.914 -1.858 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.677 9.796 -1.039 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.050 9.320 -1.649 1.00 0.00 C ATOM 0 H LEU A 41 -3.894 6.480 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.102 8.301 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.169 8.722 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.325 10.018 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.484 7.883 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.956 9.736 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.647 9.459 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.764 10.828 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.295 9.261 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.196 10.342 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.700 8.648 -2.210 1.00 0.00 H new ATOM 658 N ARG A 42 -3.406 8.214 -6.038 1.00 0.00 N ATOM 659 CA ARG A 42 -2.918 8.601 -7.348 1.00 0.00 C ATOM 660 C ARG A 42 -1.727 7.741 -7.738 1.00 0.00 C ATOM 661 O ARG A 42 -1.081 7.130 -6.883 1.00 0.00 O ATOM 662 CB ARG A 42 -2.495 10.073 -7.328 1.00 0.00 C ATOM 663 CG ARG A 42 -2.398 10.731 -8.697 1.00 0.00 C ATOM 664 CD ARG A 42 -3.661 11.508 -9.040 1.00 0.00 C ATOM 665 NE ARG A 42 -4.827 10.646 -9.218 1.00 0.00 N ATOM 666 CZ ARG A 42 -6.031 10.902 -8.701 1.00 0.00 C ATOM 667 NH1 ARG A 42 -6.204 11.934 -7.879 1.00 0.00 N ATOM 668 NH2 ARG A 42 -7.054 10.111 -8.993 1.00 0.00 N ATOM 0 H ARG A 42 -2.698 7.819 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.717 8.459 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.208 10.632 -6.722 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.526 10.151 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.540 11.404 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.223 9.968 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.865 12.228 -8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.494 12.078 -9.954 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.714 9.796 -9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.414 12.534 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.126 12.125 -7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.920 9.310 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.976 10.303 -8.600 1.00 0.00 H new ATOM 682 N PHE A 43 -1.446 7.706 -9.025 1.00 0.00 N ATOM 683 CA PHE A 43 -0.263 7.032 -9.534 1.00 0.00 C ATOM 684 C PHE A 43 0.640 8.054 -10.202 1.00 0.00 C ATOM 685 O PHE A 43 0.172 9.104 -10.648 1.00 0.00 O ATOM 686 CB PHE A 43 -0.626 5.944 -10.554 1.00 0.00 C ATOM 687 CG PHE A 43 -1.464 4.820 -10.008 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.843 4.932 -9.940 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.869 3.647 -9.575 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.613 3.896 -9.449 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.633 2.608 -9.081 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.006 2.731 -9.017 1.00 0.00 C ATOM 0 H PHE A 43 -2.024 8.139 -9.745 1.00 0.00 H new ATOM 0 HA PHE A 43 0.244 6.556 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.161 6.407 -11.383 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.295 5.527 -10.962 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.322 5.840 -10.275 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.205 3.543 -9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.687 3.996 -9.402 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.156 1.699 -8.745 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.605 1.920 -8.631 1.00 0.00 H new ATOM 702 N ALA A 44 1.927 7.764 -10.253 1.00 0.00 N ATOM 703 CA ALA A 44 2.856 8.593 -11.000 1.00 0.00 C ATOM 704 C ALA A 44 2.690 8.321 -12.496 1.00 0.00 C ATOM 705 O ALA A 44 2.117 7.297 -12.873 1.00 0.00 O ATOM 706 CB ALA A 44 4.283 8.321 -10.549 1.00 0.00 C ATOM 0 H ALA A 44 2.353 6.963 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 44 2.641 9.645 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.970 8.949 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.378 8.547 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.525 7.272 -10.720 1.00 0.00 H new ATOM 712 N PRO A 45 3.197 9.213 -13.371 1.00 0.00 N ATOM 713 CA PRO A 45 3.024 9.093 -14.833 1.00 0.00 C ATOM 714 C PRO A 45 3.701 7.855 -15.429 1.00 0.00 C ATOM 715 O PRO A 45 3.717 7.673 -16.648 1.00 0.00 O ATOM 716 CB PRO A 45 3.684 10.358 -15.392 1.00 0.00 C ATOM 717 CG PRO A 45 3.835 11.283 -14.233 1.00 0.00 C ATOM 718 CD PRO A 45 3.968 10.417 -13.016 1.00 0.00 C ATOM 0 HA PRO A 45 1.969 8.988 -15.085 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.652 10.129 -15.839 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.070 10.807 -16.173 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.712 11.919 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.972 11.943 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.010 10.179 -12.804 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.565 10.905 -12.129 1.00 0.00 H new ATOM 726 N LEU A 46 4.243 7.003 -14.572 1.00 0.00 N ATOM 727 CA LEU A 46 4.956 5.817 -15.017 1.00 0.00 C ATOM 728 C LEU A 46 4.497 4.590 -14.235 1.00 0.00 C ATOM 729 O LEU A 46 5.144 3.544 -14.268 1.00 0.00 O ATOM 730 CB LEU A 46 6.465 6.012 -14.832 1.00 0.00 C ATOM 731 CG LEU A 46 7.073 7.194 -15.588 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.545 7.342 -15.242 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.897 7.018 -17.090 1.00 0.00 C ATOM 0 H LEU A 46 4.202 7.113 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 46 4.739 5.661 -16.074 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.670 6.139 -13.769 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.973 5.101 -15.148 1.00 0.00 H new ATOM 0 HG LEU A 46 6.550 8.101 -15.285 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.964 8.187 -15.788 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.652 7.513 -14.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.077 6.432 -15.519 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.336 7.869 -17.610 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.394 6.102 -17.410 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.835 6.957 -17.327 1.00 0.00 H new ATOM 745 N GLY A 47 3.376 4.727 -13.530 1.00 0.00 N ATOM 746 CA GLY A 47 2.833 3.612 -12.769 1.00 0.00 C ATOM 747 C GLY A 47 3.566 3.386 -11.463 1.00 0.00 C ATOM 748 O GLY A 47 3.250 2.466 -10.715 1.00 0.00 O ATOM 0 H GLY A 47 2.834 5.589 -13.472 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.779 3.797 -12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.885 2.706 -13.372 1.00 0.00 H new ATOM 752 N ASP A 48 4.538 4.243 -11.196 1.00 0.00 N ATOM 753 CA ASP A 48 5.352 4.159 -9.987 1.00 0.00 C ATOM 754 C ASP A 48 6.036 5.498 -9.757 1.00 0.00 C ATOM 755 O ASP A 48 6.547 6.100 -10.704 1.00 0.00 O ATOM 756 CB ASP A 48 6.408 3.050 -10.104 1.00 0.00 C ATOM 757 CG ASP A 48 7.288 2.942 -8.867 1.00 0.00 C ATOM 758 OD1 ASP A 48 6.871 2.290 -7.890 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.402 3.508 -8.864 1.00 0.00 O ATOM 0 H ASP A 48 4.788 5.018 -11.810 1.00 0.00 H new ATOM 0 HA ASP A 48 4.704 3.918 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.909 2.096 -10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.035 3.242 -10.975 1.00 0.00 H new ATOM 764 N PRO A 49 6.044 5.994 -8.512 1.00 0.00 N ATOM 765 CA PRO A 49 5.454 5.306 -7.364 1.00 0.00 C ATOM 766 C PRO A 49 3.936 5.477 -7.270 1.00 0.00 C ATOM 767 O PRO A 49 3.312 6.148 -8.096 1.00 0.00 O ATOM 768 CB PRO A 49 6.134 5.970 -6.156 1.00 0.00 C ATOM 769 CG PRO A 49 7.092 6.976 -6.710 1.00 0.00 C ATOM 770 CD PRO A 49 6.649 7.261 -8.113 1.00 0.00 C ATOM 0 HA PRO A 49 5.609 4.229 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.398 6.449 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.656 5.230 -5.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.088 7.886 -6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.111 6.589 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.935 8.084 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.486 7.532 -8.756 1.00 0.00 H new ATOM 778 N ILE A 50 3.360 4.855 -6.252 1.00 0.00 N ATOM 779 CA ILE A 50 1.930 4.921 -5.996 1.00 0.00 C ATOM 780 C ILE A 50 1.683 5.633 -4.670 1.00 0.00 C ATOM 781 O ILE A 50 2.414 5.423 -3.699 1.00 0.00 O ATOM 782 CB ILE A 50 1.307 3.505 -5.937 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.670 2.707 -7.194 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.208 3.588 -5.776 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.219 1.262 -7.147 1.00 0.00 C ATOM 0 H ILE A 50 3.874 4.288 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 50 1.462 5.471 -6.812 1.00 0.00 H new ATOM 0 HB ILE A 50 1.715 2.988 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.223 3.190 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.751 2.737 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.625 2.582 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.447 4.116 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.635 4.125 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.510 0.760 -8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.687 0.762 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.135 1.222 -7.039 1.00 0.00 H new ATOM 797 N GLU A 51 0.674 6.483 -4.634 1.00 0.00 N ATOM 798 CA GLU A 51 0.347 7.217 -3.425 1.00 0.00 C ATOM 799 C GLU A 51 -1.002 6.770 -2.885 1.00 0.00 C ATOM 800 O GLU A 51 -1.999 6.755 -3.611 1.00 0.00 O ATOM 801 CB GLU A 51 0.349 8.717 -3.712 1.00 0.00 C ATOM 802 CG GLU A 51 1.701 9.226 -4.183 1.00 0.00 C ATOM 803 CD GLU A 51 1.710 10.713 -4.442 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.418 11.124 -5.581 1.00 0.00 O ATOM 805 OE2 GLU A 51 2.020 11.480 -3.509 1.00 0.00 O ATOM 0 H GLU A 51 0.066 6.683 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 51 1.101 7.009 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.401 8.938 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.058 9.255 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.455 8.988 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.983 8.701 -5.096 1.00 0.00 H new ATOM 812 N VAL A 52 -1.027 6.390 -1.616 1.00 0.00 N ATOM 813 CA VAL A 52 -2.241 5.884 -0.991 1.00 0.00 C ATOM 814 C VAL A 52 -2.481 6.553 0.357 1.00 0.00 C ATOM 815 O VAL A 52 -1.551 7.065 0.985 1.00 0.00 O ATOM 816 CB VAL A 52 -2.184 4.350 -0.790 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.143 3.626 -2.128 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.985 3.962 0.067 1.00 0.00 C ATOM 0 H VAL A 52 -0.217 6.423 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.064 6.120 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.091 4.046 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.103 2.550 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.037 3.870 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.259 3.939 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.965 2.880 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.067 4.287 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.065 4.442 1.043 1.00 0.00 H new ATOM 828 N ASN A 53 -3.735 6.563 0.785 1.00 0.00 N ATOM 829 CA ASN A 53 -4.097 7.090 2.096 1.00 0.00 C ATOM 830 C ASN A 53 -4.431 5.940 3.038 1.00 0.00 C ATOM 831 O ASN A 53 -5.520 5.357 2.961 1.00 0.00 O ATOM 832 CB ASN A 53 -5.292 8.047 1.990 1.00 0.00 C ATOM 833 CG ASN A 53 -5.773 8.547 3.344 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.001 8.661 4.292 1.00 0.00 O ATOM 835 ND2 ASN A 53 -7.057 8.858 3.440 1.00 0.00 N ATOM 0 H ASN A 53 -4.523 6.211 0.242 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.248 7.648 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.014 8.900 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.113 7.540 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.433 9.205 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.670 8.751 2.632 1.00 0.00 H new ATOM 842 N CYS A 54 -3.492 5.601 3.905 1.00 0.00 N ATOM 843 CA CYS A 54 -3.679 4.501 4.838 1.00 0.00 C ATOM 844 C CYS A 54 -3.733 5.021 6.268 1.00 0.00 C ATOM 845 O CYS A 54 -2.821 5.715 6.711 1.00 0.00 O ATOM 846 CB CYS A 54 -2.552 3.473 4.689 1.00 0.00 C ATOM 847 SG CYS A 54 -2.724 2.038 5.771 1.00 0.00 S ATOM 0 H CYS A 54 -2.591 6.072 3.983 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.626 4.013 4.609 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.518 3.133 3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.599 3.960 4.896 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.982 2.199 6.827 1.00 0.00 H new ATOM 853 N ASN A 55 -4.823 4.703 6.972 1.00 0.00 N ATOM 854 CA ASN A 55 -4.998 5.098 8.377 1.00 0.00 C ATOM 855 C ASN A 55 -5.037 6.615 8.547 1.00 0.00 C ATOM 856 O ASN A 55 -4.829 7.128 9.646 1.00 0.00 O ATOM 857 CB ASN A 55 -3.889 4.507 9.255 1.00 0.00 C ATOM 858 CG ASN A 55 -4.261 3.154 9.833 1.00 0.00 C ATOM 859 OD1 ASN A 55 -4.875 3.065 10.899 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.886 2.088 9.145 1.00 0.00 N ATOM 0 H ASN A 55 -5.604 4.169 6.591 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.960 4.698 8.697 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.978 4.408 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.668 5.197 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.103 1.154 9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.379 2.200 8.267 1.00 0.00 H new ATOM 867 N GLY A 56 -5.330 7.328 7.467 1.00 0.00 N ATOM 868 CA GLY A 56 -5.364 8.775 7.526 1.00 0.00 C ATOM 869 C GLY A 56 -4.002 9.378 7.263 1.00 0.00 C ATOM 870 O GLY A 56 -3.754 10.547 7.571 1.00 0.00 O ATOM 0 H GLY A 56 -5.544 6.930 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.077 9.152 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.719 9.091 8.507 1.00 0.00 H new ATOM 874 N MET A 57 -3.112 8.569 6.712 1.00 0.00 N ATOM 875 CA MET A 57 -1.783 9.020 6.350 1.00 0.00 C ATOM 876 C MET A 57 -1.593 8.904 4.846 1.00 0.00 C ATOM 877 O MET A 57 -1.887 7.867 4.257 1.00 0.00 O ATOM 878 CB MET A 57 -0.720 8.201 7.089 1.00 0.00 C ATOM 879 CG MET A 57 0.658 8.843 7.077 1.00 0.00 C ATOM 880 SD MET A 57 1.903 7.860 7.940 1.00 0.00 S ATOM 881 CE MET A 57 1.089 7.585 9.514 1.00 0.00 C ATOM 0 H MET A 57 -3.291 7.586 6.505 1.00 0.00 H new ATOM 0 HA MET A 57 -1.672 10.064 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.036 8.058 8.122 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.655 7.212 6.636 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.974 8.993 6.045 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.597 9.829 7.539 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.821 7.248 10.248 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.634 8.515 9.856 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.317 6.825 9.396 1.00 0.00 H new ATOM 891 N LEU A 58 -1.137 9.979 4.222 1.00 0.00 N ATOM 892 CA LEU A 58 -0.872 9.965 2.794 1.00 0.00 C ATOM 893 C LEU A 58 0.596 9.669 2.542 1.00 0.00 C ATOM 894 O LEU A 58 1.455 10.541 2.687 1.00 0.00 O ATOM 895 CB LEU A 58 -1.271 11.289 2.135 1.00 0.00 C ATOM 896 CG LEU A 58 -2.777 11.562 2.070 1.00 0.00 C ATOM 897 CD1 LEU A 58 -3.327 11.985 3.424 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.066 12.618 1.024 1.00 0.00 C ATOM 0 H LEU A 58 -0.944 10.869 4.681 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.479 9.178 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.794 12.104 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.872 11.306 1.121 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.278 10.635 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.398 12.170 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.152 11.192 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.826 12.896 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.139 12.806 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.545 13.540 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.722 12.269 0.050 1.00 0.00 H new ATOM 910 N LEU A 59 0.878 8.440 2.163 1.00 0.00 N ATOM 911 CA LEU A 59 2.249 7.991 2.003 1.00 0.00 C ATOM 912 C LEU A 59 2.513 7.542 0.575 1.00 0.00 C ATOM 913 O LEU A 59 1.613 7.062 -0.120 1.00 0.00 O ATOM 914 CB LEU A 59 2.581 6.859 2.989 1.00 0.00 C ATOM 915 CG LEU A 59 1.506 5.786 3.171 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.149 4.440 3.463 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.567 6.174 4.306 1.00 0.00 C ATOM 0 H LEU A 59 0.174 7.730 1.959 1.00 0.00 H new ATOM 0 HA LEU A 59 2.899 8.838 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.498 6.373 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.791 7.303 3.962 1.00 0.00 H new ATOM 0 HG LEU A 59 0.932 5.706 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.372 3.686 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.796 4.158 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.740 4.510 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.195 5.404 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.135 6.272 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.088 7.125 4.073 1.00 0.00 H new ATOM 929 N THR A 60 3.750 7.713 0.144 1.00 0.00 N ATOM 930 CA THR A 60 4.165 7.330 -1.192 1.00 0.00 C ATOM 931 C THR A 60 4.993 6.051 -1.141 1.00 0.00 C ATOM 932 O THR A 60 5.952 5.954 -0.377 1.00 0.00 O ATOM 933 CB THR A 60 4.985 8.455 -1.854 1.00 0.00 C ATOM 934 OG1 THR A 60 4.229 9.673 -1.835 1.00 0.00 O ATOM 935 CG2 THR A 60 5.342 8.097 -3.291 1.00 0.00 C ATOM 0 H THR A 60 4.494 8.121 0.710 1.00 0.00 H new ATOM 0 HA THR A 60 3.269 7.154 -1.788 1.00 0.00 H new ATOM 0 HB THR A 60 5.910 8.584 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.751 10.389 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.920 8.907 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.933 7.181 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.428 7.946 -3.866 1.00 0.00 H new ATOM 943 N MET A 61 4.612 5.075 -1.947 1.00 0.00 N ATOM 944 CA MET A 61 5.274 3.781 -1.953 1.00 0.00 C ATOM 945 C MET A 61 5.449 3.272 -3.369 1.00 0.00 C ATOM 946 O MET A 61 4.916 3.844 -4.312 1.00 0.00 O ATOM 947 CB MET A 61 4.472 2.781 -1.122 1.00 0.00 C ATOM 948 CG MET A 61 2.975 2.869 -1.368 1.00 0.00 C ATOM 949 SD MET A 61 2.078 1.457 -0.713 1.00 0.00 S ATOM 950 CE MET A 61 2.623 0.191 -1.850 1.00 0.00 C ATOM 0 H MET A 61 3.842 5.155 -2.611 1.00 0.00 H new ATOM 0 HA MET A 61 6.264 3.896 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.813 1.771 -1.350 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.671 2.953 -0.064 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.590 3.781 -0.913 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.791 2.945 -2.440 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.759 -0.239 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.296 0.629 -2.587 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.147 -0.591 -1.300 1.00 0.00 H new ATOM 960 N ARG A 62 6.192 2.190 -3.511 1.00 0.00 N ATOM 961 CA ARG A 62 6.565 1.700 -4.824 1.00 0.00 C ATOM 962 C ARG A 62 5.614 0.615 -5.307 1.00 0.00 C ATOM 963 O ARG A 62 5.046 -0.132 -4.508 1.00 0.00 O ATOM 964 CB ARG A 62 7.995 1.166 -4.797 1.00 0.00 C ATOM 965 CG ARG A 62 9.001 2.160 -4.242 1.00 0.00 C ATOM 966 CD ARG A 62 8.822 3.537 -4.858 1.00 0.00 C ATOM 967 NE ARG A 62 9.925 4.432 -4.523 1.00 0.00 N ATOM 968 CZ ARG A 62 10.492 5.273 -5.391 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.084 5.313 -6.655 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.474 6.069 -4.998 1.00 0.00 N ATOM 0 H ARG A 62 6.549 1.634 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 62 6.502 2.535 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.024 0.257 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.290 0.888 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.889 2.227 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.012 1.802 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.747 3.443 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.884 3.971 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 62 10.284 4.414 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.333 4.698 -6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.522 5.958 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.798 6.040 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.907 6.711 -5.662 1.00 0.00 H new ATOM 984 N ARG A 63 5.448 0.539 -6.621 1.00 0.00 N ATOM 985 CA ARG A 63 4.615 -0.481 -7.232 1.00 0.00 C ATOM 986 C ARG A 63 5.164 -1.868 -6.928 1.00 0.00 C ATOM 987 O ARG A 63 4.413 -2.790 -6.632 1.00 0.00 O ATOM 988 CB ARG A 63 4.542 -0.298 -8.747 1.00 0.00 C ATOM 989 CG ARG A 63 3.785 -1.423 -9.430 1.00 0.00 C ATOM 990 CD ARG A 63 4.219 -1.620 -10.867 1.00 0.00 C ATOM 991 NE ARG A 63 3.859 -2.952 -11.347 1.00 0.00 N ATOM 992 CZ ARG A 63 4.142 -3.411 -12.561 1.00 0.00 C ATOM 993 NH1 ARG A 63 4.771 -2.638 -13.435 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.795 -4.644 -12.901 1.00 0.00 N ATOM 0 H ARG A 63 5.884 1.178 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 63 3.614 -0.381 -6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.057 0.652 -8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.552 -0.245 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.939 -2.349 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.717 -1.208 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.752 -0.864 -11.498 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.297 -1.480 -10.947 1.00 0.00 H new ATOM 0 HE ARG A 63 3.358 -3.570 -10.708 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.039 -1.688 -13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.987 -2.993 -14.367 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.311 -5.241 -12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.012 -4.996 -13.833 1.00 0.00 H new ATOM 1008 N ASN A 64 6.480 -2.001 -7.007 1.00 0.00 N ATOM 1009 CA ASN A 64 7.146 -3.277 -6.748 1.00 0.00 C ATOM 1010 C ASN A 64 6.880 -3.765 -5.328 1.00 0.00 C ATOM 1011 O ASN A 64 6.811 -4.967 -5.078 1.00 0.00 O ATOM 1012 CB ASN A 64 8.652 -3.163 -7.017 1.00 0.00 C ATOM 1013 CG ASN A 64 9.259 -1.887 -6.466 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.230 -0.845 -7.121 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.818 -1.952 -5.271 1.00 0.00 N ATOM 0 H ASN A 64 7.114 -1.239 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 64 6.730 -4.017 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.160 -4.020 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.828 -3.207 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.245 -1.121 -4.862 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.823 -2.833 -4.758 1.00 0.00 H new ATOM 1022 N GLU A 65 6.715 -2.830 -4.401 1.00 0.00 N ATOM 1023 CA GLU A 65 6.319 -3.180 -3.045 1.00 0.00 C ATOM 1024 C GLU A 65 4.834 -3.535 -3.018 1.00 0.00 C ATOM 1025 O GLU A 65 4.416 -4.468 -2.335 1.00 0.00 O ATOM 1026 CB GLU A 65 6.610 -2.031 -2.083 1.00 0.00 C ATOM 1027 CG GLU A 65 8.073 -1.633 -2.056 1.00 0.00 C ATOM 1028 CD GLU A 65 8.997 -2.816 -1.860 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.856 -3.526 -0.849 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.882 -3.031 -2.716 1.00 0.00 O ATOM 0 H GLU A 65 6.848 -1.832 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 65 6.899 -4.045 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.010 -1.167 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.299 -2.319 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.326 -1.131 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.235 -0.914 -1.253 1.00 0.00 H new ATOM 1037 N ALA A 66 4.051 -2.794 -3.797 1.00 0.00 N ATOM 1038 CA ALA A 66 2.608 -3.007 -3.898 1.00 0.00 C ATOM 1039 C ALA A 66 2.284 -4.365 -4.517 1.00 0.00 C ATOM 1040 O ALA A 66 1.202 -4.910 -4.303 1.00 0.00 O ATOM 1041 CB ALA A 66 1.970 -1.893 -4.709 1.00 0.00 C ATOM 0 H ALA A 66 4.397 -2.029 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 66 2.197 -2.996 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.895 -2.062 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.156 -0.936 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.400 -1.880 -5.711 1.00 0.00 H new ATOM 1047 N GLU A 67 3.207 -4.880 -5.319 1.00 0.00 N ATOM 1048 CA GLU A 67 3.086 -6.225 -5.867 1.00 0.00 C ATOM 1049 C GLU A 67 3.084 -7.244 -4.730 1.00 0.00 C ATOM 1050 O GLU A 67 2.248 -8.146 -4.683 1.00 0.00 O ATOM 1051 CB GLU A 67 4.249 -6.519 -6.818 1.00 0.00 C ATOM 1052 CG GLU A 67 4.343 -5.570 -8.003 1.00 0.00 C ATOM 1053 CD GLU A 67 3.484 -5.985 -9.180 1.00 0.00 C ATOM 1054 OE1 GLU A 67 3.474 -7.189 -9.517 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.831 -5.107 -9.787 1.00 0.00 O ATOM 0 H GLU A 67 4.051 -4.384 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 67 2.151 -6.296 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.182 -6.474 -6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.150 -7.538 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.048 -4.571 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.382 -5.507 -8.326 1.00 0.00 H new ATOM 1062 N GLY A 68 4.029 -7.086 -3.813 1.00 0.00 N ATOM 1063 CA GLY A 68 4.102 -7.957 -2.658 1.00 0.00 C ATOM 1064 C GLY A 68 2.918 -7.787 -1.726 1.00 0.00 C ATOM 1065 O GLY A 68 2.491 -8.735 -1.065 1.00 0.00 O ATOM 0 H GLY A 68 4.750 -6.366 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.152 -8.994 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.023 -7.753 -2.111 1.00 0.00 H new ATOM 1069 N ILE A 69 2.381 -6.579 -1.672 1.00 0.00 N ATOM 1070 CA ILE A 69 1.260 -6.280 -0.791 1.00 0.00 C ATOM 1071 C ILE A 69 -0.043 -6.840 -1.347 1.00 0.00 C ATOM 1072 O ILE A 69 -0.477 -6.483 -2.445 1.00 0.00 O ATOM 1073 CB ILE A 69 1.105 -4.762 -0.562 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.406 -4.178 -0.014 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.051 -4.483 0.390 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.376 -2.677 0.169 1.00 0.00 C ATOM 0 H ILE A 69 2.703 -5.787 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 69 1.477 -6.758 0.164 1.00 0.00 H new ATOM 0 HB ILE A 69 0.884 -4.284 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.627 -4.647 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.221 -4.435 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.147 -3.408 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.975 -4.873 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.141 -4.968 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.335 -2.339 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.187 -2.197 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.584 -2.412 0.869 1.00 0.00 H new ATOM 1088 N THR A 70 -0.658 -7.721 -0.581 1.00 0.00 N ATOM 1089 CA THR A 70 -1.939 -8.289 -0.936 1.00 0.00 C ATOM 1090 C THR A 70 -3.037 -7.644 -0.099 1.00 0.00 C ATOM 1091 O THR A 70 -2.959 -7.608 1.134 1.00 0.00 O ATOM 1092 CB THR A 70 -1.934 -9.817 -0.737 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.975 -10.411 -1.626 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.309 -10.416 -0.993 1.00 0.00 C ATOM 0 H THR A 70 -0.282 -8.061 0.304 1.00 0.00 H new ATOM 0 HA THR A 70 -2.132 -8.089 -1.990 1.00 0.00 H new ATOM 0 HB THR A 70 -1.664 -10.025 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.970 -11.383 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.269 -11.495 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.030 -9.980 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.614 -10.202 -2.017 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.040 -7.112 -0.778 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.107 -6.383 -0.122 1.00 0.00 C ATOM 1104 C VAL A 71 -6.449 -7.078 -0.312 1.00 0.00 C ATOM 1105 O VAL A 71 -6.637 -7.864 -1.244 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.213 -4.937 -0.655 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.906 -4.187 -0.440 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.609 -4.929 -2.127 1.00 0.00 C ATOM 0 H VAL A 71 -4.135 -7.174 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.861 -6.356 0.940 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.994 -4.424 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.002 -3.171 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.677 -4.154 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.102 -4.699 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.677 -3.900 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.858 -5.463 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.576 -5.418 -2.246 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.366 -6.783 0.588 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.729 -7.274 0.509 1.00 0.00 C ATOM 1120 C HIS A 72 -9.676 -6.084 0.393 1.00 0.00 C ATOM 1121 O HIS A 72 -9.652 -5.184 1.232 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.041 -8.110 1.757 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.455 -8.602 1.855 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -10.848 -9.784 1.277 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.512 -8.049 2.499 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.127 -9.924 1.582 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.573 -8.897 2.321 1.00 0.00 N ATOM 0 H HIS A 72 -7.186 -6.192 1.400 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.857 -7.909 -0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.371 -8.970 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.818 -7.512 2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.517 -7.118 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.737 -10.761 1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.519 -8.772 2.681 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.486 -6.078 -0.652 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.351 -4.942 -0.957 1.00 0.00 C ATOM 1137 C ILE A 73 -12.396 -4.708 0.129 1.00 0.00 C ATOM 1138 O ILE A 73 -13.086 -5.638 0.563 1.00 0.00 O ATOM 1139 CB ILE A 73 -12.044 -5.135 -2.326 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -11.007 -5.028 -3.443 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -13.160 -4.116 -2.531 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.377 -3.657 -3.544 1.00 0.00 C ATOM 0 H ILE A 73 -10.565 -6.852 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.714 -4.059 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.498 -6.126 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.225 -5.768 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.480 -5.274 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.627 -4.278 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.907 -4.231 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.745 -3.109 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.650 -3.649 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.150 -2.915 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.875 -3.417 -2.606 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.500 -3.456 0.567 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.489 -3.066 1.558 1.00 0.00 C ATOM 1156 C LEU A 74 -14.849 -2.905 0.902 1.00 0.00 C ATOM 1157 O LEU A 74 -15.306 -1.791 0.641 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.084 -1.766 2.253 1.00 0.00 C ATOM 1159 CG LEU A 74 -11.793 -1.837 3.064 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.475 -0.481 3.670 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -11.909 -2.901 4.143 1.00 0.00 C ATOM 0 H LEU A 74 -11.905 -2.692 0.246 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.546 -3.852 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.977 -0.987 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.894 -1.459 2.915 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.973 -2.112 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.552 -0.547 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.355 0.254 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.290 -0.175 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.982 -2.942 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.736 -2.655 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.093 -3.870 3.680 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.468 -4.037 0.613 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.753 -4.078 -0.057 1.00 0.00 C ATOM 1175 C ALA A 75 -17.298 -5.500 -0.010 1.00 0.00 C ATOM 1176 O ALA A 75 -16.676 -6.384 0.583 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.616 -3.597 -1.499 1.00 0.00 C ATOM 0 H ALA A 75 -15.090 -4.957 0.838 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.450 -3.413 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.589 -3.634 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.244 -2.572 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.917 -4.241 -2.032 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.453 -5.723 -0.614 1.00 0.00 N ATOM 1184 CA GLY A 76 -19.031 -7.053 -0.630 1.00 0.00 C ATOM 1185 C GLY A 76 -20.086 -7.236 0.438 1.00 0.00 C ATOM 1186 O GLY A 76 -21.052 -7.971 0.237 1.00 0.00 O ATOM 0 H GLY A 76 -19.002 -5.010 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.472 -7.243 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.242 -7.791 -0.487 1.00 0.00 H new ATOM 1190 N ASP A 77 -19.874 -6.589 1.584 1.00 0.00 N ATOM 1191 CA ASP A 77 -20.842 -6.571 2.691 1.00 0.00 C ATOM 1192 C ASP A 77 -20.951 -7.917 3.415 1.00 0.00 C ATOM 1193 O ASP A 77 -21.451 -7.976 4.539 1.00 0.00 O ATOM 1194 CB ASP A 77 -22.225 -6.107 2.213 1.00 0.00 C ATOM 1195 CG ASP A 77 -22.314 -4.600 2.070 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -21.927 -4.063 1.008 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -22.769 -3.938 3.026 1.00 0.00 O ATOM 0 H ASP A 77 -19.024 -6.059 1.776 1.00 0.00 H new ATOM 0 HA ASP A 77 -20.458 -5.852 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -22.450 -6.574 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -22.983 -6.447 2.919 1.00 0.00 H new ATOM 1202 N GLU A 78 -20.491 -8.994 2.784 1.00 0.00 N ATOM 1203 CA GLU A 78 -20.459 -10.304 3.435 1.00 0.00 C ATOM 1204 C GLU A 78 -19.452 -10.307 4.581 1.00 0.00 C ATOM 1205 O GLU A 78 -19.633 -11.003 5.579 1.00 0.00 O ATOM 1206 CB GLU A 78 -20.106 -11.408 2.433 1.00 0.00 C ATOM 1207 CG GLU A 78 -21.164 -11.629 1.364 1.00 0.00 C ATOM 1208 CD GLU A 78 -20.800 -12.748 0.406 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -19.934 -12.532 -0.466 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -21.371 -13.856 0.525 1.00 0.00 O ATOM 0 H GLU A 78 -20.137 -8.988 1.828 1.00 0.00 H new ATOM 0 HA GLU A 78 -21.454 -10.502 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -19.161 -11.158 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -19.950 -12.341 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -22.116 -11.860 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -21.306 -10.706 0.802 1.00 0.00 H new ATOM 1217 N GLY A 79 -18.387 -9.526 4.420 1.00 0.00 N ATOM 1218 CA GLY A 79 -17.399 -9.387 5.471 1.00 0.00 C ATOM 1219 C GLY A 79 -16.348 -10.477 5.432 1.00 0.00 C ATOM 1220 O GLY A 79 -15.519 -10.513 4.518 1.00 0.00 O ATOM 0 H GLY A 79 -18.192 -8.986 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.913 -8.416 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -17.899 -9.405 6.439 1.00 0.00 H new ATOM 1224 N HIS A 80 -16.402 -11.362 6.427 1.00 0.00 N ATOM 1225 CA HIS A 80 -15.443 -12.455 6.573 1.00 0.00 C ATOM 1226 C HIS A 80 -14.042 -11.917 6.858 1.00 0.00 C ATOM 1227 O HIS A 80 -13.247 -11.702 5.940 1.00 0.00 O ATOM 1228 CB HIS A 80 -15.423 -13.362 5.336 1.00 0.00 C ATOM 1229 CG HIS A 80 -16.691 -14.125 5.126 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -17.512 -13.874 4.056 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -17.219 -15.130 5.863 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -18.518 -14.727 4.163 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -18.383 -15.508 5.242 1.00 0.00 N ATOM 0 H HIS A 80 -17.115 -11.340 7.156 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.767 -13.056 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.226 -12.753 4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.597 -14.067 5.427 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.804 -15.553 6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.343 -14.786 3.468 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.022 -16.243 5.544 1.00 0.00 H new ATOM 1241 N PRO A 81 -13.736 -11.660 8.140 1.00 0.00 N ATOM 1242 CA PRO A 81 -12.421 -11.164 8.557 1.00 0.00 C ATOM 1243 C PRO A 81 -11.306 -12.140 8.196 1.00 0.00 C ATOM 1244 O PRO A 81 -11.390 -13.333 8.494 1.00 0.00 O ATOM 1245 CB PRO A 81 -12.544 -11.029 10.080 1.00 0.00 C ATOM 1246 CG PRO A 81 -14.008 -10.993 10.351 1.00 0.00 C ATOM 1247 CD PRO A 81 -14.644 -11.835 9.286 1.00 0.00 C ATOM 0 HA PRO A 81 -12.162 -10.228 8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.070 -11.868 10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.055 -10.122 10.436 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.231 -11.384 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.386 -9.971 10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.717 -12.880 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.655 -11.499 9.055 1.00 0.00 H new ATOM 1255 N HIS A 82 -10.270 -11.630 7.544 1.00 0.00 N ATOM 1256 CA HIS A 82 -9.143 -12.458 7.143 1.00 0.00 C ATOM 1257 C HIS A 82 -8.264 -12.745 8.354 1.00 0.00 C ATOM 1258 O HIS A 82 -7.311 -12.016 8.636 1.00 0.00 O ATOM 1259 CB HIS A 82 -8.337 -11.765 6.038 1.00 0.00 C ATOM 1260 CG HIS A 82 -7.427 -12.683 5.273 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -6.096 -12.817 5.591 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -7.704 -13.465 4.204 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -5.598 -13.667 4.710 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -6.535 -14.087 3.851 1.00 0.00 N ATOM 0 H HIS A 82 -10.187 -10.648 7.282 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.515 -13.403 6.746 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.029 -11.293 5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.741 -10.969 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.663 -13.578 3.721 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.566 -13.983 4.686 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -6.404 -14.744 3.082 1.00 0.00 H new ATOM 1272 N GLY A 83 -8.619 -13.781 9.090 1.00 0.00 N ATOM 1273 CA GLY A 83 -7.912 -14.105 10.308 1.00 0.00 C ATOM 1274 C GLY A 83 -8.815 -13.961 11.514 1.00 0.00 C ATOM 1275 O GLY A 83 -10.022 -13.770 11.364 1.00 0.00 O ATOM 0 H GLY A 83 -9.390 -14.409 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.534 -15.126 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.048 -13.450 10.416 1.00 0.00 H new ATOM 1279 N TRP A 84 -8.242 -14.043 12.702 1.00 0.00 N ATOM 1280 CA TRP A 84 -9.023 -13.947 13.924 1.00 0.00 C ATOM 1281 C TRP A 84 -8.809 -12.581 14.582 1.00 0.00 C ATOM 1282 O TRP A 84 -7.694 -12.050 14.569 1.00 0.00 O ATOM 1283 CB TRP A 84 -8.607 -15.087 14.866 1.00 0.00 C ATOM 1284 CG TRP A 84 -9.420 -15.194 16.120 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -9.013 -14.899 17.385 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -10.776 -15.636 16.228 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -10.033 -15.123 18.275 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -11.128 -15.575 17.589 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -11.727 -16.077 15.305 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -12.390 -15.938 18.048 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -12.979 -16.432 15.761 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -13.302 -16.361 17.120 1.00 0.00 C ATOM 0 H TRP A 84 -7.241 -14.176 12.847 1.00 0.00 H new ATOM 0 HA TRP A 84 -10.085 -14.041 13.698 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -8.675 -16.030 14.324 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -7.561 -14.951 15.139 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.029 -14.540 17.650 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -9.983 -14.977 19.283 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -11.486 -16.139 14.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -12.640 -15.888 19.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -13.724 -16.771 15.056 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -14.292 -16.646 17.444 1.00 0.00 H new ATOM 1303 N PRO A 85 -9.873 -11.989 15.151 1.00 0.00 N ATOM 1304 CA PRO A 85 -9.780 -10.725 15.883 1.00 0.00 C ATOM 1305 C PRO A 85 -9.216 -10.910 17.288 1.00 0.00 C ATOM 1306 O PRO A 85 -9.500 -11.902 17.963 1.00 0.00 O ATOM 1307 CB PRO A 85 -11.232 -10.251 15.948 1.00 0.00 C ATOM 1308 CG PRO A 85 -12.039 -11.503 15.922 1.00 0.00 C ATOM 1309 CD PRO A 85 -11.263 -12.483 15.080 1.00 0.00 C ATOM 0 HA PRO A 85 -9.106 -10.019 15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -11.421 -9.677 16.855 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.476 -9.605 15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.191 -11.890 16.930 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.027 -11.321 15.498 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.347 -13.498 15.469 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.628 -12.504 14.053 1.00 0.00 H new ATOM 1317 N GLY A 86 -8.425 -9.948 17.728 1.00 0.00 N ATOM 1318 CA GLY A 86 -7.792 -10.048 19.023 1.00 0.00 C ATOM 1319 C GLY A 86 -6.287 -10.000 18.907 1.00 0.00 C ATOM 1320 O GLY A 86 -5.586 -10.861 19.441 1.00 0.00 O ATOM 0 H GLY A 86 -8.209 -9.096 17.210 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.135 -9.234 19.661 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.092 -10.979 19.505 1.00 0.00 H new ATOM 1324 N PHE A 87 -5.797 -9.003 18.189 1.00 0.00 N ATOM 1325 CA PHE A 87 -4.370 -8.830 17.987 1.00 0.00 C ATOM 1326 C PHE A 87 -3.977 -7.381 18.247 1.00 0.00 C ATOM 1327 O PHE A 87 -4.247 -6.495 17.437 1.00 0.00 O ATOM 1328 CB PHE A 87 -3.981 -9.245 16.563 1.00 0.00 C ATOM 1329 CG PHE A 87 -2.516 -9.074 16.253 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.572 -9.933 16.794 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -2.086 -8.054 15.418 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -0.228 -9.777 16.511 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -0.744 -7.894 15.131 1.00 0.00 C ATOM 1334 CZ PHE A 87 0.187 -8.755 15.678 1.00 0.00 C ATOM 0 H PHE A 87 -6.373 -8.296 17.733 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.834 -9.468 18.690 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.254 -10.289 16.413 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.563 -8.658 15.853 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.891 -10.734 17.445 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.808 -7.377 14.987 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.497 -10.453 16.940 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.423 -7.095 14.479 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.236 -8.630 15.456 1.00 0.00 H new ATOM 1344 N ARG A 88 -3.372 -7.148 19.398 1.00 0.00 N ATOM 1345 CA ARG A 88 -2.894 -5.825 19.766 1.00 0.00 C ATOM 1346 C ARG A 88 -1.743 -5.960 20.750 1.00 0.00 C ATOM 1347 O ARG A 88 -1.849 -6.674 21.749 1.00 0.00 O ATOM 1348 CB ARG A 88 -4.029 -4.984 20.366 1.00 0.00 C ATOM 1349 CG ARG A 88 -4.646 -5.577 21.626 1.00 0.00 C ATOM 1350 CD ARG A 88 -5.794 -4.724 22.140 1.00 0.00 C ATOM 1351 NE ARG A 88 -6.940 -4.736 21.233 1.00 0.00 N ATOM 1352 CZ ARG A 88 -7.799 -3.728 21.092 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -7.633 -2.605 21.782 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -8.828 -3.854 20.265 1.00 0.00 N ATOM 0 H ARG A 88 -3.198 -7.866 20.102 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.540 -5.312 18.872 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.647 -3.989 20.595 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.810 -4.860 19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.006 -6.584 21.417 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.883 -5.665 22.399 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.104 -5.088 23.120 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.450 -3.698 22.275 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.092 -5.573 20.670 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.845 -2.512 22.423 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.293 -1.836 21.671 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.958 -4.719 19.741 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.489 -3.085 20.153 1.00 0.00 H new ATOM 1368 N ARG A 89 -0.636 -5.300 20.467 1.00 0.00 N ATOM 1369 CA ARG A 89 0.536 -5.421 21.311 1.00 0.00 C ATOM 1370 C ARG A 89 1.396 -4.164 21.259 1.00 0.00 C ATOM 1371 O ARG A 89 2.225 -3.986 20.367 1.00 0.00 O ATOM 1372 CB ARG A 89 1.350 -6.668 20.930 1.00 0.00 C ATOM 1373 CG ARG A 89 1.715 -6.754 19.454 1.00 0.00 C ATOM 1374 CD ARG A 89 2.304 -8.112 19.100 1.00 0.00 C ATOM 1375 NE ARG A 89 3.467 -8.455 19.923 1.00 0.00 N ATOM 1376 CZ ARG A 89 4.541 -9.098 19.462 1.00 0.00 C ATOM 1377 NH1 ARG A 89 4.629 -9.405 18.174 1.00 0.00 N ATOM 1378 NH2 ARG A 89 5.528 -9.427 20.291 1.00 0.00 N ATOM 0 H ARG A 89 -0.524 -4.679 19.665 1.00 0.00 H new ATOM 0 HA ARG A 89 0.196 -5.537 22.340 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.266 -6.683 21.520 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.780 -7.556 21.203 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.827 -6.573 18.848 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.433 -5.971 19.210 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.539 -8.879 19.222 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.594 -8.115 18.049 1.00 0.00 H new ATOM 0 HE ARG A 89 3.455 -8.186 20.907 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.875 -9.149 17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.450 -9.897 17.822 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.464 -9.188 21.280 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.349 -9.919 19.937 1.00 0.00 H new ATOM 1392 N ARG A 90 1.162 -3.278 22.210 1.00 0.00 N ATOM 1393 CA ARG A 90 1.999 -2.112 22.393 1.00 0.00 C ATOM 1394 C ARG A 90 2.534 -2.143 23.817 1.00 0.00 C ATOM 1395 O ARG A 90 1.892 -1.655 24.748 1.00 0.00 O ATOM 1396 CB ARG A 90 1.214 -0.819 22.115 1.00 0.00 C ATOM 1397 CG ARG A 90 2.101 0.393 21.853 1.00 0.00 C ATOM 1398 CD ARG A 90 2.735 0.930 23.126 1.00 0.00 C ATOM 1399 NE ARG A 90 3.869 1.807 22.848 1.00 0.00 N ATOM 1400 CZ ARG A 90 4.546 2.466 23.785 1.00 0.00 C ATOM 1401 NH1 ARG A 90 4.134 2.445 25.046 1.00 0.00 N ATOM 1402 NH2 ARG A 90 5.610 3.183 23.452 1.00 0.00 N ATOM 0 H ARG A 90 0.390 -3.348 22.873 1.00 0.00 H new ATOM 0 HA ARG A 90 2.828 -2.128 21.686 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.566 -0.976 21.253 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.567 -0.607 22.966 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.885 0.121 21.146 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.509 1.179 21.385 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.987 1.477 23.700 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.066 0.096 23.745 1.00 0.00 H new ATOM 0 HE ARG A 90 4.160 1.921 21.877 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.296 1.922 25.300 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.656 2.951 25.761 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.909 3.229 22.478 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.129 3.688 24.170 1.00 0.00 H new ATOM 1416 N HIS A 91 3.693 -2.752 23.988 1.00 0.00 N ATOM 1417 CA HIS A 91 4.221 -2.995 25.317 1.00 0.00 C ATOM 1418 C HIS A 91 5.582 -2.340 25.495 1.00 0.00 C ATOM 1419 O HIS A 91 6.613 -2.908 25.136 1.00 0.00 O ATOM 1420 CB HIS A 91 4.314 -4.501 25.581 1.00 0.00 C ATOM 1421 CG HIS A 91 4.601 -4.851 27.009 1.00 0.00 C ATOM 1422 ND1 HIS A 91 3.588 -5.087 27.900 1.00 0.00 N ATOM 1423 CD2 HIS A 91 5.790 -4.987 27.644 1.00 0.00 C ATOM 1424 CE1 HIS A 91 4.175 -5.360 29.054 1.00 0.00 C ATOM 1425 NE2 HIS A 91 5.509 -5.313 28.948 1.00 0.00 N ATOM 0 H HIS A 91 4.284 -3.086 23.227 1.00 0.00 H new ATOM 0 HA HIS A 91 3.538 -2.550 26.041 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.376 -4.971 25.284 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.096 -4.923 24.950 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.770 -4.863 27.208 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.645 -5.591 29.966 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.185 -5.486 29.692 1.00 0.00 H new ATOM 1433 N ARG A 92 5.570 -1.128 26.023 1.00 0.00 N ATOM 1434 CA ARG A 92 6.792 -0.450 26.410 1.00 0.00 C ATOM 1435 C ARG A 92 6.473 0.578 27.481 1.00 0.00 C ATOM 1436 O ARG A 92 6.260 1.757 27.191 1.00 0.00 O ATOM 1437 CB ARG A 92 7.484 0.215 25.215 1.00 0.00 C ATOM 1438 CG ARG A 92 8.883 0.716 25.541 1.00 0.00 C ATOM 1439 CD ARG A 92 9.616 1.204 24.303 1.00 0.00 C ATOM 1440 NE ARG A 92 9.092 2.475 23.802 1.00 0.00 N ATOM 1441 CZ ARG A 92 9.537 3.068 22.693 1.00 0.00 C ATOM 1442 NH1 ARG A 92 10.477 2.487 21.960 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.044 4.241 22.315 1.00 0.00 N ATOM 0 H ARG A 92 4.720 -0.591 26.194 1.00 0.00 H new ATOM 0 HA ARG A 92 7.486 -1.193 26.804 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.542 -0.498 24.393 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.876 1.051 24.869 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.818 1.527 26.267 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.455 -0.085 26.009 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.675 1.318 24.534 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.540 0.450 23.520 1.00 0.00 H new ATOM 0 HE ARG A 92 8.347 2.932 24.328 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.861 1.586 22.244 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.816 2.942 21.112 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.321 4.694 22.874 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.388 4.689 21.466 1.00 0.00 H new ATOM 1457 N PHE A 93 6.390 0.105 28.712 1.00 0.00 N ATOM 1458 CA PHE A 93 6.070 0.955 29.842 1.00 0.00 C ATOM 1459 C PHE A 93 7.335 1.230 30.636 1.00 0.00 C ATOM 1460 O PHE A 93 8.130 0.318 30.879 1.00 0.00 O ATOM 1461 CB PHE A 93 5.020 0.285 30.734 1.00 0.00 C ATOM 1462 CG PHE A 93 3.783 -0.149 29.992 1.00 0.00 C ATOM 1463 CD1 PHE A 93 2.726 0.726 29.807 1.00 0.00 C ATOM 1464 CD2 PHE A 93 3.681 -1.434 29.479 1.00 0.00 C ATOM 1465 CE1 PHE A 93 1.592 0.331 29.125 1.00 0.00 C ATOM 1466 CE2 PHE A 93 2.549 -1.836 28.795 1.00 0.00 C ATOM 1467 CZ PHE A 93 1.502 -0.952 28.618 1.00 0.00 C ATOM 0 H PHE A 93 6.542 -0.874 28.954 1.00 0.00 H new ATOM 0 HA PHE A 93 5.658 1.896 29.478 1.00 0.00 H new ATOM 0 HB2 PHE A 93 5.467 -0.584 31.216 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.734 0.977 31.526 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.789 1.730 30.201 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.496 -2.129 29.616 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.775 1.024 28.988 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.483 -2.839 28.400 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.616 -1.263 28.085 1.00 0.00 H new ATOM 1477 N GLY A 94 7.537 2.479 31.016 1.00 0.00 N ATOM 1478 CA GLY A 94 8.747 2.836 31.718 1.00 0.00 C ATOM 1479 C GLY A 94 8.475 3.348 33.114 1.00 0.00 C ATOM 1480 O GLY A 94 8.672 2.631 34.097 1.00 0.00 O ATOM 0 H GLY A 94 6.888 3.249 30.852 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.401 1.966 31.774 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.280 3.599 31.152 1.00 0.00 H new ATOM 1484 N LYS A 95 8.020 4.587 33.197 1.00 0.00 N ATOM 1485 CA LYS A 95 7.800 5.240 34.479 1.00 0.00 C ATOM 1486 C LYS A 95 6.513 4.765 35.144 1.00 0.00 C ATOM 1487 O LYS A 95 5.483 4.583 34.492 1.00 0.00 O ATOM 1488 CB LYS A 95 7.769 6.758 34.299 1.00 0.00 C ATOM 1489 CG LYS A 95 6.744 7.234 33.280 1.00 0.00 C ATOM 1490 CD LYS A 95 6.748 8.745 33.153 1.00 0.00 C ATOM 1491 CE LYS A 95 6.293 9.415 34.440 1.00 0.00 C ATOM 1492 NZ LYS A 95 6.338 10.893 34.339 1.00 0.00 N ATOM 0 H LYS A 95 7.794 5.165 32.387 1.00 0.00 H new ATOM 0 HA LYS A 95 8.629 4.970 35.133 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.555 7.224 35.261 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.758 7.099 33.992 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.958 6.786 32.310 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.751 6.895 33.575 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.751 9.087 32.899 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.093 9.044 32.335 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.277 9.098 34.675 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.928 9.088 35.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.020 11.312 35.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.312 11.198 34.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.713 11.208 33.570 1.00 0.00 H new ATOM 1506 N ARG A 96 6.594 4.559 36.449 1.00 0.00 N ATOM 1507 CA ARG A 96 5.433 4.207 37.257 1.00 0.00 C ATOM 1508 C ARG A 96 5.603 4.720 38.684 1.00 0.00 C ATOM 1509 O ARG A 96 4.649 4.748 39.464 1.00 0.00 O ATOM 1510 CB ARG A 96 5.187 2.693 37.241 1.00 0.00 C ATOM 1511 CG ARG A 96 6.413 1.853 37.555 1.00 0.00 C ATOM 1512 CD ARG A 96 6.077 0.373 37.515 1.00 0.00 C ATOM 1513 NE ARG A 96 7.249 -0.471 37.740 1.00 0.00 N ATOM 1514 CZ ARG A 96 7.257 -1.790 37.556 1.00 0.00 C ATOM 1515 NH1 ARG A 96 6.157 -2.417 37.158 1.00 0.00 N ATOM 1516 NH2 ARG A 96 8.363 -2.481 37.780 1.00 0.00 N ATOM 0 H ARG A 96 7.463 4.630 36.978 1.00 0.00 H new ATOM 0 HA ARG A 96 4.556 4.687 36.823 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.406 2.457 37.963 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.809 2.409 36.259 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.203 2.071 36.836 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.798 2.117 38.540 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.324 0.154 38.272 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.637 0.129 36.548 1.00 0.00 H new ATOM 0 HE ARG A 96 8.110 -0.024 38.056 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.301 -1.889 36.992 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.168 -3.427 37.018 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.208 -2.003 38.093 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.370 -3.491 37.639 1.00 0.00 H new ATOM 1530 N ALA A 97 6.824 5.128 39.017 1.00 0.00 N ATOM 1531 CA ALA A 97 7.088 5.786 40.284 1.00 0.00 C ATOM 1532 C ALA A 97 6.864 7.283 40.127 1.00 0.00 C ATOM 1533 O ALA A 97 7.734 8.008 39.637 1.00 0.00 O ATOM 1534 CB ALA A 97 8.505 5.500 40.759 1.00 0.00 C ATOM 0 H ALA A 97 7.645 5.012 38.423 1.00 0.00 H new ATOM 0 HA ALA A 97 6.404 5.397 41.038 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.679 6.004 41.710 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.635 4.426 40.888 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.217 5.865 40.019 1.00 0.00 H new ATOM 1540 N LEU A 98 5.688 7.735 40.528 1.00 0.00 N ATOM 1541 CA LEU A 98 5.266 9.103 40.291 1.00 0.00 C ATOM 1542 C LEU A 98 5.461 9.953 41.537 1.00 0.00 C ATOM 1543 O LEU A 98 4.877 11.034 41.652 1.00 0.00 O ATOM 1544 CB LEU A 98 3.795 9.120 39.870 1.00 0.00 C ATOM 1545 CG LEU A 98 3.452 8.222 38.677 1.00 0.00 C ATOM 1546 CD1 LEU A 98 1.952 8.212 38.429 1.00 0.00 C ATOM 1547 CD2 LEU A 98 4.192 8.678 37.427 1.00 0.00 C ATOM 0 H LEU A 98 5.002 7.166 41.025 1.00 0.00 H new ATOM 0 HA LEU A 98 5.878 9.523 39.493 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.186 8.816 40.721 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.514 10.145 39.627 1.00 0.00 H new ATOM 0 HG LEU A 98 3.771 7.207 38.914 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.728 7.569 37.578 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.439 7.835 39.314 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.611 9.226 38.217 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.933 8.026 36.593 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.907 9.703 37.189 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.267 8.632 37.603 1.00 0.00 H new ATOM 1559 N GLU A 99 6.282 9.451 42.464 1.00 0.00 N ATOM 1560 CA GLU A 99 6.579 10.146 43.719 1.00 0.00 C ATOM 1561 C GLU A 99 5.343 10.209 44.610 1.00 0.00 C ATOM 1562 O GLU A 99 4.288 9.662 44.278 1.00 0.00 O ATOM 1563 CB GLU A 99 7.089 11.572 43.464 1.00 0.00 C ATOM 1564 CG GLU A 99 8.388 11.645 42.684 1.00 0.00 C ATOM 1565 CD GLU A 99 8.799 13.074 42.392 1.00 0.00 C ATOM 1566 OE1 GLU A 99 9.439 13.704 43.258 1.00 0.00 O ATOM 1567 OE2 GLU A 99 8.485 13.576 41.292 1.00 0.00 O ATOM 0 H GLU A 99 6.758 8.554 42.366 1.00 0.00 H new ATOM 0 HA GLU A 99 7.361 9.577 44.222 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.323 12.127 42.922 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.227 12.072 44.423 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.178 11.150 43.249 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.278 11.101 41.746 1.00 0.00 H new ATOM 1574 N HIS A 100 5.483 10.869 45.744 1.00 0.00 N ATOM 1575 CA HIS A 100 4.352 11.151 46.606 1.00 0.00 C ATOM 1576 C HIS A 100 4.256 12.656 46.802 1.00 0.00 C ATOM 1577 O HIS A 100 4.594 13.188 47.858 1.00 0.00 O ATOM 1578 CB HIS A 100 4.485 10.424 47.949 1.00 0.00 C ATOM 1579 CG HIS A 100 3.256 10.506 48.806 1.00 0.00 C ATOM 1580 ND1 HIS A 100 3.322 10.901 50.120 1.00 0.00 N ATOM 1581 CD2 HIS A 100 1.965 10.230 48.491 1.00 0.00 C ATOM 1582 CE1 HIS A 100 2.079 10.857 50.574 1.00 0.00 C ATOM 1583 NE2 HIS A 100 1.225 10.456 49.624 1.00 0.00 N ATOM 0 H HIS A 100 6.375 11.222 46.091 1.00 0.00 H new ATOM 0 HA HIS A 100 3.437 10.786 46.139 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.717 9.375 47.763 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.328 10.845 48.497 1.00 0.00 H new ATOM 0 HD2 HIS A 100 1.592 9.897 47.534 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.790 11.112 51.583 1.00 0.00 H new ATOM 0 HE2 HIS A 100 0.216 10.341 49.724 1.00 0.00 H new ATOM 1591 N HIS A 101 3.846 13.340 45.746 1.00 0.00 N ATOM 1592 CA HIS A 101 3.759 14.789 45.758 1.00 0.00 C ATOM 1593 C HIS A 101 2.318 15.216 46.004 1.00 0.00 C ATOM 1594 O HIS A 101 1.468 15.133 45.110 1.00 0.00 O ATOM 1595 CB HIS A 101 4.283 15.353 44.433 1.00 0.00 C ATOM 1596 CG HIS A 101 4.440 16.840 44.419 1.00 0.00 C ATOM 1597 ND1 HIS A 101 3.687 17.630 43.587 1.00 0.00 N ATOM 1598 CD2 HIS A 101 5.291 17.622 45.124 1.00 0.00 C ATOM 1599 CE1 HIS A 101 4.094 18.868 43.801 1.00 0.00 C ATOM 1600 NE2 HIS A 101 5.065 18.912 44.724 1.00 0.00 N ATOM 0 H HIS A 101 3.567 12.910 44.864 1.00 0.00 H new ATOM 0 HA HIS A 101 4.376 15.185 46.564 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.247 14.895 44.212 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.602 15.063 43.633 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.009 17.292 45.860 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.695 19.735 43.296 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.544 19.746 45.063 1.00 0.00 H new ATOM 1608 N HIS A 102 2.045 15.643 47.224 1.00 0.00 N ATOM 1609 CA HIS A 102 0.704 16.025 47.623 1.00 0.00 C ATOM 1610 C HIS A 102 0.769 17.030 48.766 1.00 0.00 C ATOM 1611 O HIS A 102 1.011 16.667 49.922 1.00 0.00 O ATOM 1612 CB HIS A 102 -0.089 14.778 48.037 1.00 0.00 C ATOM 1613 CG HIS A 102 -1.549 15.027 48.259 1.00 0.00 C ATOM 1614 ND1 HIS A 102 -2.470 14.834 47.255 1.00 0.00 N ATOM 1615 CD2 HIS A 102 -2.192 15.438 49.377 1.00 0.00 C ATOM 1616 CE1 HIS A 102 -3.645 15.128 47.786 1.00 0.00 C ATOM 1617 NE2 HIS A 102 -3.524 15.500 49.067 1.00 0.00 N ATOM 0 H HIS A 102 2.743 15.734 47.962 1.00 0.00 H new ATOM 0 HA HIS A 102 0.195 16.495 46.782 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.025 14.016 47.266 1.00 0.00 H new ATOM 0 HB3 HIS A 102 0.343 14.373 48.952 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -1.741 15.672 50.330 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.583 15.075 47.254 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.281 15.777 49.693 1.00 0.00 H new ATOM 1625 N HIS A 103 0.575 18.293 48.435 1.00 0.00 N ATOM 1626 CA HIS A 103 0.629 19.363 49.421 1.00 0.00 C ATOM 1627 C HIS A 103 -0.414 20.426 49.097 1.00 0.00 C ATOM 1628 O HIS A 103 -0.522 20.880 47.952 1.00 0.00 O ATOM 1629 CB HIS A 103 2.038 19.986 49.479 1.00 0.00 C ATOM 1630 CG HIS A 103 2.451 20.711 48.229 1.00 0.00 C ATOM 1631 ND1 HIS A 103 2.640 22.072 48.217 1.00 0.00 N ATOM 1632 CD2 HIS A 103 2.681 20.224 46.988 1.00 0.00 C ATOM 1633 CE1 HIS A 103 2.979 22.377 46.977 1.00 0.00 C ATOM 1634 NE2 HIS A 103 3.015 21.292 46.195 1.00 0.00 N ATOM 0 H HIS A 103 0.377 18.607 47.485 1.00 0.00 H new ATOM 0 HA HIS A 103 0.408 18.941 50.401 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.080 20.681 50.318 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.762 19.197 49.682 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.614 19.191 46.680 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.200 23.378 46.637 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.246 21.264 45.202 1.00 0.00 H new ATOM 1642 N HIS A 104 -1.195 20.801 50.093 1.00 0.00 N ATOM 1643 CA HIS A 104 -2.209 21.832 49.928 1.00 0.00 C ATOM 1644 C HIS A 104 -2.679 22.338 51.286 1.00 0.00 C ATOM 1645 O HIS A 104 -2.805 21.570 52.242 1.00 0.00 O ATOM 1646 CB HIS A 104 -3.403 21.306 49.112 1.00 0.00 C ATOM 1647 CG HIS A 104 -4.144 20.171 49.758 1.00 0.00 C ATOM 1648 ND1 HIS A 104 -5.288 20.389 50.486 1.00 0.00 N ATOM 1649 CD2 HIS A 104 -3.870 18.845 49.750 1.00 0.00 C ATOM 1650 CE1 HIS A 104 -5.683 19.200 50.904 1.00 0.00 C ATOM 1651 NE2 HIS A 104 -4.856 18.237 50.483 1.00 0.00 N ATOM 0 H HIS A 104 -1.148 20.405 51.032 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.761 22.661 49.380 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -4.099 22.127 48.939 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.045 20.981 48.135 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -5.740 21.285 50.667 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -3.037 18.361 49.262 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.561 19.028 51.508 1.00 0.00 H new ATOM 1659 N HIS A 105 -2.921 23.630 51.367 1.00 0.00 N ATOM 1660 CA HIS A 105 -3.443 24.233 52.576 1.00 0.00 C ATOM 1661 C HIS A 105 -4.378 25.377 52.210 1.00 0.00 C ATOM 1662 O HIS A 105 -5.607 25.157 52.230 1.00 0.00 O ATOM 1663 CB HIS A 105 -2.309 24.694 53.516 1.00 0.00 C ATOM 1664 CG HIS A 105 -1.319 25.657 52.921 1.00 0.00 C ATOM 1665 ND1 HIS A 105 -1.116 26.898 53.475 1.00 0.00 N ATOM 1666 CD2 HIS A 105 -0.490 25.512 51.857 1.00 0.00 C ATOM 1667 CE1 HIS A 105 -0.177 27.474 52.746 1.00 0.00 C ATOM 1668 NE2 HIS A 105 0.232 26.672 51.753 1.00 0.00 N ATOM 1669 OXT HIS A 105 -3.893 26.465 51.838 1.00 0.00 O ATOM 0 H HIS A 105 -2.763 24.287 50.603 1.00 0.00 H new ATOM 0 HA HIS A 105 -4.011 23.484 53.127 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -2.757 25.159 54.395 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.768 23.813 53.862 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.414 24.647 51.214 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.212 28.465 52.927 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.944 26.884 51.054 1.00 0.00 H new TER 1677 HIS A 105