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 23 ASN : amide:sc= 1.04 K(o=2.3,f=-1.7) USER MOD Set 1.2: A 26 THR OG1 : rot 144:sc= 1.24 USER MOD Set 2.1: A 17 MET CE :methyl 172:sc= -0.0553 (180deg=-0.172) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.936) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 90:sc= 1.09 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 0.567 (180deg=-0.0126) USER MOD Single : A 12 GLN : amide:sc= 1.09 K(o=1.1,f=-7.4!) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0.274 (180deg=0.0164) USER MOD Single : A 21 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.0013) USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= 1.13 K(o=1.1,f=-0.011) USER MOD Single : A 32 SER OG : rot -76:sc= 0.791 USER MOD Single : A 33 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.27) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0.824 (180deg=-0.175) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.431 (180deg=0.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 150:sc= -0.0532 (180deg=-0.21) USER MOD Single : A 51 SER OG : rot -97:sc= 0.652 USER MOD Single : A 57 SER OG : rot -156:sc= 1.27 USER MOD Single : A 62 THR OG1 : rot -76:sc= 1.24 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.868 (180deg=0.359) USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= 1.25 (180deg=0.27) USER MOD Single : A 67 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.34) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.083 -2.236 6.829 1.00 0.00 N ATOM 11 CA TYR A 2 -13.837 -2.293 7.624 1.00 0.00 C ATOM 12 C TYR A 2 -12.576 -2.176 6.758 1.00 0.00 C ATOM 13 O TYR A 2 -11.545 -1.659 7.200 1.00 0.00 O ATOM 14 CB TYR A 2 -13.835 -3.619 8.412 1.00 0.00 C ATOM 15 CG TYR A 2 -12.533 -4.019 9.099 1.00 0.00 C ATOM 16 CD1 TYR A 2 -11.935 -3.189 10.068 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.930 -5.254 8.782 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.747 -3.589 10.710 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.747 -5.664 9.426 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.146 -4.831 10.398 1.00 0.00 C ATOM 21 OH TYR A 2 -9.018 -5.228 11.049 1.00 0.00 O ATOM 0 HA TYR A 2 -13.815 -1.439 8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.614 -3.562 9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.116 -4.419 7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.390 -2.242 10.319 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.381 -5.892 8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.292 -2.943 11.446 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.299 -6.615 9.178 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.738 -6.105 10.714 1.00 0.00 H new ATOM 31 N PHE A 3 -12.672 -2.630 5.510 1.00 0.00 N ATOM 32 CA PHE A 3 -11.641 -2.495 4.505 1.00 0.00 C ATOM 33 C PHE A 3 -11.107 -1.073 4.359 1.00 0.00 C ATOM 34 O PHE A 3 -9.895 -0.955 4.201 1.00 0.00 O ATOM 35 CB PHE A 3 -12.146 -3.048 3.170 1.00 0.00 C ATOM 36 CG PHE A 3 -12.085 -4.551 2.956 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.793 -5.463 3.994 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.253 -5.029 1.644 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.660 -6.833 3.708 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.116 -6.395 1.357 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.809 -7.294 2.388 1.00 0.00 C ATOM 0 H PHE A 3 -13.500 -3.117 5.168 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.787 -3.083 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.183 -2.734 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.574 -2.573 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.672 -5.108 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.490 -4.337 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.443 -7.532 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.246 -6.753 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.687 -8.344 2.168 1.00 0.00 H new ATOM 51 N CYS A 4 -11.932 -0.017 4.440 1.00 0.00 N ATOM 52 CA CYS A 4 -11.445 1.332 4.166 1.00 0.00 C ATOM 53 C CYS A 4 -10.285 1.719 5.084 1.00 0.00 C ATOM 54 O CYS A 4 -9.202 2.030 4.589 1.00 0.00 O ATOM 55 CB CYS A 4 -12.542 2.404 4.317 1.00 0.00 C ATOM 56 SG CYS A 4 -11.842 4.078 4.138 1.00 0.00 S ATOM 0 H CYS A 4 -12.920 -0.074 4.688 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.110 1.303 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.316 2.247 3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.019 2.307 5.292 1.00 0.00 H new ATOM 0 HG CYS A 4 -12.788 4.960 4.268 1.00 0.00 H new ATOM 61 N GLU A 5 -10.511 1.748 6.404 1.00 0.00 N ATOM 62 CA GLU A 5 -9.503 2.229 7.344 1.00 0.00 C ATOM 63 C GLU A 5 -8.303 1.295 7.249 1.00 0.00 C ATOM 64 O GLU A 5 -7.185 1.767 7.080 1.00 0.00 O ATOM 65 CB GLU A 5 -10.044 2.385 8.774 1.00 0.00 C ATOM 66 CG GLU A 5 -9.196 3.355 9.629 1.00 0.00 C ATOM 67 CD GLU A 5 -7.732 2.971 9.852 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.463 1.798 10.193 1.00 0.00 O ATOM 69 OE2 GLU A 5 -6.843 3.864 9.809 1.00 0.00 O ATOM 0 H GLU A 5 -11.382 1.444 6.839 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.197 3.240 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.071 2.747 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.070 1.408 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.222 4.337 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.674 3.457 10.603 1.00 0.00 H new ATOM 76 N SER A 6 -8.539 -0.017 7.296 1.00 0.00 N ATOM 77 CA SER A 6 -7.503 -1.030 7.161 1.00 0.00 C ATOM 78 C SER A 6 -6.603 -0.766 5.941 1.00 0.00 C ATOM 79 O SER A 6 -5.379 -0.743 6.065 1.00 0.00 O ATOM 80 CB SER A 6 -8.177 -2.400 7.059 1.00 0.00 C ATOM 81 OG SER A 6 -9.087 -2.626 8.116 1.00 0.00 O ATOM 0 H SER A 6 -9.472 -0.407 7.431 1.00 0.00 H new ATOM 0 HA SER A 6 -6.855 -0.998 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.702 -2.475 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.415 -3.179 7.065 1.00 0.00 H new ATOM 0 HG SER A 6 -9.976 -2.305 7.857 1.00 0.00 H new ATOM 87 N CYS A 7 -7.195 -0.542 4.767 1.00 0.00 N ATOM 88 CA CYS A 7 -6.513 -0.204 3.526 1.00 0.00 C ATOM 89 C CYS A 7 -5.738 1.102 3.665 1.00 0.00 C ATOM 90 O CYS A 7 -4.550 1.148 3.346 1.00 0.00 O ATOM 91 CB CYS A 7 -7.550 -0.127 2.406 1.00 0.00 C ATOM 92 SG CYS A 7 -6.909 0.306 0.770 1.00 0.00 S ATOM 0 H CYS A 7 -8.207 -0.595 4.655 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.782 -0.976 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.053 -1.091 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.306 0.607 2.686 1.00 0.00 H new ATOM 97 N ARG A 8 -6.386 2.156 4.168 1.00 0.00 N ATOM 98 CA ARG A 8 -5.742 3.431 4.450 1.00 0.00 C ATOM 99 C ARG A 8 -4.515 3.203 5.324 1.00 0.00 C ATOM 100 O ARG A 8 -3.465 3.735 5.000 1.00 0.00 O ATOM 101 CB ARG A 8 -6.774 4.418 5.034 1.00 0.00 C ATOM 102 CG ARG A 8 -6.184 5.711 5.626 1.00 0.00 C ATOM 103 CD ARG A 8 -5.989 5.601 7.148 1.00 0.00 C ATOM 104 NE ARG A 8 -5.207 6.728 7.679 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.127 7.106 8.958 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.788 6.451 9.914 1.00 0.00 N ATOM 107 NH2 ARG A 8 -4.358 8.149 9.253 1.00 0.00 N ATOM 0 H ARG A 8 -7.381 2.143 4.391 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.373 3.896 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.481 4.687 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.341 3.907 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.227 5.925 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.845 6.548 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.962 5.570 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.484 4.664 7.383 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.673 7.275 7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.367 5.646 9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.714 6.755 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.851 8.635 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.275 8.464 10.220 1.00 0.00 H new ATOM 121 N LYS A 9 -4.613 2.429 6.402 1.00 0.00 N ATOM 122 CA LYS A 9 -3.520 2.162 7.325 1.00 0.00 C ATOM 123 C LYS A 9 -2.388 1.418 6.615 1.00 0.00 C ATOM 124 O LYS A 9 -1.232 1.788 6.811 1.00 0.00 O ATOM 125 CB LYS A 9 -4.088 1.407 8.539 1.00 0.00 C ATOM 126 CG LYS A 9 -3.051 1.220 9.654 1.00 0.00 C ATOM 127 CD LYS A 9 -3.652 0.601 10.929 1.00 0.00 C ATOM 128 CE LYS A 9 -4.127 1.618 11.983 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.337 2.368 11.600 1.00 0.00 N ATOM 0 H LYS A 9 -5.480 1.959 6.662 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.076 3.089 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.946 1.952 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.451 0.431 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.245 0.582 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.608 2.186 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.496 -0.028 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.907 -0.051 11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.321 1.091 12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.321 2.326 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.784 2.764 12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.077 3.140 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.005 1.729 11.124 1.00 0.00 H new ATOM 143 N ILE A 10 -2.713 0.411 5.795 1.00 0.00 N ATOM 144 CA ILE A 10 -1.753 -0.312 4.963 1.00 0.00 C ATOM 145 C ILE A 10 -0.976 0.691 4.119 1.00 0.00 C ATOM 146 O ILE A 10 0.249 0.734 4.226 1.00 0.00 O ATOM 147 CB ILE A 10 -2.436 -1.430 4.139 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.871 -2.572 5.080 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.499 -2.020 3.067 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.971 -3.437 4.461 1.00 0.00 C ATOM 0 H ILE A 10 -3.670 0.072 5.692 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.036 -0.837 5.594 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.294 -0.981 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.009 -3.196 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.227 -2.151 6.020 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.023 -2.800 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.192 -1.232 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.618 -2.445 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.247 -4.229 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.844 -2.819 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.607 -3.880 3.534 1.00 0.00 H new ATOM 162 N ILE A 11 -1.663 1.484 3.292 1.00 0.00 N ATOM 163 CA ILE A 11 -0.972 2.426 2.426 1.00 0.00 C ATOM 164 C ILE A 11 -0.213 3.451 3.260 1.00 0.00 C ATOM 165 O ILE A 11 0.936 3.687 2.945 1.00 0.00 O ATOM 166 CB ILE A 11 -1.892 3.025 1.359 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.021 1.960 0.241 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.346 4.318 0.727 1.00 0.00 C ATOM 169 CD1 ILE A 11 -3.471 1.753 -0.112 1.00 0.00 C ATOM 0 H ILE A 11 -2.680 1.489 3.208 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.222 1.886 1.848 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.839 3.284 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.466 2.279 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.581 1.019 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.051 4.684 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.213 5.073 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.387 4.113 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.550 1.003 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.015 1.414 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.898 2.693 -0.463 1.00 0.00 H new ATOM 181 N GLN A 12 -0.782 4.024 4.320 1.00 0.00 N ATOM 182 CA GLN A 12 -0.138 5.097 5.076 1.00 0.00 C ATOM 183 C GLN A 12 1.226 4.683 5.603 1.00 0.00 C ATOM 184 O GLN A 12 2.179 5.435 5.445 1.00 0.00 O ATOM 185 CB GLN A 12 -1.020 5.549 6.244 1.00 0.00 C ATOM 186 CG GLN A 12 -2.235 6.340 5.756 1.00 0.00 C ATOM 187 CD GLN A 12 -2.111 7.839 6.000 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.843 8.365 6.842 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.248 8.539 5.280 1.00 0.00 N ATOM 0 H GLN A 12 -1.699 3.758 4.678 1.00 0.00 H new ATOM 0 HA GLN A 12 0.001 5.928 4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.354 4.678 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.434 6.164 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.372 6.162 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.128 5.969 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.658 8.070 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.173 9.547 5.413 1.00 0.00 H new ATOM 198 N LYS A 13 1.347 3.511 6.236 1.00 0.00 N ATOM 199 CA LYS A 13 2.654 3.094 6.742 1.00 0.00 C ATOM 200 C LYS A 13 3.618 2.812 5.585 1.00 0.00 C ATOM 201 O LYS A 13 4.823 2.938 5.782 1.00 0.00 O ATOM 202 CB LYS A 13 2.502 1.908 7.704 1.00 0.00 C ATOM 203 CG LYS A 13 3.740 1.597 8.568 1.00 0.00 C ATOM 204 CD LYS A 13 4.190 2.745 9.498 1.00 0.00 C ATOM 205 CE LYS A 13 5.361 3.531 8.892 1.00 0.00 C ATOM 206 NZ LYS A 13 5.827 4.656 9.734 1.00 0.00 N ATOM 0 H LYS A 13 0.584 2.856 6.405 1.00 0.00 H new ATOM 0 HA LYS A 13 3.095 3.908 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.658 2.104 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.253 1.020 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.528 0.718 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.569 1.337 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.352 3.419 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.485 2.337 10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.194 2.849 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.061 3.919 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.680 5.075 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.080 5.377 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.049 4.307 10.688 1.00 0.00 H new ATOM 220 N LEU A 14 3.106 2.396 4.422 1.00 0.00 N ATOM 221 CA LEU A 14 3.910 2.134 3.231 1.00 0.00 C ATOM 222 C LEU A 14 4.450 3.480 2.735 1.00 0.00 C ATOM 223 O LEU A 14 5.648 3.636 2.567 1.00 0.00 O ATOM 224 CB LEU A 14 3.025 1.472 2.151 1.00 0.00 C ATOM 225 CG LEU A 14 3.757 0.668 1.069 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.700 0.270 0.030 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.949 1.354 0.410 1.00 0.00 C ATOM 0 H LEU A 14 2.109 2.231 4.283 1.00 0.00 H new ATOM 0 HA LEU A 14 4.737 1.459 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.317 0.810 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.442 2.252 1.661 1.00 0.00 H new ATOM 0 HG LEU A 14 4.219 -0.191 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.171 -0.307 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.929 -0.334 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.248 1.168 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.384 0.690 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.619 2.274 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.697 1.589 1.167 1.00 0.00 H new ATOM 239 N GLU A 15 3.544 4.430 2.517 1.00 0.00 N ATOM 240 CA GLU A 15 3.676 5.777 1.978 1.00 0.00 C ATOM 241 C GLU A 15 4.686 6.574 2.803 1.00 0.00 C ATOM 242 O GLU A 15 5.600 7.176 2.250 1.00 0.00 O ATOM 243 CB GLU A 15 2.238 6.357 2.011 1.00 0.00 C ATOM 244 CG GLU A 15 1.955 7.729 1.386 1.00 0.00 C ATOM 245 CD GLU A 15 0.560 8.304 1.756 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.078 7.873 2.752 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.095 9.219 1.028 1.00 0.00 O ATOM 0 H GLU A 15 2.568 4.244 2.747 1.00 0.00 H new ATOM 0 HA GLU A 15 4.066 5.809 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.585 5.635 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.931 6.406 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.725 8.431 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.029 7.648 0.302 1.00 0.00 H new ATOM 254 N ASP A 16 4.542 6.525 4.125 1.00 0.00 N ATOM 255 CA ASP A 16 5.452 7.096 5.114 1.00 0.00 C ATOM 256 C ASP A 16 6.861 6.536 4.942 1.00 0.00 C ATOM 257 O ASP A 16 7.810 7.307 4.843 1.00 0.00 O ATOM 258 CB ASP A 16 4.837 6.768 6.488 1.00 0.00 C ATOM 259 CG ASP A 16 5.726 6.799 7.731 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.793 6.146 7.776 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.131 7.049 8.806 1.00 0.00 O ATOM 0 H ASP A 16 3.744 6.061 4.558 1.00 0.00 H new ATOM 0 HA ASP A 16 5.562 8.175 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.016 7.466 6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.400 5.772 6.422 1.00 0.00 H new ATOM 266 N MET A 17 6.998 5.208 4.873 1.00 0.00 N ATOM 267 CA MET A 17 8.308 4.580 4.811 1.00 0.00 C ATOM 268 C MET A 17 8.981 4.795 3.462 1.00 0.00 C ATOM 269 O MET A 17 10.176 5.067 3.427 1.00 0.00 O ATOM 270 CB MET A 17 8.201 3.077 5.108 1.00 0.00 C ATOM 271 CG MET A 17 8.125 2.826 6.617 1.00 0.00 C ATOM 272 SD MET A 17 7.793 1.116 7.164 1.00 0.00 S ATOM 273 CE MET A 17 8.711 0.135 5.937 1.00 0.00 C ATOM 0 H MET A 17 6.215 4.554 4.859 1.00 0.00 H new ATOM 0 HA MET A 17 8.927 5.055 5.572 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.316 2.667 4.621 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.063 2.557 4.691 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.068 3.145 7.060 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.346 3.469 7.027 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.710 -0.913 6.235 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.235 0.235 4.961 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.738 0.495 5.878 1.00 0.00 H new ATOM 283 N VAL A 18 8.279 4.510 2.362 1.00 0.00 N ATOM 284 CA VAL A 18 8.823 4.680 1.023 1.00 0.00 C ATOM 285 C VAL A 18 9.171 6.155 0.746 1.00 0.00 C ATOM 286 O VAL A 18 10.059 6.446 -0.054 1.00 0.00 O ATOM 287 CB VAL A 18 7.892 4.014 -0.003 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.683 4.856 -0.417 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.695 3.468 -1.179 1.00 0.00 C ATOM 0 H VAL A 18 7.322 4.157 2.380 1.00 0.00 H new ATOM 0 HA VAL A 18 9.778 4.164 0.931 1.00 0.00 H new ATOM 0 HB VAL A 18 7.429 3.167 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.086 4.303 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.075 5.076 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.025 5.789 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.019 3.000 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.230 4.284 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.411 2.729 -0.819 1.00 0.00 H new ATOM 299 N GLY A 19 8.446 7.076 1.390 1.00 0.00 N ATOM 300 CA GLY A 19 8.578 8.511 1.254 1.00 0.00 C ATOM 301 C GLY A 19 7.812 9.045 0.036 1.00 0.00 C ATOM 302 O GLY A 19 7.272 8.281 -0.768 1.00 0.00 O ATOM 0 H GLY A 19 7.716 6.815 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.208 8.996 2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.632 8.771 1.162 1.00 0.00 H new ATOM 306 N PRO A 20 7.748 10.378 -0.131 1.00 0.00 N ATOM 307 CA PRO A 20 6.940 11.021 -1.165 1.00 0.00 C ATOM 308 C PRO A 20 7.528 11.060 -2.578 1.00 0.00 C ATOM 309 O PRO A 20 6.867 11.556 -3.493 1.00 0.00 O ATOM 310 CB PRO A 20 6.673 12.424 -0.609 1.00 0.00 C ATOM 311 CG PRO A 20 7.966 12.732 0.149 1.00 0.00 C ATOM 312 CD PRO A 20 8.327 11.377 0.757 1.00 0.00 C ATOM 0 HA PRO A 20 6.041 10.430 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.487 13.147 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.804 12.441 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.748 13.099 -0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.815 13.493 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.408 11.256 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.927 11.282 1.766 1.00 0.00 H new ATOM 320 N GLN A 21 8.733 10.538 -2.769 1.00 0.00 N ATOM 321 CA GLN A 21 9.392 10.394 -4.069 1.00 0.00 C ATOM 322 C GLN A 21 10.032 8.998 -4.168 1.00 0.00 C ATOM 323 O GLN A 21 11.255 8.882 -4.118 1.00 0.00 O ATOM 324 CB GLN A 21 10.427 11.518 -4.302 1.00 0.00 C ATOM 325 CG GLN A 21 9.839 12.901 -4.628 1.00 0.00 C ATOM 326 CD GLN A 21 9.456 13.732 -3.404 1.00 0.00 C ATOM 327 OE1 GLN A 21 10.280 14.065 -2.565 1.00 0.00 O ATOM 328 NE2 GLN A 21 8.200 14.126 -3.281 1.00 0.00 N ATOM 0 H GLN A 21 9.302 10.190 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 21 8.646 10.490 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.048 11.607 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.084 11.220 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.565 13.460 -5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.955 12.768 -5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.509 13.851 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.922 14.705 -2.489 1.00 0.00 H new ATOM 337 N PRO A 22 9.236 7.920 -4.258 1.00 0.00 N ATOM 338 CA PRO A 22 9.758 6.565 -4.331 1.00 0.00 C ATOM 339 C PRO A 22 9.961 6.114 -5.788 1.00 0.00 C ATOM 340 O PRO A 22 9.633 6.823 -6.740 1.00 0.00 O ATOM 341 CB PRO A 22 8.673 5.754 -3.640 1.00 0.00 C ATOM 342 CG PRO A 22 7.400 6.399 -4.166 1.00 0.00 C ATOM 343 CD PRO A 22 7.777 7.881 -4.224 1.00 0.00 C ATOM 0 HA PRO A 22 10.739 6.455 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.729 4.696 -3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.744 5.821 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.125 6.012 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.552 6.222 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.353 8.358 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.392 8.417 -3.356 1.00 0.00 H new ATOM 351 N ASN A 23 10.387 4.864 -5.961 1.00 0.00 N ATOM 352 CA ASN A 23 10.539 4.167 -7.235 1.00 0.00 C ATOM 353 C ASN A 23 10.026 2.742 -7.027 1.00 0.00 C ATOM 354 O ASN A 23 10.060 2.226 -5.912 1.00 0.00 O ATOM 355 CB ASN A 23 12.000 4.175 -7.719 1.00 0.00 C ATOM 356 CG ASN A 23 12.929 3.463 -6.745 1.00 0.00 C ATOM 357 OD1 ASN A 23 13.136 3.939 -5.638 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.489 2.314 -7.094 1.00 0.00 N ATOM 0 H ASN A 23 10.650 4.277 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 23 9.967 4.671 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.061 3.694 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.333 5.205 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.096 1.822 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.313 1.921 -8.019 1.00 0.00 H new ATOM 365 N GLU A 24 9.553 2.120 -8.108 1.00 0.00 N ATOM 366 CA GLU A 24 8.881 0.817 -8.173 1.00 0.00 C ATOM 367 C GLU A 24 9.475 -0.290 -7.288 1.00 0.00 C ATOM 368 O GLU A 24 8.711 -1.006 -6.633 1.00 0.00 O ATOM 369 CB GLU A 24 8.887 0.407 -9.656 1.00 0.00 C ATOM 370 CG GLU A 24 8.083 -0.854 -10.013 1.00 0.00 C ATOM 371 CD GLU A 24 6.594 -0.563 -10.197 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.230 0.092 -11.198 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.764 -1.006 -9.377 1.00 0.00 O ATOM 0 H GLU A 24 9.635 2.544 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 24 7.877 0.934 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.499 1.239 -10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.921 0.254 -9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.482 -1.288 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.211 -1.598 -9.226 1.00 0.00 H new ATOM 380 N ASP A 25 10.805 -0.408 -7.211 1.00 0.00 N ATOM 381 CA ASP A 25 11.426 -1.415 -6.348 1.00 0.00 C ATOM 382 C ASP A 25 11.202 -1.041 -4.892 1.00 0.00 C ATOM 383 O ASP A 25 10.621 -1.820 -4.144 1.00 0.00 O ATOM 384 CB ASP A 25 12.924 -1.599 -6.594 1.00 0.00 C ATOM 385 CG ASP A 25 13.440 -2.594 -5.546 1.00 0.00 C ATOM 386 OD1 ASP A 25 13.136 -3.795 -5.703 1.00 0.00 O ATOM 387 OD2 ASP A 25 14.043 -2.129 -4.553 1.00 0.00 O ATOM 0 H ASP A 25 11.464 0.174 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 25 10.949 -2.365 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.105 -1.974 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.447 -0.646 -6.510 1.00 0.00 H new ATOM 392 N THR A 26 11.588 0.175 -4.506 1.00 0.00 N ATOM 393 CA THR A 26 11.485 0.672 -3.146 1.00 0.00 C ATOM 394 C THR A 26 10.045 0.533 -2.651 1.00 0.00 C ATOM 395 O THR A 26 9.834 0.114 -1.515 1.00 0.00 O ATOM 396 CB THR A 26 12.010 2.116 -3.094 1.00 0.00 C ATOM 397 OG1 THR A 26 13.259 2.143 -3.755 1.00 0.00 O ATOM 398 CG2 THR A 26 12.285 2.589 -1.664 1.00 0.00 C ATOM 0 H THR A 26 11.990 0.854 -5.152 1.00 0.00 H new ATOM 0 HA THR A 26 12.103 0.081 -2.470 1.00 0.00 H new ATOM 0 HB THR A 26 11.254 2.757 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.357 2.992 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.654 3.615 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.364 2.546 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.034 1.943 -1.205 1.00 0.00 H new ATOM 406 N VAL A 27 9.041 0.798 -3.497 1.00 0.00 N ATOM 407 CA VAL A 27 7.647 0.564 -3.132 1.00 0.00 C ATOM 408 C VAL A 27 7.431 -0.930 -2.862 1.00 0.00 C ATOM 409 O VAL A 27 6.858 -1.286 -1.834 1.00 0.00 O ATOM 410 CB VAL A 27 6.660 1.091 -4.197 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.236 1.021 -3.625 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.890 2.549 -4.624 1.00 0.00 C ATOM 0 H VAL A 27 9.173 1.174 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 27 7.438 1.127 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 27 6.815 0.462 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.528 1.390 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.995 -0.012 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.174 1.635 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.150 2.830 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.793 3.202 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.890 2.651 -5.045 1.00 0.00 H new ATOM 422 N THR A 28 7.873 -1.810 -3.757 1.00 0.00 N ATOM 423 CA THR A 28 7.731 -3.255 -3.640 1.00 0.00 C ATOM 424 C THR A 28 8.384 -3.793 -2.354 1.00 0.00 C ATOM 425 O THR A 28 7.740 -4.561 -1.622 1.00 0.00 O ATOM 426 CB THR A 28 8.269 -3.903 -4.930 1.00 0.00 C ATOM 427 OG1 THR A 28 7.514 -3.419 -6.026 1.00 0.00 O ATOM 428 CG2 THR A 28 8.146 -5.428 -4.912 1.00 0.00 C ATOM 0 H THR A 28 8.355 -1.526 -4.610 1.00 0.00 H new ATOM 0 HA THR A 28 6.679 -3.523 -3.541 1.00 0.00 H new ATOM 0 HB THR A 28 9.325 -3.646 -5.012 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.919 -2.593 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.539 -5.836 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.714 -5.829 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.098 -5.707 -4.807 1.00 0.00 H new ATOM 436 N GLN A 29 9.621 -3.404 -2.030 1.00 0.00 N ATOM 437 CA GLN A 29 10.273 -3.845 -0.799 1.00 0.00 C ATOM 438 C GLN A 29 9.586 -3.215 0.421 1.00 0.00 C ATOM 439 O GLN A 29 9.198 -3.938 1.346 1.00 0.00 O ATOM 440 CB GLN A 29 11.799 -3.648 -0.825 1.00 0.00 C ATOM 441 CG GLN A 29 12.310 -2.274 -1.260 1.00 0.00 C ATOM 442 CD GLN A 29 13.775 -2.076 -0.882 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.097 -1.990 0.298 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.674 -1.996 -1.847 1.00 0.00 N ATOM 0 H GLN A 29 10.190 -2.783 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 29 10.147 -4.925 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.185 -3.853 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.227 -4.396 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.194 -2.166 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.705 -1.496 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.384 -2.070 -2.822 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.658 -1.860 -1.617 1.00 0.00 H new ATOM 453 N ALA A 30 9.328 -1.902 0.408 1.00 0.00 N ATOM 454 CA ALA A 30 8.677 -1.210 1.514 1.00 0.00 C ATOM 455 C ALA A 30 7.298 -1.799 1.803 1.00 0.00 C ATOM 456 O ALA A 30 6.921 -1.864 2.964 1.00 0.00 O ATOM 457 CB ALA A 30 8.568 0.294 1.243 1.00 0.00 C ATOM 0 H ALA A 30 9.567 -1.293 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 30 9.301 -1.353 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.078 0.781 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.566 0.713 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.983 0.459 0.338 1.00 0.00 H new ATOM 463 N ALA A 31 6.557 -2.257 0.789 1.00 0.00 N ATOM 464 CA ALA A 31 5.244 -2.891 0.871 1.00 0.00 C ATOM 465 C ALA A 31 5.335 -4.351 1.323 1.00 0.00 C ATOM 466 O ALA A 31 4.543 -4.806 2.151 1.00 0.00 O ATOM 467 CB ALA A 31 4.577 -2.838 -0.506 1.00 0.00 C ATOM 0 H ALA A 31 6.884 -2.188 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 31 4.658 -2.347 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.596 -3.310 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.464 -1.799 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.196 -3.368 -1.231 1.00 0.00 H new ATOM 473 N SER A 32 6.214 -5.165 0.737 1.00 0.00 N ATOM 474 CA SER A 32 6.403 -6.525 1.246 1.00 0.00 C ATOM 475 C SER A 32 6.742 -6.499 2.739 1.00 0.00 C ATOM 476 O SER A 32 6.233 -7.360 3.469 1.00 0.00 O ATOM 477 CB SER A 32 7.365 -7.329 0.366 1.00 0.00 C ATOM 478 OG SER A 32 8.549 -6.628 0.098 1.00 0.00 O ATOM 0 H SER A 32 6.791 -4.918 -0.067 1.00 0.00 H new ATOM 0 HA SER A 32 5.464 -7.074 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.606 -8.270 0.860 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.872 -7.579 -0.574 1.00 0.00 H new ATOM 0 HG SER A 32 8.376 -5.940 -0.578 1.00 0.00 H new ATOM 484 N GLN A 33 7.386 -5.424 3.204 1.00 0.00 N ATOM 485 CA GLN A 33 7.653 -5.192 4.607 1.00 0.00 C ATOM 486 C GLN A 33 6.482 -4.455 5.251 1.00 0.00 C ATOM 487 O GLN A 33 6.253 -4.700 6.430 1.00 0.00 O ATOM 488 CB GLN A 33 8.930 -4.346 4.771 1.00 0.00 C ATOM 489 CG GLN A 33 10.201 -5.196 4.662 1.00 0.00 C ATOM 490 CD GLN A 33 10.259 -6.193 5.820 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.212 -5.814 6.983 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.268 -7.486 5.538 1.00 0.00 N ATOM 0 H GLN A 33 7.738 -4.684 2.597 1.00 0.00 H new ATOM 0 HA GLN A 33 7.789 -6.157 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.949 -3.567 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.911 -3.845 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.213 -5.728 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.081 -4.554 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.307 -7.796 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.236 -8.173 6.292 1.00 0.00 H new ATOM 501 N VAL A 34 5.687 -3.645 4.535 1.00 0.00 N ATOM 502 CA VAL A 34 4.626 -2.853 5.158 1.00 0.00 C ATOM 503 C VAL A 34 3.667 -3.852 5.804 1.00 0.00 C ATOM 504 O VAL A 34 3.205 -3.659 6.926 1.00 0.00 O ATOM 505 CB VAL A 34 3.844 -1.910 4.212 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.687 -2.440 3.345 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.315 -0.765 5.040 1.00 0.00 C ATOM 0 H VAL A 34 5.762 -3.524 3.525 1.00 0.00 H new ATOM 0 HA VAL A 34 5.098 -2.175 5.869 1.00 0.00 H new ATOM 0 HB VAL A 34 4.595 -1.665 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.271 -1.624 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.059 -3.217 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.911 -2.855 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.758 -0.081 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.657 -1.152 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.148 -0.234 5.501 1.00 0.00 H new ATOM 517 N CYS A 35 3.421 -4.959 5.093 1.00 0.00 N ATOM 518 CA CYS A 35 2.545 -6.009 5.539 1.00 0.00 C ATOM 519 C CYS A 35 3.150 -6.742 6.721 1.00 0.00 C ATOM 520 O CYS A 35 2.432 -6.952 7.693 1.00 0.00 O ATOM 521 CB CYS A 35 2.305 -7.020 4.422 1.00 0.00 C ATOM 522 SG CYS A 35 1.641 -6.394 2.859 1.00 0.00 S ATOM 0 H CYS A 35 3.839 -5.138 4.180 1.00 0.00 H new ATOM 0 HA CYS A 35 1.602 -5.548 5.831 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.251 -7.519 4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.621 -7.781 4.798 1.00 0.00 H new ATOM 527 N ASP A 36 4.382 -7.264 6.613 1.00 0.00 N ATOM 528 CA ASP A 36 4.982 -7.884 7.802 1.00 0.00 C ATOM 529 C ASP A 36 4.970 -7.001 9.050 1.00 0.00 C ATOM 530 O ASP A 36 4.561 -7.441 10.126 1.00 0.00 O ATOM 531 CB ASP A 36 6.385 -8.457 7.608 1.00 0.00 C ATOM 532 CG ASP A 36 6.605 -9.406 8.793 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.112 -10.552 8.671 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.063 -8.966 9.872 1.00 0.00 O ATOM 0 H ASP A 36 4.953 -7.272 5.768 1.00 0.00 H new ATOM 0 HA ASP A 36 4.307 -8.724 7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.465 -8.988 6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.134 -7.665 7.594 1.00 0.00 H new ATOM 539 N LYS A 37 5.298 -5.720 8.880 1.00 0.00 N ATOM 540 CA LYS A 37 5.484 -4.764 9.963 1.00 0.00 C ATOM 541 C LYS A 37 4.125 -4.410 10.546 1.00 0.00 C ATOM 542 O LYS A 37 4.010 -4.367 11.771 1.00 0.00 O ATOM 543 CB LYS A 37 6.245 -3.569 9.356 1.00 0.00 C ATOM 544 CG LYS A 37 6.994 -2.643 10.326 1.00 0.00 C ATOM 545 CD LYS A 37 7.928 -1.746 9.489 1.00 0.00 C ATOM 546 CE LYS A 37 8.834 -0.838 10.333 1.00 0.00 C ATOM 547 NZ LYS A 37 9.791 -0.073 9.492 1.00 0.00 N ATOM 0 H LYS A 37 5.445 -5.311 7.957 1.00 0.00 H new ATOM 0 HA LYS A 37 6.068 -5.153 10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.966 -3.959 8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.532 -2.964 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.290 -2.036 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.568 -3.227 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.551 -2.377 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.324 -1.126 8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.219 -0.144 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.386 -1.443 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.240 0.669 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.521 -0.716 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.282 0.364 8.697 1.00 0.00 H new ATOM 561 N LEU A 38 3.091 -4.209 9.724 1.00 0.00 N ATOM 562 CA LEU A 38 1.737 -4.014 10.221 1.00 0.00 C ATOM 563 C LEU A 38 1.222 -5.425 10.516 1.00 0.00 C ATOM 564 O LEU A 38 0.419 -5.984 9.763 1.00 0.00 O ATOM 565 CB LEU A 38 0.838 -3.309 9.188 1.00 0.00 C ATOM 566 CG LEU A 38 1.154 -1.824 8.941 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.262 -1.335 7.797 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.897 -0.957 10.181 1.00 0.00 C ATOM 0 H LEU A 38 3.173 -4.178 8.708 1.00 0.00 H new ATOM 0 HA LEU A 38 1.726 -3.371 11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.916 -3.842 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.198 -3.393 9.516 1.00 0.00 H new ATOM 0 HG LEU A 38 2.212 -1.734 8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.466 -0.282 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.469 -1.918 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.785 -1.456 8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.135 0.082 9.954 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.152 -1.034 10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.525 -1.302 11.003 1.00 0.00 H new ATOM 580 N LYS A 39 1.633 -6.000 11.650 1.00 0.00 N ATOM 581 CA LYS A 39 1.290 -7.385 11.958 1.00 0.00 C ATOM 582 C LYS A 39 -0.156 -7.428 12.453 1.00 0.00 C ATOM 583 O LYS A 39 -0.751 -6.389 12.729 1.00 0.00 O ATOM 584 CB LYS A 39 2.413 -8.124 12.715 1.00 0.00 C ATOM 585 CG LYS A 39 3.044 -7.430 13.932 1.00 0.00 C ATOM 586 CD LYS A 39 4.408 -8.043 14.331 1.00 0.00 C ATOM 587 CE LYS A 39 5.624 -7.666 13.445 1.00 0.00 C ATOM 588 NZ LYS A 39 5.834 -8.544 12.264 1.00 0.00 N ATOM 0 H LYS A 39 2.197 -5.532 12.360 1.00 0.00 H new ATOM 0 HA LYS A 39 1.265 -8.029 11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.016 -9.083 13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.210 -8.338 12.003 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.177 -6.371 13.712 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.360 -7.496 14.778 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.628 -7.746 15.356 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.308 -9.128 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.499 -6.640 13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.524 -7.687 14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.841 -8.542 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.538 -9.514 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.270 -8.192 11.465 1.00 0.00 H new ATOM 602 N ILE A 40 -0.753 -8.625 12.450 1.00 0.00 N ATOM 603 CA ILE A 40 -2.169 -8.916 12.731 1.00 0.00 C ATOM 604 C ILE A 40 -2.877 -8.594 11.407 1.00 0.00 C ATOM 605 O ILE A 40 -3.329 -9.499 10.708 1.00 0.00 O ATOM 606 CB ILE A 40 -2.793 -8.198 13.965 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.048 -8.623 15.251 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.304 -8.505 14.058 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.459 -7.829 16.496 1.00 0.00 C ATOM 0 H ILE A 40 -0.228 -9.474 12.238 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.288 -9.954 13.043 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.683 -7.120 13.849 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.229 -9.683 15.431 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.976 -8.505 15.094 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.726 -7.997 14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.803 -8.155 13.154 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.451 -9.580 14.161 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.894 -8.185 17.357 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.252 -6.771 16.337 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.525 -7.966 16.680 1.00 0.00 H new ATOM 621 N LEU A 41 -2.816 -7.338 10.951 1.00 0.00 N ATOM 622 CA LEU A 41 -3.495 -6.865 9.740 1.00 0.00 C ATOM 623 C LEU A 41 -2.655 -7.184 8.476 1.00 0.00 C ATOM 624 O LEU A 41 -3.057 -6.935 7.337 1.00 0.00 O ATOM 625 CB LEU A 41 -3.775 -5.360 9.974 1.00 0.00 C ATOM 626 CG LEU A 41 -4.868 -4.652 9.144 1.00 0.00 C ATOM 627 CD1 LEU A 41 -4.293 -3.940 7.922 1.00 0.00 C ATOM 628 CD2 LEU A 41 -6.044 -5.563 8.773 1.00 0.00 C ATOM 0 H LEU A 41 -2.283 -6.608 11.423 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.441 -7.374 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.032 -5.235 11.026 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.840 -4.824 9.808 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.282 -3.888 9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.099 -3.457 7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.573 -3.188 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.796 -4.666 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.772 -4.998 8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.681 -6.404 8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.516 -5.936 9.682 1.00 0.00 H new ATOM 640 N ARG A 42 -1.586 -7.965 8.666 1.00 0.00 N ATOM 641 CA ARG A 42 -0.660 -8.514 7.677 1.00 0.00 C ATOM 642 C ARG A 42 -1.422 -9.360 6.666 1.00 0.00 C ATOM 643 O ARG A 42 -1.096 -9.316 5.480 1.00 0.00 O ATOM 644 CB ARG A 42 0.349 -9.361 8.483 1.00 0.00 C ATOM 645 CG ARG A 42 1.445 -10.173 7.765 1.00 0.00 C ATOM 646 CD ARG A 42 2.241 -10.913 8.864 1.00 0.00 C ATOM 647 NE ARG A 42 3.521 -11.498 8.421 1.00 0.00 N ATOM 648 CZ ARG A 42 3.889 -12.786 8.373 1.00 0.00 C ATOM 649 NH1 ARG A 42 2.992 -13.772 8.426 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.181 -13.067 8.278 1.00 0.00 N ATOM 0 H ARG A 42 -1.325 -8.255 9.608 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.148 -7.738 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.852 -8.687 9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.229 -10.063 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.005 -10.881 7.063 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.098 -9.517 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.440 -10.217 9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.617 -11.709 9.270 1.00 0.00 H new ATOM 0 HE ARG A 42 4.224 -10.829 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.999 -13.554 8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.299 -14.744 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.866 -12.312 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.490 -14.038 8.240 1.00 0.00 H new ATOM 664 N GLY A 43 -2.447 -10.093 7.115 1.00 0.00 N ATOM 665 CA GLY A 43 -3.283 -10.922 6.261 1.00 0.00 C ATOM 666 C GLY A 43 -3.951 -10.101 5.162 1.00 0.00 C ATOM 667 O GLY A 43 -3.829 -10.446 3.986 1.00 0.00 O ATOM 0 H GLY A 43 -2.717 -10.123 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.677 -11.709 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.047 -11.413 6.864 1.00 0.00 H new ATOM 671 N LEU A 44 -4.637 -9.008 5.523 1.00 0.00 N ATOM 672 CA LEU A 44 -5.350 -8.180 4.550 1.00 0.00 C ATOM 673 C LEU A 44 -4.362 -7.594 3.547 1.00 0.00 C ATOM 674 O LEU A 44 -4.584 -7.690 2.343 1.00 0.00 O ATOM 675 CB LEU A 44 -6.152 -7.066 5.246 1.00 0.00 C ATOM 676 CG LEU A 44 -6.988 -6.225 4.257 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.115 -7.040 3.610 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.594 -5.021 4.979 1.00 0.00 C ATOM 0 H LEU A 44 -4.711 -8.679 6.486 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.063 -8.809 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.815 -7.511 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.466 -6.411 5.783 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.314 -5.895 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.675 -6.405 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.688 -7.880 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.784 -7.414 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.182 -4.433 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.237 -5.368 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.795 -4.403 5.390 1.00 0.00 H new ATOM 690 N CYS A 45 -3.255 -7.034 4.040 1.00 0.00 N ATOM 691 CA CYS A 45 -2.178 -6.512 3.224 1.00 0.00 C ATOM 692 C CYS A 45 -1.701 -7.554 2.201 1.00 0.00 C ATOM 693 O CYS A 45 -1.644 -7.249 1.008 1.00 0.00 O ATOM 694 CB CYS A 45 -1.080 -6.025 4.173 1.00 0.00 C ATOM 695 SG CYS A 45 0.236 -5.049 3.420 1.00 0.00 S ATOM 0 H CYS A 45 -3.087 -6.933 5.041 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.511 -5.669 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.544 -5.429 4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.631 -6.894 4.655 1.00 0.00 H new ATOM 700 N LYS A 46 -1.409 -8.799 2.616 1.00 0.00 N ATOM 701 CA LYS A 46 -1.012 -9.831 1.650 1.00 0.00 C ATOM 702 C LYS A 46 -2.150 -10.152 0.681 1.00 0.00 C ATOM 703 O LYS A 46 -1.858 -10.341 -0.495 1.00 0.00 O ATOM 704 CB LYS A 46 -0.492 -11.138 2.287 1.00 0.00 C ATOM 705 CG LYS A 46 0.738 -11.081 3.216 1.00 0.00 C ATOM 706 CD LYS A 46 1.781 -9.985 2.952 1.00 0.00 C ATOM 707 CE LYS A 46 2.566 -10.093 1.636 1.00 0.00 C ATOM 708 NZ LYS A 46 3.521 -8.964 1.465 1.00 0.00 N ATOM 0 H LYS A 46 -1.439 -9.107 3.588 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.173 -9.393 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.313 -11.576 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.260 -11.829 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.381 -10.965 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.244 -12.045 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.275 -9.020 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.494 -9.986 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.112 -11.036 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.869 -10.109 0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.723 -8.831 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.103 -8.094 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.405 -9.178 1.970 1.00 0.00 H new ATOM 722 N LYS A 47 -3.415 -10.219 1.117 1.00 0.00 N ATOM 723 CA LYS A 47 -4.540 -10.485 0.213 1.00 0.00 C ATOM 724 C LYS A 47 -4.576 -9.430 -0.892 1.00 0.00 C ATOM 725 O LYS A 47 -4.599 -9.799 -2.066 1.00 0.00 O ATOM 726 CB LYS A 47 -5.872 -10.574 0.986 1.00 0.00 C ATOM 727 CG LYS A 47 -7.067 -10.892 0.063 1.00 0.00 C ATOM 728 CD LYS A 47 -8.381 -11.024 0.854 1.00 0.00 C ATOM 729 CE LYS A 47 -9.626 -11.122 -0.049 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.702 -12.381 -0.832 1.00 0.00 N ATOM 0 H LYS A 47 -3.684 -10.092 2.093 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.396 -11.457 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.793 -11.345 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.054 -9.630 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.170 -10.104 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.873 -11.819 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.329 -11.910 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.487 -10.165 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.519 -11.036 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.632 -10.277 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.564 -12.376 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.868 -12.457 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.728 -13.193 -0.182 1.00 0.00 H new ATOM 744 N ILE A 48 -4.577 -8.145 -0.526 1.00 0.00 N ATOM 745 CA ILE A 48 -4.622 -7.034 -1.471 1.00 0.00 C ATOM 746 C ILE A 48 -3.439 -7.170 -2.432 1.00 0.00 C ATOM 747 O ILE A 48 -3.638 -7.205 -3.643 1.00 0.00 O ATOM 748 CB ILE A 48 -4.662 -5.677 -0.719 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.994 -5.533 0.060 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.504 -4.492 -1.693 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.029 -4.344 1.030 1.00 0.00 C ATOM 0 H ILE A 48 -4.546 -7.847 0.449 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.536 -7.062 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.827 -5.662 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.811 -5.429 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.176 -6.450 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.536 -3.556 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.549 -4.573 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.315 -4.509 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.995 -4.314 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.236 -4.454 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.881 -3.417 0.475 1.00 0.00 H new ATOM 763 N MET A 49 -2.215 -7.284 -1.913 1.00 0.00 N ATOM 764 CA MET A 49 -1.008 -7.331 -2.737 1.00 0.00 C ATOM 765 C MET A 49 -0.914 -8.612 -3.564 1.00 0.00 C ATOM 766 O MET A 49 -0.248 -8.586 -4.586 1.00 0.00 O ATOM 767 CB MET A 49 0.224 -7.067 -1.868 1.00 0.00 C ATOM 768 CG MET A 49 0.160 -5.605 -1.407 1.00 0.00 C ATOM 769 SD MET A 49 1.461 -5.078 -0.280 1.00 0.00 S ATOM 770 CE MET A 49 0.842 -3.397 0.021 1.00 0.00 C ATOM 0 H MET A 49 -2.034 -7.346 -0.911 1.00 0.00 H new ATOM 0 HA MET A 49 -1.060 -6.534 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.239 -7.739 -1.010 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.138 -7.251 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.188 -4.965 -2.289 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.802 -5.439 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.131 -3.077 1.022 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.268 -2.715 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.245 -3.389 -0.063 1.00 0.00 H new ATOM 780 N ARG A 50 -1.559 -9.728 -3.208 1.00 0.00 N ATOM 781 CA ARG A 50 -1.559 -10.891 -4.102 1.00 0.00 C ATOM 782 C ARG A 50 -2.470 -10.599 -5.286 1.00 0.00 C ATOM 783 O ARG A 50 -2.156 -10.989 -6.410 1.00 0.00 O ATOM 784 CB ARG A 50 -2.035 -12.162 -3.383 1.00 0.00 C ATOM 785 CG ARG A 50 -2.105 -13.408 -4.298 1.00 0.00 C ATOM 786 CD ARG A 50 -0.807 -13.708 -5.073 1.00 0.00 C ATOM 787 NE ARG A 50 -0.984 -14.771 -6.082 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.345 -14.604 -7.367 1.00 0.00 C ATOM 789 NH1 ARG A 50 -1.707 -13.409 -7.838 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.343 -15.652 -8.188 1.00 0.00 N ATOM 0 H ARG A 50 -2.073 -9.851 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.538 -11.068 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.363 -12.371 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.022 -11.979 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.358 -14.276 -3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.917 -13.273 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.463 -12.798 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.028 -14.005 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.816 -15.729 -5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.714 -12.598 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.977 -13.307 -8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.069 -16.571 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.615 -15.536 -9.164 1.00 0.00 H new ATOM 804 N SER A 51 -3.623 -10.011 -4.990 1.00 0.00 N ATOM 805 CA SER A 51 -4.680 -9.729 -5.943 1.00 0.00 C ATOM 806 C SER A 51 -4.260 -8.639 -6.935 1.00 0.00 C ATOM 807 O SER A 51 -4.351 -8.842 -8.142 1.00 0.00 O ATOM 808 CB SER A 51 -5.931 -9.313 -5.146 1.00 0.00 C ATOM 809 OG SER A 51 -7.123 -9.443 -5.890 1.00 0.00 O ATOM 0 H SER A 51 -3.852 -9.708 -4.043 1.00 0.00 H new ATOM 0 HA SER A 51 -4.895 -10.617 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.002 -9.923 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.822 -8.278 -4.822 1.00 0.00 H new ATOM 0 HG SER A 51 -7.364 -8.575 -6.275 1.00 0.00 H new ATOM 815 N PHE A 52 -3.762 -7.502 -6.443 1.00 0.00 N ATOM 816 CA PHE A 52 -3.450 -6.322 -7.239 1.00 0.00 C ATOM 817 C PHE A 52 -2.092 -5.758 -6.811 1.00 0.00 C ATOM 818 O PHE A 52 -2.004 -4.619 -6.362 1.00 0.00 O ATOM 819 CB PHE A 52 -4.594 -5.300 -7.030 1.00 0.00 C ATOM 820 CG PHE A 52 -6.020 -5.826 -7.029 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.526 -6.553 -8.125 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.857 -5.556 -5.927 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.855 -7.010 -8.113 1.00 0.00 C ATOM 824 CE2 PHE A 52 -8.189 -6.000 -5.924 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.689 -6.724 -7.017 1.00 0.00 C ATOM 0 H PHE A 52 -3.560 -7.378 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.377 -6.563 -8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.422 -4.794 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.516 -4.545 -7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.892 -6.759 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.472 -5.005 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.236 -7.581 -8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.828 -5.784 -5.081 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.715 -7.062 -7.017 1.00 0.00 H new ATOM 835 N LEU A 53 -1.009 -6.521 -6.991 1.00 0.00 N ATOM 836 CA LEU A 53 0.310 -6.136 -6.487 1.00 0.00 C ATOM 837 C LEU A 53 0.764 -4.791 -7.061 1.00 0.00 C ATOM 838 O LEU A 53 0.814 -3.794 -6.341 1.00 0.00 O ATOM 839 CB LEU A 53 1.340 -7.249 -6.766 1.00 0.00 C ATOM 840 CG LEU A 53 2.554 -7.146 -5.815 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.304 -8.477 -5.826 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.520 -6.000 -6.128 1.00 0.00 C ATOM 0 H LEU A 53 -1.022 -7.413 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 53 0.234 -6.008 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.866 -8.223 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.679 -7.182 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 53 2.152 -6.920 -4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.163 -8.416 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.639 -9.272 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.646 -8.694 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.339 -6.008 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.920 -6.126 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.990 -5.050 -6.064 1.00 0.00 H new ATOM 854 N ARG A 54 1.064 -4.736 -8.365 1.00 0.00 N ATOM 855 CA ARG A 54 1.632 -3.528 -8.967 1.00 0.00 C ATOM 856 C ARG A 54 0.631 -2.373 -8.979 1.00 0.00 C ATOM 857 O ARG A 54 1.033 -1.238 -9.212 1.00 0.00 O ATOM 858 CB ARG A 54 2.208 -3.832 -10.365 1.00 0.00 C ATOM 859 CG ARG A 54 3.255 -2.796 -10.836 1.00 0.00 C ATOM 860 CD ARG A 54 2.781 -1.826 -11.928 1.00 0.00 C ATOM 861 NE ARG A 54 3.857 -0.888 -12.295 1.00 0.00 N ATOM 862 CZ ARG A 54 4.086 -0.291 -13.472 1.00 0.00 C ATOM 863 NH1 ARG A 54 3.274 -0.482 -14.513 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.137 0.504 -13.601 1.00 0.00 N ATOM 0 H ARG A 54 0.924 -5.508 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 54 2.462 -3.198 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.666 -4.821 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.392 -3.867 -11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.578 -2.214 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.130 -3.332 -11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.465 -2.387 -12.808 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.912 -1.270 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 54 4.517 -0.663 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.462 -1.092 -14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.466 -0.018 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.762 0.656 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.322 0.964 -14.492 1.00 0.00 H new ATOM 878 N ARG A 55 -0.667 -2.614 -8.736 1.00 0.00 N ATOM 879 CA ARG A 55 -1.620 -1.532 -8.602 1.00 0.00 C ATOM 880 C ARG A 55 -1.198 -0.698 -7.390 1.00 0.00 C ATOM 881 O ARG A 55 -1.063 0.509 -7.532 1.00 0.00 O ATOM 882 CB ARG A 55 -3.054 -2.066 -8.451 1.00 0.00 C ATOM 883 CG ARG A 55 -3.772 -2.481 -9.754 1.00 0.00 C ATOM 884 CD ARG A 55 -4.254 -1.277 -10.567 1.00 0.00 C ATOM 885 NE ARG A 55 -4.922 -1.621 -11.834 1.00 0.00 N ATOM 886 CZ ARG A 55 -5.513 -0.720 -12.639 1.00 0.00 C ATOM 887 NH1 ARG A 55 -5.502 0.579 -12.335 1.00 0.00 N ATOM 888 NH2 ARG A 55 -6.117 -1.124 -13.755 1.00 0.00 N ATOM 0 H ARG A 55 -1.066 -3.547 -8.631 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.621 -0.914 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.029 -2.928 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.654 -1.300 -7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.095 -3.079 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.624 -3.115 -9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.942 -0.694 -9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.399 -0.636 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.937 -2.601 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.042 0.900 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.954 1.252 -12.954 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.131 -2.115 -13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.566 -0.443 -14.367 1.00 0.00 H new ATOM 902 N ILE A 56 -0.930 -1.307 -6.231 1.00 0.00 N ATOM 903 CA ILE A 56 -0.610 -0.509 -5.045 1.00 0.00 C ATOM 904 C ILE A 56 0.648 0.332 -5.300 1.00 0.00 C ATOM 905 O ILE A 56 0.731 1.459 -4.822 1.00 0.00 O ATOM 906 CB ILE A 56 -0.521 -1.376 -3.770 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.724 -2.336 -3.629 1.00 0.00 C ATOM 908 CG2 ILE A 56 -0.428 -0.489 -2.512 1.00 0.00 C ATOM 909 CD1 ILE A 56 -3.101 -1.693 -3.857 1.00 0.00 C ATOM 0 H ILE A 56 -0.927 -2.317 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.429 0.185 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 56 0.383 -1.977 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.601 -3.155 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.705 -2.773 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.366 -1.120 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.462 0.138 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.314 0.143 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.879 -2.447 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.254 -0.894 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.148 -1.282 -4.865 1.00 0.00 H new ATOM 921 N SER A 57 1.576 -0.160 -6.122 1.00 0.00 N ATOM 922 CA SER A 57 2.734 0.613 -6.519 1.00 0.00 C ATOM 923 C SER A 57 2.337 1.752 -7.466 1.00 0.00 C ATOM 924 O SER A 57 2.691 2.883 -7.170 1.00 0.00 O ATOM 925 CB SER A 57 3.770 -0.338 -7.120 1.00 0.00 C ATOM 926 OG SER A 57 5.008 0.290 -7.301 1.00 0.00 O ATOM 0 H SER A 57 1.540 -1.097 -6.523 1.00 0.00 H new ATOM 0 HA SER A 57 3.183 1.099 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.893 -1.202 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.408 -0.711 -8.078 1.00 0.00 H new ATOM 0 HG SER A 57 5.513 -0.177 -7.999 1.00 0.00 H new ATOM 932 N TRP A 58 1.559 1.532 -8.540 1.00 0.00 N ATOM 933 CA TRP A 58 1.053 2.620 -9.400 1.00 0.00 C ATOM 934 C TRP A 58 0.425 3.717 -8.544 1.00 0.00 C ATOM 935 O TRP A 58 0.700 4.899 -8.735 1.00 0.00 O ATOM 936 CB TRP A 58 0.031 2.111 -10.444 1.00 0.00 C ATOM 937 CG TRP A 58 -1.204 2.960 -10.680 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.241 4.216 -11.182 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.587 2.679 -10.312 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.538 4.701 -11.166 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.436 3.732 -10.764 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.212 1.659 -9.583 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.843 3.666 -10.650 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.586 1.644 -9.362 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.423 2.599 -9.933 1.00 0.00 C ATOM 0 H TRP A 58 1.264 0.602 -8.836 1.00 0.00 H new ATOM 0 HA TRP A 58 1.904 3.026 -9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.549 1.998 -11.396 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.296 1.117 -10.139 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.382 4.762 -11.543 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.797 5.654 -11.419 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.609 0.859 -9.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.465 4.422 -11.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -5.012 0.875 -8.734 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.495 2.524 -9.829 1.00 0.00 H new ATOM 956 N ASP A 59 -0.449 3.313 -7.630 1.00 0.00 N ATOM 957 CA ASP A 59 -1.122 4.171 -6.678 1.00 0.00 C ATOM 958 C ASP A 59 -0.137 5.065 -5.920 1.00 0.00 C ATOM 959 O ASP A 59 -0.328 6.279 -5.882 1.00 0.00 O ATOM 960 CB ASP A 59 -1.972 3.289 -5.758 1.00 0.00 C ATOM 961 CG ASP A 59 -3.311 2.902 -6.383 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.658 1.702 -6.367 1.00 0.00 O ATOM 963 OD2 ASP A 59 -4.142 3.846 -6.902 1.00 0.00 O ATOM 0 H ASP A 59 -0.716 2.333 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.780 4.866 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.415 2.384 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.152 3.816 -4.821 1.00 0.00 H new ATOM 969 N ILE A 60 0.908 4.480 -5.331 1.00 0.00 N ATOM 970 CA ILE A 60 1.998 5.193 -4.668 1.00 0.00 C ATOM 971 C ILE A 60 2.738 6.107 -5.656 1.00 0.00 C ATOM 972 O ILE A 60 2.890 7.291 -5.384 1.00 0.00 O ATOM 973 CB ILE A 60 2.926 4.156 -3.988 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.245 3.426 -2.806 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.267 4.754 -3.548 1.00 0.00 C ATOM 976 CD1 ILE A 60 2.178 4.200 -1.498 1.00 0.00 C ATOM 0 H ILE A 60 1.021 3.467 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 60 1.604 5.853 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 60 3.133 3.415 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.230 3.163 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.777 2.492 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.874 3.980 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.792 5.149 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.090 5.559 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.681 3.593 -0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.188 4.440 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.617 5.122 -1.649 1.00 0.00 H new ATOM 988 N LEU A 61 3.217 5.571 -6.781 1.00 0.00 N ATOM 989 CA LEU A 61 4.043 6.256 -7.778 1.00 0.00 C ATOM 990 C LEU A 61 3.323 7.457 -8.398 1.00 0.00 C ATOM 991 O LEU A 61 3.970 8.439 -8.740 1.00 0.00 O ATOM 992 CB LEU A 61 4.468 5.270 -8.884 1.00 0.00 C ATOM 993 CG LEU A 61 5.434 4.158 -8.420 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.455 3.025 -9.452 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.868 4.659 -8.219 1.00 0.00 C ATOM 0 H LEU A 61 3.030 4.601 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 61 4.927 6.633 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.574 4.806 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.941 5.831 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 61 5.064 3.806 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.138 2.243 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.452 2.610 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.790 3.415 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.500 3.833 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.249 5.058 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.877 5.443 -7.462 1.00 0.00 H new ATOM 1007 N THR A 62 1.996 7.408 -8.537 1.00 0.00 N ATOM 1008 CA THR A 62 1.193 8.545 -8.998 1.00 0.00 C ATOM 1009 C THR A 62 0.885 9.523 -7.851 1.00 0.00 C ATOM 1010 O THR A 62 0.021 10.386 -7.994 1.00 0.00 O ATOM 1011 CB THR A 62 -0.063 8.067 -9.763 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.819 7.067 -9.092 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.334 7.505 -11.133 1.00 0.00 C ATOM 0 H THR A 62 1.445 6.575 -8.332 1.00 0.00 H new ATOM 0 HA THR A 62 1.783 9.115 -9.716 1.00 0.00 H new ATOM 0 HB THR A 62 -0.692 8.953 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.362 6.204 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.559 7.172 -11.662 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.832 8.281 -11.714 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.012 6.662 -10.998 1.00 0.00 H new ATOM 1021 N GLY A 63 1.572 9.379 -6.711 1.00 0.00 N ATOM 1022 CA GLY A 63 1.385 10.090 -5.461 1.00 0.00 C ATOM 1023 C GLY A 63 -0.085 10.270 -5.131 1.00 0.00 C ATOM 1024 O GLY A 63 -0.491 11.345 -4.681 1.00 0.00 O ATOM 0 H GLY A 63 2.334 8.704 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.874 9.543 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.866 11.066 -5.522 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.882 9.198 -5.219 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.297 9.336 -4.921 1.00 0.00 C ATOM 1030 C LYS A 64 -2.399 9.096 -3.420 1.00 0.00 C ATOM 1031 O LYS A 64 -1.650 8.315 -2.839 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.034 8.317 -5.806 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.564 8.431 -5.801 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.219 7.293 -6.606 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.632 7.134 -8.019 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.232 5.992 -8.733 1.00 0.00 N ATOM 0 H LYS A 64 -0.579 8.261 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.749 10.304 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.681 8.428 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.760 7.313 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.928 8.407 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.859 9.392 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.099 6.356 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.290 7.481 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.800 8.048 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.553 6.995 -7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.689 5.800 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.215 5.152 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.216 6.218 -8.984 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.278 9.830 -2.745 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.451 9.664 -1.296 1.00 0.00 C ATOM 1052 C LYS A 65 -4.161 8.357 -0.927 1.00 0.00 C ATOM 1053 O LYS A 65 -5.006 7.908 -1.696 1.00 0.00 O ATOM 1054 CB LYS A 65 -3.981 10.953 -0.645 1.00 0.00 C ATOM 1055 CG LYS A 65 -2.882 12.006 -0.350 1.00 0.00 C ATOM 1056 CD LYS A 65 -1.891 12.428 -1.456 1.00 0.00 C ATOM 1057 CE LYS A 65 -0.659 11.527 -1.698 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.246 11.363 -0.536 1.00 0.00 N ATOM 0 H LYS A 65 -3.878 10.539 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.472 9.525 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.730 11.398 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.485 10.697 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.385 12.910 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.292 11.631 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.444 12.499 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.533 13.430 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.006 10.542 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.086 11.939 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.228 11.534 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.014 12.044 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.160 10.396 -0.163 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.008 7.851 0.310 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.515 6.555 0.763 1.00 0.00 C ATOM 1074 C PRO A 66 -6.024 6.408 0.654 1.00 0.00 C ATOM 1075 O PRO A 66 -6.491 5.429 0.081 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.055 6.395 2.218 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.662 7.811 2.623 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.122 8.372 1.325 1.00 0.00 C ATOM 0 HA PRO A 66 -4.119 5.773 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.852 6.003 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.214 5.706 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.515 8.382 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.911 7.816 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.124 9.462 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.093 8.056 1.154 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.787 7.352 1.216 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.246 7.277 1.221 1.00 0.00 C ATOM 1088 C GLN A 67 -8.746 7.133 -0.220 1.00 0.00 C ATOM 1089 O GLN A 67 -9.575 6.271 -0.504 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.801 8.523 1.940 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.298 8.467 2.297 1.00 0.00 C ATOM 1092 CD GLN A 67 -11.243 8.684 1.115 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -12.037 7.821 0.779 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.197 9.836 0.464 1.00 0.00 N ATOM 0 H GLN A 67 -6.411 8.181 1.676 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.603 6.403 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.232 8.676 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.628 9.394 1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.515 7.498 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.506 9.222 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.532 10.556 0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.827 10.004 -0.321 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.134 7.876 -1.147 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.550 7.865 -2.534 1.00 0.00 C ATOM 1105 C ALA A 68 -8.017 6.616 -3.225 1.00 0.00 C ATOM 1106 O ALA A 68 -8.782 6.057 -3.988 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.043 9.127 -3.241 1.00 0.00 C ATOM 0 H ALA A 68 -7.346 8.493 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.639 7.852 -2.582 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.360 9.112 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.454 10.009 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.955 9.159 -3.193 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.799 6.126 -2.947 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.301 4.857 -3.499 1.00 0.00 C ATOM 1115 C ILE A 69 -7.292 3.735 -3.195 1.00 0.00 C ATOM 1116 O ILE A 69 -7.632 2.915 -4.049 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.903 4.513 -2.919 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.829 5.448 -3.499 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.549 3.032 -3.188 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.502 5.397 -2.726 1.00 0.00 C ATOM 0 H ILE A 69 -6.133 6.597 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.202 4.963 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.934 4.662 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.647 5.180 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.206 6.471 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.565 2.812 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.293 2.389 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.539 2.850 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.787 6.079 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.672 5.693 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.104 4.382 -2.752 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.689 3.641 -1.936 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.643 2.651 -1.526 1.00 0.00 C ATOM 1134 C CYS A 70 -9.980 2.839 -2.241 1.00 0.00 C ATOM 1135 O CYS A 70 -10.509 1.820 -2.648 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.696 2.648 -0.003 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.085 2.332 0.773 1.00 0.00 S ATOM 0 H CYS A 70 -7.357 4.246 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.340 1.649 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.075 3.610 0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.405 1.889 0.327 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.573 4.029 -2.426 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.835 4.064 -3.190 1.00 0.00 C ATOM 1144 C VAL A 71 -11.568 3.778 -4.690 1.00 0.00 C ATOM 1145 O VAL A 71 -12.361 3.091 -5.322 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.663 5.351 -2.974 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -14.074 5.172 -3.587 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.911 5.656 -1.495 1.00 0.00 C ATOM 0 H VAL A 71 -10.230 4.927 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.463 3.266 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.087 6.153 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.656 6.081 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.984 4.975 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.577 4.334 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.497 6.571 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.456 4.829 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.956 5.785 -0.985 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.436 4.229 -5.237 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.926 4.043 -6.604 1.00 0.00 C ATOM 1160 C ASP A 72 -9.926 2.583 -7.056 1.00 0.00 C ATOM 1161 O ASP A 72 -10.541 2.269 -8.072 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.554 4.722 -6.653 1.00 0.00 C ATOM 1163 CG ASP A 72 -7.665 4.462 -7.852 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -7.776 5.145 -8.891 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -6.613 3.819 -7.617 1.00 0.00 O ATOM 0 H ASP A 72 -9.788 4.788 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.590 4.509 -7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.713 5.798 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.004 4.424 -5.761 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.274 1.676 -6.324 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.352 0.233 -6.624 1.00 0.00 C ATOM 1172 C ILE A 73 -10.500 -0.458 -5.855 1.00 0.00 C ATOM 1173 O ILE A 73 -10.646 -1.679 -5.895 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.995 -0.454 -6.449 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.603 -0.483 -4.955 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.957 0.110 -7.428 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.128 -0.230 -4.681 1.00 0.00 C ATOM 0 H ILE A 73 -8.688 1.908 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.606 0.127 -7.679 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.053 -1.505 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.191 0.266 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.874 -1.454 -4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.004 -0.397 -7.280 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.298 -0.049 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.831 1.178 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.945 -0.269 -3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.529 -0.993 -5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.851 0.754 -5.061 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.293 0.342 -5.143 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.514 0.113 -4.411 1.00 0.00 C ATOM 1191 C LYS A 74 -12.348 -0.932 -3.311 1.00 0.00 C ATOM 1192 O LYS A 74 -12.621 -2.121 -3.471 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.588 -0.079 -5.471 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.999 0.079 -4.938 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.631 -1.037 -4.103 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.668 -2.405 -4.796 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.972 -3.426 -3.987 1.00 0.00 N ATOM 0 H LYS A 74 -11.037 1.326 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.834 0.950 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.428 0.641 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.482 -1.072 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.018 0.986 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.651 0.253 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.078 -1.132 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.649 -0.747 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.703 -2.707 -4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.200 -2.332 -5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.696 -4.223 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.122 -3.008 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.607 -3.767 -3.238 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.881 -0.412 -2.185 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.586 -0.974 -0.878 1.00 0.00 C ATOM 1213 C ILE A 75 -12.025 0.054 0.198 1.00 0.00 C ATOM 1214 O ILE A 75 -12.213 -0.296 1.361 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.069 -1.296 -0.795 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.581 -2.177 -1.970 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.740 -1.987 0.537 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.084 -2.499 -1.920 1.00 0.00 C ATOM 0 H ILE A 75 -11.666 0.585 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.128 -1.904 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.544 -0.343 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.144 -3.110 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.803 -1.670 -2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.673 -2.206 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.009 -1.330 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.304 -2.916 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.817 -3.120 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.511 -1.572 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.858 -3.035 -0.998 1.00 0.00 H new