USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 62 THR OG1 : rot -70:sc= 2.13 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -104:sc= 0.776 (180deg=-1.14) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.974 K(o=2.2,f=-6.7!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.101 K(o=-0.2,f=-6.4!) USER MOD Set 3.2: A 26 THR OG1 : rot -170:sc= -0.098 USER MOD Set 4.1: A 2 TYR OH : rot -43:sc= 1.19 USER MOD Set 4.2: A 6 SER OG : rot -27:sc= 0.453 USER MOD Set 5.1: A 4 CYS SG : rot 180:sc= 0.139 USER MOD Set 5.2: A 67 GLN : amide:sc= 0.602 K(o=0.74,f=-4.4!) USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.06) USER MOD Single : A 12 GLN : amide:sc= 1.06 K(o=1.1,f=-6.3!) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.157) USER MOD Single : A 17 MET CE :methyl -167:sc= -0.192 (180deg=-0.695) USER MOD Single : A 21 GLN : amide:sc= 1.03 K(o=1,f=-0.0042) USER MOD Single : A 28 THR OG1 : rot 95:sc= 1.1 USER MOD Single : A 29 GLN : amide:sc= 1.18 K(o=1.2,f=-0.024) USER MOD Single : A 32 SER OG : rot -68:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= 1.26 (180deg=0.442) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -0.0618 (180deg=-0.489) USER MOD Single : A 49 MET CE :methyl 174:sc= -0.0978 (180deg=-0.236) USER MOD Single : A 51 SER OG : rot -36:sc= 0.00228 USER MOD Single : A 57 SER OG : rot 164:sc= 1.09 USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= 1.16 (180deg=-0.391) USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00826) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.074 -2.814 7.238 1.00 0.00 N ATOM 11 CA TYR A 2 -13.766 -2.750 7.924 1.00 0.00 C ATOM 12 C TYR A 2 -12.594 -2.429 6.990 1.00 0.00 C ATOM 13 O TYR A 2 -11.801 -1.546 7.304 1.00 0.00 O ATOM 14 CB TYR A 2 -13.533 -3.993 8.811 1.00 0.00 C ATOM 15 CG TYR A 2 -12.236 -3.960 9.602 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.952 -2.860 10.435 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.290 -4.998 9.471 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.697 -2.752 11.053 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.036 -4.901 10.105 1.00 0.00 C ATOM 20 CZ TYR A 2 -9.718 -3.751 10.860 1.00 0.00 C ATOM 21 OH TYR A 2 -8.443 -3.522 11.272 1.00 0.00 O ATOM 0 HA TYR A 2 -13.807 -1.892 8.595 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.367 -4.091 9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.538 -4.882 8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.701 -2.099 10.598 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.528 -5.871 8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.479 -1.900 11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.320 -5.704 10.014 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.178 -2.611 11.026 1.00 0.00 H new ATOM 31 N PHE A 3 -12.556 -3.028 5.800 1.00 0.00 N ATOM 32 CA PHE A 3 -11.540 -2.859 4.774 1.00 0.00 C ATOM 33 C PHE A 3 -11.075 -1.416 4.567 1.00 0.00 C ATOM 34 O PHE A 3 -9.885 -1.234 4.331 1.00 0.00 O ATOM 35 CB PHE A 3 -12.073 -3.387 3.440 1.00 0.00 C ATOM 36 CG PHE A 3 -12.042 -4.873 3.153 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.958 -5.846 4.168 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.101 -5.274 1.804 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.911 -7.208 3.825 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.043 -6.633 1.461 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.940 -7.596 2.475 1.00 0.00 C ATOM 0 H PHE A 3 -13.282 -3.685 5.514 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.674 -3.420 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.109 -3.060 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.514 -2.891 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.930 -5.547 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.192 -4.529 1.027 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.852 -7.958 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.077 -6.935 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.883 -8.643 2.216 1.00 0.00 H new ATOM 51 N CYS A 4 -11.959 -0.410 4.615 1.00 0.00 N ATOM 52 CA CYS A 4 -11.556 0.973 4.390 1.00 0.00 C ATOM 53 C CYS A 4 -10.519 1.443 5.414 1.00 0.00 C ATOM 54 O CYS A 4 -9.504 2.015 5.020 1.00 0.00 O ATOM 55 CB CYS A 4 -12.757 1.925 4.396 1.00 0.00 C ATOM 56 SG CYS A 4 -12.311 3.520 3.670 1.00 0.00 S ATOM 0 H CYS A 4 -12.953 -0.534 4.807 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.098 0.997 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.581 1.483 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.107 2.070 5.418 1.00 0.00 H new ATOM 0 HG CYS A 4 -13.345 4.308 3.685 1.00 0.00 H new ATOM 61 N GLU A 5 -10.761 1.195 6.708 1.00 0.00 N ATOM 62 CA GLU A 5 -9.829 1.518 7.789 1.00 0.00 C ATOM 63 C GLU A 5 -8.507 0.850 7.470 1.00 0.00 C ATOM 64 O GLU A 5 -7.475 1.515 7.370 1.00 0.00 O ATOM 65 CB GLU A 5 -10.389 1.005 9.137 1.00 0.00 C ATOM 66 CG GLU A 5 -9.448 1.110 10.357 1.00 0.00 C ATOM 67 CD GLU A 5 -8.231 0.160 10.373 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.371 -1.065 10.144 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.117 0.667 10.639 1.00 0.00 O ATOM 0 H GLU A 5 -11.623 0.758 7.035 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.692 2.596 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.301 1.558 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.673 -0.040 9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.082 2.135 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.035 0.927 11.257 1.00 0.00 H new ATOM 76 N SER A 6 -8.572 -0.466 7.275 1.00 0.00 N ATOM 77 CA SER A 6 -7.391 -1.280 7.095 1.00 0.00 C ATOM 78 C SER A 6 -6.580 -0.797 5.902 1.00 0.00 C ATOM 79 O SER A 6 -5.389 -0.549 6.035 1.00 0.00 O ATOM 80 CB SER A 6 -7.814 -2.736 6.949 1.00 0.00 C ATOM 81 OG SER A 6 -8.762 -3.068 7.941 1.00 0.00 O ATOM 0 H SER A 6 -9.447 -0.989 7.239 1.00 0.00 H new ATOM 0 HA SER A 6 -6.743 -1.193 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.239 -2.902 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.943 -3.386 7.035 1.00 0.00 H new ATOM 0 HG SER A 6 -8.629 -2.496 8.725 1.00 0.00 H new ATOM 87 N CYS A 7 -7.214 -0.643 4.742 1.00 0.00 N ATOM 88 CA CYS A 7 -6.591 -0.192 3.513 1.00 0.00 C ATOM 89 C CYS A 7 -5.955 1.180 3.705 1.00 0.00 C ATOM 90 O CYS A 7 -4.798 1.369 3.324 1.00 0.00 O ATOM 91 CB CYS A 7 -7.637 -0.184 2.400 1.00 0.00 C ATOM 92 SG CYS A 7 -7.003 0.365 0.798 1.00 0.00 S ATOM 0 H CYS A 7 -8.210 -0.837 4.635 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.790 -0.875 3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.046 -1.189 2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.461 0.465 2.695 1.00 0.00 H new ATOM 97 N ARG A 8 -6.676 2.124 4.321 1.00 0.00 N ATOM 98 CA ARG A 8 -6.122 3.441 4.583 1.00 0.00 C ATOM 99 C ARG A 8 -4.883 3.299 5.463 1.00 0.00 C ATOM 100 O ARG A 8 -3.856 3.865 5.115 1.00 0.00 O ATOM 101 CB ARG A 8 -7.179 4.367 5.203 1.00 0.00 C ATOM 102 CG ARG A 8 -6.696 5.827 5.182 1.00 0.00 C ATOM 103 CD ARG A 8 -7.114 6.590 6.439 1.00 0.00 C ATOM 104 NE ARG A 8 -6.394 7.874 6.521 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.844 9.106 6.263 1.00 0.00 C ATOM 106 NH1 ARG A 8 -8.071 9.317 5.791 1.00 0.00 N ATOM 107 NH2 ARG A 8 -6.017 10.124 6.479 1.00 0.00 N ATOM 0 H ARG A 8 -7.636 1.995 4.642 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.820 3.906 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.115 4.280 4.652 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.383 4.060 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.610 5.848 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.100 6.329 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.189 6.768 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.903 5.990 7.324 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.419 7.814 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.693 8.528 5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.389 10.268 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.075 9.950 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.324 11.079 6.294 1.00 0.00 H new ATOM 121 N LYS A 9 -4.945 2.561 6.576 1.00 0.00 N ATOM 122 CA LYS A 9 -3.808 2.346 7.470 1.00 0.00 C ATOM 123 C LYS A 9 -2.634 1.707 6.721 1.00 0.00 C ATOM 124 O LYS A 9 -1.495 2.125 6.923 1.00 0.00 O ATOM 125 CB LYS A 9 -4.278 1.501 8.671 1.00 0.00 C ATOM 126 CG LYS A 9 -3.151 1.246 9.685 1.00 0.00 C ATOM 127 CD LYS A 9 -3.601 0.443 10.920 1.00 0.00 C ATOM 128 CE LYS A 9 -4.009 1.300 12.131 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.252 2.066 11.906 1.00 0.00 N ATOM 0 H LYS A 9 -5.797 2.092 6.883 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.439 3.301 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.103 2.010 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.663 0.546 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.342 0.710 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.745 2.203 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.444 -0.188 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.791 -0.222 11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.140 0.653 12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.201 1.992 12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.712 2.257 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.025 2.967 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.895 1.515 11.302 1.00 0.00 H new ATOM 143 N ILE A 10 -2.908 0.707 5.882 1.00 0.00 N ATOM 144 CA ILE A 10 -1.933 -0.018 5.080 1.00 0.00 C ATOM 145 C ILE A 10 -1.185 0.977 4.198 1.00 0.00 C ATOM 146 O ILE A 10 0.041 1.030 4.287 1.00 0.00 O ATOM 147 CB ILE A 10 -2.621 -1.168 4.307 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.964 -2.301 5.295 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.741 -1.757 3.194 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.067 -3.226 4.767 1.00 0.00 C ATOM 0 H ILE A 10 -3.860 0.369 5.740 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.187 -0.504 5.709 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.512 -0.748 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.067 -2.888 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.281 -1.868 6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.280 -2.559 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.494 -0.977 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.823 -2.154 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.270 -4.006 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.974 -2.648 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.742 -3.683 3.832 1.00 0.00 H new ATOM 162 N ILE A 11 -1.893 1.764 3.375 1.00 0.00 N ATOM 163 CA ILE A 11 -1.223 2.774 2.567 1.00 0.00 C ATOM 164 C ILE A 11 -0.530 3.785 3.476 1.00 0.00 C ATOM 165 O ILE A 11 0.614 4.086 3.201 1.00 0.00 O ATOM 166 CB ILE A 11 -2.154 3.470 1.546 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.666 2.560 0.403 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.439 4.677 0.903 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.604 1.732 -0.324 1.00 0.00 C ATOM 0 H ILE A 11 -2.905 1.718 3.257 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.476 2.259 1.964 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.022 3.772 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.411 1.878 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.176 3.184 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.107 5.156 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.164 5.392 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.540 4.336 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.078 1.135 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.869 2.398 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.107 1.072 0.387 1.00 0.00 H new ATOM 181 N GLN A 12 -1.153 4.300 4.535 1.00 0.00 N ATOM 182 CA GLN A 12 -0.559 5.368 5.339 1.00 0.00 C ATOM 183 C GLN A 12 0.825 4.999 5.877 1.00 0.00 C ATOM 184 O GLN A 12 1.733 5.813 5.739 1.00 0.00 O ATOM 185 CB GLN A 12 -1.510 5.808 6.462 1.00 0.00 C ATOM 186 CG GLN A 12 -2.743 6.559 5.926 1.00 0.00 C ATOM 187 CD GLN A 12 -2.662 8.078 6.068 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.552 8.674 6.683 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.674 8.733 5.481 1.00 0.00 N ATOM 0 H GLN A 12 -2.071 3.994 4.857 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.409 6.220 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.837 4.932 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.972 6.450 7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.876 6.310 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.629 6.203 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.950 8.220 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.636 9.751 5.531 1.00 0.00 H new ATOM 198 N LYS A 13 1.031 3.806 6.463 1.00 0.00 N ATOM 199 CA LYS A 13 2.392 3.458 6.885 1.00 0.00 C ATOM 200 C LYS A 13 3.294 3.155 5.683 1.00 0.00 C ATOM 201 O LYS A 13 4.502 3.318 5.791 1.00 0.00 O ATOM 202 CB LYS A 13 2.425 2.371 7.976 1.00 0.00 C ATOM 203 CG LYS A 13 3.795 2.225 8.688 1.00 0.00 C ATOM 204 CD LYS A 13 4.432 3.565 9.116 1.00 0.00 C ATOM 205 CE LYS A 13 5.644 3.429 10.049 1.00 0.00 C ATOM 206 NZ LYS A 13 6.346 4.725 10.200 1.00 0.00 N ATOM 0 H LYS A 13 0.314 3.104 6.646 1.00 0.00 H new ATOM 0 HA LYS A 13 2.813 4.340 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.663 2.598 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.158 1.414 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.668 1.598 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.484 1.704 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.738 4.109 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.674 4.170 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.317 3.072 11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.332 2.683 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.941 4.700 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.943 4.895 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.647 5.490 10.287 1.00 0.00 H new ATOM 220 N LEU A 14 2.753 2.670 4.564 1.00 0.00 N ATOM 221 CA LEU A 14 3.546 2.430 3.361 1.00 0.00 C ATOM 222 C LEU A 14 4.076 3.752 2.801 1.00 0.00 C ATOM 223 O LEU A 14 5.254 3.857 2.505 1.00 0.00 O ATOM 224 CB LEU A 14 2.699 1.665 2.327 1.00 0.00 C ATOM 225 CG LEU A 14 3.451 1.069 1.125 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.343 1.984 -0.082 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.924 0.723 1.352 1.00 0.00 C ATOM 0 H LEU A 14 1.765 2.436 4.468 1.00 0.00 H new ATOM 0 HA LEU A 14 4.411 1.814 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.183 0.854 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.932 2.341 1.948 1.00 0.00 H new ATOM 0 HG LEU A 14 2.949 0.116 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.882 1.544 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.294 2.110 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.776 2.955 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.346 0.311 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.471 1.624 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.006 -0.013 2.152 1.00 0.00 H new ATOM 239 N GLU A 15 3.205 4.745 2.675 1.00 0.00 N ATOM 240 CA GLU A 15 3.420 6.112 2.222 1.00 0.00 C ATOM 241 C GLU A 15 4.505 6.758 3.081 1.00 0.00 C ATOM 242 O GLU A 15 5.497 7.247 2.548 1.00 0.00 O ATOM 243 CB GLU A 15 2.023 6.775 2.303 1.00 0.00 C ATOM 244 CG GLU A 15 1.856 8.275 2.030 1.00 0.00 C ATOM 245 CD GLU A 15 0.380 8.722 2.161 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.350 8.247 3.068 1.00 0.00 O ATOM 247 OE2 GLU A 15 -0.049 9.593 1.361 1.00 0.00 O ATOM 0 H GLU A 15 2.225 4.595 2.914 1.00 0.00 H new ATOM 0 HA GLU A 15 3.794 6.209 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.375 6.247 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.634 6.585 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.471 8.842 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.218 8.505 1.028 1.00 0.00 H new ATOM 254 N ASP A 16 4.334 6.704 4.400 1.00 0.00 N ATOM 255 CA ASP A 16 5.313 7.137 5.400 1.00 0.00 C ATOM 256 C ASP A 16 6.675 6.480 5.164 1.00 0.00 C ATOM 257 O ASP A 16 7.671 7.192 5.057 1.00 0.00 O ATOM 258 CB ASP A 16 4.699 6.810 6.778 1.00 0.00 C ATOM 259 CG ASP A 16 5.618 6.673 7.999 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.689 6.032 7.936 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.095 6.859 9.124 1.00 0.00 O ATOM 0 H ASP A 16 3.477 6.344 4.820 1.00 0.00 H new ATOM 0 HA ASP A 16 5.514 8.206 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.969 7.587 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.148 5.875 6.677 1.00 0.00 H new ATOM 266 N MET A 17 6.727 5.148 5.046 1.00 0.00 N ATOM 267 CA MET A 17 7.997 4.441 4.943 1.00 0.00 C ATOM 268 C MET A 17 8.680 4.711 3.608 1.00 0.00 C ATOM 269 O MET A 17 9.890 4.919 3.586 1.00 0.00 O ATOM 270 CB MET A 17 7.819 2.921 5.082 1.00 0.00 C ATOM 271 CG MET A 17 7.554 2.430 6.510 1.00 0.00 C ATOM 272 SD MET A 17 7.550 0.614 6.755 1.00 0.00 S ATOM 273 CE MET A 17 7.136 -0.010 5.097 1.00 0.00 C ATOM 0 H MET A 17 5.905 4.545 5.020 1.00 0.00 H new ATOM 0 HA MET A 17 8.613 4.815 5.761 1.00 0.00 H new ATOM 0 HB2 MET A 17 6.991 2.607 4.446 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.715 2.429 4.705 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.309 2.862 7.166 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.589 2.821 6.833 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.877 -1.067 5.160 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.288 0.548 4.699 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.994 0.114 4.437 1.00 0.00 H new ATOM 283 N VAL A 18 7.964 4.517 2.494 1.00 0.00 N ATOM 284 CA VAL A 18 8.545 4.665 1.167 1.00 0.00 C ATOM 285 C VAL A 18 9.028 6.109 0.962 1.00 0.00 C ATOM 286 O VAL A 18 10.016 6.343 0.268 1.00 0.00 O ATOM 287 CB VAL A 18 7.572 4.120 0.106 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.462 5.094 -0.296 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.325 3.557 -1.100 1.00 0.00 C ATOM 0 H VAL A 18 6.978 4.256 2.492 1.00 0.00 H new ATOM 0 HA VAL A 18 9.444 4.058 1.056 1.00 0.00 H new ATOM 0 HB VAL A 18 7.043 3.296 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.824 4.628 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.866 5.348 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.905 6.001 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.610 3.180 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.927 4.345 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.975 2.745 -0.776 1.00 0.00 H new ATOM 299 N GLY A 19 8.315 7.074 1.554 1.00 0.00 N ATOM 300 CA GLY A 19 8.704 8.466 1.565 1.00 0.00 C ATOM 301 C GLY A 19 8.386 9.158 0.232 1.00 0.00 C ATOM 302 O GLY A 19 7.741 8.585 -0.650 1.00 0.00 O ATOM 0 H GLY A 19 7.439 6.894 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.187 8.981 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.772 8.543 1.769 1.00 0.00 H new ATOM 306 N PRO A 20 8.821 10.419 0.061 1.00 0.00 N ATOM 307 CA PRO A 20 8.479 11.239 -1.097 1.00 0.00 C ATOM 308 C PRO A 20 9.292 10.983 -2.370 1.00 0.00 C ATOM 309 O PRO A 20 9.094 11.691 -3.356 1.00 0.00 O ATOM 310 CB PRO A 20 8.649 12.681 -0.601 1.00 0.00 C ATOM 311 CG PRO A 20 9.819 12.558 0.374 1.00 0.00 C ATOM 312 CD PRO A 20 9.561 11.206 1.039 1.00 0.00 C ATOM 0 HA PRO A 20 7.469 10.996 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.872 13.368 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.749 13.050 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.779 12.579 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.829 13.371 1.100 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.497 10.717 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.989 11.325 1.959 1.00 0.00 H new ATOM 320 N GLN A 21 10.201 10.012 -2.369 1.00 0.00 N ATOM 321 CA GLN A 21 11.069 9.686 -3.508 1.00 0.00 C ATOM 322 C GLN A 21 11.143 8.162 -3.716 1.00 0.00 C ATOM 323 O GLN A 21 12.205 7.566 -3.541 1.00 0.00 O ATOM 324 CB GLN A 21 12.463 10.325 -3.316 1.00 0.00 C ATOM 325 CG GLN A 21 12.492 11.863 -3.376 1.00 0.00 C ATOM 326 CD GLN A 21 12.261 12.404 -4.788 1.00 0.00 C ATOM 327 OE1 GLN A 21 13.199 12.639 -5.535 1.00 0.00 O ATOM 328 NE2 GLN A 21 11.021 12.621 -5.194 1.00 0.00 N ATOM 0 H GLN A 21 10.362 9.413 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 21 10.642 10.107 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.861 10.007 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.133 9.935 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.728 12.263 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 21 13.454 12.219 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.238 12.425 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.847 12.985 -6.131 1.00 0.00 H new ATOM 337 N PRO A 22 10.025 7.500 -4.058 1.00 0.00 N ATOM 338 CA PRO A 22 10.003 6.069 -4.317 1.00 0.00 C ATOM 339 C PRO A 22 10.287 5.769 -5.801 1.00 0.00 C ATOM 340 O PRO A 22 10.412 6.665 -6.635 1.00 0.00 O ATOM 341 CB PRO A 22 8.566 5.692 -3.973 1.00 0.00 C ATOM 342 CG PRO A 22 7.796 6.856 -4.577 1.00 0.00 C ATOM 343 CD PRO A 22 8.686 8.049 -4.232 1.00 0.00 C ATOM 0 HA PRO A 22 10.755 5.520 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.276 4.737 -4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.409 5.610 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.666 6.743 -5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.800 6.953 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.668 8.795 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.344 8.544 -3.323 1.00 0.00 H new ATOM 351 N ASN A 23 10.310 4.485 -6.148 1.00 0.00 N ATOM 352 CA ASN A 23 10.420 3.937 -7.496 1.00 0.00 C ATOM 353 C ASN A 23 9.750 2.556 -7.452 1.00 0.00 C ATOM 354 O ASN A 23 9.473 2.052 -6.363 1.00 0.00 O ATOM 355 CB ASN A 23 11.866 3.879 -8.010 1.00 0.00 C ATOM 356 CG ASN A 23 12.712 2.901 -7.218 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.479 1.700 -7.268 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.669 3.397 -6.457 1.00 0.00 N ATOM 0 H ASN A 23 10.248 3.749 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 23 9.921 4.589 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.866 3.590 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.311 4.872 -7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.241 2.774 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.836 4.403 -6.439 1.00 0.00 H new ATOM 365 N GLU A 24 9.381 2.010 -8.613 1.00 0.00 N ATOM 366 CA GLU A 24 8.680 0.732 -8.786 1.00 0.00 C ATOM 367 C GLU A 24 9.188 -0.399 -7.873 1.00 0.00 C ATOM 368 O GLU A 24 8.370 -1.106 -7.278 1.00 0.00 O ATOM 369 CB GLU A 24 8.731 0.382 -10.286 1.00 0.00 C ATOM 370 CG GLU A 24 8.170 -0.988 -10.712 1.00 0.00 C ATOM 371 CD GLU A 24 6.646 -1.090 -10.607 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.140 -1.440 -9.522 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.947 -0.854 -11.620 1.00 0.00 O ATOM 0 H GLU A 24 9.572 2.469 -9.504 1.00 0.00 H new ATOM 0 HA GLU A 24 7.645 0.844 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.187 1.153 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.770 0.436 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.468 -1.189 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.621 -1.763 -10.093 1.00 0.00 H new ATOM 380 N ASP A 25 10.507 -0.534 -7.690 1.00 0.00 N ATOM 381 CA ASP A 25 11.057 -1.502 -6.740 1.00 0.00 C ATOM 382 C ASP A 25 10.747 -1.059 -5.324 1.00 0.00 C ATOM 383 O ASP A 25 10.115 -1.797 -4.576 1.00 0.00 O ATOM 384 CB ASP A 25 12.572 -1.705 -6.869 1.00 0.00 C ATOM 385 CG ASP A 25 13.063 -2.508 -5.655 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.776 -3.721 -5.593 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.624 -1.868 -4.733 1.00 0.00 O ATOM 0 H ASP A 25 11.209 0.014 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 25 10.584 -2.456 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.806 -2.235 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.080 -0.742 -6.916 1.00 0.00 H new ATOM 392 N THR A 26 11.151 0.154 -4.955 1.00 0.00 N ATOM 393 CA THR A 26 11.030 0.637 -3.591 1.00 0.00 C ATOM 394 C THR A 26 9.593 0.547 -3.075 1.00 0.00 C ATOM 395 O THR A 26 9.406 0.166 -1.921 1.00 0.00 O ATOM 396 CB THR A 26 11.648 2.039 -3.483 1.00 0.00 C ATOM 397 OG1 THR A 26 12.928 1.994 -4.086 1.00 0.00 O ATOM 398 CG2 THR A 26 11.883 2.474 -2.035 1.00 0.00 C ATOM 0 H THR A 26 11.571 0.826 -5.597 1.00 0.00 H new ATOM 0 HA THR A 26 11.597 -0.015 -2.926 1.00 0.00 H new ATOM 0 HB THR A 26 10.957 2.735 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.409 2.826 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.321 3.472 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.933 2.487 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.562 1.773 -1.550 1.00 0.00 H new ATOM 406 N VAL A 27 8.570 0.801 -3.898 1.00 0.00 N ATOM 407 CA VAL A 27 7.195 0.610 -3.443 1.00 0.00 C ATOM 408 C VAL A 27 6.931 -0.892 -3.267 1.00 0.00 C ATOM 409 O VAL A 27 6.378 -1.296 -2.242 1.00 0.00 O ATOM 410 CB VAL A 27 6.153 1.243 -4.389 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.800 1.226 -3.659 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.445 2.693 -4.785 1.00 0.00 C ATOM 0 H VAL A 27 8.666 1.131 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 27 7.084 1.125 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 27 6.169 0.659 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.036 1.667 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.527 0.197 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.877 1.801 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.660 3.054 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.477 3.315 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.406 2.744 -5.297 1.00 0.00 H new ATOM 422 N THR A 28 7.312 -1.720 -4.241 1.00 0.00 N ATOM 423 CA THR A 28 7.128 -3.165 -4.224 1.00 0.00 C ATOM 424 C THR A 28 7.757 -3.782 -2.966 1.00 0.00 C ATOM 425 O THR A 28 7.068 -4.509 -2.233 1.00 0.00 O ATOM 426 CB THR A 28 7.656 -3.738 -5.556 1.00 0.00 C ATOM 427 OG1 THR A 28 6.810 -3.275 -6.590 1.00 0.00 O ATOM 428 CG2 THR A 28 7.696 -5.268 -5.626 1.00 0.00 C ATOM 0 H THR A 28 7.772 -1.389 -5.089 1.00 0.00 H new ATOM 0 HA THR A 28 6.072 -3.428 -4.157 1.00 0.00 H new ATOM 0 HB THR A 28 8.688 -3.400 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.195 -2.468 -6.991 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.080 -5.578 -6.598 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.346 -5.651 -4.840 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.690 -5.665 -5.490 1.00 0.00 H new ATOM 436 N GLN A 29 9.023 -3.482 -2.661 1.00 0.00 N ATOM 437 CA GLN A 29 9.690 -4.006 -1.479 1.00 0.00 C ATOM 438 C GLN A 29 9.079 -3.396 -0.215 1.00 0.00 C ATOM 439 O GLN A 29 8.712 -4.138 0.701 1.00 0.00 O ATOM 440 CB GLN A 29 11.222 -3.856 -1.543 1.00 0.00 C ATOM 441 CG GLN A 29 11.799 -2.449 -1.735 1.00 0.00 C ATOM 442 CD GLN A 29 13.224 -2.360 -1.197 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.426 -2.408 0.014 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.216 -2.222 -2.056 1.00 0.00 N ATOM 0 H GLN A 29 9.608 -2.870 -3.229 1.00 0.00 H new ATOM 0 HA GLN A 29 9.518 -5.082 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.636 -4.264 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.585 -4.480 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.790 -2.191 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.168 -1.721 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.023 -2.185 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.176 -2.153 -1.719 1.00 0.00 H new ATOM 453 N ALA A 30 8.886 -2.071 -0.161 1.00 0.00 N ATOM 454 CA ALA A 30 8.388 -1.412 1.036 1.00 0.00 C ATOM 455 C ALA A 30 7.001 -1.925 1.404 1.00 0.00 C ATOM 456 O ALA A 30 6.726 -2.051 2.589 1.00 0.00 O ATOM 457 CB ALA A 30 8.375 0.113 0.887 1.00 0.00 C ATOM 0 H ALA A 30 9.071 -1.439 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 30 9.075 -1.657 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.996 0.565 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.388 0.469 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.732 0.392 0.052 1.00 0.00 H new ATOM 463 N ALA A 31 6.137 -2.241 0.435 1.00 0.00 N ATOM 464 CA ALA A 31 4.773 -2.728 0.625 1.00 0.00 C ATOM 465 C ALA A 31 4.772 -4.228 0.943 1.00 0.00 C ATOM 466 O ALA A 31 4.063 -4.663 1.850 1.00 0.00 O ATOM 467 CB ALA A 31 3.945 -2.444 -0.635 1.00 0.00 C ATOM 0 H ALA A 31 6.385 -2.159 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 31 4.326 -2.205 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.928 -2.808 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.923 -1.370 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.395 -2.952 -1.488 1.00 0.00 H new ATOM 473 N SER A 32 5.490 -5.069 0.190 1.00 0.00 N ATOM 474 CA SER A 32 5.608 -6.488 0.565 1.00 0.00 C ATOM 475 C SER A 32 6.122 -6.625 2.012 1.00 0.00 C ATOM 476 O SER A 32 5.715 -7.545 2.734 1.00 0.00 O ATOM 477 CB SER A 32 6.425 -7.273 -0.464 1.00 0.00 C ATOM 478 OG SER A 32 7.673 -6.674 -0.703 1.00 0.00 O ATOM 0 H SER A 32 5.987 -4.805 -0.661 1.00 0.00 H new ATOM 0 HA SER A 32 4.618 -6.943 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.573 -8.293 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.868 -7.338 -1.398 1.00 0.00 H new ATOM 0 HG SER A 32 7.542 -5.817 -1.160 1.00 0.00 H new ATOM 484 N GLN A 33 6.852 -5.611 2.488 1.00 0.00 N ATOM 485 CA GLN A 33 7.303 -5.489 3.855 1.00 0.00 C ATOM 486 C GLN A 33 6.260 -4.790 4.704 1.00 0.00 C ATOM 487 O GLN A 33 6.106 -5.217 5.842 1.00 0.00 O ATOM 488 CB GLN A 33 8.598 -4.664 3.937 1.00 0.00 C ATOM 489 CG GLN A 33 9.851 -5.484 3.632 1.00 0.00 C ATOM 490 CD GLN A 33 10.167 -6.264 4.907 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.479 -5.667 5.941 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.949 -7.569 4.909 1.00 0.00 N ATOM 0 H GLN A 33 7.149 -4.831 1.901 1.00 0.00 H new ATOM 0 HA GLN A 33 7.478 -6.500 4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.536 -3.831 3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.686 -4.235 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.680 -6.160 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.683 -4.836 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.692 -8.044 4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.038 -8.100 5.776 1.00 0.00 H new ATOM 501 N VAL A 34 5.511 -3.801 4.208 1.00 0.00 N ATOM 502 CA VAL A 34 4.591 -3.017 5.028 1.00 0.00 C ATOM 503 C VAL A 34 3.605 -3.997 5.645 1.00 0.00 C ATOM 504 O VAL A 34 3.297 -3.922 6.829 1.00 0.00 O ATOM 505 CB VAL A 34 3.829 -1.928 4.232 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.567 -2.280 3.418 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.453 -0.787 5.142 1.00 0.00 C ATOM 0 H VAL A 34 5.527 -3.524 3.227 1.00 0.00 H new ATOM 0 HA VAL A 34 5.165 -2.479 5.782 1.00 0.00 H new ATOM 0 HB VAL A 34 4.574 -1.703 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.183 -1.381 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.819 -3.021 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.806 -2.687 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.918 -0.028 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.813 -1.156 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.355 -0.350 5.570 1.00 0.00 H new ATOM 517 N CYS A 35 3.173 -4.975 4.846 1.00 0.00 N ATOM 518 CA CYS A 35 2.234 -5.965 5.287 1.00 0.00 C ATOM 519 C CYS A 35 2.870 -6.873 6.311 1.00 0.00 C ATOM 520 O CYS A 35 2.256 -7.126 7.340 1.00 0.00 O ATOM 521 CB CYS A 35 1.782 -6.826 4.115 1.00 0.00 C ATOM 522 SG CYS A 35 1.053 -5.982 2.708 1.00 0.00 S ATOM 0 H CYS A 35 3.474 -5.088 3.878 1.00 0.00 H new ATOM 0 HA CYS A 35 1.382 -5.444 5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.643 -7.392 3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.057 -7.549 4.488 1.00 0.00 H new ATOM 527 N ASP A 36 4.005 -7.496 5.976 1.00 0.00 N ATOM 528 CA ASP A 36 4.650 -8.405 6.914 1.00 0.00 C ATOM 529 C ASP A 36 4.859 -7.734 8.289 1.00 0.00 C ATOM 530 O ASP A 36 4.541 -8.295 9.338 1.00 0.00 O ATOM 531 CB ASP A 36 5.925 -8.997 6.318 1.00 0.00 C ATOM 532 CG ASP A 36 6.208 -10.285 7.079 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.469 -11.250 6.754 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.025 -10.299 8.018 1.00 0.00 O ATOM 0 H ASP A 36 4.483 -7.388 5.082 1.00 0.00 H new ATOM 0 HA ASP A 36 3.985 -9.250 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.798 -9.196 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.757 -8.300 6.415 1.00 0.00 H new ATOM 539 N LYS A 37 5.305 -6.477 8.252 1.00 0.00 N ATOM 540 CA LYS A 37 5.718 -5.616 9.357 1.00 0.00 C ATOM 541 C LYS A 37 4.525 -5.116 10.174 1.00 0.00 C ATOM 542 O LYS A 37 4.615 -5.055 11.401 1.00 0.00 O ATOM 543 CB LYS A 37 6.535 -4.483 8.705 1.00 0.00 C ATOM 544 CG LYS A 37 7.413 -3.608 9.608 1.00 0.00 C ATOM 545 CD LYS A 37 8.838 -3.482 9.028 1.00 0.00 C ATOM 546 CE LYS A 37 8.933 -2.854 7.623 1.00 0.00 C ATOM 547 NZ LYS A 37 10.275 -3.053 7.012 1.00 0.00 N ATOM 0 H LYS A 37 5.394 -5.991 7.360 1.00 0.00 H new ATOM 0 HA LYS A 37 6.322 -6.152 10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.179 -4.931 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.837 -3.828 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.967 -2.618 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.459 -4.040 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.439 -2.885 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.286 -4.475 8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.172 -3.293 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.719 -1.787 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.411 -2.368 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.010 -2.912 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.344 -4.019 6.632 1.00 0.00 H new ATOM 561 N LEU A 38 3.399 -4.780 9.538 1.00 0.00 N ATOM 562 CA LEU A 38 2.168 -4.412 10.232 1.00 0.00 C ATOM 563 C LEU A 38 1.609 -5.721 10.796 1.00 0.00 C ATOM 564 O LEU A 38 0.879 -6.442 10.113 1.00 0.00 O ATOM 565 CB LEU A 38 1.144 -3.761 9.271 1.00 0.00 C ATOM 566 CG LEU A 38 1.443 -2.315 8.816 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.546 -1.960 7.621 1.00 0.00 C ATOM 568 CD2 LEU A 38 1.195 -1.276 9.918 1.00 0.00 C ATOM 0 H LEU A 38 3.319 -4.756 8.521 1.00 0.00 H new ATOM 0 HA LEU A 38 2.365 -3.676 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.064 -4.388 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.168 -3.770 9.756 1.00 0.00 H new ATOM 0 HG LEU A 38 2.500 -2.284 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.756 -0.940 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.745 -2.648 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.500 -2.039 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.423 -0.280 9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.151 -1.316 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.835 -1.493 10.773 1.00 0.00 H new ATOM 580 N LYS A 39 1.885 -6.028 12.069 1.00 0.00 N ATOM 581 CA LYS A 39 1.488 -7.329 12.615 1.00 0.00 C ATOM 582 C LYS A 39 -0.008 -7.268 12.921 1.00 0.00 C ATOM 583 O LYS A 39 -0.568 -6.182 13.060 1.00 0.00 O ATOM 584 CB LYS A 39 2.351 -7.706 13.838 1.00 0.00 C ATOM 585 CG LYS A 39 2.268 -6.744 15.040 1.00 0.00 C ATOM 586 CD LYS A 39 3.194 -7.206 16.181 1.00 0.00 C ATOM 587 CE LYS A 39 3.120 -6.247 17.381 1.00 0.00 C ATOM 588 NZ LYS A 39 4.002 -6.658 18.503 1.00 0.00 N ATOM 0 H LYS A 39 2.368 -5.413 12.724 1.00 0.00 H new ATOM 0 HA LYS A 39 1.662 -8.126 11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.058 -8.701 14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.391 -7.770 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.546 -5.738 14.725 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.240 -6.693 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.912 -8.210 16.497 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.221 -7.262 15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.397 -5.244 17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.090 -6.194 17.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.912 -5.976 19.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.724 -7.603 18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.989 -6.682 18.177 1.00 0.00 H new ATOM 602 N ILE A 40 -0.651 -8.439 13.011 1.00 0.00 N ATOM 603 CA ILE A 40 -2.101 -8.643 13.154 1.00 0.00 C ATOM 604 C ILE A 40 -2.754 -8.313 11.805 1.00 0.00 C ATOM 605 O ILE A 40 -3.301 -9.193 11.144 1.00 0.00 O ATOM 606 CB ILE A 40 -2.742 -7.883 14.351 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.091 -8.243 15.707 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.270 -8.082 14.402 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.151 -9.727 16.097 1.00 0.00 C ATOM 0 H ILE A 40 -0.144 -9.324 12.984 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.285 -9.686 13.410 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.545 -6.825 14.176 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.046 -7.934 15.682 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.577 -7.660 16.489 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.680 -7.536 15.252 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.717 -7.708 13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.495 -9.143 14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.667 -9.869 17.063 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.192 -10.044 16.163 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.637 -10.323 15.342 1.00 0.00 H new ATOM 621 N LEU A 41 -2.571 -7.091 11.306 1.00 0.00 N ATOM 622 CA LEU A 41 -3.228 -6.574 10.106 1.00 0.00 C ATOM 623 C LEU A 41 -2.467 -7.021 8.829 1.00 0.00 C ATOM 624 O LEU A 41 -2.862 -6.727 7.698 1.00 0.00 O ATOM 625 CB LEU A 41 -3.318 -5.046 10.345 1.00 0.00 C ATOM 626 CG LEU A 41 -4.355 -4.201 9.579 1.00 0.00 C ATOM 627 CD1 LEU A 41 -3.862 -3.690 8.232 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.707 -4.908 9.446 1.00 0.00 C ATOM 0 H LEU A 41 -1.943 -6.413 11.738 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.230 -6.966 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.501 -4.896 11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.336 -4.627 10.128 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.504 -3.318 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.648 -3.105 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.982 -3.064 8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.602 -4.536 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.400 -4.269 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.576 -5.846 8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.109 -5.113 10.438 1.00 0.00 H new ATOM 640 N ARG A 42 -1.487 -7.920 9.000 1.00 0.00 N ATOM 641 CA ARG A 42 -0.631 -8.533 7.985 1.00 0.00 C ATOM 642 C ARG A 42 -1.482 -9.259 6.956 1.00 0.00 C ATOM 643 O ARG A 42 -1.209 -9.138 5.762 1.00 0.00 O ATOM 644 CB ARG A 42 0.334 -9.500 8.717 1.00 0.00 C ATOM 645 CG ARG A 42 1.182 -10.406 7.806 1.00 0.00 C ATOM 646 CD ARG A 42 2.028 -11.432 8.586 1.00 0.00 C ATOM 647 NE ARG A 42 3.187 -10.842 9.280 1.00 0.00 N ATOM 648 CZ ARG A 42 4.324 -11.483 9.608 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.450 -12.803 9.477 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.346 -10.791 10.080 1.00 0.00 N ATOM 0 H ARG A 42 -1.257 -8.263 9.933 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.055 -7.781 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.006 -8.911 9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.251 -10.132 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.524 -10.936 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.843 -9.785 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.393 -11.931 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.381 -12.198 7.896 1.00 0.00 H new ATOM 0 HE ARG A 42 3.121 -9.857 9.535 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.672 -13.357 9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.325 -13.260 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.269 -9.780 10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.212 -11.268 10.331 1.00 0.00 H new ATOM 664 N GLY A 43 -2.500 -10.000 7.398 1.00 0.00 N ATOM 665 CA GLY A 43 -3.362 -10.764 6.510 1.00 0.00 C ATOM 666 C GLY A 43 -4.092 -9.866 5.513 1.00 0.00 C ATOM 667 O GLY A 43 -4.107 -10.156 4.316 1.00 0.00 O ATOM 0 H GLY A 43 -2.746 -10.084 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.766 -11.498 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.091 -11.319 7.100 1.00 0.00 H new ATOM 671 N LEU A 44 -4.684 -8.763 5.987 1.00 0.00 N ATOM 672 CA LEU A 44 -5.520 -7.897 5.160 1.00 0.00 C ATOM 673 C LEU A 44 -4.661 -7.295 4.050 1.00 0.00 C ATOM 674 O LEU A 44 -5.028 -7.400 2.875 1.00 0.00 O ATOM 675 CB LEU A 44 -6.209 -6.842 6.054 1.00 0.00 C ATOM 676 CG LEU A 44 -7.484 -6.169 5.502 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.282 -5.264 4.282 1.00 0.00 C ATOM 678 CD2 LEU A 44 -8.569 -7.203 5.185 1.00 0.00 C ATOM 0 H LEU A 44 -4.595 -8.450 6.954 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.319 -8.458 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.462 -7.317 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.483 -6.059 6.273 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.798 -5.514 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.241 -4.844 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.596 -4.456 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.865 -5.847 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.453 -6.696 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.197 -7.904 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.830 -7.746 6.093 1.00 0.00 H new ATOM 690 N CYS A 45 -3.514 -6.725 4.428 1.00 0.00 N ATOM 691 CA CYS A 45 -2.487 -6.198 3.560 1.00 0.00 C ATOM 692 C CYS A 45 -1.982 -7.243 2.564 1.00 0.00 C ATOM 693 O CYS A 45 -2.099 -7.009 1.364 1.00 0.00 O ATOM 694 CB CYS A 45 -1.389 -5.637 4.461 1.00 0.00 C ATOM 695 SG CYS A 45 -0.145 -4.643 3.620 1.00 0.00 S ATOM 0 H CYS A 45 -3.274 -6.618 5.414 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.882 -5.402 2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.853 -5.029 5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.891 -6.468 4.961 1.00 0.00 H new ATOM 700 N LYS A 46 -1.455 -8.395 3.004 1.00 0.00 N ATOM 701 CA LYS A 46 -0.982 -9.426 2.068 1.00 0.00 C ATOM 702 C LYS A 46 -2.078 -9.831 1.081 1.00 0.00 C ATOM 703 O LYS A 46 -1.774 -9.983 -0.098 1.00 0.00 O ATOM 704 CB LYS A 46 -0.269 -10.610 2.761 1.00 0.00 C ATOM 705 CG LYS A 46 1.193 -10.219 3.063 1.00 0.00 C ATOM 706 CD LYS A 46 2.049 -11.222 3.852 1.00 0.00 C ATOM 707 CE LYS A 46 3.541 -10.845 3.688 1.00 0.00 C ATOM 708 NZ LYS A 46 4.496 -11.793 4.316 1.00 0.00 N ATOM 0 H LYS A 46 -1.346 -8.635 3.989 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.192 -8.975 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.786 -10.871 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.297 -11.492 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.692 -10.025 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.182 -9.279 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.770 -11.209 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.874 -12.235 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.768 -10.774 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.700 -9.855 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.382 -11.806 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.694 -11.491 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.082 -12.747 4.326 1.00 0.00 H new ATOM 722 N LYS A 47 -3.344 -9.939 1.500 1.00 0.00 N ATOM 723 CA LYS A 47 -4.453 -10.196 0.576 1.00 0.00 C ATOM 724 C LYS A 47 -4.579 -9.093 -0.479 1.00 0.00 C ATOM 725 O LYS A 47 -4.881 -9.422 -1.623 1.00 0.00 O ATOM 726 CB LYS A 47 -5.739 -10.448 1.387 1.00 0.00 C ATOM 727 CG LYS A 47 -6.992 -10.800 0.564 1.00 0.00 C ATOM 728 CD LYS A 47 -7.831 -9.632 0.008 1.00 0.00 C ATOM 729 CE LYS A 47 -8.478 -8.748 1.088 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.653 -7.575 1.463 1.00 0.00 N ATOM 0 H LYS A 47 -3.626 -9.852 2.476 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.255 -11.099 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.550 -11.259 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.954 -9.558 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.679 -11.419 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.642 -11.414 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.194 -9.010 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.615 -10.036 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.447 -8.401 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.664 -9.351 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.274 -6.768 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.083 -7.805 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.023 -7.327 0.674 1.00 0.00 H new ATOM 744 N ILE A 48 -4.394 -7.813 -0.129 1.00 0.00 N ATOM 745 CA ILE A 48 -4.373 -6.734 -1.126 1.00 0.00 C ATOM 746 C ILE A 48 -3.225 -7.018 -2.096 1.00 0.00 C ATOM 747 O ILE A 48 -3.476 -7.161 -3.289 1.00 0.00 O ATOM 748 CB ILE A 48 -4.279 -5.317 -0.491 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.555 -5.030 0.329 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.093 -4.218 -1.556 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.558 -3.690 1.076 1.00 0.00 C ATOM 0 H ILE A 48 -4.257 -7.500 0.832 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.321 -6.723 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.403 -5.303 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.414 -5.057 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.692 -5.833 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.032 -3.245 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.174 -4.403 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.941 -4.228 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.495 -3.580 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.724 -3.662 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.457 -2.874 0.360 1.00 0.00 H new ATOM 763 N MET A 49 -1.992 -7.158 -1.599 1.00 0.00 N ATOM 764 CA MET A 49 -0.813 -7.299 -2.453 1.00 0.00 C ATOM 765 C MET A 49 -0.924 -8.517 -3.373 1.00 0.00 C ATOM 766 O MET A 49 -0.589 -8.399 -4.545 1.00 0.00 O ATOM 767 CB MET A 49 0.477 -7.350 -1.620 1.00 0.00 C ATOM 768 CG MET A 49 0.631 -6.166 -0.656 1.00 0.00 C ATOM 769 SD MET A 49 0.380 -4.507 -1.347 1.00 0.00 S ATOM 770 CE MET A 49 0.343 -3.540 0.191 1.00 0.00 C ATOM 0 H MET A 49 -1.786 -7.176 -0.600 1.00 0.00 H new ATOM 0 HA MET A 49 -0.766 -6.414 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.495 -8.278 -1.049 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.334 -7.374 -2.293 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.074 -6.302 0.164 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.632 -6.207 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.302 -2.477 -0.048 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.537 -3.815 0.773 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.242 -3.747 0.772 1.00 0.00 H new ATOM 780 N ARG A 50 -1.477 -9.645 -2.903 1.00 0.00 N ATOM 781 CA ARG A 50 -1.711 -10.845 -3.716 1.00 0.00 C ATOM 782 C ARG A 50 -2.373 -10.478 -5.039 1.00 0.00 C ATOM 783 O ARG A 50 -1.972 -10.988 -6.080 1.00 0.00 O ATOM 784 CB ARG A 50 -2.602 -11.844 -2.941 1.00 0.00 C ATOM 785 CG ARG A 50 -2.587 -13.321 -3.393 1.00 0.00 C ATOM 786 CD ARG A 50 -2.819 -13.672 -4.876 1.00 0.00 C ATOM 787 NE ARG A 50 -4.053 -13.109 -5.471 1.00 0.00 N ATOM 788 CZ ARG A 50 -4.327 -13.111 -6.790 1.00 0.00 C ATOM 789 NH1 ARG A 50 -3.521 -13.741 -7.645 1.00 0.00 N ATOM 790 NH2 ARG A 50 -5.405 -12.488 -7.267 1.00 0.00 N ATOM 0 H ARG A 50 -1.778 -9.749 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.749 -11.311 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.308 -11.811 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.631 -11.487 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.621 -13.738 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.345 -13.846 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.964 -13.322 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.849 -14.757 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.739 -12.693 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.691 -14.225 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.734 -13.739 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.036 -12.001 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.599 -12.499 -8.268 1.00 0.00 H new ATOM 804 N SER A 51 -3.403 -9.633 -4.992 1.00 0.00 N ATOM 805 CA SER A 51 -4.189 -9.330 -6.174 1.00 0.00 C ATOM 806 C SER A 51 -3.869 -7.962 -6.786 1.00 0.00 C ATOM 807 O SER A 51 -4.251 -7.745 -7.933 1.00 0.00 O ATOM 808 CB SER A 51 -5.663 -9.443 -5.768 1.00 0.00 C ATOM 809 OG SER A 51 -6.485 -9.657 -6.892 1.00 0.00 O ATOM 0 H SER A 51 -3.707 -9.150 -4.147 1.00 0.00 H new ATOM 0 HA SER A 51 -3.944 -10.039 -6.964 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.787 -10.264 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.973 -8.532 -5.255 1.00 0.00 H new ATOM 0 HG SER A 51 -6.130 -9.157 -7.657 1.00 0.00 H new ATOM 815 N PHE A 52 -3.181 -7.055 -6.083 1.00 0.00 N ATOM 816 CA PHE A 52 -2.955 -5.686 -6.540 1.00 0.00 C ATOM 817 C PHE A 52 -1.543 -5.174 -6.198 1.00 0.00 C ATOM 818 O PHE A 52 -1.396 -3.985 -5.932 1.00 0.00 O ATOM 819 CB PHE A 52 -4.016 -4.789 -5.842 1.00 0.00 C ATOM 820 CG PHE A 52 -5.491 -4.973 -6.159 1.00 0.00 C ATOM 821 CD1 PHE A 52 -5.941 -5.258 -7.464 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.437 -4.709 -5.148 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.318 -5.315 -7.741 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.813 -4.745 -5.430 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.254 -5.054 -6.725 1.00 0.00 C ATOM 0 H PHE A 52 -2.764 -7.256 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.043 -5.655 -7.626 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.896 -4.921 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.763 -3.753 -6.066 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.225 -5.433 -8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.101 -4.477 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.658 -5.560 -8.737 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.530 -4.535 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.311 -5.091 -6.941 1.00 0.00 H new ATOM 835 N LEU A 53 -0.473 -5.978 -6.278 1.00 0.00 N ATOM 836 CA LEU A 53 0.846 -5.510 -5.820 1.00 0.00 C ATOM 837 C LEU A 53 1.280 -4.298 -6.657 1.00 0.00 C ATOM 838 O LEU A 53 1.408 -3.196 -6.128 1.00 0.00 O ATOM 839 CB LEU A 53 1.892 -6.640 -5.853 1.00 0.00 C ATOM 840 CG LEU A 53 3.098 -6.389 -4.922 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.031 -7.601 -4.981 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.908 -5.117 -5.168 1.00 0.00 C ATOM 0 H LEU A 53 -0.490 -6.930 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 53 0.768 -5.199 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.413 -7.577 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.251 -6.763 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 53 2.657 -6.239 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.887 -7.434 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.493 -8.491 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.379 -7.743 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.724 -5.061 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.316 -5.135 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.262 -4.246 -5.053 1.00 0.00 H new ATOM 854 N ARG A 54 1.432 -4.451 -7.981 1.00 0.00 N ATOM 855 CA ARG A 54 1.926 -3.337 -8.797 1.00 0.00 C ATOM 856 C ARG A 54 0.898 -2.198 -8.872 1.00 0.00 C ATOM 857 O ARG A 54 1.253 -1.093 -9.274 1.00 0.00 O ATOM 858 CB ARG A 54 2.401 -3.818 -10.181 1.00 0.00 C ATOM 859 CG ARG A 54 3.388 -2.823 -10.840 1.00 0.00 C ATOM 860 CD ARG A 54 2.868 -2.034 -12.049 1.00 0.00 C ATOM 861 NE ARG A 54 2.972 -2.791 -13.315 1.00 0.00 N ATOM 862 CZ ARG A 54 4.054 -2.842 -14.113 1.00 0.00 C ATOM 863 NH1 ARG A 54 5.188 -2.230 -13.796 1.00 0.00 N ATOM 864 NH2 ARG A 54 3.995 -3.522 -15.258 1.00 0.00 N ATOM 0 H ARG A 54 1.227 -5.308 -8.495 1.00 0.00 H new ATOM 0 HA ARG A 54 2.805 -2.921 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.882 -4.791 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.538 -3.955 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.709 -2.110 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.273 -3.378 -11.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.827 -1.761 -11.879 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.430 -1.104 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 54 2.152 -3.321 -13.609 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.257 -1.702 -12.926 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.991 -2.288 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.134 -3.999 -15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.811 -3.565 -15.868 1.00 0.00 H new ATOM 878 N ARG A 55 -0.380 -2.418 -8.511 1.00 0.00 N ATOM 879 CA ARG A 55 -1.333 -1.325 -8.434 1.00 0.00 C ATOM 880 C ARG A 55 -0.850 -0.418 -7.291 1.00 0.00 C ATOM 881 O ARG A 55 -0.725 0.782 -7.486 1.00 0.00 O ATOM 882 CB ARG A 55 -2.773 -1.803 -8.155 1.00 0.00 C ATOM 883 CG ARG A 55 -3.670 -2.341 -9.290 1.00 0.00 C ATOM 884 CD ARG A 55 -4.349 -1.317 -10.239 1.00 0.00 C ATOM 885 NE ARG A 55 -5.804 -1.151 -9.983 1.00 0.00 N ATOM 886 CZ ARG A 55 -6.572 -0.055 -10.172 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.092 1.084 -10.647 1.00 0.00 N ATOM 888 NH2 ARG A 55 -7.857 -0.068 -9.840 1.00 0.00 N ATOM 0 H ARG A 55 -0.761 -3.334 -8.273 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.374 -0.806 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.708 -2.588 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.303 -0.967 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.066 -3.012 -9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.455 -2.945 -8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.856 -0.351 -10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.203 -1.637 -11.271 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.286 -1.972 -9.617 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.104 1.160 -10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.711 1.885 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.272 -0.909 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.430 0.763 -9.986 1.00 0.00 H new ATOM 902 N ILE A 56 -0.538 -0.974 -6.118 1.00 0.00 N ATOM 903 CA ILE A 56 -0.003 -0.201 -4.995 1.00 0.00 C ATOM 904 C ILE A 56 1.266 0.565 -5.406 1.00 0.00 C ATOM 905 O ILE A 56 1.476 1.670 -4.907 1.00 0.00 O ATOM 906 CB ILE A 56 0.115 -1.107 -3.743 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.239 -1.254 -3.006 1.00 0.00 C ATOM 908 CG2 ILE A 56 1.153 -0.622 -2.715 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.504 -1.478 -3.845 1.00 0.00 C ATOM 0 H ILE A 56 -0.649 -1.969 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.693 0.591 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 56 0.444 -2.066 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.150 -2.088 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.391 -0.355 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.176 -1.309 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.138 -0.588 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.882 0.374 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.368 -1.561 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.645 -0.636 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.399 -2.396 -4.423 1.00 0.00 H new ATOM 921 N SER A 57 2.024 0.069 -6.387 1.00 0.00 N ATOM 922 CA SER A 57 3.169 0.781 -6.928 1.00 0.00 C ATOM 923 C SER A 57 2.680 2.016 -7.691 1.00 0.00 C ATOM 924 O SER A 57 2.963 3.130 -7.254 1.00 0.00 O ATOM 925 CB SER A 57 4.001 -0.172 -7.777 1.00 0.00 C ATOM 926 OG SER A 57 5.301 0.320 -7.910 1.00 0.00 O ATOM 0 H SER A 57 1.856 -0.837 -6.824 1.00 0.00 H new ATOM 0 HA SER A 57 3.822 1.141 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.022 -1.159 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.545 -0.289 -8.760 1.00 0.00 H new ATOM 0 HG SER A 57 5.891 -0.395 -8.228 1.00 0.00 H new ATOM 932 N TRP A 58 1.865 1.854 -8.746 1.00 0.00 N ATOM 933 CA TRP A 58 1.229 2.959 -9.481 1.00 0.00 C ATOM 934 C TRP A 58 0.651 4.003 -8.517 1.00 0.00 C ATOM 935 O TRP A 58 0.820 5.204 -8.738 1.00 0.00 O ATOM 936 CB TRP A 58 0.185 2.463 -10.507 1.00 0.00 C ATOM 937 CG TRP A 58 -1.093 3.261 -10.568 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.256 4.501 -11.082 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.366 2.945 -9.943 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.524 4.970 -10.780 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.233 4.068 -10.015 1.00 0.00 C ATOM 942 CE3 TRP A 58 -2.849 1.817 -9.273 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.487 4.076 -9.374 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.076 1.808 -8.616 1.00 0.00 C ATOM 945 CH2 TRP A 58 -4.887 2.945 -8.637 1.00 0.00 C ATOM 0 H TRP A 58 1.626 0.935 -9.118 1.00 0.00 H new ATOM 0 HA TRP A 58 2.008 3.450 -10.064 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.643 2.466 -11.496 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.064 1.428 -10.275 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.510 5.044 -11.643 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.889 5.872 -11.086 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.248 0.920 -9.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.133 4.938 -9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.401 0.922 -8.090 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -5.818 2.957 -8.090 1.00 0.00 H new ATOM 956 N ASP A 59 -0.099 3.554 -7.508 1.00 0.00 N ATOM 957 CA ASP A 59 -0.748 4.407 -6.524 1.00 0.00 C ATOM 958 C ASP A 59 0.232 5.410 -5.929 1.00 0.00 C ATOM 959 O ASP A 59 0.015 6.616 -6.049 1.00 0.00 O ATOM 960 CB ASP A 59 -1.397 3.565 -5.408 1.00 0.00 C ATOM 961 CG ASP A 59 -2.743 3.019 -5.840 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.625 3.818 -6.206 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.068 1.708 -5.780 1.00 0.00 O ATOM 0 H ASP A 59 -0.273 2.561 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.532 4.963 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.736 2.740 -5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.520 4.176 -4.514 1.00 0.00 H new ATOM 969 N ILE A 60 1.283 4.922 -5.271 1.00 0.00 N ATOM 970 CA ILE A 60 2.341 5.753 -4.712 1.00 0.00 C ATOM 971 C ILE A 60 3.072 6.547 -5.800 1.00 0.00 C ATOM 972 O ILE A 60 3.258 7.748 -5.631 1.00 0.00 O ATOM 973 CB ILE A 60 3.241 4.904 -3.789 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.628 4.731 -2.380 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.639 5.504 -3.612 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.263 4.041 -2.298 1.00 0.00 C ATOM 0 H ILE A 60 1.422 3.924 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 60 1.912 6.527 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 60 3.319 3.938 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.332 4.164 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.537 5.718 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.228 4.866 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.130 5.576 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.555 6.498 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.947 3.983 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.531 4.613 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.338 3.035 -2.711 1.00 0.00 H new ATOM 988 N LEU A 61 3.479 5.907 -6.902 1.00 0.00 N ATOM 989 CA LEU A 61 4.258 6.542 -7.970 1.00 0.00 C ATOM 990 C LEU A 61 3.524 7.758 -8.538 1.00 0.00 C ATOM 991 O LEU A 61 4.141 8.779 -8.810 1.00 0.00 O ATOM 992 CB LEU A 61 4.553 5.539 -9.102 1.00 0.00 C ATOM 993 CG LEU A 61 5.543 4.413 -8.738 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.487 3.311 -9.803 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.986 4.908 -8.627 1.00 0.00 C ATOM 0 H LEU A 61 3.274 4.923 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 61 5.201 6.874 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.613 5.087 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.948 6.087 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 61 5.241 4.032 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.187 2.517 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.478 2.903 -9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.756 3.729 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.638 4.074 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.300 5.332 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.050 5.672 -7.852 1.00 0.00 H new ATOM 1007 N THR A 62 2.201 7.677 -8.696 1.00 0.00 N ATOM 1008 CA THR A 62 1.372 8.789 -9.156 1.00 0.00 C ATOM 1009 C THR A 62 0.846 9.625 -7.973 1.00 0.00 C ATOM 1010 O THR A 62 -0.259 10.175 -8.052 1.00 0.00 O ATOM 1011 CB THR A 62 0.288 8.285 -10.128 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.629 7.383 -9.525 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.888 7.612 -11.367 1.00 0.00 C ATOM 0 H THR A 62 1.671 6.827 -8.505 1.00 0.00 H new ATOM 0 HA THR A 62 1.981 9.485 -9.732 1.00 0.00 H new ATOM 0 HB THR A 62 -0.253 9.184 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.179 6.532 -9.342 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.085 7.274 -12.022 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.515 8.326 -11.901 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.491 6.757 -11.061 1.00 0.00 H new ATOM 1021 N GLY A 63 1.599 9.665 -6.867 1.00 0.00 N ATOM 1022 CA GLY A 63 1.365 10.398 -5.628 1.00 0.00 C ATOM 1023 C GLY A 63 -0.095 10.425 -5.204 1.00 0.00 C ATOM 1024 O GLY A 63 -0.618 11.487 -4.856 1.00 0.00 O ATOM 0 H GLY A 63 2.468 9.133 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.958 9.948 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.719 11.422 -5.749 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.780 9.276 -5.188 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.207 9.302 -4.916 1.00 0.00 C ATOM 1030 C LYS A 64 -2.358 9.210 -3.406 1.00 0.00 C ATOM 1031 O LYS A 64 -1.588 8.546 -2.718 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.813 8.084 -5.614 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.313 8.170 -5.896 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.663 9.045 -7.118 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.047 8.520 -8.431 1.00 0.00 C ATOM 1036 NZ LYS A 64 -2.742 9.145 -8.770 1.00 0.00 N ATOM 0 H LYS A 64 -0.381 8.352 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.707 10.201 -5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.291 7.930 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.626 7.203 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.702 7.165 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.817 8.571 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.747 9.093 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.315 10.063 -6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.914 7.441 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.748 8.697 -9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.878 9.841 -9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.356 9.621 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.077 8.411 -9.087 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.339 9.926 -2.872 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.606 9.877 -1.432 1.00 0.00 C ATOM 1052 C LYS A 65 -4.242 8.536 -1.033 1.00 0.00 C ATOM 1053 O LYS A 65 -5.022 8.005 -1.819 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.349 11.154 -0.994 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.604 12.457 -1.384 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.071 12.492 -1.174 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.638 12.405 0.298 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.204 12.065 0.448 1.00 0.00 N ATOM 0 H LYS A 65 -3.958 10.541 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.678 9.891 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.342 11.162 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.489 11.133 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.804 12.657 -2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.041 13.278 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.621 11.665 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.677 13.413 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.835 13.358 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.242 11.654 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.105 11.254 1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.194 11.820 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.307 12.882 0.839 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.166 8.100 0.236 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.628 6.789 0.700 1.00 0.00 C ATOM 1074 C PRO A 66 -6.124 6.586 0.523 1.00 0.00 C ATOM 1075 O PRO A 66 -6.558 5.549 0.027 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.219 6.687 2.177 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.916 8.126 2.572 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.368 8.700 1.277 1.00 0.00 C ATOM 0 HA PRO A 66 -4.171 6.001 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.019 6.266 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.348 6.045 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.809 8.654 2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.190 8.182 3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.451 9.787 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.312 8.459 1.154 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.917 7.564 0.961 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.368 7.472 0.921 1.00 0.00 C ATOM 1088 C GLN A 67 -8.850 7.309 -0.527 1.00 0.00 C ATOM 1089 O GLN A 67 -9.811 6.583 -0.764 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.947 8.729 1.596 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.389 8.547 2.085 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.472 7.562 3.255 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.695 7.632 4.209 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.394 6.619 3.199 1.00 0.00 N ATOM 0 H GLN A 67 -6.568 8.439 1.352 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.717 6.593 1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.316 9.002 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.912 9.560 0.891 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.793 9.512 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.009 8.189 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.030 6.574 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.471 5.935 3.952 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.147 7.928 -1.484 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.461 7.809 -2.898 1.00 0.00 C ATOM 1105 C ALA A 68 -7.938 6.481 -3.447 1.00 0.00 C ATOM 1106 O ALA A 68 -8.637 5.855 -4.235 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.855 8.988 -3.668 1.00 0.00 C ATOM 0 H ALA A 68 -7.343 8.525 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.543 7.829 -3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.094 8.892 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.267 9.922 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.773 8.989 -3.539 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.752 6.026 -3.016 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.180 4.758 -3.473 1.00 0.00 C ATOM 1115 C ILE A 69 -7.172 3.616 -3.245 1.00 0.00 C ATOM 1116 O ILE A 69 -7.480 2.877 -4.177 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.825 4.500 -2.765 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.766 5.471 -3.316 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.386 3.028 -2.915 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.491 5.592 -2.477 1.00 0.00 C ATOM 0 H ILE A 69 -6.168 6.526 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.987 4.813 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.941 4.683 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.491 5.151 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.216 6.460 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.433 2.879 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.139 2.377 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.276 2.787 -3.972 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.810 6.299 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.745 5.946 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.009 4.617 -2.405 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.654 3.465 -2.010 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.580 2.405 -1.630 1.00 0.00 C ATOM 1134 C CYS A 70 -9.861 2.466 -2.459 1.00 0.00 C ATOM 1135 O CYS A 70 -10.384 1.412 -2.810 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.873 2.536 -0.135 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.373 2.364 0.866 1.00 0.00 S ATOM 0 H CYS A 70 -7.407 4.085 -1.239 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.129 1.433 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.331 3.505 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.596 1.776 0.161 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.366 3.668 -2.745 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.555 3.856 -3.569 1.00 0.00 C ATOM 1144 C VAL A 71 -11.297 3.429 -5.026 1.00 0.00 C ATOM 1145 O VAL A 71 -12.131 2.731 -5.607 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.068 5.303 -3.370 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.015 5.843 -4.453 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.779 5.393 -2.005 1.00 0.00 C ATOM 0 H VAL A 71 -9.958 4.540 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.365 3.198 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.178 5.929 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.307 6.864 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.507 5.835 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.904 5.214 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.146 6.408 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.618 4.697 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.077 5.137 -1.211 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.143 3.779 -5.608 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.777 3.415 -6.984 1.00 0.00 C ATOM 1160 C ASP A 72 -9.742 1.896 -7.137 1.00 0.00 C ATOM 1161 O ASP A 72 -10.425 1.316 -7.986 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.405 4.002 -7.356 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.061 3.799 -8.842 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.992 2.632 -9.307 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.728 4.808 -9.493 1.00 0.00 O ATOM 0 H ASP A 72 -9.428 4.329 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.530 3.828 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.395 5.067 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.635 3.536 -6.741 1.00 0.00 H new ATOM 1170 N ILE A 73 -8.968 1.229 -6.276 1.00 0.00 N ATOM 1171 CA ILE A 73 -8.772 -0.219 -6.366 1.00 0.00 C ATOM 1172 C ILE A 73 -9.964 -0.998 -5.781 1.00 0.00 C ATOM 1173 O ILE A 73 -9.979 -2.226 -5.828 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.403 -0.619 -5.805 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.366 -0.477 -4.279 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.295 0.207 -6.483 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -5.965 -0.684 -3.721 1.00 0.00 C ATOM 0 H ILE A 73 -8.466 1.672 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.753 -0.508 -7.417 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.226 -1.671 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.725 0.513 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.046 -1.202 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.325 -0.084 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.310 0.023 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.464 1.267 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.985 -0.574 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.615 -1.684 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.290 0.058 -4.148 1.00 0.00 H new ATOM 1189 N LYS A 74 -10.951 -0.263 -5.268 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.251 -0.606 -4.763 1.00 0.00 C ATOM 1191 C LYS A 74 -12.216 -1.542 -3.555 1.00 0.00 C ATOM 1192 O LYS A 74 -12.324 -2.763 -3.673 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.060 -1.030 -5.992 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.527 -1.013 -5.624 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.494 -1.147 -6.803 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.295 -0.089 -7.909 1.00 0.00 C ATOM 1197 NZ LYS A 74 -15.255 1.305 -7.404 1.00 0.00 N ATOM 0 H LYS A 74 -10.816 0.745 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.766 0.232 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.869 -0.352 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.762 -2.027 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.719 -1.825 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.744 -0.082 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.381 -2.139 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.516 -1.078 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.366 -0.301 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.103 -0.179 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.170 1.962 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.129 1.509 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.437 1.422 -6.772 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.006 -0.946 -2.379 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.806 -1.628 -1.100 1.00 0.00 C ATOM 1213 C ILE A 75 -12.496 -0.908 0.071 1.00 0.00 C ATOM 1214 O ILE A 75 -12.744 -1.536 1.100 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.276 -1.721 -0.855 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.604 -2.648 -1.896 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.894 -2.206 0.559 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.093 -2.801 -1.702 1.00 0.00 C ATOM 0 H ILE A 75 -11.969 0.069 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.259 -2.618 -1.151 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.912 -0.699 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.069 -3.633 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.795 -2.256 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.808 -2.244 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.297 -1.517 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.307 -3.201 0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.693 -3.465 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.615 -1.825 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.894 -3.223 -0.717 1.00 0.00 H new