USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN : amide:sc= -2.54! K(o=-13!,f=-9.3) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -10.1! C(o=-13!,f=-9.3!) USER MOD Set 2.1: 1 37 THR OG1 : rot -161:sc= 1.2 USER MOD Set 2.2: 1 40 SER OG : rot -87:sc= 0.297 USER MOD Single : 1 7 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.58 K(o=-1.6,f=-11!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -5.35! K(o=-5.4!,f=-0.73) USER MOD Single : 1 33 THR OG1 : rot -36:sc= 0.0464 USER MOD Single : 1 35 LYS NZ :NH3+ 179:sc= 0.483 (180deg=0.483) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -3.88 K(o=-3.9,f=-6.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 79:sc= 0.764 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -152:sc= -0.369 (180deg=-1.25!) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.598 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.840 0.172 -8.278 1.00 0.00 N ATOM 29 CA PRO 1 3 14.316 1.276 -7.483 1.00 0.00 C ATOM 30 C PRO 1 3 14.697 2.635 -8.057 1.00 0.00 C ATOM 31 O PRO 1 3 15.788 3.142 -7.800 1.00 0.00 O ATOM 32 CB PRO 1 3 14.990 1.060 -6.132 1.00 0.00 C ATOM 33 CG PRO 1 3 16.308 0.442 -6.457 1.00 0.00 C ATOM 34 CD PRO 1 3 16.139 -0.298 -7.763 1.00 0.00 C ATOM 0 HA PRO 1 3 13.227 1.283 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.116 2.002 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.395 0.408 -5.493 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.081 1.206 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.620 -0.239 -5.665 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.948 -0.071 -8.457 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.141 -1.378 -7.612 1.00 0.00 H new ATOM 42 N VAL 1 4 13.792 3.226 -8.833 1.00 0.00 N ATOM 43 CA VAL 1 4 14.045 4.529 -9.432 1.00 0.00 C ATOM 44 C VAL 1 4 13.012 5.556 -8.988 1.00 0.00 C ATOM 45 O VAL 1 4 11.852 5.502 -9.398 1.00 0.00 O ATOM 46 CB VAL 1 4 14.053 4.453 -10.973 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.461 4.197 -11.486 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.095 3.379 -11.469 1.00 0.00 C ATOM 0 H VAL 1 4 12.882 2.824 -9.060 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.030 4.843 -9.088 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.714 5.412 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.448 4.146 -12.575 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.117 5.007 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.829 3.253 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.119 3.345 -12.558 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.396 2.411 -11.069 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.084 3.611 -11.135 1.00 0.00 H new ATOM 58 N CYS 1 5 13.448 6.509 -8.171 1.00 0.00 N ATOM 59 CA CYS 1 5 12.565 7.566 -7.700 1.00 0.00 C ATOM 60 C CYS 1 5 12.465 8.631 -8.781 1.00 0.00 C ATOM 61 O CYS 1 5 13.444 9.316 -9.079 1.00 0.00 O ATOM 62 CB CYS 1 5 13.101 8.187 -6.406 1.00 0.00 C ATOM 63 SG CYS 1 5 11.967 8.064 -4.985 1.00 0.00 S ATOM 0 H CYS 1 5 14.405 6.570 -7.823 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.581 7.147 -7.490 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 14.042 7.702 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.324 9.238 -6.587 1.00 0.00 H new ATOM 68 N GLY 1 6 11.300 8.742 -9.394 1.00 0.00 N ATOM 69 CA GLY 1 6 11.127 9.697 -10.466 1.00 0.00 C ATOM 70 C GLY 1 6 11.131 8.994 -11.804 1.00 0.00 C ATOM 71 O GLY 1 6 11.501 9.568 -12.828 1.00 0.00 O ATOM 0 H GLY 1 6 10.472 8.190 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.189 10.236 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.926 10.437 -10.435 1.00 0.00 H new ATOM 75 N ASN 1 7 10.715 7.734 -11.775 1.00 0.00 N ATOM 76 CA ASN 1 7 10.652 6.898 -12.958 1.00 0.00 C ATOM 77 C ASN 1 7 9.267 6.280 -13.067 1.00 0.00 C ATOM 78 O ASN 1 7 9.030 5.385 -13.878 1.00 0.00 O ATOM 79 CB ASN 1 7 11.707 5.793 -12.864 1.00 0.00 C ATOM 80 CG ASN 1 7 11.704 4.879 -14.075 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.016 3.859 -14.095 1.00 0.00 O ATOM 82 ND2 ASN 1 7 12.476 5.243 -15.092 1.00 0.00 N ATOM 0 H ASN 1 7 10.411 7.264 -10.922 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.848 7.504 -13.843 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.693 6.245 -12.757 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.529 5.201 -11.966 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 12.515 4.668 -15.934 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.030 6.097 -15.032 1.00 0.00 H new ATOM 89 N LYS 1 8 8.360 6.755 -12.218 1.00 0.00 N ATOM 90 CA LYS 1 8 7.003 6.247 -12.180 1.00 0.00 C ATOM 91 C LYS 1 8 6.987 4.846 -11.582 1.00 0.00 C ATOM 92 O LYS 1 8 6.014 4.106 -11.730 1.00 0.00 O ATOM 93 CB LYS 1 8 6.384 6.233 -13.580 1.00 0.00 C ATOM 94 CG LYS 1 8 4.877 6.431 -13.581 1.00 0.00 C ATOM 95 CD LYS 1 8 4.218 5.684 -14.730 1.00 0.00 C ATOM 96 CE LYS 1 8 4.368 4.179 -14.574 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.314 3.436 -15.317 1.00 0.00 N ATOM 0 H LYS 1 8 8.548 7.497 -11.544 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.406 6.909 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 6.845 7.017 -14.180 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.618 5.284 -14.062 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.463 6.084 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.649 7.494 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.160 5.943 -14.775 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.663 5.999 -15.674 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.350 3.873 -14.934 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.320 3.917 -13.517 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.452 2.414 -15.185 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 2.377 3.709 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.376 3.666 -16.329 1.00 0.00 H new ATOM 111 N ILE 1 9 8.077 4.486 -10.903 1.00 0.00 N ATOM 112 CA ILE 1 9 8.191 3.180 -10.285 1.00 0.00 C ATOM 113 C ILE 1 9 8.081 3.284 -8.771 1.00 0.00 C ATOM 114 O ILE 1 9 8.850 3.998 -8.128 1.00 0.00 O ATOM 115 CB ILE 1 9 9.531 2.490 -10.670 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.265 1.103 -11.249 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.485 2.386 -9.487 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.457 0.511 -11.968 1.00 0.00 C ATOM 0 H ILE 1 9 8.890 5.087 -10.771 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.368 2.570 -10.657 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.010 3.114 -11.424 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.967 0.432 -10.443 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.425 1.162 -11.942 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.406 1.898 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.713 3.385 -9.115 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.019 1.801 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 10.197 -0.475 -12.354 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.742 1.161 -12.795 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.292 0.420 -11.274 1.00 0.00 H new ATOM 130 N LEU 1 10 7.146 2.543 -8.204 1.00 0.00 N ATOM 131 CA LEU 1 10 6.974 2.523 -6.764 1.00 0.00 C ATOM 132 C LEU 1 10 7.937 1.496 -6.192 1.00 0.00 C ATOM 133 O LEU 1 10 7.529 0.528 -5.551 1.00 0.00 O ATOM 134 CB LEU 1 10 5.529 2.174 -6.387 1.00 0.00 C ATOM 135 CG LEU 1 10 4.480 2.485 -7.458 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.281 1.287 -8.377 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.164 2.891 -6.812 1.00 0.00 C ATOM 0 H LEU 1 10 6.496 1.949 -8.718 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.185 3.510 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.479 1.111 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.267 2.715 -5.478 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.839 3.320 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.532 1.528 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.224 1.044 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.945 0.431 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.430 3.109 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.800 2.077 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.318 3.779 -6.199 1.00 0.00 H new ATOM 149 N GLU 1 11 9.225 1.701 -6.461 1.00 0.00 N ATOM 150 CA GLU 1 11 10.250 0.776 -6.003 1.00 0.00 C ATOM 151 C GLU 1 11 11.313 1.491 -5.189 1.00 0.00 C ATOM 152 O GLU 1 11 11.717 1.005 -4.134 1.00 0.00 O ATOM 153 CB GLU 1 11 10.887 0.061 -7.196 1.00 0.00 C ATOM 154 CG GLU 1 11 11.837 -1.057 -6.801 1.00 0.00 C ATOM 155 CD GLU 1 11 11.206 -2.048 -5.842 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.070 -2.493 -6.111 1.00 0.00 O ATOM 157 OE2 GLU 1 11 11.848 -2.379 -4.823 1.00 0.00 O ATOM 0 H GLU 1 11 9.579 2.497 -6.992 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.774 0.037 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.098 -0.350 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.428 0.790 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.165 -1.583 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.726 -0.627 -6.340 1.00 0.00 H new ATOM 164 N GLN 1 12 11.770 2.645 -5.675 1.00 0.00 N ATOM 165 CA GLN 1 12 12.792 3.402 -4.950 1.00 0.00 C ATOM 166 C GLN 1 12 12.262 3.916 -3.606 1.00 0.00 C ATOM 167 O GLN 1 12 12.154 5.125 -3.395 1.00 0.00 O ATOM 168 CB GLN 1 12 13.299 4.577 -5.785 1.00 0.00 C ATOM 169 CG GLN 1 12 14.436 5.337 -5.118 1.00 0.00 C ATOM 170 CD GLN 1 12 15.643 5.498 -6.021 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.689 6.395 -6.862 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.631 4.626 -5.849 1.00 0.00 N ATOM 0 H GLN 1 12 11.458 3.070 -6.548 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.620 2.719 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.636 4.208 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.474 5.263 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.080 6.322 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.734 4.813 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.551 3.898 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.470 4.685 -6.427 1.00 0.00 H new ATOM 181 N GLY 1 13 11.948 2.987 -2.698 1.00 0.00 N ATOM 182 CA GLY 1 13 11.443 3.341 -1.374 1.00 0.00 C ATOM 183 C GLY 1 13 10.550 4.569 -1.368 1.00 0.00 C ATOM 184 O GLY 1 13 10.560 5.345 -0.412 1.00 0.00 O ATOM 0 H GLY 1 13 12.036 1.984 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.886 2.496 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.288 3.514 -0.707 1.00 0.00 H new ATOM 188 N GLU 1 14 9.781 4.750 -2.435 1.00 0.00 N ATOM 189 CA GLU 1 14 8.887 5.898 -2.542 1.00 0.00 C ATOM 190 C GLU 1 14 7.459 5.543 -2.138 1.00 0.00 C ATOM 191 O GLU 1 14 6.804 6.294 -1.416 1.00 0.00 O ATOM 192 CB GLU 1 14 8.907 6.477 -3.962 1.00 0.00 C ATOM 193 CG GLU 1 14 8.473 5.504 -5.047 1.00 0.00 C ATOM 194 CD GLU 1 14 9.533 4.473 -5.362 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.575 3.442 -4.661 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.325 4.698 -6.301 1.00 0.00 O ATOM 0 H GLU 1 14 9.758 4.119 -3.236 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.253 6.655 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.256 7.350 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.916 6.824 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 7.561 4.997 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.232 6.060 -5.953 1.00 0.00 H new ATOM 203 N ASP 1 15 6.975 4.402 -2.618 1.00 0.00 N ATOM 204 CA ASP 1 15 5.617 3.958 -2.316 1.00 0.00 C ATOM 205 C ASP 1 15 4.580 4.881 -2.960 1.00 0.00 C ATOM 206 O ASP 1 15 3.396 4.818 -2.633 1.00 0.00 O ATOM 207 CB ASP 1 15 5.397 3.903 -0.802 1.00 0.00 C ATOM 208 CG ASP 1 15 6.518 3.181 -0.080 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.562 1.935 -0.148 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.353 3.862 0.551 1.00 0.00 O ATOM 0 H ASP 1 15 7.502 3.767 -3.218 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.492 2.958 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.312 4.918 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.452 3.402 -0.593 1.00 0.00 H new ATOM 215 N CYS 1 16 5.036 5.735 -3.880 1.00 0.00 N ATOM 216 CA CYS 1 16 4.158 6.672 -4.580 1.00 0.00 C ATOM 217 C CYS 1 16 4.978 7.729 -5.311 1.00 0.00 C ATOM 218 O CYS 1 16 5.274 8.789 -4.758 1.00 0.00 O ATOM 219 CB CYS 1 16 3.188 7.353 -3.609 1.00 0.00 C ATOM 220 SG CYS 1 16 1.476 6.725 -3.678 1.00 0.00 S ATOM 0 H CYS 1 16 6.016 5.795 -4.158 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.579 6.102 -5.306 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.565 7.230 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.177 8.423 -3.818 1.00 0.00 H new ATOM 225 N ASP 1 17 5.342 7.437 -6.555 1.00 0.00 N ATOM 226 CA ASP 1 17 6.126 8.370 -7.353 1.00 0.00 C ATOM 227 C ASP 1 17 5.690 8.353 -8.814 1.00 0.00 C ATOM 228 O ASP 1 17 5.078 7.395 -9.286 1.00 0.00 O ATOM 229 CB ASP 1 17 7.616 8.035 -7.254 1.00 0.00 C ATOM 230 CG ASP 1 17 8.473 8.930 -8.129 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.531 8.684 -9.352 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.085 9.877 -7.593 1.00 0.00 O ATOM 0 H ASP 1 17 5.108 6.565 -7.030 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.954 9.370 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.938 8.130 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.771 6.995 -7.542 1.00 0.00 H new ATOM 237 N CYS 1 18 6.028 9.422 -9.522 1.00 0.00 N ATOM 238 CA CYS 1 18 5.699 9.555 -10.933 1.00 0.00 C ATOM 239 C CYS 1 18 6.968 9.751 -11.755 1.00 0.00 C ATOM 240 O CYS 1 18 7.914 10.396 -11.304 1.00 0.00 O ATOM 241 CB CYS 1 18 4.765 10.742 -11.157 1.00 0.00 C ATOM 242 SG CYS 1 18 3.146 10.596 -10.334 1.00 0.00 S ATOM 0 H CYS 1 18 6.536 10.218 -9.136 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.198 8.641 -11.252 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.258 11.648 -10.803 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.604 10.864 -12.228 1.00 0.00 H new ATOM 247 N GLY 1 19 6.985 9.201 -12.963 1.00 0.00 N ATOM 248 CA GLY 1 19 8.148 9.340 -13.823 1.00 0.00 C ATOM 249 C GLY 1 19 8.624 10.778 -13.922 1.00 0.00 C ATOM 250 O GLY 1 19 9.825 11.047 -13.888 1.00 0.00 O ATOM 0 H GLY 1 19 6.217 8.662 -13.363 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.957 8.718 -13.440 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.906 8.970 -14.820 1.00 0.00 H new ATOM 254 N SER 1 20 7.677 11.705 -14.039 1.00 0.00 N ATOM 255 CA SER 1 20 8.002 13.124 -14.137 1.00 0.00 C ATOM 256 C SER 1 20 7.034 13.965 -13.302 1.00 0.00 C ATOM 257 O SER 1 20 5.830 13.964 -13.554 1.00 0.00 O ATOM 258 CB SER 1 20 7.957 13.577 -15.598 1.00 0.00 C ATOM 259 OG SER 1 20 8.961 14.541 -15.864 1.00 0.00 O ATOM 0 H SER 1 20 6.679 11.498 -14.068 1.00 0.00 H new ATOM 0 HA SER 1 20 9.010 13.269 -13.748 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.092 12.716 -16.253 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.976 13.997 -15.822 1.00 0.00 H new ATOM 0 HG SER 1 20 8.912 14.813 -16.804 1.00 0.00 H new ATOM 265 N PRO 1 21 7.544 14.697 -12.292 1.00 0.00 N ATOM 266 CA PRO 1 21 6.709 15.540 -11.429 1.00 0.00 C ATOM 267 C PRO 1 21 5.719 16.393 -12.220 1.00 0.00 C ATOM 268 O PRO 1 21 4.657 16.754 -11.715 1.00 0.00 O ATOM 269 CB PRO 1 21 7.728 16.429 -10.718 1.00 0.00 C ATOM 270 CG PRO 1 21 8.968 15.607 -10.664 1.00 0.00 C ATOM 271 CD PRO 1 21 8.969 14.762 -11.910 1.00 0.00 C ATOM 0 HA PRO 1 21 6.091 14.946 -10.756 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.892 17.359 -11.263 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.388 16.701 -9.719 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.854 16.241 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.982 14.983 -9.771 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.574 15.211 -12.697 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.378 13.770 -11.720 1.00 0.00 H new ATOM 279 N ALA 1 22 6.073 16.708 -13.462 1.00 0.00 N ATOM 280 CA ALA 1 22 5.213 17.513 -14.320 1.00 0.00 C ATOM 281 C ALA 1 22 4.151 16.646 -14.981 1.00 0.00 C ATOM 282 O ALA 1 22 3.039 17.101 -15.251 1.00 0.00 O ATOM 283 CB ALA 1 22 6.042 18.235 -15.372 1.00 0.00 C ATOM 0 H ALA 1 22 6.949 16.418 -13.896 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.710 18.258 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.386 18.832 -16.005 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.765 18.887 -14.881 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.570 17.504 -15.984 1.00 0.00 H new ATOM 289 N ASN 1 23 4.501 15.389 -15.230 1.00 0.00 N ATOM 290 CA ASN 1 23 3.580 14.445 -15.849 1.00 0.00 C ATOM 291 C ASN 1 23 3.094 13.424 -14.825 1.00 0.00 C ATOM 292 O ASN 1 23 2.661 12.328 -15.181 1.00 0.00 O ATOM 293 CB ASN 1 23 4.255 13.732 -17.021 1.00 0.00 C ATOM 294 CG ASN 1 23 4.147 14.515 -18.315 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.708 13.990 -19.338 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.548 15.781 -18.275 1.00 0.00 N ATOM 0 H ASN 1 23 5.418 15.000 -15.012 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.720 15.000 -16.224 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.307 13.568 -16.786 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.801 12.750 -17.155 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.498 16.358 -19.114 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.905 16.176 -17.405 1.00 0.00 H new ATOM 303 N CYS 1 24 3.176 13.793 -13.550 1.00 0.00 N ATOM 304 CA CYS 1 24 2.757 12.919 -12.468 1.00 0.00 C ATOM 305 C CYS 1 24 1.268 12.628 -12.551 1.00 0.00 C ATOM 306 O CYS 1 24 0.449 13.316 -11.940 1.00 0.00 O ATOM 307 CB CYS 1 24 3.103 13.547 -11.119 1.00 0.00 C ATOM 308 SG CYS 1 24 2.756 12.481 -9.679 1.00 0.00 S ATOM 0 H CYS 1 24 3.532 14.698 -13.243 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.292 11.974 -12.564 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.161 13.809 -11.115 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.544 14.476 -11.011 1.00 0.00 H new ATOM 313 N GLN 1 25 0.928 11.599 -13.313 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.463 11.197 -13.491 1.00 0.00 C ATOM 315 C GLN 1 25 -0.924 10.285 -12.353 1.00 0.00 C ATOM 316 O GLN 1 25 -1.562 9.259 -12.587 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.641 10.486 -14.834 1.00 0.00 C ATOM 318 CG GLN 1 25 0.246 9.263 -14.998 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.389 8.195 -15.867 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.919 8.486 -16.940 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.338 6.950 -15.408 1.00 0.00 N ATOM 0 H GLN 1 25 1.599 11.023 -13.821 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.077 12.097 -13.478 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.683 10.185 -14.941 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.428 11.189 -15.639 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.197 9.565 -15.436 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.466 8.844 -14.016 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.111 6.754 -14.513 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.748 6.189 -15.950 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.605 10.672 -11.122 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.992 9.899 -9.950 1.00 0.00 C ATOM 332 C ASP 1 26 -1.428 10.829 -8.825 1.00 0.00 C ATOM 333 O ASP 1 26 -0.601 11.345 -8.074 1.00 0.00 O ATOM 334 CB ASP 1 26 0.169 9.019 -9.483 1.00 0.00 C ATOM 335 CG ASP 1 26 0.730 8.160 -10.599 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.263 8.729 -11.575 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.636 6.919 -10.498 1.00 0.00 O ATOM 0 H ASP 1 26 -0.078 11.519 -10.911 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.830 9.257 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.961 9.651 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.170 8.377 -8.670 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.734 11.046 -8.722 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.287 11.922 -7.697 1.00 0.00 C ATOM 344 C ARG 1 27 -3.016 11.381 -6.295 1.00 0.00 C ATOM 345 O ARG 1 27 -3.081 12.121 -5.314 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.790 12.094 -7.912 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.447 13.025 -6.906 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.105 12.250 -5.776 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.100 11.301 -6.271 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.828 10.513 -5.483 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.677 10.558 -4.165 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -8.711 9.678 -6.015 1.00 0.00 N ATOM 0 H ARG 1 27 -3.431 10.626 -9.337 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.796 12.891 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -4.963 12.479 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.270 11.117 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -4.700 13.704 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.193 13.639 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.342 11.714 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.581 12.948 -5.087 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.245 11.239 -7.279 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.000 11.199 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.238 9.952 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.832 9.640 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.269 9.074 -5.412 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.712 10.090 -6.204 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.433 9.462 -4.918 1.00 0.00 C ATOM 368 C CYS 1 28 -0.931 9.260 -4.711 1.00 0.00 C ATOM 369 O CYS 1 28 -0.493 8.878 -3.626 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.161 8.121 -4.813 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.902 8.261 -4.289 1.00 0.00 S ATOM 0 H CYS 1 28 -2.653 9.460 -7.004 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.796 10.129 -4.136 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.123 7.622 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.629 7.485 -4.105 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.144 9.517 -5.755 1.00 0.00 N ATOM 377 CA CYS 1 29 1.305 9.361 -5.678 1.00 0.00 C ATOM 378 C CYS 1 29 2.015 10.564 -6.294 1.00 0.00 C ATOM 379 O CYS 1 29 1.767 10.918 -7.446 1.00 0.00 O ATOM 380 CB CYS 1 29 1.738 8.081 -6.393 1.00 0.00 C ATOM 381 SG CYS 1 29 1.068 6.552 -5.661 1.00 0.00 S ATOM 0 H CYS 1 29 -0.486 9.834 -6.662 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.583 9.295 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.426 8.138 -7.436 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.827 8.026 -6.388 1.00 0.00 H new ATOM 386 N ASN 1 30 2.896 11.191 -5.519 1.00 0.00 N ATOM 387 CA ASN 1 30 3.638 12.357 -5.990 1.00 0.00 C ATOM 388 C ASN 1 30 5.127 12.048 -6.133 1.00 0.00 C ATOM 389 O ASN 1 30 5.748 11.491 -5.223 1.00 0.00 O ATOM 390 CB ASN 1 30 3.433 13.532 -5.031 1.00 0.00 C ATOM 391 CG ASN 1 30 4.189 14.775 -5.459 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.063 15.232 -6.596 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.981 15.329 -4.548 1.00 0.00 N ATOM 0 H ASN 1 30 3.113 10.911 -4.562 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.255 12.625 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.370 13.762 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.757 13.241 -4.032 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.515 16.167 -4.778 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 5.055 14.917 -3.618 1.00 0.00 H new ATOM 400 N ALA 1 31 5.692 12.420 -7.283 1.00 0.00 N ATOM 401 CA ALA 1 31 7.108 12.194 -7.555 1.00 0.00 C ATOM 402 C ALA 1 31 7.978 13.155 -6.756 1.00 0.00 C ATOM 403 O ALA 1 31 9.008 12.767 -6.203 1.00 0.00 O ATOM 404 CB ALA 1 31 7.392 12.353 -9.041 1.00 0.00 C ATOM 0 H ALA 1 31 5.187 12.880 -8.041 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.351 11.176 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.452 12.182 -9.229 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.802 11.630 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 7.126 13.362 -9.356 1.00 0.00 H new ATOM 410 N ALA 1 32 7.555 14.413 -6.704 1.00 0.00 N ATOM 411 CA ALA 1 32 8.289 15.444 -5.979 1.00 0.00 C ATOM 412 C ALA 1 32 8.548 15.038 -4.529 1.00 0.00 C ATOM 413 O ALA 1 32 9.414 15.605 -3.864 1.00 0.00 O ATOM 414 CB ALA 1 32 7.529 16.761 -6.031 1.00 0.00 C ATOM 0 H ALA 1 32 6.704 14.745 -7.157 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.257 15.568 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.086 17.524 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.409 17.071 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.548 16.633 -5.574 1.00 0.00 H new ATOM 420 N THR 1 33 7.795 14.055 -4.042 1.00 0.00 N ATOM 421 CA THR 1 33 7.950 13.582 -2.674 1.00 0.00 C ATOM 422 C THR 1 33 8.314 12.106 -2.648 1.00 0.00 C ATOM 423 O THR 1 33 8.821 11.599 -1.648 1.00 0.00 O ATOM 424 CB THR 1 33 6.650 13.789 -1.892 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.856 13.566 -0.509 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.528 12.872 -2.343 1.00 0.00 C ATOM 0 H THR 1 33 7.072 13.572 -4.576 1.00 0.00 H new ATOM 0 HA THR 1 33 8.754 14.155 -2.212 1.00 0.00 H new ATOM 0 HB THR 1 33 6.356 14.821 -2.086 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.504 12.841 -0.388 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.636 13.070 -1.749 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.311 13.053 -3.396 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.831 11.834 -2.209 1.00 0.00 H new ATOM 434 N CYS 1 34 8.016 11.409 -3.739 1.00 0.00 N ATOM 435 CA CYS 1 34 8.277 9.987 -3.815 1.00 0.00 C ATOM 436 C CYS 1 34 7.481 9.289 -2.722 1.00 0.00 C ATOM 437 O CYS 1 34 7.980 8.394 -2.043 1.00 0.00 O ATOM 438 CB CYS 1 34 9.773 9.693 -3.653 1.00 0.00 C ATOM 439 SG CYS 1 34 10.705 9.639 -5.220 1.00 0.00 S ATOM 0 H CYS 1 34 7.595 11.809 -4.577 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.973 9.616 -4.794 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.213 10.455 -3.009 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.890 8.737 -3.142 1.00 0.00 H new ATOM 444 N LYS 1 35 6.239 9.731 -2.543 1.00 0.00 N ATOM 445 CA LYS 1 35 5.372 9.171 -1.514 1.00 0.00 C ATOM 446 C LYS 1 35 3.910 9.535 -1.765 1.00 0.00 C ATOM 447 O LYS 1 35 3.604 10.356 -2.630 1.00 0.00 O ATOM 448 CB LYS 1 35 5.830 9.658 -0.127 1.00 0.00 C ATOM 449 CG LYS 1 35 5.070 10.865 0.417 1.00 0.00 C ATOM 450 CD LYS 1 35 4.087 10.462 1.505 1.00 0.00 C ATOM 451 CE LYS 1 35 3.599 11.669 2.290 1.00 0.00 C ATOM 452 NZ LYS 1 35 2.215 11.474 2.805 1.00 0.00 N ATOM 0 H LYS 1 35 5.812 10.474 -3.097 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.447 8.084 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.730 8.836 0.581 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.890 9.908 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.778 11.592 0.816 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.534 11.355 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 3.236 9.950 1.056 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 4.563 9.754 2.183 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.274 11.856 3.125 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.628 12.553 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 1.926 12.312 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 1.563 11.338 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 2.188 10.636 3.420 1.00 0.00 H new ATOM 466 N LEU 1 36 3.015 8.917 -1.002 1.00 0.00 N ATOM 467 CA LEU 1 36 1.585 9.172 -1.137 1.00 0.00 C ATOM 468 C LEU 1 36 1.272 10.652 -0.941 1.00 0.00 C ATOM 469 O LEU 1 36 1.753 11.280 0.002 1.00 0.00 O ATOM 470 CB LEU 1 36 0.801 8.337 -0.123 1.00 0.00 C ATOM 471 CG LEU 1 36 0.770 6.833 -0.404 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.842 6.045 0.895 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.482 6.463 -1.185 1.00 0.00 C ATOM 0 H LEU 1 36 3.255 8.235 -0.283 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.285 8.887 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.231 8.497 0.866 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.224 8.705 -0.088 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.641 6.578 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.819 4.978 0.675 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.768 6.288 1.417 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.009 6.304 1.525 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.488 5.390 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.365 6.733 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.491 7.000 -2.133 1.00 0.00 H new ATOM 485 N THR 1 37 0.460 11.202 -1.838 1.00 0.00 N ATOM 486 CA THR 1 37 0.078 12.608 -1.765 1.00 0.00 C ATOM 487 C THR 1 37 -0.999 12.817 -0.702 1.00 0.00 C ATOM 488 O THR 1 37 -1.559 11.854 -0.178 1.00 0.00 O ATOM 489 CB THR 1 37 -0.427 13.095 -3.127 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.793 12.765 -3.304 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.340 12.514 -4.296 1.00 0.00 C ATOM 0 H THR 1 37 0.054 10.695 -2.624 1.00 0.00 H new ATOM 0 HA THR 1 37 0.958 13.188 -1.488 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.279 14.175 -3.118 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.015 12.794 -4.258 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.070 12.901 -5.229 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.390 12.794 -4.217 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.253 11.428 -4.285 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.307 14.083 -0.367 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.324 14.404 0.640 1.00 0.00 C ATOM 501 C PRO 1 38 -3.651 13.708 0.358 1.00 0.00 C ATOM 502 O PRO 1 38 -4.295 13.965 -0.659 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.476 15.922 0.521 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.172 16.389 -0.025 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.693 15.296 -0.939 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.034 14.071 1.637 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.301 16.187 -0.141 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.686 16.376 1.489 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.289 17.328 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.455 16.570 0.776 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.013 15.462 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.395 15.229 -0.951 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.052 12.823 1.265 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.299 12.100 1.095 1.00 0.00 C ATOM 515 C GLY 1 39 -5.088 10.687 0.583 1.00 0.00 C ATOM 516 O GLY 1 39 -6.025 10.048 0.105 1.00 0.00 O ATOM 0 H GLY 1 39 -3.536 12.594 2.114 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.826 12.062 2.048 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.938 12.643 0.399 1.00 0.00 H new ATOM 520 N SER 1 40 -3.855 10.196 0.683 1.00 0.00 N ATOM 521 CA SER 1 40 -3.528 8.850 0.226 1.00 0.00 C ATOM 522 C SER 1 40 -2.688 8.116 1.266 1.00 0.00 C ATOM 523 O SER 1 40 -1.604 8.567 1.634 1.00 0.00 O ATOM 524 CB SER 1 40 -2.778 8.910 -1.106 1.00 0.00 C ATOM 525 OG SER 1 40 -3.533 9.600 -2.086 1.00 0.00 O ATOM 0 H SER 1 40 -3.067 10.711 1.076 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.459 8.302 0.084 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.819 9.408 -0.965 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.564 7.899 -1.452 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.138 8.973 -2.535 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.198 6.984 1.740 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.494 6.191 2.744 1.00 0.00 C ATOM 533 C GLN 1 41 -2.052 4.842 2.180 1.00 0.00 C ATOM 534 O GLN 1 41 -1.110 4.229 2.683 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.389 5.972 3.965 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.654 7.240 4.760 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.600 7.011 6.258 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.656 7.429 6.928 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.616 6.342 6.791 1.00 0.00 N ATOM 0 H GLN 1 41 -4.094 6.595 1.447 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.603 6.745 3.040 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.340 5.553 3.637 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.924 5.234 4.618 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.919 7.997 4.485 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.634 7.635 4.492 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.378 6.014 6.198 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.634 6.156 7.794 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.742 4.379 1.142 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.423 3.097 0.524 1.00 0.00 C ATOM 550 C CYS 1 42 -2.747 3.108 -0.965 1.00 0.00 C ATOM 551 O CYS 1 42 -3.908 3.002 -1.358 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.194 1.983 1.216 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.149 0.584 1.732 1.00 0.00 S ATOM 0 H CYS 1 42 -3.525 4.872 0.712 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.353 2.921 0.636 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.698 2.391 2.092 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -3.970 1.617 0.543 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.713 3.234 -1.787 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.885 3.258 -3.234 1.00 0.00 C ATOM 560 C ASN 1 43 -1.759 1.860 -3.836 1.00 0.00 C ATOM 561 O ASN 1 43 -2.030 1.664 -5.021 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.846 4.182 -3.869 1.00 0.00 C ATOM 563 CG ASN 1 43 0.573 3.717 -3.604 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.944 3.435 -2.465 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.376 3.634 -4.659 1.00 0.00 N ATOM 0 H ASN 1 43 -0.745 3.321 -1.476 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.888 3.631 -3.443 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.015 4.231 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.974 5.192 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.342 3.327 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.027 3.878 -5.586 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.345 0.889 -3.021 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.182 -0.488 -3.490 1.00 0.00 C ATOM 574 C TYR 1 44 -0.577 -1.357 -2.390 1.00 0.00 C ATOM 575 O TYR 1 44 0.445 -1.006 -1.800 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.309 -0.530 -4.758 1.00 0.00 C ATOM 577 CG TYR 1 44 1.108 -1.003 -4.523 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.381 -2.345 -4.300 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.168 -0.106 -4.517 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.669 -2.782 -4.077 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.462 -0.534 -4.297 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.708 -1.874 -4.076 1.00 0.00 C ATOM 583 OH TYR 1 44 4.995 -2.307 -3.855 1.00 0.00 O ATOM 0 H TYR 1 44 -1.117 1.029 -2.037 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.165 -0.885 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.782 -1.186 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.279 0.467 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.571 -3.059 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.977 0.943 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.864 -3.830 -3.904 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.277 0.175 -4.298 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.607 -1.543 -3.888 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.223 -2.481 -2.108 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.749 -3.375 -1.067 1.00 0.00 C ATOM 595 C GLY 1 45 -1.874 -4.191 -0.458 1.00 0.00 C ATOM 596 O GLY 1 45 -3.044 -3.981 -0.779 1.00 0.00 O ATOM 0 H GLY 1 45 -2.070 -2.791 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.002 -4.047 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.260 -2.793 -0.286 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.522 -5.126 0.420 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.508 -5.985 1.068 1.00 0.00 C ATOM 602 C GLU 1 46 -3.639 -5.182 1.699 1.00 0.00 C ATOM 603 O GLU 1 46 -4.809 -5.546 1.586 1.00 0.00 O ATOM 604 CB GLU 1 46 -1.833 -6.834 2.143 1.00 0.00 C ATOM 605 CG GLU 1 46 -1.215 -8.115 1.609 1.00 0.00 C ATOM 606 CD GLU 1 46 -0.262 -7.868 0.456 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.740 -7.741 -0.691 1.00 0.00 O ATOM 608 OE2 GLU 1 46 0.961 -7.800 0.700 1.00 0.00 O ATOM 0 H GLU 1 46 -0.558 -5.308 0.700 1.00 0.00 H new ATOM 0 HA GLU 1 46 -2.937 -6.625 0.297 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.057 -6.241 2.628 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -2.567 -7.086 2.908 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -0.681 -8.619 2.414 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -2.008 -8.787 1.282 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.282 -4.106 2.388 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.271 -3.277 3.064 1.00 0.00 C ATOM 617 C CYS 1 47 -4.799 -2.151 2.178 1.00 0.00 C ATOM 618 O CYS 1 47 -5.821 -1.542 2.490 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.665 -2.690 4.336 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.792 -3.782 5.786 1.00 0.00 S ATOM 0 H CYS 1 47 -2.319 -3.788 2.493 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.118 -3.918 3.309 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.614 -2.464 4.155 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.161 -1.745 4.560 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.099 -1.854 1.091 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.513 -0.776 0.204 1.00 0.00 C ATOM 627 C CYS 1 48 -5.800 -1.095 -0.545 1.00 0.00 C ATOM 628 O CYS 1 48 -6.022 -2.219 -0.992 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.391 -0.438 -0.775 1.00 0.00 C ATOM 630 SG CYS 1 48 -1.756 -0.378 0.008 1.00 0.00 S ATOM 0 H CYS 1 48 -3.249 -2.340 0.804 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.721 0.093 0.829 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.378 -1.180 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.600 0.526 -1.239 1.00 0.00 H new ATOM 635 N ASP 1 49 -6.640 -0.072 -0.670 1.00 0.00 N ATOM 636 CA ASP 1 49 -7.918 -0.185 -1.356 1.00 0.00 C ATOM 637 C ASP 1 49 -8.596 1.180 -1.415 1.00 0.00 C ATOM 638 O ASP 1 49 -8.909 1.772 -0.382 1.00 0.00 O ATOM 639 CB ASP 1 49 -8.822 -1.192 -0.642 1.00 0.00 C ATOM 640 CG ASP 1 49 -9.588 -2.071 -1.611 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.020 -3.084 -2.070 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -10.756 -1.746 -1.911 1.00 0.00 O ATOM 0 H ASP 1 49 -6.451 0.859 -0.297 1.00 0.00 H new ATOM 0 HA ASP 1 49 -7.741 -0.540 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.217 -1.819 0.012 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.527 -0.656 -0.007 1.00 0.00 H new ATOM 647 N GLN 1 50 -8.808 1.684 -2.626 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.437 2.989 -2.811 1.00 0.00 C ATOM 649 C GLN 1 50 -8.530 4.102 -2.293 1.00 0.00 C ATOM 650 O GLN 1 50 -9.004 5.127 -1.803 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.789 3.039 -2.094 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.682 4.177 -2.562 1.00 0.00 C ATOM 653 CD GLN 1 50 -11.729 5.326 -1.573 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -11.530 6.484 -1.940 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -11.993 5.010 -0.311 1.00 0.00 N ATOM 0 H GLN 1 50 -8.554 1.211 -3.493 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.599 3.139 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.308 2.093 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.619 3.138 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.322 4.544 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.692 3.799 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -12.151 4.036 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -12.037 5.741 0.399 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.221 3.890 -2.407 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.235 4.869 -1.956 1.00 0.00 C ATOM 666 C CYS 1 51 -6.297 5.068 -0.442 1.00 0.00 C ATOM 667 O CYS 1 51 -5.864 6.099 0.074 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.443 6.206 -2.671 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.560 6.341 -4.260 1.00 0.00 S ATOM 0 H CYS 1 51 -6.817 3.045 -2.810 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.247 4.482 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.509 6.351 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.115 7.012 -2.015 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.829 4.075 0.266 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.936 4.145 1.721 1.00 0.00 C ATOM 676 C ARG 1 52 -6.708 2.773 2.345 1.00 0.00 C ATOM 677 O ARG 1 52 -6.983 1.747 1.723 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.309 4.683 2.128 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.305 5.415 3.461 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.147 6.680 3.406 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.787 7.623 4.462 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.559 8.637 4.845 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.733 8.844 4.261 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -9.157 9.448 5.814 1.00 0.00 N ATOM 0 H ARG 1 52 -7.192 3.214 -0.143 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.167 4.825 2.087 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.669 5.359 1.353 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.014 3.853 2.181 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.688 4.756 4.240 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.281 5.670 3.734 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.020 7.158 2.435 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.201 6.418 3.498 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.891 7.497 4.933 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -11.048 8.224 3.515 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.320 9.623 4.559 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -8.256 9.295 6.266 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -9.749 10.225 6.107 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.201 2.754 3.576 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.940 1.495 4.266 1.00 0.00 C ATOM 700 C PHE 1 53 -7.220 0.705 4.455 1.00 0.00 C ATOM 701 O PHE 1 53 -8.304 1.272 4.586 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.283 1.732 5.630 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.837 2.126 5.552 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.073 1.795 4.447 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.240 2.821 6.590 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.745 2.148 4.376 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.907 3.178 6.525 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.157 2.840 5.416 1.00 0.00 C ATOM 0 H PHE 1 53 -5.965 3.589 4.112 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.254 0.923 3.641 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.833 2.512 6.156 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.370 0.824 6.226 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.525 1.253 3.630 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.823 3.087 7.460 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.162 1.884 3.506 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.452 3.721 7.340 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.114 3.116 5.362 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.080 -0.610 4.480 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.224 -1.488 4.667 1.00 0.00 C ATOM 720 C LYS 1 54 -8.648 -1.492 6.129 1.00 0.00 C ATOM 721 O LYS 1 54 -8.062 -2.195 6.949 1.00 0.00 O ATOM 722 CB LYS 1 54 -7.892 -2.906 4.202 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.539 -3.270 2.877 1.00 0.00 C ATOM 724 CD LYS 1 54 -7.654 -4.190 2.053 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.109 -4.244 0.604 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.137 -5.638 0.082 1.00 0.00 N ATOM 0 H LYS 1 54 -6.188 -1.093 4.373 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.052 -1.115 4.064 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -6.811 -3.007 4.110 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.215 -3.616 4.963 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.497 -3.756 3.061 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -8.746 -2.362 2.311 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -6.622 -3.842 2.099 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -7.672 -5.193 2.479 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.103 -3.805 0.519 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.440 -3.640 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.452 -5.631 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.183 -6.049 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -8.795 -6.209 0.651 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.663 -0.690 6.447 1.00 0.00 N ATOM 741 CA LYS 1 55 -10.176 -0.575 7.816 1.00 0.00 C ATOM 742 C LYS 1 55 -9.913 -1.840 8.628 1.00 0.00 C ATOM 743 O LYS 1 55 -10.253 -2.947 8.200 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.677 -0.278 7.793 1.00 0.00 C ATOM 745 CG LYS 1 55 -12.262 0.006 9.167 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.582 1.194 9.827 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.320 1.631 11.083 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.575 2.684 11.827 1.00 0.00 N ATOM 0 H LYS 1 55 -10.152 -0.104 5.770 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.647 0.248 8.296 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.859 0.580 7.145 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.200 -1.127 7.353 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -13.330 0.202 9.075 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -12.152 -0.875 9.799 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.555 0.932 10.080 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.535 2.025 9.123 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -13.307 2.007 10.812 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.475 0.769 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.111 2.954 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.643 2.317 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.449 3.517 11.217 1.00 0.00 H new ATOM 762 N ALA 1 56 -9.296 -1.671 9.799 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.982 -2.801 10.664 1.00 0.00 C ATOM 764 C ALA 1 56 -10.140 -3.784 10.703 1.00 0.00 C ATOM 765 O ALA 1 56 -11.286 -3.401 10.939 1.00 0.00 O ATOM 766 CB ALA 1 56 -8.650 -2.332 12.068 1.00 0.00 C ATOM 0 H ALA 1 56 -9.006 -0.764 10.166 1.00 0.00 H new ATOM 0 HA ALA 1 56 -8.108 -3.305 10.252 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.419 -3.194 12.694 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.788 -1.666 12.035 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -9.504 -1.799 12.485 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.838 -5.043 10.446 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.873 -6.056 10.429 1.00 0.00 C ATOM 774 C GLY 1 57 -11.027 -6.668 9.054 1.00 0.00 C ATOM 775 O GLY 1 57 -11.709 -7.679 8.886 1.00 0.00 O ATOM 0 H GLY 1 57 -8.897 -5.384 10.249 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.632 -6.836 11.151 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.820 -5.615 10.740 1.00 0.00 H new ATOM 779 N THR 1 58 -10.371 -6.059 8.068 1.00 0.00 N ATOM 780 CA THR 1 58 -10.410 -6.553 6.701 1.00 0.00 C ATOM 781 C THR 1 58 -9.428 -7.711 6.537 1.00 0.00 C ATOM 782 O THR 1 58 -8.214 -7.517 6.600 1.00 0.00 O ATOM 783 CB THR 1 58 -10.056 -5.428 5.730 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.005 -4.379 5.809 1.00 0.00 O ATOM 785 CG2 THR 1 58 -9.989 -5.880 4.289 1.00 0.00 C ATOM 0 H THR 1 58 -9.805 -5.220 8.195 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.417 -6.908 6.481 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.066 -5.087 6.032 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.815 -3.825 6.595 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.733 -5.032 3.653 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.228 -6.654 4.185 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -10.957 -6.280 3.988 1.00 0.00 H new ATOM 793 N VAL 1 59 -9.955 -8.914 6.338 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.113 -10.093 6.181 1.00 0.00 C ATOM 795 C VAL 1 59 -8.369 -10.078 4.848 1.00 0.00 C ATOM 796 O VAL 1 59 -8.985 -10.042 3.783 1.00 0.00 O ATOM 797 CB VAL 1 59 -9.935 -11.395 6.278 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -10.973 -11.460 5.168 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.020 -12.613 6.236 1.00 0.00 C ATOM 0 H VAL 1 59 -10.957 -9.098 6.282 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.390 -10.064 6.996 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.460 -11.397 7.233 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.541 -12.386 5.255 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.650 -10.610 5.252 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.473 -11.431 4.200 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.619 -13.521 6.306 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.463 -12.617 5.299 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.323 -12.573 7.073 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.042 -10.117 4.915 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.219 -10.121 3.706 1.00 0.00 C ATOM 811 C CYS 1 60 -5.528 -11.469 3.509 1.00 0.00 C ATOM 812 O CYS 1 60 -5.119 -11.809 2.399 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.160 -9.021 3.764 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.768 -7.424 4.387 1.00 0.00 S ATOM 0 H CYS 1 60 -6.514 -10.146 5.787 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.886 -9.938 2.864 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.340 -9.356 4.399 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -4.750 -8.875 2.765 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.388 -12.225 4.593 1.00 0.00 N ATOM 820 CA ARG 1 61 -4.729 -13.529 4.537 1.00 0.00 C ATOM 821 C ARG 1 61 -5.236 -14.465 5.634 1.00 0.00 C ATOM 822 O ARG 1 61 -5.936 -14.044 6.554 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.214 -13.357 4.669 1.00 0.00 C ATOM 824 CG ARG 1 61 -2.495 -13.200 3.339 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.005 -13.470 3.479 1.00 0.00 C ATOM 826 NE ARG 1 61 -0.426 -12.779 4.630 1.00 0.00 N ATOM 827 CZ ARG 1 61 0.053 -11.538 4.591 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.020 -10.837 3.465 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.562 -10.994 5.688 1.00 0.00 N ATOM 0 H ARG 1 61 -5.721 -11.960 5.520 1.00 0.00 H new ATOM 0 HA ARG 1 61 -4.967 -13.978 3.573 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.010 -12.483 5.287 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -2.804 -14.220 5.193 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -2.924 -13.886 2.609 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -2.649 -12.191 2.957 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -0.839 -14.543 3.580 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -0.493 -13.152 2.571 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.387 -13.279 5.518 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.375 -11.249 2.619 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.390 -9.887 3.445 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.585 -11.526 6.558 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.930 -10.043 5.662 1.00 0.00 H new ATOM 843 N ILE 1 62 -4.869 -15.739 5.523 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.266 -16.755 6.492 1.00 0.00 C ATOM 845 C ILE 1 62 -4.278 -17.912 6.465 1.00 0.00 C ATOM 846 O ILE 1 62 -4.042 -18.511 5.416 1.00 0.00 O ATOM 847 CB ILE 1 62 -6.680 -17.320 6.221 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.640 -16.228 5.747 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.226 -17.990 7.473 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.382 -15.772 4.329 1.00 0.00 C ATOM 0 H ILE 1 62 -4.290 -16.094 4.762 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.274 -16.267 7.467 1.00 0.00 H new ATOM 0 HB ILE 1 62 -6.596 -18.059 5.425 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.663 -16.597 5.821 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.561 -15.371 6.416 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.222 -18.384 7.270 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -6.566 -18.806 7.766 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.282 -17.261 8.281 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.100 -14.997 4.060 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.371 -15.372 4.254 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.489 -16.618 3.650 1.00 0.00 H new ATOM 862 N ALA 1 63 -3.699 -18.222 7.619 1.00 0.00 N ATOM 863 CA ALA 1 63 -2.730 -19.311 7.722 1.00 0.00 C ATOM 864 C ALA 1 63 -3.211 -20.553 6.983 1.00 0.00 C ATOM 865 O ALA 1 63 -2.674 -20.910 5.935 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.451 -19.641 9.179 1.00 0.00 C ATOM 0 H ALA 1 63 -3.882 -17.736 8.497 1.00 0.00 H new ATOM 0 HA ALA 1 63 -1.805 -18.977 7.253 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.727 -20.454 9.236 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.048 -18.761 9.681 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.377 -19.945 9.667 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.226 -21.206 7.535 1.00 0.00 N ATOM 873 CA ARG 1 64 -4.779 -22.410 6.922 1.00 0.00 C ATOM 874 C ARG 1 64 -5.924 -22.982 7.756 1.00 0.00 C ATOM 875 O ARG 1 64 -5.799 -24.050 8.355 1.00 0.00 O ATOM 876 CB ARG 1 64 -3.680 -23.466 6.739 1.00 0.00 C ATOM 877 CG ARG 1 64 -3.285 -23.703 5.288 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.503 -23.865 4.393 1.00 0.00 C ATOM 879 NE ARG 1 64 -4.340 -24.956 3.436 1.00 0.00 N ATOM 880 CZ ARG 1 64 -3.560 -24.888 2.359 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -2.870 -23.784 2.100 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -3.469 -25.927 1.540 1.00 0.00 N ATOM 0 H ARG 1 64 -4.682 -20.925 8.403 1.00 0.00 H new ATOM 0 HA ARG 1 64 -5.177 -22.136 5.945 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -2.797 -23.158 7.299 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.019 -24.407 7.171 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -2.682 -22.867 4.934 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -2.663 -24.596 5.221 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.383 -24.052 5.009 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.683 -22.935 3.854 1.00 0.00 H new ATOM 0 HE ARG 1 64 -4.854 -25.821 3.602 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -2.936 -22.982 2.727 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -2.274 -23.737 1.274 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -3.996 -26.778 1.735 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -2.872 -25.875 0.715 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.043 -22.267 7.785 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.191 -22.726 8.543 1.00 0.00 C ATOM 898 C GLY 1 65 -9.014 -21.583 9.100 1.00 0.00 C ATOM 899 O GLY 1 65 -9.635 -20.831 8.350 1.00 0.00 O ATOM 0 H GLY 1 65 -7.175 -21.380 7.299 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -8.821 -23.345 7.903 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -7.851 -23.358 9.363 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.017 -21.454 10.422 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.768 -20.396 11.085 1.00 0.00 C ATOM 905 C ASP 1 66 -9.398 -20.310 12.561 1.00 0.00 C ATOM 906 O ASP 1 66 -10.097 -20.846 13.422 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.272 -20.634 10.935 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.847 -19.945 9.713 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.704 -18.709 9.605 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.441 -20.642 8.863 1.00 0.00 O ATOM 0 H ASP 1 66 -8.507 -22.070 11.056 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.510 -19.450 10.609 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.463 -21.705 10.868 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.785 -20.274 11.827 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.292 -19.635 12.843 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.812 -19.472 14.212 1.00 0.00 C ATOM 917 C TRP 1 67 -7.737 -17.996 14.577 1.00 0.00 C ATOM 918 O TRP 1 67 -8.515 -17.500 15.393 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.430 -20.119 14.366 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.837 -20.575 13.068 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.365 -19.788 12.057 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.662 -21.926 12.640 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.912 -20.569 11.026 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.081 -21.886 11.360 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.941 -23.165 13.216 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.775 -23.039 10.647 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.636 -24.312 12.508 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.058 -24.242 11.234 1.00 0.00 C ATOM 0 H TRP 1 67 -7.706 -19.188 12.138 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.513 -19.964 14.886 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.753 -19.405 14.835 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.510 -20.972 15.040 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.351 -18.708 12.068 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.514 -20.225 10.152 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.387 -23.227 14.198 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.330 -22.987 9.664 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.847 -25.277 12.944 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.831 -25.156 10.705 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.798 -17.305 13.951 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.605 -15.878 14.179 1.00 0.00 C ATOM 941 C ASN 1 68 -6.926 -15.094 12.911 1.00 0.00 C ATOM 942 O ASN 1 68 -7.463 -13.989 12.969 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.167 -15.588 14.620 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.588 -16.684 15.494 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -4.527 -16.553 16.717 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -4.159 -17.774 14.869 1.00 0.00 N ATOM 0 H ASN 1 68 -6.151 -17.712 13.275 1.00 0.00 H new ATOM 0 HA ASN 1 68 -7.282 -15.565 14.974 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.539 -15.464 13.738 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -5.142 -14.644 15.165 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.760 -18.545 15.404 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.229 -17.840 13.854 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.597 -15.685 11.764 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.854 -15.058 10.473 1.00 0.00 C ATOM 955 C ASP 1 69 -6.086 -13.753 10.326 1.00 0.00 C ATOM 956 O ASP 1 69 -5.913 -13.012 11.292 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.345 -14.782 10.308 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.089 -15.949 9.689 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.009 -17.065 10.244 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.751 -15.747 8.650 1.00 0.00 O ATOM 0 H ASP 1 69 -6.151 -16.600 11.705 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.517 -15.749 9.700 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.779 -14.555 11.282 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.480 -13.898 9.685 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.641 -13.471 9.107 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.905 -12.245 8.832 1.00 0.00 C ATOM 967 C ASP 1 70 -5.867 -11.080 8.673 1.00 0.00 C ATOM 968 O ASP 1 70 -6.822 -11.158 7.901 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.062 -12.399 7.569 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.008 -11.324 7.446 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.365 -10.134 7.560 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -1.827 -11.671 7.237 1.00 0.00 O ATOM 0 H ASP 1 70 -5.777 -14.074 8.296 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.241 -12.046 9.673 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.581 -13.377 7.574 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -4.713 -12.368 6.695 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.627 -10.007 9.418 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.507 -8.850 9.359 1.00 0.00 C ATOM 979 C TYR 1 71 -5.757 -7.532 9.358 1.00 0.00 C ATOM 980 O TYR 1 71 -4.772 -7.356 10.075 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.463 -8.880 10.539 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.630 -9.793 10.314 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.680 -9.395 9.513 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.675 -11.051 10.890 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.757 -10.219 9.288 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.745 -11.890 10.672 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.789 -11.471 9.870 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.862 -12.304 9.649 1.00 0.00 O ATOM 0 H TYR 1 71 -4.841 -9.916 10.061 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.050 -8.912 8.416 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.923 -9.199 11.431 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.828 -7.871 10.732 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.656 -8.418 9.054 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.860 -11.379 11.519 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.572 -9.890 8.661 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.768 -12.870 11.125 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.726 -13.147 10.130 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.256 -6.599 8.557 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.665 -5.274 8.463 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.836 -4.527 9.780 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.652 -4.913 10.618 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.312 -4.487 7.324 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.367 -3.018 6.808 1.00 0.00 S ATOM 0 H CYS 1 72 -7.072 -6.738 7.961 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.600 -5.380 8.255 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.436 -5.147 6.465 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.310 -4.175 7.633 1.00 0.00 H new ATOM 1008 N THR 1 73 -5.064 -3.463 9.963 1.00 0.00 N ATOM 1009 CA THR 1 73 -5.134 -2.674 11.189 1.00 0.00 C ATOM 1010 C THR 1 73 -5.462 -1.210 10.895 1.00 0.00 C ATOM 1011 O THR 1 73 -5.411 -0.365 11.788 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.811 -2.773 11.951 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.870 -1.842 11.448 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -3.182 -4.148 11.875 1.00 0.00 C ATOM 0 H THR 1 73 -4.384 -3.126 9.281 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.938 -3.080 11.804 1.00 0.00 H new ATOM 0 HB THR 1 73 -4.059 -2.559 12.991 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -2.032 -1.920 11.950 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -2.247 -4.152 12.435 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.864 -4.884 12.301 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.982 -4.399 10.833 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.801 -0.914 9.643 1.00 0.00 N ATOM 1023 CA GLY 1 74 -6.133 0.447 9.263 1.00 0.00 C ATOM 1024 C GLY 1 74 -5.055 1.443 9.648 1.00 0.00 C ATOM 1025 O GLY 1 74 -5.330 2.632 9.809 1.00 0.00 O ATOM 0 H GLY 1 74 -5.852 -1.594 8.884 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.293 0.490 8.186 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -7.072 0.733 9.737 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.825 0.959 9.799 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.708 1.822 10.171 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.477 1.549 9.306 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.393 2.060 9.587 1.00 0.00 O ATOM 1033 CB LYS 1 75 -2.353 1.627 11.647 1.00 0.00 C ATOM 1034 CG LYS 1 75 -3.565 1.533 12.562 1.00 0.00 C ATOM 1035 CD LYS 1 75 -3.404 2.407 13.795 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.642 1.685 14.894 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.224 0.346 15.186 1.00 0.00 N ATOM 0 H LYS 1 75 -3.577 -0.022 9.670 1.00 0.00 H new ATOM 0 HA LYS 1 75 -3.020 2.853 10.006 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.759 0.719 11.751 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -1.726 2.457 11.973 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -4.459 1.835 12.015 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.712 0.497 12.866 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.877 3.323 13.527 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -4.386 2.701 14.165 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.599 1.571 14.598 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.652 2.290 15.800 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -3.032 0.093 16.176 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -4.252 0.372 15.028 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -2.795 -0.363 14.558 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.642 0.745 8.258 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.528 0.422 7.373 1.00 0.00 C ATOM 1053 C SER 1 76 -1.004 -0.309 6.121 1.00 0.00 C ATOM 1054 O SER 1 76 -2.167 -0.700 6.018 1.00 0.00 O ATOM 1055 CB SER 1 76 0.502 -0.434 8.112 1.00 0.00 C ATOM 1056 OG SER 1 76 1.471 -0.952 7.217 1.00 0.00 O ATOM 0 H SER 1 76 -2.528 0.309 8.003 1.00 0.00 H new ATOM 0 HA SER 1 76 -0.067 1.360 7.064 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.994 0.164 8.879 1.00 0.00 H new ATOM 0 HB3 SER 1 76 -0.002 -1.255 8.623 1.00 0.00 H new ATOM 0 HG SER 1 76 2.119 -1.494 7.714 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.088 -0.492 5.175 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.392 -1.181 3.924 1.00 0.00 C ATOM 1064 C SER 1 77 -0.138 -2.678 4.046 1.00 0.00 C ATOM 1065 O SER 1 77 -0.122 -3.397 3.046 1.00 0.00 O ATOM 1066 CB SER 1 77 0.464 -0.610 2.791 1.00 0.00 C ATOM 1067 OG SER 1 77 1.833 -0.922 2.979 1.00 0.00 O ATOM 0 H SER 1 77 0.877 -0.171 5.252 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.448 -1.025 3.702 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.124 -1.012 1.836 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.337 0.472 2.745 1.00 0.00 H new ATOM 0 HG SER 1 77 2.358 -0.548 2.241 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.066 -3.143 5.273 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.331 -4.555 5.511 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.770 -5.198 6.344 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.367 -4.560 7.212 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.680 -4.729 6.210 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.828 -4.856 5.228 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.592 -5.327 4.096 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.964 -4.485 5.591 1.00 0.00 O ATOM 0 H ASP 1 78 0.053 -2.566 6.114 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.357 -5.055 4.543 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.859 -3.877 6.866 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.647 -5.616 6.842 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.024 -6.469 6.069 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.044 -7.228 6.779 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.406 -8.398 7.532 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.021 -9.395 6.923 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.084 -7.745 5.784 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.783 -7.200 6.145 1.00 0.00 S ATOM 0 H CYS 1 79 -0.532 -7.001 5.351 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.534 -6.577 7.503 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.811 -7.413 4.782 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.056 -8.835 5.777 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.274 -8.291 8.867 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.666 -9.345 9.692 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.566 -10.570 9.868 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.753 -10.444 10.168 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.451 -8.650 11.037 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.510 -7.606 11.091 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.689 -7.129 9.677 1.00 0.00 C ATOM 0 HA PRO 1 80 0.243 -9.736 9.235 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.543 -9.352 11.866 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.544 -8.210 11.102 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.440 -8.013 11.487 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -1.217 -6.786 11.746 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.723 -6.848 9.476 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -1.074 -6.254 9.468 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.982 -11.758 9.689 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.718 -13.025 9.837 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.536 -13.034 11.123 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.545 -13.729 11.228 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.769 -14.234 9.873 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.630 -13.955 9.421 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.639 -13.392 10.148 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 1.172 -14.242 8.137 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.778 -13.309 9.384 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.514 -13.827 8.143 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.646 -14.811 6.982 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 3.338 -13.967 7.033 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 1.462 -14.950 5.876 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.798 -14.530 5.908 1.00 0.00 C ATOM 0 H TRP 1 81 0.001 -11.873 9.441 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.374 -13.102 8.970 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.735 -14.620 10.892 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.186 -15.023 9.247 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.554 -13.061 11.172 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.672 -12.925 9.690 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.383 -15.139 6.950 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 4.368 -13.643 7.057 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 1.064 -15.389 4.973 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 3.413 -14.653 5.029 1.00 0.00 H new ATOM 1133 N ASN 1 82 -2.061 -12.281 12.105 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.703 -12.203 13.415 1.00 0.00 C ATOM 1135 C ASN 1 82 -2.297 -13.404 14.261 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.066 -13.885 15.093 1.00 0.00 O ATOM 1137 CB ASN 1 82 -4.226 -12.139 13.278 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.869 -11.243 14.319 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -5.803 -10.498 14.021 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.371 -11.308 15.549 1.00 0.00 N ATOM 0 H ASN 1 82 -1.222 -11.707 12.019 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.372 -11.289 13.908 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.482 -11.775 12.283 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.637 -13.145 13.366 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.763 -10.727 16.289 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.596 -11.939 15.753 1.00 0.00 H new ATOM 1147 N HIS 1 83 -1.077 -13.884 14.032 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.549 -15.033 14.757 1.00 0.00 C ATOM 1149 C HIS 1 83 0.460 -14.596 15.814 1.00 0.00 C ATOM 1150 O HIS 1 83 0.587 -15.300 16.838 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.106 -16.010 13.779 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.816 -16.463 12.690 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.381 -16.803 11.427 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.160 -16.620 12.679 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.420 -17.147 10.685 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.510 -17.045 11.422 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.116 -13.552 15.609 1.00 0.00 O ATOM 0 H HIS 1 83 -0.433 -13.491 13.345 1.00 0.00 H new ATOM 0 HA HIS 1 83 -1.377 -15.530 15.262 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.980 -15.535 13.332 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.463 -16.881 14.330 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.832 -16.444 13.506 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.383 -17.458 9.652 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.459 -17.249 11.108 1.00 0.00 H new