USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 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 13 THR OG1 : rot -60:sc= 0.179 USER MOD Set 1.2: A 41 GLN : amide:sc= -0.599 X(o=-0.42,f=-0.35) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 135:sc= -0.145 (180deg=-0.508) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= -0.18 (180deg=-0.367) USER MOD Single : A 12 MET CE :methyl -179:sc= 0 (180deg=-0.000837) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -84:sc= 1.31 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00885) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.813 K(o=0.81,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.59 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 50 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 169:sc= -2.21 (180deg=-2.5) USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= 1.13 (180deg=0.936) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 64 MET CE :methyl -146:sc= 0 (180deg=-0.311) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0286) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.955 -2.244 14.597 1.00 0.00 N ATOM 2 CA GLY A 1 4.509 -1.023 15.290 1.00 0.00 C ATOM 3 C GLY A 1 3.179 -0.582 14.703 1.00 0.00 C ATOM 4 O GLY A 1 2.132 -0.834 15.288 1.00 0.00 O ATOM 0 H1 GLY A 1 5.866 -2.554 14.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.247 -2.995 14.727 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.067 -2.046 13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.405 -1.213 16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.251 -0.233 15.177 1.00 0.00 H new ATOM 10 N GLU A 2 3.243 -0.004 13.505 1.00 0.00 N ATOM 11 CA GLU A 2 2.076 0.345 12.714 1.00 0.00 C ATOM 12 C GLU A 2 1.452 -0.923 12.120 1.00 0.00 C ATOM 13 O GLU A 2 1.959 -2.025 12.346 1.00 0.00 O ATOM 14 CB GLU A 2 2.501 1.307 11.595 1.00 0.00 C ATOM 15 CG GLU A 2 3.671 2.237 11.946 1.00 0.00 C ATOM 16 CD GLU A 2 3.395 3.141 13.139 1.00 0.00 C ATOM 17 OE1 GLU A 2 2.216 3.260 13.530 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.380 3.767 13.585 1.00 0.00 O ATOM 0 H GLU A 2 4.125 0.237 13.053 1.00 0.00 H new ATOM 0 HA GLU A 2 1.333 0.832 13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.773 0.721 10.717 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.642 1.918 11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.554 1.633 12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.906 2.855 11.079 1.00 0.00 H new ATOM 25 N VAL A 3 0.401 -0.765 11.309 1.00 0.00 N ATOM 26 CA VAL A 3 -0.205 -1.874 10.592 1.00 0.00 C ATOM 27 C VAL A 3 0.503 -1.990 9.242 1.00 0.00 C ATOM 28 O VAL A 3 0.425 -1.075 8.420 1.00 0.00 O ATOM 29 CB VAL A 3 -1.719 -1.677 10.397 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.412 -3.038 10.276 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.402 -0.887 11.514 1.00 0.00 C ATOM 0 H VAL A 3 -0.047 0.135 11.136 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.089 -2.790 11.172 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.818 -1.090 9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.483 -2.890 10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.007 -3.578 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.239 -3.616 11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.466 -0.795 11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.269 -1.408 12.462 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.958 0.106 11.581 1.00 0.00 H new ATOM 41 N VAL A 4 1.189 -3.113 9.026 1.00 0.00 N ATOM 42 CA VAL A 4 1.792 -3.489 7.754 1.00 0.00 C ATOM 43 C VAL A 4 0.750 -4.305 6.988 1.00 0.00 C ATOM 44 O VAL A 4 0.236 -5.300 7.502 1.00 0.00 O ATOM 45 CB VAL A 4 3.122 -4.249 7.981 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.245 -5.574 7.212 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.330 -3.404 7.569 1.00 0.00 C ATOM 0 H VAL A 4 1.343 -3.806 9.758 1.00 0.00 H new ATOM 0 HA VAL A 4 2.062 -2.614 7.162 1.00 0.00 H new ATOM 0 HB VAL A 4 3.110 -4.460 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.208 -6.035 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.443 -6.247 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.172 -5.382 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.246 -3.969 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.254 -3.152 6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.352 -2.488 8.160 1.00 0.00 H new ATOM 57 N LEU A 5 0.430 -3.870 5.771 1.00 0.00 N ATOM 58 CA LEU A 5 -0.446 -4.551 4.839 1.00 0.00 C ATOM 59 C LEU A 5 0.418 -4.926 3.637 1.00 0.00 C ATOM 60 O LEU A 5 1.170 -4.081 3.148 1.00 0.00 O ATOM 61 CB LEU A 5 -1.584 -3.616 4.407 1.00 0.00 C ATOM 62 CG LEU A 5 -2.677 -3.336 5.452 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.399 -4.613 5.898 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.189 -2.564 6.681 1.00 0.00 C ATOM 0 H LEU A 5 0.794 -2.993 5.398 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.900 -5.434 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.147 -2.664 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.058 -4.042 3.523 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.383 -2.691 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.161 -4.361 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.871 -5.084 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.680 -5.302 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.021 -2.409 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.407 -3.135 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.791 -1.598 6.370 1.00 0.00 H new ATOM 76 N LYS A 6 0.339 -6.179 3.178 1.00 0.00 N ATOM 77 CA LYS A 6 1.134 -6.673 2.061 1.00 0.00 C ATOM 78 C LYS A 6 0.155 -6.987 0.928 1.00 0.00 C ATOM 79 O LYS A 6 -0.743 -7.818 1.113 1.00 0.00 O ATOM 80 CB LYS A 6 1.930 -7.911 2.505 1.00 0.00 C ATOM 81 CG LYS A 6 3.415 -7.897 2.110 1.00 0.00 C ATOM 82 CD LYS A 6 4.282 -7.268 3.215 1.00 0.00 C ATOM 83 CE LYS A 6 5.764 -7.639 3.043 1.00 0.00 C ATOM 84 NZ LYS A 6 6.568 -7.283 4.235 1.00 0.00 N ATOM 0 H LYS A 6 -0.285 -6.880 3.578 1.00 0.00 H new ATOM 0 HA LYS A 6 1.863 -5.939 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.857 -8.003 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.463 -8.798 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.752 -8.916 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.542 -7.338 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.172 -6.184 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.932 -7.605 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.850 -8.709 2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.166 -7.128 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.561 -7.550 4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.508 -6.258 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.201 -7.790 5.065 1.00 0.00 H new ATOM 98 N MET A 7 0.280 -6.282 -0.201 1.00 0.00 N ATOM 99 CA MET A 7 -0.569 -6.459 -1.364 1.00 0.00 C ATOM 100 C MET A 7 0.252 -6.936 -2.557 1.00 0.00 C ATOM 101 O MET A 7 1.171 -6.238 -2.963 1.00 0.00 O ATOM 102 CB MET A 7 -1.290 -5.152 -1.723 1.00 0.00 C ATOM 103 CG MET A 7 -1.526 -4.173 -0.569 1.00 0.00 C ATOM 104 SD MET A 7 -2.488 -2.725 -1.080 1.00 0.00 S ATOM 105 CE MET A 7 -3.025 -2.109 0.527 1.00 0.00 C ATOM 0 H MET A 7 0.990 -5.561 -0.326 1.00 0.00 H new ATOM 0 HA MET A 7 -1.316 -7.214 -1.119 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.711 -4.642 -2.493 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.255 -5.402 -2.163 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.048 -4.686 0.239 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.565 -3.846 -0.171 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.889 -1.028 0.566 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.078 -2.348 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.433 -2.578 1.313 1.00 0.00 H new ATOM 115 N LYS A 8 -0.087 -8.069 -3.174 1.00 0.00 N ATOM 116 CA LYS A 8 0.545 -8.400 -4.447 1.00 0.00 C ATOM 117 C LYS A 8 -0.052 -7.494 -5.510 1.00 0.00 C ATOM 118 O LYS A 8 -1.273 -7.427 -5.581 1.00 0.00 O ATOM 119 CB LYS A 8 0.312 -9.852 -4.853 1.00 0.00 C ATOM 120 CG LYS A 8 1.155 -10.820 -4.037 1.00 0.00 C ATOM 121 CD LYS A 8 0.594 -11.096 -2.635 1.00 0.00 C ATOM 122 CE LYS A 8 1.415 -12.120 -1.835 1.00 0.00 C ATOM 123 NZ LYS A 8 2.004 -13.174 -2.683 1.00 0.00 N ATOM 0 H LYS A 8 -0.767 -8.747 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 8 1.621 -8.259 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.743 -10.097 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.545 -9.973 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.236 -11.763 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.164 -10.419 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.554 -10.160 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.431 -11.456 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.212 -11.602 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.776 -12.582 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.370 -13.940 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.276 -13.553 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.782 -12.773 -3.244 1.00 0.00 H new ATOM 137 N VAL A 9 0.764 -6.817 -6.314 1.00 0.00 N ATOM 138 CA VAL A 9 0.290 -5.960 -7.388 1.00 0.00 C ATOM 139 C VAL A 9 0.747 -6.521 -8.733 1.00 0.00 C ATOM 140 O VAL A 9 1.786 -7.179 -8.825 1.00 0.00 O ATOM 141 CB VAL A 9 0.771 -4.517 -7.174 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.023 -3.850 -6.017 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.278 -4.418 -6.921 1.00 0.00 C ATOM 0 H VAL A 9 1.780 -6.851 -6.235 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.800 -5.940 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 9 0.554 -3.994 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.385 -2.830 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.045 -3.831 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.195 -4.413 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.555 -3.374 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.535 -4.988 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.818 -4.822 -7.777 1.00 0.00 H new ATOM 153 N GLU A 10 -0.028 -6.256 -9.783 1.00 0.00 N ATOM 154 CA GLU A 10 0.282 -6.712 -11.128 1.00 0.00 C ATOM 155 C GLU A 10 0.635 -5.525 -12.021 1.00 0.00 C ATOM 156 O GLU A 10 0.029 -4.459 -11.937 1.00 0.00 O ATOM 157 CB GLU A 10 -0.848 -7.554 -11.715 1.00 0.00 C ATOM 158 CG GLU A 10 -1.191 -8.768 -10.847 1.00 0.00 C ATOM 159 CD GLU A 10 -2.634 -8.766 -10.360 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.519 -8.974 -11.216 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.827 -8.556 -9.143 1.00 0.00 O ATOM 0 H GLU A 10 -0.891 -5.716 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 10 1.154 -7.364 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.736 -6.933 -11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.564 -7.893 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.008 -9.678 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.523 -8.792 -9.986 1.00 0.00 H new ATOM 168 N GLY A 11 1.633 -5.732 -12.878 1.00 0.00 N ATOM 169 CA GLY A 11 1.969 -4.836 -13.980 1.00 0.00 C ATOM 170 C GLY A 11 2.906 -3.689 -13.593 1.00 0.00 C ATOM 171 O GLY A 11 3.474 -3.039 -14.469 1.00 0.00 O ATOM 0 H GLY A 11 2.244 -6.547 -12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.434 -5.417 -14.777 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.048 -4.417 -14.386 1.00 0.00 H new ATOM 175 N MET A 12 3.062 -3.409 -12.297 1.00 0.00 N ATOM 176 CA MET A 12 3.895 -2.313 -11.827 1.00 0.00 C ATOM 177 C MET A 12 5.379 -2.681 -11.911 1.00 0.00 C ATOM 178 O MET A 12 6.035 -2.948 -10.905 1.00 0.00 O ATOM 179 CB MET A 12 3.489 -1.923 -10.412 1.00 0.00 C ATOM 180 CG MET A 12 2.109 -1.250 -10.383 1.00 0.00 C ATOM 181 SD MET A 12 1.195 -1.348 -8.827 1.00 0.00 S ATOM 182 CE MET A 12 2.311 -0.490 -7.705 1.00 0.00 C ATOM 0 H MET A 12 2.613 -3.938 -11.549 1.00 0.00 H new ATOM 0 HA MET A 12 3.743 -1.448 -12.473 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.474 -2.811 -9.780 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.233 -1.246 -9.993 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.237 -0.198 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.496 -1.695 -11.167 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.887 -0.488 -6.701 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.275 -0.999 -7.690 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.448 0.537 -8.043 1.00 0.00 H new ATOM 192 N THR A 13 5.893 -2.652 -13.135 1.00 0.00 N ATOM 193 CA THR A 13 7.229 -3.108 -13.503 1.00 0.00 C ATOM 194 C THR A 13 8.119 -1.937 -13.933 1.00 0.00 C ATOM 195 O THR A 13 8.971 -2.104 -14.805 1.00 0.00 O ATOM 196 CB THR A 13 7.124 -4.179 -14.608 1.00 0.00 C ATOM 197 OG1 THR A 13 5.926 -4.917 -14.470 1.00 0.00 O ATOM 198 CG2 THR A 13 8.299 -5.163 -14.548 1.00 0.00 C ATOM 0 H THR A 13 5.368 -2.295 -13.933 1.00 0.00 H new ATOM 0 HA THR A 13 7.702 -3.557 -12.629 1.00 0.00 H new ATOM 0 HB THR A 13 7.139 -3.654 -15.563 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.915 -5.363 -13.598 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.194 -5.904 -15.340 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.235 -4.620 -14.681 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.304 -5.665 -13.580 1.00 0.00 H new ATOM 206 N CYS A 14 7.959 -0.754 -13.329 1.00 0.00 N ATOM 207 CA CYS A 14 8.866 0.360 -13.553 1.00 0.00 C ATOM 208 C CYS A 14 8.866 1.296 -12.349 1.00 0.00 C ATOM 209 O CYS A 14 7.898 1.347 -11.581 1.00 0.00 O ATOM 210 CB CYS A 14 8.490 1.115 -14.837 1.00 0.00 C ATOM 211 SG CYS A 14 6.936 2.045 -14.783 1.00 0.00 S ATOM 0 H CYS A 14 7.201 -0.550 -12.678 1.00 0.00 H new ATOM 0 HA CYS A 14 9.875 -0.034 -13.678 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.297 1.807 -15.078 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.432 0.396 -15.654 1.00 0.00 H new ATOM 216 N HIS A 15 9.937 2.086 -12.221 1.00 0.00 N ATOM 217 CA HIS A 15 10.001 3.221 -11.310 1.00 0.00 C ATOM 218 C HIS A 15 9.177 4.377 -11.883 1.00 0.00 C ATOM 219 O HIS A 15 9.693 5.461 -12.141 1.00 0.00 O ATOM 220 CB HIS A 15 11.465 3.608 -11.043 1.00 0.00 C ATOM 221 CG HIS A 15 12.077 2.842 -9.899 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.749 1.644 -9.973 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.059 3.228 -8.584 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.132 1.322 -8.724 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.737 2.258 -7.845 1.00 0.00 N ATOM 0 H HIS A 15 10.793 1.948 -12.758 1.00 0.00 H new ATOM 0 HA HIS A 15 9.569 2.955 -10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.052 3.433 -11.945 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.520 4.675 -10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.602 4.123 -8.190 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.683 0.431 -8.463 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.900 2.259 -6.838 1.00 0.00 H new ATOM 233 N SER A 16 7.875 4.149 -12.057 1.00 0.00 N ATOM 234 CA SER A 16 6.916 5.201 -12.337 1.00 0.00 C ATOM 235 C SER A 16 5.605 4.826 -11.667 1.00 0.00 C ATOM 236 O SER A 16 5.200 5.510 -10.731 1.00 0.00 O ATOM 237 CB SER A 16 6.773 5.465 -13.839 1.00 0.00 C ATOM 238 OG SER A 16 6.019 6.646 -14.036 1.00 0.00 O ATOM 0 H SER A 16 7.460 3.219 -12.006 1.00 0.00 H new ATOM 0 HA SER A 16 7.266 6.148 -11.926 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.757 5.567 -14.297 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.282 4.621 -14.323 1.00 0.00 H new ATOM 0 HG SER A 16 5.927 6.819 -14.996 1.00 0.00 H new ATOM 244 N CYS A 17 4.979 3.720 -12.079 1.00 0.00 N ATOM 245 CA CYS A 17 3.744 3.250 -11.467 1.00 0.00 C ATOM 246 C CYS A 17 3.925 3.130 -9.948 1.00 0.00 C ATOM 247 O CYS A 17 3.179 3.721 -9.166 1.00 0.00 O ATOM 248 CB CYS A 17 3.329 1.912 -12.093 1.00 0.00 C ATOM 249 SG CYS A 17 3.334 1.839 -13.903 1.00 0.00 S ATOM 0 H CYS A 17 5.315 3.132 -12.842 1.00 0.00 H new ATOM 0 HA CYS A 17 2.946 3.969 -11.652 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.996 1.136 -11.717 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.326 1.667 -11.743 1.00 0.00 H new ATOM 254 N THR A 18 4.966 2.392 -9.552 1.00 0.00 N ATOM 255 CA THR A 18 5.358 2.189 -8.167 1.00 0.00 C ATOM 256 C THR A 18 5.524 3.531 -7.448 1.00 0.00 C ATOM 257 O THR A 18 4.735 3.884 -6.574 1.00 0.00 O ATOM 258 CB THR A 18 6.669 1.386 -8.142 1.00 0.00 C ATOM 259 OG1 THR A 18 7.645 2.028 -8.946 1.00 0.00 O ATOM 260 CG2 THR A 18 6.476 -0.040 -8.663 1.00 0.00 C ATOM 0 H THR A 18 5.574 1.907 -10.212 1.00 0.00 H new ATOM 0 HA THR A 18 4.581 1.634 -7.642 1.00 0.00 H new ATOM 0 HB THR A 18 6.996 1.337 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.522 1.765 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.427 -0.572 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.747 -0.559 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.117 -0.006 -9.692 1.00 0.00 H new ATOM 268 N SER A 19 6.574 4.264 -7.822 1.00 0.00 N ATOM 269 CA SER A 19 6.989 5.524 -7.219 1.00 0.00 C ATOM 270 C SER A 19 5.826 6.514 -7.132 1.00 0.00 C ATOM 271 O SER A 19 5.613 7.129 -6.090 1.00 0.00 O ATOM 272 CB SER A 19 8.165 6.093 -8.025 1.00 0.00 C ATOM 273 OG SER A 19 8.718 7.217 -7.374 1.00 0.00 O ATOM 0 H SER A 19 7.184 3.979 -8.589 1.00 0.00 H new ATOM 0 HA SER A 19 7.313 5.346 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.930 5.327 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.827 6.374 -9.022 1.00 0.00 H new ATOM 0 HG SER A 19 9.467 7.565 -7.902 1.00 0.00 H new ATOM 279 N THR A 20 5.049 6.659 -8.208 1.00 0.00 N ATOM 280 CA THR A 20 3.903 7.555 -8.214 1.00 0.00 C ATOM 281 C THR A 20 2.903 7.129 -7.141 1.00 0.00 C ATOM 282 O THR A 20 2.413 7.981 -6.404 1.00 0.00 O ATOM 283 CB THR A 20 3.261 7.632 -9.607 1.00 0.00 C ATOM 284 OG1 THR A 20 4.235 8.032 -10.547 1.00 0.00 O ATOM 285 CG2 THR A 20 2.142 8.677 -9.652 1.00 0.00 C ATOM 0 H THR A 20 5.198 6.163 -9.087 1.00 0.00 H new ATOM 0 HA THR A 20 4.243 8.563 -7.975 1.00 0.00 H new ATOM 0 HB THR A 20 2.855 6.647 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.764 7.254 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.710 8.705 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.369 8.414 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.550 9.657 -9.406 1.00 0.00 H new ATOM 293 N ILE A 21 2.602 5.831 -7.025 1.00 0.00 N ATOM 294 CA ILE A 21 1.759 5.357 -5.935 1.00 0.00 C ATOM 295 C ILE A 21 2.415 5.665 -4.588 1.00 0.00 C ATOM 296 O ILE A 21 1.755 6.232 -3.725 1.00 0.00 O ATOM 297 CB ILE A 21 1.372 3.873 -6.135 1.00 0.00 C ATOM 298 CG1 ILE A 21 -0.105 3.786 -6.527 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.574 2.996 -4.898 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.449 2.510 -7.292 1.00 0.00 C ATOM 0 H ILE A 21 2.926 5.105 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 21 0.813 5.898 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 21 2.037 3.497 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.717 3.839 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.364 4.650 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.278 1.972 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.624 3.014 -4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.964 3.376 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.510 2.510 -7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.138 2.466 -8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.221 1.642 -6.673 1.00 0.00 H new ATOM 312 N GLU A 22 3.695 5.331 -4.408 1.00 0.00 N ATOM 313 CA GLU A 22 4.428 5.610 -3.178 1.00 0.00 C ATOM 314 C GLU A 22 4.216 7.075 -2.764 1.00 0.00 C ATOM 315 O GLU A 22 3.772 7.359 -1.653 1.00 0.00 O ATOM 316 CB GLU A 22 5.913 5.193 -3.329 1.00 0.00 C ATOM 317 CG GLU A 22 6.224 4.017 -2.384 1.00 0.00 C ATOM 318 CD GLU A 22 7.667 3.500 -2.375 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.582 4.338 -2.221 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.836 2.259 -2.439 1.00 0.00 O ATOM 0 H GLU A 22 4.253 4.856 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 22 4.039 5.007 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.116 4.906 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.563 6.038 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.965 4.319 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.568 3.187 -2.647 1.00 0.00 H new ATOM 327 N GLY A 23 4.448 8.004 -3.692 1.00 0.00 N ATOM 328 CA GLY A 23 4.202 9.422 -3.497 1.00 0.00 C ATOM 329 C GLY A 23 2.742 9.724 -3.153 1.00 0.00 C ATOM 330 O GLY A 23 2.459 10.344 -2.128 1.00 0.00 O ATOM 0 H GLY A 23 4.819 7.782 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.844 9.792 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.477 9.963 -4.402 1.00 0.00 H new ATOM 334 N LYS A 24 1.801 9.340 -4.024 1.00 0.00 N ATOM 335 CA LYS A 24 0.412 9.759 -3.888 1.00 0.00 C ATOM 336 C LYS A 24 -0.182 9.185 -2.604 1.00 0.00 C ATOM 337 O LYS A 24 -0.747 9.902 -1.782 1.00 0.00 O ATOM 338 CB LYS A 24 -0.413 9.339 -5.121 1.00 0.00 C ATOM 339 CG LYS A 24 -1.448 10.404 -5.518 1.00 0.00 C ATOM 340 CD LYS A 24 -0.798 11.582 -6.263 1.00 0.00 C ATOM 341 CE LYS A 24 -1.830 12.462 -6.990 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.377 11.818 -8.206 1.00 0.00 N ATOM 0 H LYS A 24 1.982 8.740 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 24 0.378 10.847 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.258 9.157 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.924 8.399 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.212 9.951 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.952 10.772 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.240 12.193 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.079 11.198 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.648 12.694 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.365 13.409 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.015 12.480 -8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.596 11.558 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.905 10.963 -7.938 1.00 0.00 H new ATOM 356 N ILE A 25 -0.045 7.873 -2.451 1.00 0.00 N ATOM 357 CA ILE A 25 -0.595 7.118 -1.343 1.00 0.00 C ATOM 358 C ILE A 25 0.161 7.464 -0.054 1.00 0.00 C ATOM 359 O ILE A 25 -0.408 7.431 1.034 1.00 0.00 O ATOM 360 CB ILE A 25 -0.596 5.618 -1.676 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.269 5.293 -3.014 1.00 0.00 C ATOM 362 CG2 ILE A 25 -1.171 4.776 -0.535 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.764 5.545 -3.002 1.00 0.00 C ATOM 0 H ILE A 25 0.467 7.293 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.636 7.392 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 25 0.452 5.343 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.811 5.894 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.084 4.248 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.152 3.723 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.572 4.924 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.199 5.081 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.183 5.296 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.231 4.925 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.954 6.596 -2.783 1.00 0.00 H new ATOM 375 N GLY A 26 1.428 7.873 -0.155 1.00 0.00 N ATOM 376 CA GLY A 26 2.119 8.493 0.963 1.00 0.00 C ATOM 377 C GLY A 26 1.327 9.658 1.569 1.00 0.00 C ATOM 378 O GLY A 26 1.423 9.906 2.768 1.00 0.00 O ATOM 0 H GLY A 26 1.990 7.783 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.303 7.744 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.092 8.854 0.630 1.00 0.00 H new ATOM 382 N LYS A 27 0.560 10.396 0.753 1.00 0.00 N ATOM 383 CA LYS A 27 -0.016 11.667 1.132 1.00 0.00 C ATOM 384 C LYS A 27 -1.350 11.553 1.888 1.00 0.00 C ATOM 385 O LYS A 27 -1.906 12.584 2.262 1.00 0.00 O ATOM 386 CB LYS A 27 -0.107 12.525 -0.143 1.00 0.00 C ATOM 387 CG LYS A 27 -0.233 14.015 0.176 1.00 0.00 C ATOM 388 CD LYS A 27 0.311 14.916 -0.946 1.00 0.00 C ATOM 389 CE LYS A 27 -0.492 14.854 -2.253 1.00 0.00 C ATOM 390 NZ LYS A 27 -1.809 15.514 -2.134 1.00 0.00 N ATOM 0 H LYS A 27 0.327 10.111 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 27 0.630 12.151 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.779 12.359 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.966 12.207 -0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.281 14.256 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.304 14.230 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.327 15.947 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.343 14.634 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.079 15.329 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.635 13.812 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.314 15.447 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.366 15.045 -1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.675 16.515 -1.886 1.00 0.00 H new ATOM 404 N LEU A 28 -1.898 10.352 2.121 1.00 0.00 N ATOM 405 CA LEU A 28 -3.119 10.225 2.901 1.00 0.00 C ATOM 406 C LEU A 28 -2.899 10.541 4.378 1.00 0.00 C ATOM 407 O LEU A 28 -1.821 10.332 4.936 1.00 0.00 O ATOM 408 CB LEU A 28 -3.669 8.817 2.805 1.00 0.00 C ATOM 409 CG LEU A 28 -4.315 8.589 1.432 1.00 0.00 C ATOM 410 CD1 LEU A 28 -3.636 7.433 0.738 1.00 0.00 C ATOM 411 CD2 LEU A 28 -5.803 8.311 1.586 1.00 0.00 C ATOM 0 H LEU A 28 -1.515 9.470 1.782 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.823 10.945 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.868 8.095 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.405 8.652 3.592 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.194 9.489 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.096 7.273 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.578 7.658 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.743 6.532 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.247 8.151 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.945 7.420 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.284 9.162 2.068 1.00 0.00 H new ATOM 423 N GLN A 29 -3.972 10.971 5.042 1.00 0.00 N ATOM 424 CA GLN A 29 -3.920 11.352 6.440 1.00 0.00 C ATOM 425 C GLN A 29 -4.027 10.157 7.394 1.00 0.00 C ATOM 426 O GLN A 29 -5.013 9.995 8.105 1.00 0.00 O ATOM 427 CB GLN A 29 -4.950 12.444 6.716 1.00 0.00 C ATOM 428 CG GLN A 29 -6.390 11.967 6.471 1.00 0.00 C ATOM 429 CD GLN A 29 -7.154 12.896 5.532 1.00 0.00 C ATOM 430 OE1 GLN A 29 -7.304 14.080 5.808 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.632 12.379 4.401 1.00 0.00 N ATOM 0 H GLN A 29 -4.896 11.062 4.621 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.932 11.766 6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.852 12.779 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.742 13.305 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.371 10.962 6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.916 11.903 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.494 11.390 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.136 12.972 3.742 1.00 0.00 H new ATOM 440 N GLY A 30 -2.982 9.335 7.414 1.00 0.00 N ATOM 441 CA GLY A 30 -2.907 8.167 8.299 1.00 0.00 C ATOM 442 C GLY A 30 -1.768 7.199 8.007 1.00 0.00 C ATOM 443 O GLY A 30 -1.837 6.047 8.435 1.00 0.00 O ATOM 0 H GLY A 30 -2.162 9.456 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.810 8.517 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.849 7.623 8.235 1.00 0.00 H new ATOM 447 N VAL A 31 -0.733 7.623 7.277 1.00 0.00 N ATOM 448 CA VAL A 31 0.261 6.729 6.728 1.00 0.00 C ATOM 449 C VAL A 31 1.582 6.981 7.431 1.00 0.00 C ATOM 450 O VAL A 31 1.908 8.125 7.738 1.00 0.00 O ATOM 451 CB VAL A 31 0.354 6.964 5.215 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.244 5.901 4.568 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.046 6.914 4.604 1.00 0.00 C ATOM 0 H VAL A 31 -0.570 8.605 7.055 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.010 5.685 6.887 1.00 0.00 H new ATOM 0 HB VAL A 31 0.794 7.945 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.302 6.079 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.244 5.953 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.821 4.913 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.980 7.081 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.491 5.937 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.667 7.688 5.054 1.00 0.00 H new ATOM 463 N GLN A 32 2.322 5.904 7.698 1.00 0.00 N ATOM 464 CA GLN A 32 3.592 5.962 8.395 1.00 0.00 C ATOM 465 C GLN A 32 4.724 5.599 7.443 1.00 0.00 C ATOM 466 O GLN A 32 5.742 6.287 7.420 1.00 0.00 O ATOM 467 CB GLN A 32 3.526 5.026 9.602 1.00 0.00 C ATOM 468 CG GLN A 32 2.891 5.712 10.807 1.00 0.00 C ATOM 469 CD GLN A 32 3.841 6.685 11.509 1.00 0.00 C ATOM 470 OE1 GLN A 32 3.903 7.858 11.156 1.00 0.00 O ATOM 471 NE2 GLN A 32 4.592 6.234 12.510 1.00 0.00 N ATOM 0 H GLN A 32 2.046 4.959 7.430 1.00 0.00 H new ATOM 0 HA GLN A 32 3.791 6.972 8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.951 4.137 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.531 4.692 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.001 6.251 10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.564 4.954 11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.530 5.256 12.793 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.229 6.866 12.994 1.00 0.00 H new ATOM 480 N ARG A 33 4.561 4.539 6.647 1.00 0.00 N ATOM 481 CA ARG A 33 5.516 4.168 5.623 1.00 0.00 C ATOM 482 C ARG A 33 4.744 3.547 4.468 1.00 0.00 C ATOM 483 O ARG A 33 3.571 3.194 4.578 1.00 0.00 O ATOM 484 CB ARG A 33 6.580 3.199 6.180 1.00 0.00 C ATOM 485 CG ARG A 33 8.004 3.616 5.781 1.00 0.00 C ATOM 486 CD ARG A 33 8.606 4.562 6.830 1.00 0.00 C ATOM 487 NE ARG A 33 9.556 5.519 6.240 1.00 0.00 N ATOM 488 CZ ARG A 33 10.251 6.423 6.948 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.189 6.413 8.284 1.00 0.00 N ATOM 490 NH2 ARG A 33 11.005 7.333 6.319 1.00 0.00 N ATOM 0 H ARG A 33 3.755 3.916 6.703 1.00 0.00 H new ATOM 0 HA ARG A 33 6.055 5.049 5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.504 3.163 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.381 2.192 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.632 2.731 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.985 4.108 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.804 5.109 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.113 3.976 7.596 1.00 0.00 H new ATOM 0 HE ARG A 33 9.695 5.494 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.614 5.719 8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.716 7.099 8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.052 7.340 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.532 8.019 6.859 1.00 0.00 H new ATOM 504 N ILE A 34 5.425 3.398 3.346 1.00 0.00 N ATOM 505 CA ILE A 34 4.895 2.779 2.168 1.00 0.00 C ATOM 506 C ILE A 34 6.124 2.285 1.420 1.00 0.00 C ATOM 507 O ILE A 34 7.129 2.996 1.357 1.00 0.00 O ATOM 508 CB ILE A 34 4.015 3.789 1.418 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.487 3.137 0.135 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.708 5.145 1.189 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.300 3.902 -0.449 1.00 0.00 C ATOM 0 H ILE A 34 6.388 3.717 3.237 1.00 0.00 H new ATOM 0 HA ILE A 34 4.228 1.935 2.342 1.00 0.00 H new ATOM 0 HB ILE A 34 3.160 4.044 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.287 3.090 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.188 2.110 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.033 5.813 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.970 5.587 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.613 4.996 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.958 3.405 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.489 3.926 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.605 4.921 -0.686 1.00 0.00 H new ATOM 523 N LYS A 35 6.088 1.031 0.983 1.00 0.00 N ATOM 524 CA LYS A 35 7.171 0.373 0.293 1.00 0.00 C ATOM 525 C LYS A 35 6.617 -0.468 -0.846 1.00 0.00 C ATOM 526 O LYS A 35 5.667 -1.202 -0.627 1.00 0.00 O ATOM 527 CB LYS A 35 8.113 -0.354 1.272 1.00 0.00 C ATOM 528 CG LYS A 35 9.284 0.512 1.757 1.00 0.00 C ATOM 529 CD LYS A 35 10.234 0.885 0.608 1.00 0.00 C ATOM 530 CE LYS A 35 11.432 1.714 1.087 1.00 0.00 C ATOM 531 NZ LYS A 35 11.552 2.966 0.307 1.00 0.00 N ATOM 0 H LYS A 35 5.272 0.431 1.108 1.00 0.00 H new ATOM 0 HA LYS A 35 7.822 1.109 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.538 -0.689 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.509 -1.246 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.897 1.421 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.838 -0.025 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.594 -0.025 0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.684 1.448 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.317 1.949 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.347 1.130 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.369 3.511 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.684 2.737 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.687 3.531 0.422 1.00 0.00 H new ATOM 545 N VAL A 36 7.144 -0.342 -2.065 1.00 0.00 N ATOM 546 CA VAL A 36 6.703 -1.164 -3.187 1.00 0.00 C ATOM 547 C VAL A 36 7.875 -1.988 -3.725 1.00 0.00 C ATOM 548 O VAL A 36 8.689 -1.510 -4.515 1.00 0.00 O ATOM 549 CB VAL A 36 5.989 -0.302 -4.237 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.427 -1.187 -5.354 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.803 0.438 -3.600 1.00 0.00 C ATOM 0 H VAL A 36 7.880 0.325 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 36 5.958 -1.889 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 36 6.715 0.407 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.923 -0.564 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.242 -1.730 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.716 -1.897 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.305 1.046 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.097 -0.287 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.164 1.081 -2.797 1.00 0.00 H new ATOM 561 N SER A 37 7.944 -3.250 -3.301 1.00 0.00 N ATOM 562 CA SER A 37 8.912 -4.232 -3.751 1.00 0.00 C ATOM 563 C SER A 37 8.569 -4.670 -5.176 1.00 0.00 C ATOM 564 O SER A 37 8.063 -5.774 -5.394 1.00 0.00 O ATOM 565 CB SER A 37 8.938 -5.409 -2.779 1.00 0.00 C ATOM 566 OG SER A 37 8.903 -4.960 -1.436 1.00 0.00 O ATOM 0 H SER A 37 7.298 -3.624 -2.606 1.00 0.00 H new ATOM 0 HA SER A 37 9.911 -3.797 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.086 -6.062 -2.970 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.838 -6.002 -2.944 1.00 0.00 H new ATOM 0 HG SER A 37 8.919 -5.732 -0.832 1.00 0.00 H new ATOM 572 N LEU A 38 8.845 -3.781 -6.132 1.00 0.00 N ATOM 573 CA LEU A 38 8.741 -3.998 -7.570 1.00 0.00 C ATOM 574 C LEU A 38 9.169 -5.410 -7.959 1.00 0.00 C ATOM 575 O LEU A 38 8.440 -6.095 -8.670 1.00 0.00 O ATOM 576 CB LEU A 38 9.604 -2.944 -8.272 1.00 0.00 C ATOM 577 CG LEU A 38 9.713 -3.133 -9.798 1.00 0.00 C ATOM 578 CD1 LEU A 38 9.412 -1.816 -10.518 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.122 -3.593 -10.191 1.00 0.00 C ATOM 0 H LEU A 38 9.165 -2.839 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 38 7.701 -3.897 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.190 -1.957 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.605 -2.965 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 38 8.988 -3.893 -10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.492 -1.963 -11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.402 -1.489 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.127 -1.057 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.175 -3.720 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.850 -2.845 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.344 -4.542 -9.703 1.00 0.00 H new ATOM 591 N ASP A 39 10.331 -5.852 -7.476 1.00 0.00 N ATOM 592 CA ASP A 39 10.952 -7.120 -7.822 1.00 0.00 C ATOM 593 C ASP A 39 9.961 -8.267 -7.741 1.00 0.00 C ATOM 594 O ASP A 39 9.779 -9.024 -8.691 1.00 0.00 O ATOM 595 CB ASP A 39 12.092 -7.434 -6.839 1.00 0.00 C ATOM 596 CG ASP A 39 13.049 -6.269 -6.625 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.540 -5.212 -6.181 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.252 -6.455 -6.901 1.00 0.00 O ATOM 0 H ASP A 39 10.882 -5.312 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 39 11.323 -7.024 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.664 -7.723 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.654 -8.292 -7.209 1.00 0.00 H new ATOM 603 N ASN A 40 9.352 -8.401 -6.561 1.00 0.00 N ATOM 604 CA ASN A 40 8.393 -9.455 -6.293 1.00 0.00 C ATOM 605 C ASN A 40 6.973 -8.999 -6.653 1.00 0.00 C ATOM 606 O ASN A 40 6.018 -9.756 -6.512 1.00 0.00 O ATOM 607 CB ASN A 40 8.499 -9.936 -4.850 1.00 0.00 C ATOM 608 CG ASN A 40 8.490 -11.460 -4.752 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.483 -12.078 -4.427 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.639 -12.081 -5.013 1.00 0.00 N ATOM 0 H ASN A 40 9.515 -7.778 -5.770 1.00 0.00 H new ATOM 0 HA ASN A 40 8.628 -10.309 -6.928 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.416 -9.550 -4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.669 -9.531 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.697 -13.097 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.461 -11.541 -5.281 1.00 0.00 H new ATOM 617 N GLN A 41 6.850 -7.736 -7.076 1.00 0.00 N ATOM 618 CA GLN A 41 5.630 -7.006 -7.348 1.00 0.00 C ATOM 619 C GLN A 41 4.700 -7.042 -6.127 1.00 0.00 C ATOM 620 O GLN A 41 3.533 -7.425 -6.204 1.00 0.00 O ATOM 621 CB GLN A 41 5.029 -7.500 -8.676 1.00 0.00 C ATOM 622 CG GLN A 41 4.833 -6.367 -9.688 1.00 0.00 C ATOM 623 CD GLN A 41 4.471 -6.949 -11.047 1.00 0.00 C ATOM 624 OE1 GLN A 41 5.085 -6.650 -12.064 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.479 -7.831 -11.071 1.00 0.00 N ATOM 0 H GLN A 41 7.675 -7.161 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 41 5.822 -5.944 -7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.682 -8.259 -9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.069 -7.979 -8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.045 -5.695 -9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.745 -5.775 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.983 -8.064 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.213 -8.276 -11.950 1.00 0.00 H new ATOM 634 N GLU A 42 5.245 -6.613 -4.984 1.00 0.00 N ATOM 635 CA GLU A 42 4.568 -6.611 -3.685 1.00 0.00 C ATOM 636 C GLU A 42 4.560 -5.186 -3.112 1.00 0.00 C ATOM 637 O GLU A 42 5.578 -4.501 -3.150 1.00 0.00 O ATOM 638 CB GLU A 42 5.277 -7.594 -2.737 1.00 0.00 C ATOM 639 CG GLU A 42 4.506 -7.891 -1.435 1.00 0.00 C ATOM 640 CD GLU A 42 3.557 -9.087 -1.501 1.00 0.00 C ATOM 641 OE1 GLU A 42 3.868 -10.057 -2.226 1.00 0.00 O ATOM 642 OE2 GLU A 42 2.549 -9.046 -0.762 1.00 0.00 O ATOM 0 H GLU A 42 6.196 -6.247 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 42 3.534 -6.935 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.447 -8.532 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.257 -7.190 -2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.227 -8.063 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.932 -7.006 -1.161 1.00 0.00 H new ATOM 649 N ALA A 43 3.425 -4.751 -2.562 1.00 0.00 N ATOM 650 CA ALA A 43 3.199 -3.447 -1.961 1.00 0.00 C ATOM 651 C ALA A 43 3.084 -3.591 -0.441 1.00 0.00 C ATOM 652 O ALA A 43 2.086 -4.090 0.074 1.00 0.00 O ATOM 653 CB ALA A 43 1.943 -2.811 -2.561 1.00 0.00 C ATOM 0 H ALA A 43 2.593 -5.339 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 43 4.043 -2.791 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.778 -1.834 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.073 -2.694 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.083 -3.451 -2.367 1.00 0.00 H new ATOM 659 N THR A 44 4.128 -3.150 0.255 1.00 0.00 N ATOM 660 CA THR A 44 4.260 -2.970 1.692 1.00 0.00 C ATOM 661 C THR A 44 3.622 -1.639 2.098 1.00 0.00 C ATOM 662 O THR A 44 4.301 -0.621 2.179 1.00 0.00 O ATOM 663 CB THR A 44 5.768 -2.956 2.015 1.00 0.00 C ATOM 664 OG1 THR A 44 6.310 -4.201 1.605 1.00 0.00 O ATOM 665 CG2 THR A 44 6.036 -2.830 3.522 1.00 0.00 C ATOM 0 H THR A 44 4.988 -2.884 -0.225 1.00 0.00 H new ATOM 0 HA THR A 44 3.761 -3.771 2.237 1.00 0.00 H new ATOM 0 HB THR A 44 6.214 -2.103 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.271 -4.219 1.798 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.111 -2.824 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.602 -1.901 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.586 -3.675 4.043 1.00 0.00 H new ATOM 673 N ILE A 45 2.324 -1.622 2.373 1.00 0.00 N ATOM 674 CA ILE A 45 1.628 -0.415 2.802 1.00 0.00 C ATOM 675 C ILE A 45 1.681 -0.361 4.334 1.00 0.00 C ATOM 676 O ILE A 45 1.298 -1.345 4.963 1.00 0.00 O ATOM 677 CB ILE A 45 0.203 -0.490 2.231 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.212 -0.182 0.720 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.777 0.413 2.978 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.253 1.314 0.408 1.00 0.00 C ATOM 0 H ILE A 45 1.724 -2.444 2.305 1.00 0.00 H new ATOM 0 HA ILE A 45 2.082 0.506 2.437 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.151 -1.511 2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.076 -0.665 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.676 -0.617 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.768 0.321 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.820 0.115 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.443 1.448 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.257 1.460 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.624 1.799 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.155 1.751 0.837 1.00 0.00 H new ATOM 692 N VAL A 46 2.178 0.730 4.945 1.00 0.00 N ATOM 693 CA VAL A 46 2.376 0.793 6.396 1.00 0.00 C ATOM 694 C VAL A 46 1.624 1.986 6.983 1.00 0.00 C ATOM 695 O VAL A 46 2.102 3.123 6.922 1.00 0.00 O ATOM 696 CB VAL A 46 3.872 0.819 6.737 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.099 0.582 8.230 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.612 -0.250 5.936 1.00 0.00 C ATOM 0 H VAL A 46 2.449 1.580 4.450 1.00 0.00 H new ATOM 0 HA VAL A 46 1.962 -0.106 6.853 1.00 0.00 H new ATOM 0 HB VAL A 46 4.258 1.805 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.168 0.606 8.444 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.597 1.362 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.694 -0.391 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.673 -0.223 6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.207 -1.232 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.485 -0.059 4.870 1.00 0.00 H new ATOM 708 N TYR A 47 0.445 1.737 7.557 1.00 0.00 N ATOM 709 CA TYR A 47 -0.414 2.807 8.043 1.00 0.00 C ATOM 710 C TYR A 47 -0.652 2.724 9.538 1.00 0.00 C ATOM 711 O TYR A 47 -0.496 1.666 10.148 1.00 0.00 O ATOM 712 CB TYR A 47 -1.721 2.862 7.239 1.00 0.00 C ATOM 713 CG TYR A 47 -2.673 1.676 7.335 1.00 0.00 C ATOM 714 CD1 TYR A 47 -3.386 1.438 8.525 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.054 0.988 6.167 1.00 0.00 C ATOM 716 CE1 TYR A 47 -4.458 0.533 8.553 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.156 0.117 6.181 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.856 -0.113 7.377 1.00 0.00 C ATOM 719 OH TYR A 47 -5.952 -0.924 7.390 1.00 0.00 O ATOM 0 H TYR A 47 0.067 0.800 7.695 1.00 0.00 H new ATOM 0 HA TYR A 47 0.109 3.750 7.882 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.266 3.753 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.461 2.997 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.104 1.959 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.495 1.131 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.975 0.335 9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.465 -0.376 5.271 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.587 -0.605 8.065 1.00 0.00 H new ATOM 729 N GLN A 48 -1.059 3.857 10.111 1.00 0.00 N ATOM 730 CA GLN A 48 -1.499 3.931 11.488 1.00 0.00 C ATOM 731 C GLN A 48 -2.967 3.504 11.526 1.00 0.00 C ATOM 732 O GLN A 48 -3.758 4.007 10.723 1.00 0.00 O ATOM 733 CB GLN A 48 -1.348 5.367 12.010 1.00 0.00 C ATOM 734 CG GLN A 48 -0.362 5.424 13.183 1.00 0.00 C ATOM 735 CD GLN A 48 -0.598 6.616 14.104 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.699 6.811 14.606 1.00 0.00 O ATOM 737 NE2 GLN A 48 0.434 7.412 14.364 1.00 0.00 N ATOM 0 H GLN A 48 -1.090 4.751 9.621 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.897 3.278 12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.000 6.015 11.206 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.319 5.746 12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.441 4.504 13.762 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.655 5.469 12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.340 7.229 13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.320 8.206 14.994 1.00 0.00 H new ATOM 746 N PRO A 49 -3.356 2.591 12.429 1.00 0.00 N ATOM 747 CA PRO A 49 -4.752 2.237 12.584 1.00 0.00 C ATOM 748 C PRO A 49 -5.535 3.473 13.031 1.00 0.00 C ATOM 749 O PRO A 49 -4.950 4.470 13.453 1.00 0.00 O ATOM 750 CB PRO A 49 -4.784 1.103 13.613 1.00 0.00 C ATOM 751 CG PRO A 49 -3.489 1.268 14.415 1.00 0.00 C ATOM 752 CD PRO A 49 -2.539 2.031 13.493 1.00 0.00 C ATOM 0 HA PRO A 49 -5.218 1.900 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.660 1.177 14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.827 0.128 13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.666 1.818 15.339 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.073 0.300 14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.019 2.819 14.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.776 1.367 13.087 1.00 0.00 H new ATOM 760 N HIS A 50 -6.861 3.427 12.900 1.00 0.00 N ATOM 761 CA HIS A 50 -7.767 4.507 13.272 1.00 0.00 C ATOM 762 C HIS A 50 -7.714 5.684 12.286 1.00 0.00 C ATOM 763 O HIS A 50 -8.766 6.215 11.939 1.00 0.00 O ATOM 764 CB HIS A 50 -7.553 4.935 14.736 1.00 0.00 C ATOM 765 CG HIS A 50 -8.718 5.666 15.359 1.00 0.00 C ATOM 766 ND1 HIS A 50 -8.643 6.845 16.065 1.00 0.00 N ATOM 767 CD2 HIS A 50 -10.000 5.195 15.481 1.00 0.00 C ATOM 768 CE1 HIS A 50 -9.859 7.085 16.585 1.00 0.00 C ATOM 769 NE2 HIS A 50 -10.719 6.107 16.258 1.00 0.00 N ATOM 0 H HIS A 50 -7.345 2.613 12.521 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.783 4.119 13.203 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -7.339 4.048 15.332 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.672 5.574 14.788 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.385 4.282 15.053 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.110 7.947 17.185 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.702 6.043 16.524 1.00 0.00 H new ATOM 777 N LEU A 51 -6.529 6.106 11.821 1.00 0.00 N ATOM 778 CA LEU A 51 -6.418 7.245 10.929 1.00 0.00 C ATOM 779 C LEU A 51 -6.981 6.927 9.539 1.00 0.00 C ATOM 780 O LEU A 51 -7.758 7.708 8.994 1.00 0.00 O ATOM 781 CB LEU A 51 -4.977 7.729 10.876 1.00 0.00 C ATOM 782 CG LEU A 51 -4.463 8.217 12.239 1.00 0.00 C ATOM 783 CD1 LEU A 51 -2.995 8.644 12.121 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.242 9.414 12.802 1.00 0.00 C ATOM 0 H LEU A 51 -5.638 5.667 12.055 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.026 8.059 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.339 6.919 10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.897 8.539 10.151 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.594 7.375 12.918 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.637 8.989 13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.394 7.795 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.908 9.452 11.394 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.821 9.701 13.766 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.170 10.253 12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.289 9.139 12.931 1.00 0.00 H new ATOM 796 N ILE A 52 -6.576 5.793 8.956 1.00 0.00 N ATOM 797 CA ILE A 52 -6.938 5.359 7.621 1.00 0.00 C ATOM 798 C ILE A 52 -7.149 3.840 7.648 1.00 0.00 C ATOM 799 O ILE A 52 -7.003 3.222 8.704 1.00 0.00 O ATOM 800 CB ILE A 52 -5.812 5.824 6.680 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.380 6.375 5.385 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.748 4.762 6.385 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.817 7.837 5.515 1.00 0.00 C ATOM 0 H ILE A 52 -5.961 5.131 9.430 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.872 5.789 7.259 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.297 6.616 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.631 6.291 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.233 5.769 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.995 5.177 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.274 4.454 7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.217 3.898 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.216 8.184 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.587 7.920 6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.960 8.450 5.794 1.00 0.00 H new ATOM 815 N SER A 53 -7.499 3.223 6.513 1.00 0.00 N ATOM 816 CA SER A 53 -7.838 1.809 6.459 1.00 0.00 C ATOM 817 C SER A 53 -7.458 1.192 5.112 1.00 0.00 C ATOM 818 O SER A 53 -7.236 1.912 4.131 1.00 0.00 O ATOM 819 CB SER A 53 -9.340 1.658 6.722 1.00 0.00 C ATOM 820 OG SER A 53 -10.067 2.343 5.717 1.00 0.00 O ATOM 0 H SER A 53 -7.553 3.696 5.611 1.00 0.00 H new ATOM 0 HA SER A 53 -7.271 1.275 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.614 0.603 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.590 2.059 7.704 1.00 0.00 H new ATOM 0 HG SER A 53 -11.028 2.245 5.884 1.00 0.00 H new ATOM 826 N VAL A 54 -7.418 -0.149 5.067 1.00 0.00 N ATOM 827 CA VAL A 54 -7.198 -0.913 3.844 1.00 0.00 C ATOM 828 C VAL A 54 -8.060 -0.390 2.703 1.00 0.00 C ATOM 829 O VAL A 54 -7.574 -0.279 1.586 1.00 0.00 O ATOM 830 CB VAL A 54 -7.466 -2.419 4.018 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.147 -3.125 2.693 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.618 -3.069 5.114 1.00 0.00 C ATOM 0 H VAL A 54 -7.540 -0.734 5.894 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.143 -0.782 3.605 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.511 -2.524 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.331 -4.194 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.782 -2.722 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.101 -2.960 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.860 -4.130 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.561 -2.952 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.828 -2.589 6.070 1.00 0.00 H new ATOM 842 N GLU A 55 -9.344 -0.127 2.946 1.00 0.00 N ATOM 843 CA GLU A 55 -10.233 0.251 1.864 1.00 0.00 C ATOM 844 C GLU A 55 -9.774 1.563 1.228 1.00 0.00 C ATOM 845 O GLU A 55 -9.754 1.650 0.014 1.00 0.00 O ATOM 846 CB GLU A 55 -11.674 0.315 2.362 1.00 0.00 C ATOM 847 CG GLU A 55 -12.728 0.434 1.267 1.00 0.00 C ATOM 848 CD GLU A 55 -12.883 -0.827 0.424 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.192 -1.888 1.001 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.684 -0.727 -0.808 1.00 0.00 O ATOM 0 H GLU A 55 -9.780 -0.169 3.867 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.196 -0.509 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.880 -0.580 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.773 1.167 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.688 0.675 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.468 1.267 0.614 1.00 0.00 H new ATOM 857 N GLU A 56 -9.368 2.567 2.010 1.00 0.00 N ATOM 858 CA GLU A 56 -8.878 3.820 1.467 1.00 0.00 C ATOM 859 C GLU A 56 -7.649 3.520 0.625 1.00 0.00 C ATOM 860 O GLU A 56 -7.624 3.850 -0.557 1.00 0.00 O ATOM 861 CB GLU A 56 -8.578 4.835 2.586 1.00 0.00 C ATOM 862 CG GLU A 56 -9.647 5.937 2.630 1.00 0.00 C ATOM 863 CD GLU A 56 -9.645 6.777 1.355 1.00 0.00 C ATOM 864 OE1 GLU A 56 -8.643 7.494 1.153 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.626 6.665 0.588 1.00 0.00 O ATOM 0 H GLU A 56 -9.373 2.527 3.029 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.641 4.281 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.540 4.322 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.597 5.281 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.630 5.486 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.470 6.582 3.491 1.00 0.00 H new ATOM 872 N MET A 57 -6.655 2.844 1.210 1.00 0.00 N ATOM 873 CA MET A 57 -5.507 2.380 0.465 1.00 0.00 C ATOM 874 C MET A 57 -5.891 1.719 -0.865 1.00 0.00 C ATOM 875 O MET A 57 -5.556 2.235 -1.922 1.00 0.00 O ATOM 876 CB MET A 57 -4.703 1.457 1.360 1.00 0.00 C ATOM 877 CG MET A 57 -4.050 2.184 2.529 1.00 0.00 C ATOM 878 SD MET A 57 -2.776 3.341 1.977 1.00 0.00 S ATOM 879 CE MET A 57 -2.062 3.836 3.540 1.00 0.00 C ATOM 0 H MET A 57 -6.634 2.611 2.203 1.00 0.00 H new ATOM 0 HA MET A 57 -4.894 3.236 0.181 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.356 0.673 1.745 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.931 0.966 0.767 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.812 2.724 3.092 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.608 1.455 3.209 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.142 4.393 3.360 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.768 4.467 4.079 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.839 2.950 4.135 1.00 0.00 H new ATOM 889 N LYS A 58 -6.591 0.587 -0.839 1.00 0.00 N ATOM 890 CA LYS A 58 -6.982 -0.130 -2.041 1.00 0.00 C ATOM 891 C LYS A 58 -7.782 0.746 -2.982 1.00 0.00 C ATOM 892 O LYS A 58 -7.383 0.896 -4.124 1.00 0.00 O ATOM 893 CB LYS A 58 -7.657 -1.455 -1.696 1.00 0.00 C ATOM 894 CG LYS A 58 -8.664 -2.022 -2.706 1.00 0.00 C ATOM 895 CD LYS A 58 -10.080 -1.974 -2.122 1.00 0.00 C ATOM 896 CE LYS A 58 -11.094 -2.580 -3.099 1.00 0.00 C ATOM 897 NZ LYS A 58 -12.422 -2.700 -2.466 1.00 0.00 N ATOM 0 H LYS A 58 -6.903 0.142 0.024 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.081 -0.392 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.876 -2.201 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.170 -1.333 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.625 -1.448 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.400 -3.050 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.107 -2.519 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.353 -0.942 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.165 -1.956 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.751 -3.562 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.162 -2.511 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.541 -3.662 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.500 -2.012 -1.690 1.00 0.00 H new ATOM 911 N LYS A 59 -8.896 1.313 -2.540 1.00 0.00 N ATOM 912 CA LYS A 59 -9.729 2.181 -3.353 1.00 0.00 C ATOM 913 C LYS A 59 -8.854 3.194 -4.083 1.00 0.00 C ATOM 914 O LYS A 59 -8.980 3.368 -5.292 1.00 0.00 O ATOM 915 CB LYS A 59 -10.774 2.840 -2.453 1.00 0.00 C ATOM 916 CG LYS A 59 -11.967 3.457 -3.188 1.00 0.00 C ATOM 917 CD LYS A 59 -11.717 4.925 -3.557 1.00 0.00 C ATOM 918 CE LYS A 59 -12.013 5.167 -5.041 1.00 0.00 C ATOM 919 NZ LYS A 59 -11.798 6.580 -5.408 1.00 0.00 N ATOM 0 H LYS A 59 -9.249 1.179 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.259 1.613 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.146 2.096 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.287 3.618 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.170 2.885 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.855 3.387 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.346 5.571 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.682 5.189 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.372 4.529 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.043 4.885 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.007 6.712 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.427 7.185 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.808 6.840 -5.222 1.00 0.00 H new ATOM 933 N GLN A 60 -7.937 3.824 -3.352 1.00 0.00 N ATOM 934 CA GLN A 60 -7.009 4.777 -3.951 1.00 0.00 C ATOM 935 C GLN A 60 -6.028 4.109 -4.932 1.00 0.00 C ATOM 936 O GLN A 60 -5.749 4.660 -5.996 1.00 0.00 O ATOM 937 CB GLN A 60 -6.270 5.520 -2.843 1.00 0.00 C ATOM 938 CG GLN A 60 -7.220 6.403 -2.020 1.00 0.00 C ATOM 939 CD GLN A 60 -7.494 7.735 -2.707 1.00 0.00 C ATOM 940 OE1 GLN A 60 -8.405 7.849 -3.526 1.00 0.00 O ATOM 941 NE2 GLN A 60 -6.685 8.748 -2.406 1.00 0.00 N ATOM 0 H GLN A 60 -7.818 3.692 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.585 5.488 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.781 4.801 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.485 6.138 -3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.161 5.876 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.787 6.584 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.939 8.619 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.811 9.653 -2.859 1.00 0.00 H new ATOM 950 N ILE A 61 -5.481 2.945 -4.582 1.00 0.00 N ATOM 951 CA ILE A 61 -4.527 2.202 -5.401 1.00 0.00 C ATOM 952 C ILE A 61 -5.223 1.646 -6.640 1.00 0.00 C ATOM 953 O ILE A 61 -4.903 2.059 -7.752 1.00 0.00 O ATOM 954 CB ILE A 61 -3.829 1.121 -4.563 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.914 1.856 -3.572 1.00 0.00 C ATOM 956 CG2 ILE A 61 -3.015 0.167 -5.456 1.00 0.00 C ATOM 957 CD1 ILE A 61 -2.188 0.913 -2.620 1.00 0.00 C ATOM 0 H ILE A 61 -5.695 2.482 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.743 2.872 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.560 0.506 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.179 2.439 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.508 2.562 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.532 -0.588 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.680 -0.320 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.256 0.733 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.558 1.492 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.918 0.348 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.568 0.223 -3.193 1.00 0.00 H new ATOM 969 N GLU A 62 -6.176 0.726 -6.463 1.00 0.00 N ATOM 970 CA GLU A 62 -7.001 0.219 -7.539 1.00 0.00 C ATOM 971 C GLU A 62 -7.524 1.348 -8.438 1.00 0.00 C ATOM 972 O GLU A 62 -7.521 1.184 -9.656 1.00 0.00 O ATOM 973 CB GLU A 62 -8.144 -0.603 -6.920 1.00 0.00 C ATOM 974 CG GLU A 62 -8.154 -2.061 -7.378 1.00 0.00 C ATOM 975 CD GLU A 62 -9.352 -2.794 -6.786 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.334 -3.010 -5.554 1.00 0.00 O ATOM 977 OE2 GLU A 62 -10.285 -3.091 -7.560 1.00 0.00 O ATOM 0 H GLU A 62 -6.391 0.314 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.404 -0.421 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.059 -0.571 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.097 -0.141 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.193 -2.107 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.231 -2.552 -7.071 1.00 0.00 H new ATOM 984 N ALA A 63 -7.927 2.503 -7.880 1.00 0.00 N ATOM 985 CA ALA A 63 -8.385 3.622 -8.706 1.00 0.00 C ATOM 986 C ALA A 63 -7.372 4.042 -9.774 1.00 0.00 C ATOM 987 O ALA A 63 -7.777 4.489 -10.845 1.00 0.00 O ATOM 988 CB ALA A 63 -8.738 4.835 -7.850 1.00 0.00 C ATOM 0 H ALA A 63 -7.943 2.680 -6.876 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.275 3.257 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.074 5.648 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.534 4.570 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.858 5.154 -7.291 1.00 0.00 H new ATOM 994 N MET A 64 -6.068 3.927 -9.500 1.00 0.00 N ATOM 995 CA MET A 64 -5.050 4.182 -10.504 1.00 0.00 C ATOM 996 C MET A 64 -5.249 3.265 -11.715 1.00 0.00 C ATOM 997 O MET A 64 -5.092 3.699 -12.854 1.00 0.00 O ATOM 998 CB MET A 64 -3.662 3.950 -9.912 1.00 0.00 C ATOM 999 CG MET A 64 -3.319 4.808 -8.694 1.00 0.00 C ATOM 1000 SD MET A 64 -3.574 6.590 -8.858 1.00 0.00 S ATOM 1001 CE MET A 64 -2.730 7.147 -7.363 1.00 0.00 C ATOM 0 H MET A 64 -5.700 3.658 -8.587 1.00 0.00 H new ATOM 0 HA MET A 64 -5.138 5.219 -10.827 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.575 2.900 -9.632 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.919 4.136 -10.687 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.914 4.455 -7.851 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.273 4.636 -8.440 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.239 8.024 -6.963 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.742 6.350 -6.620 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.698 7.405 -7.602 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.568 1.994 -11.454 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.828 0.981 -12.468 1.00 0.00 C ATOM 1013 C GLY A 65 -5.176 -0.347 -12.096 1.00 0.00 C ATOM 1014 O GLY A 65 -5.508 -1.386 -12.661 1.00 0.00 O ATOM 0 H GLY A 65 -5.654 1.636 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.903 0.843 -12.581 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.447 1.320 -13.431 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.227 -0.319 -11.157 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.425 -1.473 -10.798 1.00 0.00 C ATOM 1020 C PHE A 66 -4.204 -2.353 -9.821 1.00 0.00 C ATOM 1021 O PHE A 66 -4.483 -1.889 -8.716 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.146 -0.973 -10.128 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.367 0.032 -10.951 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.825 -0.331 -12.199 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.289 1.366 -10.518 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.275 0.657 -13.034 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.732 2.350 -11.347 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.277 2.002 -12.626 1.00 0.00 C ATOM 0 H PHE A 66 -3.997 0.519 -10.623 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.184 -2.058 -11.686 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.404 -0.520 -9.171 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.503 -1.827 -9.914 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.832 -1.364 -12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.660 1.635 -9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.149 0.383 -13.989 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.654 3.370 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.073 2.770 -13.300 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.545 -3.604 -10.164 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.157 -4.501 -9.200 1.00 0.00 C ATOM 1040 C PRO A 67 -4.153 -4.785 -8.080 1.00 0.00 C ATOM 1041 O PRO A 67 -2.940 -4.723 -8.303 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.520 -5.761 -9.988 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.460 -5.786 -11.085 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.227 -4.308 -11.397 1.00 0.00 C ATOM 0 HA PRO A 67 -6.047 -4.086 -8.726 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.479 -6.654 -9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.528 -5.705 -10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.545 -6.273 -10.747 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.805 -6.331 -11.963 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.195 -4.127 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.863 -3.973 -12.217 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.655 -5.069 -6.873 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.824 -5.406 -5.732 1.00 0.00 C ATOM 1054 C ALA A 68 -4.506 -6.459 -4.867 1.00 0.00 C ATOM 1055 O ALA A 68 -5.706 -6.367 -4.618 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.529 -4.163 -4.895 1.00 0.00 C ATOM 0 H ALA A 68 -5.654 -5.069 -6.668 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.883 -5.810 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.905 -4.437 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.006 -3.428 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.465 -3.736 -4.535 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.741 -7.434 -4.371 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.240 -8.503 -3.521 1.00 0.00 C ATOM 1064 C PHE A 69 -3.735 -8.277 -2.103 1.00 0.00 C ATOM 1065 O PHE A 69 -2.815 -8.965 -1.661 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.795 -9.858 -4.068 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.624 -10.390 -5.215 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.373 -9.966 -6.533 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.635 -11.338 -4.965 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.116 -10.504 -7.598 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.367 -11.887 -6.032 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.104 -11.472 -7.349 1.00 0.00 C ATOM 0 H PHE A 69 -2.740 -7.499 -4.556 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.330 -8.499 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.759 -9.777 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.817 -10.585 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.609 -9.227 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.848 -11.644 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.927 -10.173 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.130 -12.627 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.662 -11.897 -8.170 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.338 -7.314 -1.403 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.108 -7.069 0.017 1.00 0.00 C ATOM 1084 C VAL A 70 -4.545 -8.274 0.853 1.00 0.00 C ATOM 1085 O VAL A 70 -5.741 -8.498 1.021 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.707 -5.730 0.468 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.207 -5.632 0.232 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.369 -5.475 1.944 1.00 0.00 C ATOM 0 H VAL A 70 -5.013 -6.671 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.037 -6.963 0.188 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.254 -4.955 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.566 -4.661 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.416 -5.743 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.715 -6.422 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.798 -4.523 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.782 -6.277 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.287 -5.444 2.069 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.599 -9.067 1.372 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.932 -10.195 2.224 1.00 0.00 C ATOM 1100 C LYS A 71 -2.798 -10.606 3.166 1.00 0.00 C ATOM 1101 O LYS A 71 -2.395 -11.767 3.208 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.483 -11.343 1.389 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.490 -11.780 0.327 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.080 -12.974 -0.436 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.046 -13.643 -1.351 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.616 -14.814 -2.052 1.00 0.00 N ATOM 0 H LYS A 71 -2.600 -8.941 1.212 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.724 -9.875 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.719 -12.186 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.415 -11.035 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.284 -10.958 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.542 -12.057 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.461 -13.706 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.928 -12.639 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.685 -12.920 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.185 -13.955 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.890 -15.241 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.938 -15.514 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.422 -14.511 -2.635 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.328 -9.667 3.982 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.432 -9.921 5.097 1.00 0.00 C ATOM 1122 C LYS A 72 -1.640 -8.776 6.081 1.00 0.00 C ATOM 1123 O LYS A 72 -1.871 -7.652 5.642 1.00 0.00 O ATOM 1124 CB LYS A 72 0.030 -9.945 4.630 1.00 0.00 C ATOM 1125 CG LYS A 72 0.553 -11.344 4.279 1.00 0.00 C ATOM 1126 CD LYS A 72 2.053 -11.276 3.950 1.00 0.00 C ATOM 1127 CE LYS A 72 2.713 -12.661 3.889 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.834 -13.291 5.222 1.00 0.00 N ATOM 0 H LYS A 72 -2.569 -8.681 3.880 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.644 -10.889 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.132 -9.301 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.657 -9.520 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.386 -12.024 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.003 -11.744 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.188 -10.772 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.558 -10.671 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.129 -13.310 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.703 -12.568 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.404 -14.158 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.296 -12.629 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.887 -13.530 5.580 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.560 -9.078 7.378 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.622 -8.121 8.471 1.00 0.00 C ATOM 1144 C ILE A 73 -0.455 -8.483 9.397 1.00 0.00 C ATOM 1145 O ILE A 73 -0.642 -8.960 10.513 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.001 -8.172 9.166 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.166 -7.938 8.182 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.081 -7.091 10.259 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.736 -9.233 7.589 1.00 0.00 C ATOM 0 H ILE A 73 -1.445 -10.038 7.703 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.523 -7.089 8.135 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.097 -9.171 9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.963 -7.402 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.822 -7.297 7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.057 -7.135 10.743 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.300 -7.264 11.000 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.943 -6.108 9.809 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.551 -8.993 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.952 -9.761 7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.111 -9.867 8.393 1.00 0.00 H new ATOM 1161 N GLU A 74 0.770 -8.345 8.885 1.00 0.00 N ATOM 1162 CA GLU A 74 1.975 -8.728 9.607 1.00 0.00 C ATOM 1163 C GLU A 74 2.359 -7.559 10.523 1.00 0.00 C ATOM 1164 O GLU A 74 3.025 -6.626 10.088 1.00 0.00 O ATOM 1165 CB GLU A 74 3.039 -9.145 8.575 1.00 0.00 C ATOM 1166 CG GLU A 74 4.314 -9.751 9.175 1.00 0.00 C ATOM 1167 CD GLU A 74 5.440 -8.726 9.260 1.00 0.00 C ATOM 1168 OE1 GLU A 74 5.881 -8.298 8.167 1.00 0.00 O ATOM 1169 OE2 GLU A 74 5.841 -8.417 10.400 1.00 0.00 O ATOM 0 H GLU A 74 0.950 -7.963 7.956 1.00 0.00 H new ATOM 0 HA GLU A 74 1.845 -9.592 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.597 -9.869 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.312 -8.272 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.099 -10.139 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.636 -10.596 8.567 1.00 0.00 H new ATOM 1176 N GLY A 75 1.864 -7.562 11.764 1.00 0.00 N ATOM 1177 CA GLY A 75 2.028 -6.454 12.697 1.00 0.00 C ATOM 1178 C GLY A 75 2.045 -6.934 14.148 1.00 0.00 C ATOM 1179 O GLY A 75 2.089 -8.135 14.409 1.00 0.00 O ATOM 0 H GLY A 75 1.334 -8.344 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.957 -5.928 12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.216 -5.739 12.560 1.00 0.00 H new ATOM 1183 N ARG A 76 2.026 -5.975 15.079 1.00 0.00 N ATOM 1184 CA ARG A 76 1.898 -6.186 16.514 1.00 0.00 C ATOM 1185 C ARG A 76 0.500 -5.741 16.923 1.00 0.00 C ATOM 1186 O ARG A 76 -0.077 -4.933 16.160 1.00 0.00 O ATOM 1187 CB ARG A 76 2.946 -5.342 17.261 1.00 0.00 C ATOM 1188 CG ARG A 76 4.180 -6.170 17.637 1.00 0.00 C ATOM 1189 CD ARG A 76 3.913 -6.923 18.947 1.00 0.00 C ATOM 1190 NE ARG A 76 4.959 -7.920 19.220 1.00 0.00 N ATOM 1191 CZ ARG A 76 5.072 -8.615 20.364 1.00 0.00 C ATOM 1192 NH1 ARG A 76 4.231 -8.373 21.376 1.00 0.00 N ATOM 1193 NH2 ARG A 76 6.024 -9.547 20.489 1.00 0.00 N ATOM 1194 OXT ARG A 76 0.062 -6.188 18.005 1.00 0.00 O ATOM 0 H ARG A 76 2.103 -4.987 14.836 1.00 0.00 H new ATOM 0 HA ARG A 76 2.057 -7.236 16.761 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.249 -4.502 16.636 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.500 -4.924 18.163 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.413 -6.876 16.840 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.047 -5.519 17.750 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.862 -6.213 19.772 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.943 -7.418 18.892 1.00 0.00 H new ATOM 0 HE ARG A 76 5.648 -8.096 18.489 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.506 -7.662 21.278 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.315 -8.899 22.246 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.664 -9.730 19.716 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.110 -10.075 21.358 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 5.146 0.822 -14.608 1.00 0.00 CU