USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 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 :FLIP amide:sc= -0.884 F(o=-13!,f=-11) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -10.5! C(o=-13!,f=-11!) USER MOD Set 2.1: 1 37 THR OG1 : rot 167:sc= -0.422 USER MOD Set 2.2: 1 40 SER OG : rot 161:sc= 1.08 USER MOD Single : 1 7 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.4) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.0765 X(o=-0.077,f=0) USER MOD Single : 1 25 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -1.37 F(o=-4.9!,f=-1.4) USER MOD Single : 1 33 THR OG1 : rot -30:sc= 0.0838 USER MOD Single : 1 35 LYS NZ :NH3+ 161:sc= -0.0117 (180deg=-0.157) USER MOD Single : 1 41 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.87 K(o=-4.9,f=-6!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0921 K(o=-0.092,f=-1.5!) 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 78:sc= 0.73 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+ -155:sc= -0.0905 (180deg=-0.448) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.241 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -1.75 K(o=-1.7,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.898 -0.020 -8.431 1.00 0.00 N ATOM 29 CA PRO 1 3 14.139 1.035 -7.749 1.00 0.00 C ATOM 30 C PRO 1 3 14.552 2.426 -8.215 1.00 0.00 C ATOM 31 O PRO 1 3 15.658 2.884 -7.926 1.00 0.00 O ATOM 32 CB PRO 1 3 14.484 0.841 -6.266 1.00 0.00 C ATOM 33 CG PRO 1 3 15.061 -0.530 -6.170 1.00 0.00 C ATOM 34 CD PRO 1 3 15.726 -0.790 -7.489 1.00 0.00 C ATOM 0 HA PRO 1 3 13.071 0.964 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.197 1.592 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.597 0.939 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.778 -0.595 -5.352 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.283 -1.268 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.762 -0.452 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.736 -1.852 -7.734 1.00 0.00 H new ATOM 42 N VAL 1 4 13.661 3.094 -8.945 1.00 0.00 N ATOM 43 CA VAL 1 4 13.941 4.432 -9.456 1.00 0.00 C ATOM 44 C VAL 1 4 12.934 5.463 -8.949 1.00 0.00 C ATOM 45 O VAL 1 4 11.770 5.455 -9.350 1.00 0.00 O ATOM 46 CB VAL 1 4 13.942 4.446 -10.997 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.332 4.133 -11.530 1.00 0.00 C ATOM 48 CG2 VAL 1 4 12.919 3.458 -11.545 1.00 0.00 C ATOM 0 H VAL 1 4 12.741 2.731 -9.195 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.930 4.703 -9.086 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.662 5.445 -11.333 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.315 4.147 -12.620 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.037 4.881 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.641 3.146 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 12.936 3.484 -12.635 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.164 2.453 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 11.925 3.730 -11.191 1.00 0.00 H new ATOM 58 N CYS 1 5 13.395 6.369 -8.089 1.00 0.00 N ATOM 59 CA CYS 1 5 12.537 7.425 -7.558 1.00 0.00 C ATOM 60 C CYS 1 5 12.461 8.559 -8.572 1.00 0.00 C ATOM 61 O CYS 1 5 13.413 9.321 -8.744 1.00 0.00 O ATOM 62 CB CYS 1 5 13.079 7.939 -6.216 1.00 0.00 C ATOM 63 SG CYS 1 5 12.277 9.459 -5.593 1.00 0.00 S ATOM 0 H CYS 1 5 14.355 6.393 -7.746 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.538 7.025 -7.384 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.964 7.153 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.148 8.126 -6.320 1.00 0.00 H new ATOM 68 N GLY 1 6 11.337 8.638 -9.268 1.00 0.00 N ATOM 69 CA GLY 1 6 11.164 9.647 -10.291 1.00 0.00 C ATOM 70 C GLY 1 6 11.149 9.015 -11.665 1.00 0.00 C ATOM 71 O GLY 1 6 11.551 9.625 -12.655 1.00 0.00 O ATOM 0 H GLY 1 6 10.538 8.017 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.232 10.187 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.971 10.377 -10.229 1.00 0.00 H new ATOM 75 N ASN 1 7 10.678 7.774 -11.706 1.00 0.00 N ATOM 76 CA ASN 1 7 10.591 7.005 -12.935 1.00 0.00 C ATOM 77 C ASN 1 7 9.189 6.432 -13.084 1.00 0.00 C ATOM 78 O ASN 1 7 8.922 5.634 -13.983 1.00 0.00 O ATOM 79 CB ASN 1 7 11.613 5.869 -12.904 1.00 0.00 C ATOM 80 CG ASN 1 7 12.930 6.256 -13.548 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.426 7.366 -13.355 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.504 5.340 -14.319 1.00 0.00 N ATOM 0 H ASN 1 7 10.345 7.273 -10.882 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.804 7.656 -13.783 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 11.791 5.573 -11.870 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.202 5.000 -13.418 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.391 5.544 -14.779 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.058 4.432 -14.451 1.00 0.00 H new ATOM 89 N LYS 1 8 8.303 6.836 -12.176 1.00 0.00 N ATOM 90 CA LYS 1 8 6.929 6.365 -12.169 1.00 0.00 C ATOM 91 C LYS 1 8 6.845 4.968 -11.565 1.00 0.00 C ATOM 92 O LYS 1 8 5.833 4.282 -11.703 1.00 0.00 O ATOM 93 CB LYS 1 8 6.337 6.366 -13.582 1.00 0.00 C ATOM 94 CG LYS 1 8 4.839 6.617 -13.614 1.00 0.00 C ATOM 95 CD LYS 1 8 4.173 5.871 -14.758 1.00 0.00 C ATOM 96 CE LYS 1 8 2.784 6.416 -15.046 1.00 0.00 C ATOM 97 NZ LYS 1 8 1.757 5.824 -14.145 1.00 0.00 N ATOM 0 H LYS 1 8 8.521 7.496 -11.430 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.345 7.050 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 6.838 7.130 -14.176 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.546 5.407 -14.055 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.397 6.304 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.650 7.686 -13.717 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.789 5.951 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.105 4.811 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 2.788 7.500 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 2.520 6.208 -16.083 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 0.824 6.222 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 1.735 4.792 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 1.994 6.044 -13.157 1.00 0.00 H new ATOM 111 N ILE 1 9 7.917 4.550 -10.891 1.00 0.00 N ATOM 112 CA ILE 1 9 7.957 3.240 -10.268 1.00 0.00 C ATOM 113 C ILE 1 9 7.857 3.354 -8.754 1.00 0.00 C ATOM 114 O ILE 1 9 8.583 4.128 -8.133 1.00 0.00 O ATOM 115 CB ILE 1 9 9.259 2.479 -10.643 1.00 0.00 C ATOM 116 CG1 ILE 1 9 8.944 1.054 -11.104 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.245 2.442 -9.484 1.00 0.00 C ATOM 118 CD1 ILE 1 9 7.910 0.345 -10.252 1.00 0.00 C ATOM 0 H ILE 1 9 8.765 5.104 -10.766 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.100 2.679 -10.641 1.00 0.00 H new ATOM 0 HB ILE 1 9 9.723 3.025 -11.465 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.590 1.086 -12.135 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.864 0.470 -11.101 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.142 1.901 -9.786 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.513 3.460 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.787 1.938 -8.633 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 7.742 -0.658 -10.643 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 8.268 0.279 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 6.975 0.904 -10.274 1.00 0.00 H new ATOM 130 N LEU 1 10 6.985 2.556 -8.161 1.00 0.00 N ATOM 131 CA LEU 1 10 6.840 2.548 -6.715 1.00 0.00 C ATOM 132 C LEU 1 10 7.811 1.526 -6.147 1.00 0.00 C ATOM 133 O LEU 1 10 7.414 0.573 -5.476 1.00 0.00 O ATOM 134 CB LEU 1 10 5.403 2.212 -6.303 1.00 0.00 C ATOM 135 CG LEU 1 10 4.673 1.224 -7.216 1.00 0.00 C ATOM 136 CD1 LEU 1 10 3.743 0.336 -6.405 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.898 1.969 -8.291 1.00 0.00 C ATOM 0 H LEU 1 10 6.370 1.909 -8.655 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.063 3.539 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.419 1.804 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 4.828 3.137 -6.264 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.414 0.590 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.232 -0.360 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.323 -0.223 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.006 0.954 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.385 1.252 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.166 2.626 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.587 2.563 -8.891 1.00 0.00 H new ATOM 149 N GLU 1 11 9.093 1.721 -6.452 1.00 0.00 N ATOM 150 CA GLU 1 11 10.132 0.806 -6.007 1.00 0.00 C ATOM 151 C GLU 1 11 11.212 1.529 -5.218 1.00 0.00 C ATOM 152 O GLU 1 11 11.575 1.092 -4.128 1.00 0.00 O ATOM 153 CB GLU 1 11 10.751 0.085 -7.204 1.00 0.00 C ATOM 154 CG GLU 1 11 11.803 -0.942 -6.818 1.00 0.00 C ATOM 155 CD GLU 1 11 11.220 -2.328 -6.622 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.346 -2.723 -7.422 1.00 0.00 O ATOM 157 OE2 GLU 1 11 11.637 -3.018 -5.669 1.00 0.00 O ATOM 0 H GLU 1 11 9.433 2.507 -7.006 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.668 0.073 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 9.961 -0.411 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.202 0.822 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.569 -0.980 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.295 -0.625 -5.898 1.00 0.00 H new ATOM 164 N GLN 1 12 11.737 2.627 -5.767 1.00 0.00 N ATOM 165 CA GLN 1 12 12.788 3.378 -5.072 1.00 0.00 C ATOM 166 C GLN 1 12 12.283 3.945 -3.741 1.00 0.00 C ATOM 167 O GLN 1 12 12.164 5.159 -3.575 1.00 0.00 O ATOM 168 CB GLN 1 12 13.337 4.506 -5.948 1.00 0.00 C ATOM 169 CG GLN 1 12 14.514 5.238 -5.322 1.00 0.00 C ATOM 170 CD GLN 1 12 15.758 4.375 -5.239 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.768 3.343 -4.569 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.816 4.796 -5.923 1.00 0.00 N ATOM 0 H GLN 1 12 11.460 3.011 -6.671 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.597 2.678 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.645 4.093 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.539 5.221 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.734 6.132 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.240 5.571 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.763 5.658 -6.465 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.682 4.257 -5.906 1.00 0.00 H new ATOM 181 N GLY 1 13 12.006 3.049 -2.793 1.00 0.00 N ATOM 182 CA GLY 1 13 11.533 3.444 -1.473 1.00 0.00 C ATOM 183 C GLY 1 13 10.532 4.587 -1.489 1.00 0.00 C ATOM 184 O GLY 1 13 10.493 5.389 -0.556 1.00 0.00 O ATOM 0 H GLY 1 13 12.103 2.041 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.075 2.581 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.389 3.734 -0.864 1.00 0.00 H new ATOM 188 N GLU 1 14 9.720 4.668 -2.538 1.00 0.00 N ATOM 189 CA GLU 1 14 8.726 5.736 -2.633 1.00 0.00 C ATOM 190 C GLU 1 14 7.346 5.277 -2.172 1.00 0.00 C ATOM 191 O GLU 1 14 6.756 5.873 -1.271 1.00 0.00 O ATOM 192 CB GLU 1 14 8.626 6.290 -4.059 1.00 0.00 C ATOM 193 CG GLU 1 14 8.838 5.256 -5.155 1.00 0.00 C ATOM 194 CD GLU 1 14 10.190 5.394 -5.820 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.961 6.285 -5.411 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.480 4.613 -6.749 1.00 0.00 O ATOM 0 H GLU 1 14 9.728 4.018 -3.324 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.069 6.528 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 7.644 6.744 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.363 7.084 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.744 4.256 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.054 5.359 -5.905 1.00 0.00 H new ATOM 203 N ASP 1 15 6.823 4.237 -2.816 1.00 0.00 N ATOM 204 CA ASP 1 15 5.494 3.718 -2.494 1.00 0.00 C ATOM 205 C ASP 1 15 4.414 4.616 -3.099 1.00 0.00 C ATOM 206 O ASP 1 15 3.232 4.485 -2.785 1.00 0.00 O ATOM 207 CB ASP 1 15 5.300 3.617 -0.978 1.00 0.00 C ATOM 208 CG ASP 1 15 4.228 2.616 -0.597 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.031 2.938 -0.757 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.584 1.510 -0.139 1.00 0.00 O ATOM 0 H ASP 1 15 7.299 3.735 -3.566 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.408 2.719 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.243 3.330 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.035 4.597 -0.583 1.00 0.00 H new ATOM 215 N CYS 1 16 4.840 5.532 -3.971 1.00 0.00 N ATOM 216 CA CYS 1 16 3.937 6.466 -4.635 1.00 0.00 C ATOM 217 C CYS 1 16 4.741 7.552 -5.336 1.00 0.00 C ATOM 218 O CYS 1 16 4.882 8.662 -4.824 1.00 0.00 O ATOM 219 CB CYS 1 16 2.967 7.096 -3.633 1.00 0.00 C ATOM 220 SG CYS 1 16 1.268 6.440 -3.715 1.00 0.00 S ATOM 0 H CYS 1 16 5.819 5.645 -4.234 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.354 5.915 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.354 6.943 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.937 8.172 -3.803 1.00 0.00 H new ATOM 225 N ASP 1 17 5.276 7.221 -6.504 1.00 0.00 N ATOM 226 CA ASP 1 17 6.079 8.166 -7.265 1.00 0.00 C ATOM 227 C ASP 1 17 5.635 8.228 -8.724 1.00 0.00 C ATOM 228 O ASP 1 17 4.979 7.319 -9.232 1.00 0.00 O ATOM 229 CB ASP 1 17 7.558 7.774 -7.183 1.00 0.00 C ATOM 230 CG ASP 1 17 8.422 8.526 -8.179 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.629 9.743 -7.987 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.887 7.898 -9.153 1.00 0.00 O ATOM 0 H ASP 1 17 5.168 6.307 -6.943 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.939 9.156 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.924 7.965 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.656 6.703 -7.360 1.00 0.00 H new ATOM 237 N CYS 1 18 6.020 9.311 -9.388 1.00 0.00 N ATOM 238 CA CYS 1 18 5.695 9.517 -10.792 1.00 0.00 C ATOM 239 C CYS 1 18 6.968 9.780 -11.594 1.00 0.00 C ATOM 240 O CYS 1 18 7.902 10.413 -11.102 1.00 0.00 O ATOM 241 CB CYS 1 18 4.733 10.695 -10.954 1.00 0.00 C ATOM 242 SG CYS 1 18 3.092 10.433 -10.208 1.00 0.00 S ATOM 0 H CYS 1 18 6.563 10.067 -8.970 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.213 8.614 -11.168 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.184 11.581 -10.508 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.607 10.902 -12.017 1.00 0.00 H new ATOM 247 N GLY 1 19 7.004 9.295 -12.828 1.00 0.00 N ATOM 248 CA GLY 1 19 8.170 9.499 -13.669 1.00 0.00 C ATOM 249 C GLY 1 19 8.601 10.953 -13.713 1.00 0.00 C ATOM 250 O GLY 1 19 9.779 11.265 -13.539 1.00 0.00 O ATOM 0 H GLY 1 19 6.249 8.765 -13.262 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.994 8.889 -13.298 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.950 9.157 -14.680 1.00 0.00 H new ATOM 254 N SER 1 20 7.640 11.844 -13.939 1.00 0.00 N ATOM 255 CA SER 1 20 7.919 13.274 -13.999 1.00 0.00 C ATOM 256 C SER 1 20 6.828 14.069 -13.279 1.00 0.00 C ATOM 257 O SER 1 20 5.641 13.880 -13.542 1.00 0.00 O ATOM 258 CB SER 1 20 8.024 13.734 -15.454 1.00 0.00 C ATOM 259 OG SER 1 20 9.366 13.688 -15.908 1.00 0.00 O ATOM 0 H SER 1 20 6.660 11.600 -14.084 1.00 0.00 H new ATOM 0 HA SER 1 20 8.870 13.456 -13.499 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.401 13.100 -16.085 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.640 14.750 -15.546 1.00 0.00 H new ATOM 0 HG SER 1 20 9.406 13.985 -16.841 1.00 0.00 H new ATOM 265 N PRO 1 21 7.213 14.973 -12.357 1.00 0.00 N ATOM 266 CA PRO 1 21 6.254 15.791 -11.606 1.00 0.00 C ATOM 267 C PRO 1 21 5.191 16.420 -12.503 1.00 0.00 C ATOM 268 O PRO 1 21 4.078 16.701 -12.059 1.00 0.00 O ATOM 269 CB PRO 1 21 7.133 16.874 -10.982 1.00 0.00 C ATOM 270 CG PRO 1 21 8.466 16.230 -10.823 1.00 0.00 C ATOM 271 CD PRO 1 21 8.608 15.267 -11.972 1.00 0.00 C ATOM 0 HA PRO 1 21 5.695 15.200 -10.881 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.192 17.754 -11.622 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.735 17.204 -10.022 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.262 16.974 -10.839 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.535 15.709 -9.868 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.167 15.708 -12.797 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.140 14.364 -11.674 1.00 0.00 H new ATOM 279 N ALA 1 22 5.540 16.638 -13.767 1.00 0.00 N ATOM 280 CA ALA 1 22 4.615 17.231 -14.724 1.00 0.00 C ATOM 281 C ALA 1 22 3.716 16.168 -15.344 1.00 0.00 C ATOM 282 O ALA 1 22 2.585 16.450 -15.741 1.00 0.00 O ATOM 283 CB ALA 1 22 5.381 17.975 -15.808 1.00 0.00 C ATOM 0 H ALA 1 22 6.457 16.412 -14.152 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.983 17.941 -14.191 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.677 18.413 -16.516 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.978 18.766 -15.354 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.037 17.280 -16.332 1.00 0.00 H new ATOM 289 N ASN 1 23 4.225 14.943 -15.419 1.00 0.00 N ATOM 290 CA ASN 1 23 3.469 13.833 -15.985 1.00 0.00 C ATOM 291 C ASN 1 23 3.012 12.873 -14.890 1.00 0.00 C ATOM 292 O ASN 1 23 2.734 11.703 -15.152 1.00 0.00 O ATOM 293 CB ASN 1 23 4.315 13.084 -17.016 1.00 0.00 C ATOM 294 CG ASN 1 23 4.173 13.662 -18.410 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.791 12.963 -19.349 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.481 14.946 -18.553 1.00 0.00 N ATOM 0 H ASN 1 23 5.159 14.694 -15.094 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.587 14.241 -16.478 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.362 13.118 -16.716 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.022 12.034 -17.029 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 4.405 15.390 -19.468 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.794 15.488 -17.748 1.00 0.00 H new ATOM 303 N CYS 1 24 2.941 13.375 -13.661 1.00 0.00 N ATOM 304 CA CYS 1 24 2.523 12.567 -12.526 1.00 0.00 C ATOM 305 C CYS 1 24 1.042 12.235 -12.612 1.00 0.00 C ATOM 306 O CYS 1 24 0.201 12.933 -12.046 1.00 0.00 O ATOM 307 CB CYS 1 24 2.825 13.292 -11.215 1.00 0.00 C ATOM 308 SG CYS 1 24 2.478 12.307 -9.720 1.00 0.00 S ATOM 0 H CYS 1 24 3.169 14.341 -13.428 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.086 11.634 -12.550 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.875 13.585 -11.208 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.238 14.210 -11.176 1.00 0.00 H new ATOM 313 N GLN 1 25 0.733 11.160 -13.325 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.648 10.721 -13.493 1.00 0.00 C ATOM 315 C GLN 1 25 -1.088 9.830 -12.332 1.00 0.00 C ATOM 316 O GLN 1 25 -1.709 8.786 -12.535 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.808 9.979 -14.822 1.00 0.00 C ATOM 318 CG GLN 1 25 -1.436 10.828 -15.914 1.00 0.00 C ATOM 319 CD GLN 1 25 -1.587 10.076 -17.222 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -2.673 10.024 -17.800 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.495 9.489 -17.697 1.00 0.00 N ATOM 0 H GLN 1 25 1.421 10.574 -13.798 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.286 11.604 -13.501 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 0.170 9.634 -15.157 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -1.422 9.092 -14.663 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -2.415 11.174 -15.583 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.823 11.715 -16.077 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.385 9.558 -17.185 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.536 8.969 -18.574 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.772 10.254 -11.112 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.142 9.507 -9.920 1.00 0.00 C ATOM 332 C ASP 1 26 -1.641 10.459 -8.841 1.00 0.00 C ATOM 333 O ASP 1 26 -0.853 11.043 -8.099 1.00 0.00 O ATOM 334 CB ASP 1 26 0.051 8.702 -9.403 1.00 0.00 C ATOM 335 CG ASP 1 26 0.695 7.861 -10.487 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.041 7.352 -11.359 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.935 7.711 -10.465 1.00 0.00 O ATOM 0 H ASP 1 26 -0.258 11.115 -10.925 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.943 8.814 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.793 9.384 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.277 8.053 -8.591 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.955 10.619 -8.771 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.566 11.510 -7.795 1.00 0.00 C ATOM 344 C ARG 1 27 -3.274 11.059 -6.365 1.00 0.00 C ATOM 345 O ARG 1 27 -3.338 11.858 -5.431 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.073 11.580 -8.028 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.795 12.522 -7.079 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.992 13.178 -7.749 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.116 13.336 -6.829 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.364 13.583 -7.219 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.652 13.700 -8.510 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.327 13.712 -6.317 1.00 0.00 N ATOM 0 H ARG 1 27 -3.620 10.142 -9.380 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.133 12.502 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.259 11.899 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.495 10.580 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.126 11.970 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.104 13.291 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.701 14.154 -8.136 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.304 12.577 -8.603 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.933 13.252 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.915 13.600 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.610 13.889 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.111 13.622 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -11.284 13.901 -6.616 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.954 9.780 -6.197 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.653 9.240 -4.876 1.00 0.00 C ATOM 368 C CYS 1 28 -1.147 9.043 -4.681 1.00 0.00 C ATOM 369 O CYS 1 28 -0.708 8.570 -3.633 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.391 7.915 -4.664 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.085 8.107 -4.017 1.00 0.00 S ATOM 0 H CYS 1 28 -2.897 9.101 -6.956 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.995 9.962 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.433 7.379 -5.612 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.817 7.297 -3.973 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.360 9.416 -5.690 1.00 0.00 N ATOM 377 CA CYS 1 29 1.093 9.286 -5.620 1.00 0.00 C ATOM 378 C CYS 1 29 1.773 10.496 -6.260 1.00 0.00 C ATOM 379 O CYS 1 29 1.483 10.846 -7.403 1.00 0.00 O ATOM 380 CB CYS 1 29 1.551 8.008 -6.325 1.00 0.00 C ATOM 381 SG CYS 1 29 0.792 6.476 -5.691 1.00 0.00 S ATOM 0 H CYS 1 29 -0.705 9.810 -6.565 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.377 9.235 -4.569 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.327 8.095 -7.388 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.634 7.926 -6.233 1.00 0.00 H new ATOM 386 N ASN 1 30 2.672 11.134 -5.517 1.00 0.00 N ATOM 387 CA ASN 1 30 3.381 12.309 -6.020 1.00 0.00 C ATOM 388 C ASN 1 30 4.868 12.022 -6.221 1.00 0.00 C ATOM 389 O ASN 1 30 5.523 11.428 -5.361 1.00 0.00 O ATOM 390 CB ASN 1 30 3.193 13.487 -5.057 1.00 0.00 C ATOM 391 CG ASN 1 30 4.067 14.678 -5.404 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.712 15.251 -4.394 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 4.162 15.077 -6.564 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.927 10.860 -4.568 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.959 12.567 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.147 13.795 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.419 13.160 -4.042 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.648 14.606 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.755 15.878 -6.781 1.00 0.00 H new ATOM 400 N ALA 1 31 5.389 12.462 -7.368 1.00 0.00 N ATOM 401 CA ALA 1 31 6.797 12.274 -7.701 1.00 0.00 C ATOM 402 C ALA 1 31 7.675 13.214 -6.889 1.00 0.00 C ATOM 403 O ALA 1 31 8.733 12.825 -6.395 1.00 0.00 O ATOM 404 CB ALA 1 31 7.022 12.515 -9.185 1.00 0.00 C ATOM 0 H ALA 1 31 4.852 12.953 -8.083 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.069 11.247 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.076 12.372 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.422 11.812 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.729 13.534 -9.437 1.00 0.00 H new ATOM 410 N ALA 1 32 7.223 14.456 -6.756 1.00 0.00 N ATOM 411 CA ALA 1 32 7.959 15.465 -6.003 1.00 0.00 C ATOM 412 C ALA 1 32 8.239 15.001 -4.576 1.00 0.00 C ATOM 413 O ALA 1 32 9.106 15.549 -3.895 1.00 0.00 O ATOM 414 CB ALA 1 32 7.188 16.777 -5.993 1.00 0.00 C ATOM 0 H ALA 1 32 6.348 14.789 -7.161 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.919 15.620 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.747 17.523 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.050 17.126 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.215 16.623 -5.527 1.00 0.00 H new ATOM 420 N THR 1 33 7.500 13.990 -4.127 1.00 0.00 N ATOM 421 CA THR 1 33 7.671 13.456 -2.785 1.00 0.00 C ATOM 422 C THR 1 33 8.043 11.981 -2.832 1.00 0.00 C ATOM 423 O THR 1 33 8.483 11.412 -1.833 1.00 0.00 O ATOM 424 CB THR 1 33 6.377 13.622 -1.982 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.601 13.354 -0.609 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.258 12.710 -2.453 1.00 0.00 C ATOM 0 H THR 1 33 6.777 13.526 -4.676 1.00 0.00 H new ATOM 0 HA THR 1 33 8.477 14.010 -2.303 1.00 0.00 H new ATOM 0 HB THR 1 33 6.071 14.657 -2.137 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.318 12.692 -0.518 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.371 12.878 -1.843 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.027 12.926 -3.496 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.572 11.670 -2.359 1.00 0.00 H new ATOM 434 N CYS 1 34 7.829 11.353 -3.986 1.00 0.00 N ATOM 435 CA CYS 1 34 8.107 9.936 -4.134 1.00 0.00 C ATOM 436 C CYS 1 34 7.407 9.181 -3.010 1.00 0.00 C ATOM 437 O CYS 1 34 7.992 8.323 -2.355 1.00 0.00 O ATOM 438 CB CYS 1 34 9.618 9.667 -4.116 1.00 0.00 C ATOM 439 SG CYS 1 34 10.287 9.064 -5.703 1.00 0.00 S ATOM 0 H CYS 1 34 7.466 11.805 -4.825 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.730 9.590 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.136 10.586 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.836 8.933 -3.340 1.00 0.00 H new ATOM 444 N LYS 1 35 6.149 9.544 -2.779 1.00 0.00 N ATOM 445 CA LYS 1 35 5.354 8.937 -1.718 1.00 0.00 C ATOM 446 C LYS 1 35 3.887 9.351 -1.848 1.00 0.00 C ATOM 447 O LYS 1 35 3.563 10.310 -2.548 1.00 0.00 O ATOM 448 CB LYS 1 35 5.938 9.346 -0.350 1.00 0.00 C ATOM 449 CG LYS 1 35 4.914 9.580 0.758 1.00 0.00 C ATOM 450 CD LYS 1 35 4.509 8.278 1.430 1.00 0.00 C ATOM 451 CE LYS 1 35 5.285 8.052 2.718 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.860 8.988 3.794 1.00 0.00 N ATOM 0 H LYS 1 35 5.657 10.259 -3.315 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.394 7.851 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.630 8.570 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.520 10.258 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.331 10.260 1.501 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.031 10.065 0.342 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 3.441 8.295 1.646 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 4.683 7.446 0.748 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 5.141 7.025 3.053 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 6.351 8.179 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 5.157 8.613 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.301 9.917 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 3.825 9.089 3.778 1.00 0.00 H new ATOM 466 N LEU 1 36 3.007 8.615 -1.174 1.00 0.00 N ATOM 467 CA LEU 1 36 1.573 8.894 -1.214 1.00 0.00 C ATOM 468 C LEU 1 36 1.282 10.381 -1.026 1.00 0.00 C ATOM 469 O LEU 1 36 1.997 11.080 -0.308 1.00 0.00 O ATOM 470 CB LEU 1 36 0.848 8.085 -0.136 1.00 0.00 C ATOM 471 CG LEU 1 36 0.739 6.585 -0.413 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.847 5.793 0.881 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.568 6.270 -1.126 1.00 0.00 C ATOM 0 H LEU 1 36 3.263 7.818 -0.591 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.208 8.601 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.366 8.227 0.812 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.157 8.490 -0.014 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.565 6.293 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.767 4.728 0.663 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.808 5.996 1.353 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.043 6.087 1.556 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.630 5.198 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.407 6.577 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.605 6.809 -2.073 1.00 0.00 H new ATOM 485 N THR 1 37 0.223 10.852 -1.677 1.00 0.00 N ATOM 486 CA THR 1 37 -0.176 12.252 -1.588 1.00 0.00 C ATOM 487 C THR 1 37 -1.133 12.466 -0.417 1.00 0.00 C ATOM 488 O THR 1 37 -1.664 11.507 0.143 1.00 0.00 O ATOM 489 CB THR 1 37 -0.842 12.693 -2.893 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.358 11.576 -3.595 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.096 13.427 -3.826 1.00 0.00 C ATOM 0 H THR 1 37 -0.376 10.282 -2.274 1.00 0.00 H new ATOM 0 HA THR 1 37 0.717 12.854 -1.421 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.638 13.375 -2.594 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -1.956 11.885 -4.307 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.440 13.711 -4.732 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.474 14.322 -3.332 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.931 12.777 -4.088 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.374 13.732 -0.033 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.279 14.059 1.074 1.00 0.00 C ATOM 501 C PRO 1 38 -3.678 13.496 0.850 1.00 0.00 C ATOM 502 O PRO 1 38 -4.369 13.878 -0.094 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.311 15.594 1.086 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.765 16.012 -0.238 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.795 14.940 -0.641 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.940 13.629 2.017 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.326 15.965 1.227 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.710 15.993 1.903 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.562 16.114 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.270 16.980 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.718 14.850 -1.725 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.209 15.141 -0.266 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.086 12.580 1.722 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.398 11.971 1.601 1.00 0.00 C ATOM 515 C GLY 1 39 -5.318 10.501 1.238 1.00 0.00 C ATOM 516 O GLY 1 39 -6.200 9.719 1.589 1.00 0.00 O ATOM 0 H GLY 1 39 -3.531 12.248 2.511 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.936 12.082 2.543 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.973 12.500 0.841 1.00 0.00 H new ATOM 520 N SER 1 40 -4.252 10.127 0.536 1.00 0.00 N ATOM 521 CA SER 1 40 -4.052 8.742 0.127 1.00 0.00 C ATOM 522 C SER 1 40 -3.065 8.045 1.056 1.00 0.00 C ATOM 523 O SER 1 40 -1.955 8.531 1.275 1.00 0.00 O ATOM 524 CB SER 1 40 -3.543 8.683 -1.314 1.00 0.00 C ATOM 525 OG SER 1 40 -2.150 8.939 -1.374 1.00 0.00 O ATOM 0 H SER 1 40 -3.514 10.765 0.239 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.010 8.226 0.186 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.754 7.701 -1.738 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.077 9.414 -1.922 1.00 0.00 H new ATOM 0 HG SER 1 40 -1.793 8.609 -2.225 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.477 6.909 1.604 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.628 6.150 2.515 1.00 0.00 C ATOM 533 C GLN 1 41 -2.225 4.808 1.911 1.00 0.00 C ATOM 534 O GLN 1 41 -1.203 4.233 2.283 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.350 5.924 3.844 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.370 7.150 4.742 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.330 7.083 5.843 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.659 7.147 7.028 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -1.066 6.954 5.457 1.00 0.00 N ATOM 0 H GLN 1 41 -4.393 6.493 1.434 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.722 6.731 2.689 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.376 5.615 3.643 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.868 5.103 4.375 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.198 8.041 4.138 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.359 7.253 5.188 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -0.839 6.905 4.464 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -0.323 6.904 6.154 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.036 4.306 0.984 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.758 3.025 0.346 1.00 0.00 C ATOM 550 C CYS 1 42 -3.083 3.053 -1.142 1.00 0.00 C ATOM 551 O CYS 1 42 -4.235 2.881 -1.540 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.551 1.917 1.025 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.589 0.393 1.278 1.00 0.00 S ATOM 0 H CYS 1 42 -3.887 4.765 0.660 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.691 2.830 0.453 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.910 2.276 1.990 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.430 1.688 0.423 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.057 3.253 -1.961 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.228 3.283 -3.408 1.00 0.00 C ATOM 560 C ASN 1 43 -1.719 1.988 -4.040 1.00 0.00 C ATOM 561 O ASN 1 43 -1.686 1.855 -5.263 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.490 4.479 -4.009 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.771 4.643 -5.490 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.749 5.279 -5.882 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.911 4.067 -6.322 1.00 0.00 N ATOM 0 H ASN 1 43 -1.097 3.397 -1.647 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.293 3.381 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.785 5.387 -3.483 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.418 4.356 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -1.048 4.143 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.113 3.549 -5.953 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.324 1.035 -3.198 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.818 -0.248 -3.673 1.00 0.00 C ATOM 574 C TYR 1 44 -0.482 -1.149 -2.486 1.00 0.00 C ATOM 575 O TYR 1 44 0.349 -0.803 -1.646 1.00 0.00 O ATOM 576 CB TYR 1 44 0.405 -0.036 -4.582 1.00 0.00 C ATOM 577 CG TYR 1 44 1.710 -0.543 -4.009 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.943 -1.904 -3.870 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.701 0.339 -3.602 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.126 -2.373 -3.342 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.890 -0.121 -3.074 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.099 -1.479 -2.946 1.00 0.00 C ATOM 583 OH TYR 1 44 5.282 -1.944 -2.418 1.00 0.00 O ATOM 0 H TYR 1 44 -1.345 1.129 -2.183 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.589 -0.742 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.224 -0.534 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.505 1.029 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.184 -2.607 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.539 1.402 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.291 -3.435 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.653 0.578 -2.763 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.859 -1.185 -2.191 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.151 -2.293 -2.412 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.935 -3.217 -1.313 1.00 0.00 C ATOM 595 C GLY 1 45 -2.213 -3.929 -0.904 1.00 0.00 C ATOM 596 O GLY 1 45 -3.307 -3.539 -1.312 1.00 0.00 O ATOM 0 H GLY 1 45 -1.843 -2.599 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.186 -3.955 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.533 -2.674 -0.457 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.073 -4.980 -0.104 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.218 -5.764 0.351 1.00 0.00 C ATOM 602 C GLU 1 46 -4.229 -4.923 1.125 1.00 0.00 C ATOM 603 O GLU 1 46 -5.437 -5.039 0.917 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.737 -6.912 1.239 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.895 -8.286 0.605 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.292 -8.525 0.066 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -5.262 -8.063 0.704 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.417 -9.174 -0.994 1.00 0.00 O ATOM 0 H GLU 1 46 -1.174 -5.311 0.245 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.717 -6.150 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.687 -6.754 1.484 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.290 -6.889 2.178 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.174 -8.393 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -2.659 -9.052 1.344 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.731 -4.110 2.045 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.593 -3.285 2.884 1.00 0.00 C ATOM 617 C CYS 1 47 -5.231 -2.123 2.122 1.00 0.00 C ATOM 618 O CYS 1 47 -6.164 -1.495 2.620 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.792 -2.751 4.069 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.824 -3.834 5.531 1.00 0.00 S ATOM 0 H CYS 1 47 -2.734 -4.003 2.231 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.408 -3.920 3.231 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.757 -2.606 3.759 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.182 -1.772 4.346 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.726 -1.817 0.934 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.260 -0.706 0.155 1.00 0.00 C ATOM 627 C CYS 1 48 -6.670 -0.969 -0.356 1.00 0.00 C ATOM 628 O CYS 1 48 -7.022 -2.089 -0.728 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.330 -0.382 -1.009 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.578 -0.445 -0.557 1.00 0.00 S ATOM 0 H CYS 1 48 -3.955 -2.317 0.491 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.320 0.151 0.826 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.515 -1.085 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.566 0.612 -1.389 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.464 0.095 -0.368 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.844 0.045 -0.827 1.00 0.00 C ATOM 637 C ASP 1 49 -9.392 1.462 -0.950 1.00 0.00 C ATOM 638 O ASP 1 49 -9.556 2.161 0.050 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.702 -0.771 0.142 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.895 -1.411 -0.542 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.687 -2.164 -1.516 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.036 -1.160 -0.102 1.00 0.00 O ATOM 0 H ASP 1 49 -7.166 1.020 -0.058 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.876 -0.439 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.089 -1.547 0.600 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.052 -0.124 0.947 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.652 1.891 -2.181 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.160 3.236 -2.426 1.00 0.00 C ATOM 649 C GLN 1 50 -9.129 4.281 -2.004 1.00 0.00 C ATOM 650 O GLN 1 50 -9.480 5.379 -1.572 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.475 3.458 -1.672 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.711 3.209 -2.521 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.941 3.912 -1.980 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.842 4.968 -1.354 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -15.109 3.328 -2.218 1.00 0.00 N ATOM 0 H GLN 1 50 -9.520 1.329 -3.022 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.348 3.342 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.502 2.800 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.501 4.481 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.522 3.548 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.902 2.137 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -15.145 2.453 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.971 3.754 -1.878 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.853 3.924 -2.134 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.755 4.816 -1.771 1.00 0.00 C ATOM 666 C CYS 1 51 -6.723 5.067 -0.264 1.00 0.00 C ATOM 667 O CYS 1 51 -6.283 6.123 0.190 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.865 6.142 -2.529 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.836 6.221 -4.032 1.00 0.00 S ATOM 0 H CYS 1 51 -7.553 3.017 -2.491 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.822 4.328 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.907 6.306 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.580 6.955 -1.862 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.183 4.083 0.505 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.199 4.189 1.961 1.00 0.00 C ATOM 676 C ARG 1 52 -6.932 2.828 2.597 1.00 0.00 C ATOM 677 O ARG 1 52 -7.352 1.798 2.069 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.546 4.735 2.441 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.620 6.253 2.442 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.280 6.826 3.808 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.529 8.075 3.706 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.281 8.878 4.739 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -7.722 8.566 5.952 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.590 9.995 4.559 1.00 0.00 N ATOM 0 H ARG 1 52 -7.550 3.203 0.143 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.411 4.879 2.264 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.337 4.341 1.803 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.739 4.369 3.450 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.932 6.652 1.697 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.622 6.570 2.152 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.199 7.000 4.367 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.697 6.098 4.372 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.174 8.348 2.790 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.254 7.708 6.096 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -7.529 9.185 6.740 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.248 10.239 3.629 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -6.400 10.610 5.350 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.227 2.822 3.726 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.912 1.571 4.409 1.00 0.00 C ATOM 700 C PHE 1 53 -7.176 0.847 4.827 1.00 0.00 C ATOM 701 O PHE 1 53 -8.149 1.463 5.263 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.024 1.808 5.634 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.615 2.184 5.285 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.018 1.676 4.146 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.887 3.040 6.094 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.727 2.012 3.815 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.588 3.381 5.769 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.007 2.866 4.627 1.00 0.00 C ATOM 0 H PHE 1 53 -5.867 3.660 4.183 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.364 0.949 3.701 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.462 2.598 6.244 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.011 0.905 6.244 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.574 1.006 3.507 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.339 3.445 6.987 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.276 1.608 2.921 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.028 4.049 6.407 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.008 3.130 4.370 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.149 -0.469 4.695 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.291 -1.289 5.064 1.00 0.00 C ATOM 720 C LYS 1 54 -8.494 -1.262 6.573 1.00 0.00 C ATOM 721 O LYS 1 54 -7.796 -1.953 7.311 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.095 -2.726 4.578 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.929 -3.066 3.355 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.196 -4.017 2.424 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.894 -4.119 1.078 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.825 -5.498 0.519 1.00 0.00 N ATOM 0 H LYS 1 54 -6.350 -0.992 4.336 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.181 -0.881 4.586 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.042 -2.883 4.346 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.349 -3.413 5.385 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.870 -3.517 3.670 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.178 -2.151 2.818 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.172 -3.671 2.280 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.138 -5.005 2.882 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.937 -3.823 1.187 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.436 -3.420 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.313 -5.525 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.830 -5.771 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.284 -6.162 1.175 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.450 -0.448 7.021 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.754 -0.308 8.448 1.00 0.00 C ATOM 742 C LYS 1 55 -9.427 -1.583 9.219 1.00 0.00 C ATOM 743 O LYS 1 55 -9.863 -2.676 8.846 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.229 0.050 8.641 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.608 0.305 10.090 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.767 1.415 10.700 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.131 1.654 12.156 1.00 0.00 C ATOM 748 NZ LYS 1 55 -10.197 0.958 13.083 1.00 0.00 N ATOM 0 H LYS 1 55 -10.031 0.129 6.413 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.130 0.494 8.842 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.459 0.938 8.052 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.845 -0.760 8.250 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.663 0.572 10.149 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.478 -0.610 10.667 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.711 1.155 10.626 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -10.910 2.335 10.133 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.117 2.724 12.363 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.148 1.307 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.479 1.146 14.066 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.229 -0.066 12.903 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -9.230 1.307 12.928 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.646 -1.439 10.289 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.254 -2.581 11.105 1.00 0.00 C ATOM 764 C ALA 1 56 -9.428 -3.524 11.309 1.00 0.00 C ATOM 765 O ALA 1 56 -10.514 -3.103 11.709 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.712 -2.128 12.447 1.00 0.00 C ATOM 0 H ALA 1 56 -8.275 -0.544 10.608 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.464 -3.114 10.575 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.427 -2.999 13.037 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.840 -1.493 12.292 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.480 -1.566 12.978 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.212 -4.792 11.010 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.275 -5.767 11.144 1.00 0.00 C ATOM 774 C GLY 1 57 -10.650 -6.370 9.807 1.00 0.00 C ATOM 775 O GLY 1 57 -11.388 -7.353 9.744 1.00 0.00 O ATOM 0 H GLY 1 57 -8.323 -5.166 10.678 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.960 -6.558 11.825 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.150 -5.293 11.588 1.00 0.00 H new ATOM 779 N THR 1 58 -10.124 -5.785 8.733 1.00 0.00 N ATOM 780 CA THR 1 58 -10.383 -6.278 7.389 1.00 0.00 C ATOM 781 C THR 1 58 -9.489 -7.479 7.092 1.00 0.00 C ATOM 782 O THR 1 58 -8.272 -7.340 6.971 1.00 0.00 O ATOM 783 CB THR 1 58 -10.124 -5.173 6.366 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.999 -4.079 6.575 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.293 -5.631 4.935 1.00 0.00 C ATOM 0 H THR 1 58 -9.515 -4.968 8.771 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.427 -6.586 7.322 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.085 -4.880 6.516 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.683 -3.548 7.336 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.095 -4.798 4.261 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.594 -6.441 4.727 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.313 -5.985 4.784 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.092 -8.659 6.987 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.332 -9.872 6.717 1.00 0.00 C ATOM 795 C VAL 1 59 -8.790 -9.888 5.291 1.00 0.00 C ATOM 796 O VAL 1 59 -9.553 -9.873 4.326 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.183 -11.141 6.940 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.427 -11.112 6.065 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.362 -12.395 6.669 1.00 0.00 C ATOM 0 H VAL 1 59 -11.098 -8.800 7.084 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.499 -9.872 7.420 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.499 -11.161 7.983 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.014 -12.015 6.236 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.027 -10.237 6.314 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.133 -11.064 5.016 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.981 -13.277 6.832 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.011 -12.384 5.637 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.506 -12.422 7.343 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.467 -9.932 5.169 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.824 -9.967 3.857 1.00 0.00 C ATOM 811 C CYS 1 60 -6.330 -11.373 3.534 1.00 0.00 C ATOM 812 O CYS 1 60 -6.204 -11.746 2.368 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.648 -8.993 3.803 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.040 -7.314 4.379 1.00 0.00 S ATOM 0 H CYS 1 60 -6.820 -9.944 5.958 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.567 -9.671 3.117 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.834 -9.391 4.408 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.285 -8.937 2.777 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.041 -12.145 4.577 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.548 -13.509 4.407 1.00 0.00 C ATOM 821 C ARG 1 61 -5.908 -14.386 5.603 1.00 0.00 C ATOM 822 O ARG 1 61 -6.400 -13.902 6.621 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.030 -13.504 4.214 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.545 -12.441 3.245 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.032 -12.471 3.090 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.342 -12.208 4.351 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.116 -11.698 4.436 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.567 -11.400 3.337 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.432 -11.491 5.625 1.00 0.00 N ATOM 0 H ARG 1 61 -6.139 -11.850 5.549 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.027 -13.924 3.521 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.550 -13.350 5.180 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.714 -14.483 3.854 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.014 -12.593 2.273 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.855 -11.458 3.598 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.727 -13.445 2.707 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.730 -11.729 2.351 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.830 -12.429 5.219 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 0.152 -11.562 2.419 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 1.506 -11.009 3.411 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.086 -11.723 6.473 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.372 -11.100 5.692 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.649 -15.681 5.466 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.924 -16.651 6.518 1.00 0.00 C ATOM 845 C ILE 1 62 -5.073 -17.894 6.309 1.00 0.00 C ATOM 846 O ILE 1 62 -5.068 -18.478 5.225 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.408 -17.084 6.567 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.348 -15.879 6.493 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.681 -17.878 7.834 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.473 -15.294 5.107 1.00 0.00 C ATOM 0 H ILE 1 62 -5.243 -16.087 4.623 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.683 -16.159 7.461 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.599 -17.713 5.698 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.336 -16.178 6.843 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.989 -15.107 7.173 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.729 -18.177 7.857 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.050 -18.766 7.850 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.461 -17.261 8.705 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.155 -14.444 5.131 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.493 -14.964 4.762 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.861 -16.051 4.426 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.353 -18.291 7.346 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.489 -19.466 7.277 1.00 0.00 C ATOM 864 C ALA 1 63 -4.202 -20.643 6.620 1.00 0.00 C ATOM 865 O ALA 1 63 -3.861 -21.043 5.507 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.996 -19.844 8.665 1.00 0.00 C ATOM 0 H ALA 1 63 -4.348 -17.817 8.249 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.628 -19.214 6.658 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.353 -20.722 8.596 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.432 -19.013 9.089 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.849 -20.068 9.306 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.195 -21.190 7.311 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.958 -22.321 6.786 1.00 0.00 C ATOM 874 C ARG 1 64 -7.016 -22.790 7.780 1.00 0.00 C ATOM 875 O ARG 1 64 -6.916 -23.882 8.341 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.022 -23.482 6.437 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.442 -24.249 5.194 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.358 -23.382 3.949 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.586 -24.152 2.728 1.00 0.00 N ATOM 880 CZ ARG 1 64 -4.676 -24.951 2.175 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -3.477 -25.087 2.730 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -4.965 -25.616 1.065 1.00 0.00 N ATOM 0 H ARG 1 64 -5.492 -20.872 8.233 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.466 -21.984 5.882 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.014 -23.094 6.291 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.980 -24.170 7.281 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.804 -25.124 5.073 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.462 -24.613 5.317 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.094 -22.581 4.015 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.377 -22.910 3.902 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.495 -24.073 2.273 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -3.250 -24.578 3.584 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -2.784 -25.701 2.302 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -5.884 -25.515 0.635 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -4.268 -26.228 0.641 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.034 -21.963 7.990 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.095 -22.320 8.912 1.00 0.00 C ATOM 898 C GLY 1 65 -9.682 -21.115 9.617 1.00 0.00 C ATOM 899 O GLY 1 65 -10.326 -20.272 8.991 1.00 0.00 O ATOM 0 H GLY 1 65 -8.143 -21.054 7.540 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.885 -22.839 8.369 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.707 -23.018 9.654 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.457 -21.032 10.922 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.965 -19.921 11.716 1.00 0.00 C ATOM 905 C ASP 1 66 -9.359 -19.927 13.114 1.00 0.00 C ATOM 906 O ASP 1 66 -9.968 -20.412 14.068 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.490 -19.984 11.804 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.136 -18.621 11.654 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.542 -17.628 12.126 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.234 -18.545 11.064 1.00 0.00 O ATOM 0 H ASP 1 66 -8.925 -21.722 11.453 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.677 -18.993 11.222 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.868 -20.649 11.028 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.778 -20.416 12.763 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.155 -19.385 13.222 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.446 -19.318 14.496 1.00 0.00 C ATOM 917 C TRP 1 67 -7.152 -17.869 14.857 1.00 0.00 C ATOM 918 O TRP 1 67 -7.729 -17.313 15.791 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.138 -20.115 14.413 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.815 -20.588 13.029 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.451 -19.819 11.961 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.839 -21.937 12.561 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.250 -20.609 10.859 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.480 -21.914 11.202 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.128 -23.162 13.162 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.403 -23.070 10.434 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.051 -24.312 12.400 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.691 -24.259 11.047 1.00 0.00 C ATOM 0 H TRP 1 67 -7.643 -18.982 12.437 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.076 -19.753 15.272 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.319 -19.494 14.777 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.204 -20.977 15.077 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.338 -18.745 11.982 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.974 -20.278 9.934 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.407 -23.211 14.204 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.126 -23.031 9.391 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.272 -25.267 12.854 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.640 -25.175 10.477 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.258 -17.266 14.089 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.875 -15.874 14.287 1.00 0.00 C ATOM 941 C ASN 1 68 -6.349 -15.033 13.108 1.00 0.00 C ATOM 942 O ASN 1 68 -6.764 -13.885 13.272 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.357 -15.746 14.443 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.753 -16.883 15.246 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.595 -18.038 14.609 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.432 -16.725 16.424 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.779 -17.724 13.314 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.347 -15.512 15.201 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.895 -15.719 13.456 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.124 -14.799 14.930 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.571 -15.820 16.874 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.027 -17.499 16.950 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.292 -15.623 11.916 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.721 -14.947 10.698 1.00 0.00 C ATOM 955 C ASP 1 69 -5.886 -13.704 10.428 1.00 0.00 C ATOM 956 O ASP 1 69 -5.434 -13.032 11.355 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.194 -14.558 10.802 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.122 -15.668 10.349 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.017 -16.788 10.894 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.952 -15.419 9.451 1.00 0.00 O ATOM 0 H ASP 1 69 -5.951 -16.573 11.770 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.582 -15.641 9.869 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.425 -14.295 11.834 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.375 -13.669 10.198 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.696 -13.395 9.150 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.928 -12.222 8.758 1.00 0.00 C ATOM 967 C ASP 1 70 -5.827 -10.999 8.709 1.00 0.00 C ATOM 968 O ASP 1 70 -6.871 -11.017 8.059 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.267 -12.442 7.398 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.185 -11.428 7.116 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.476 -10.219 7.205 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.047 -11.842 6.809 1.00 0.00 O ATOM 0 H ASP 1 70 -6.063 -13.940 8.370 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.147 -12.058 9.500 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.841 -13.445 7.362 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.024 -12.389 6.616 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.435 -9.943 9.414 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.244 -8.734 9.456 1.00 0.00 C ATOM 979 C TYR 1 71 -5.426 -7.464 9.315 1.00 0.00 C ATOM 980 O TYR 1 71 -4.308 -7.363 9.818 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.015 -8.687 10.764 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.239 -9.553 10.746 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.370 -9.144 10.070 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.261 -10.774 11.397 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.502 -9.925 10.037 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.386 -11.569 11.372 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.509 -11.141 10.690 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.637 -11.929 10.663 1.00 0.00 O ATOM 0 H TYR 1 71 -4.573 -9.901 9.957 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.922 -8.777 8.603 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.362 -9.004 11.577 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.306 -7.658 10.972 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.367 -8.193 9.557 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.384 -11.108 11.932 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.379 -9.589 9.504 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.390 -12.521 11.882 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.474 -12.751 11.171 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.020 -6.485 8.642 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.384 -5.194 8.441 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.328 -4.423 9.755 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.033 -4.757 10.708 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.152 -4.387 7.395 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.223 -2.975 6.717 1.00 0.00 S ATOM 0 H CYS 1 72 -6.947 -6.565 8.225 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.367 -5.358 8.086 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.435 -5.049 6.576 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.076 -4.020 7.841 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.488 -3.396 9.805 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.348 -2.587 11.011 1.00 0.00 C ATOM 1010 C THR 1 73 -4.651 -1.115 10.730 1.00 0.00 C ATOM 1011 O THR 1 73 -4.394 -0.250 11.567 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.936 -2.731 11.581 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.030 -1.878 10.904 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.396 -4.142 11.485 1.00 0.00 C ATOM 0 H THR 1 73 -3.895 -3.104 9.028 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.070 -2.948 11.743 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.020 -2.460 12.633 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.133 -1.984 11.285 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.391 -4.177 11.906 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.046 -4.819 12.040 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.362 -4.448 10.439 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.201 -0.836 9.549 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.532 0.530 9.184 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.375 1.490 9.385 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.582 2.684 9.598 1.00 0.00 O ATOM 0 H GLY 1 74 -5.423 -1.534 8.839 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.843 0.557 8.140 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.382 0.864 9.778 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.154 0.968 9.324 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.966 1.794 9.508 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.893 1.491 8.460 1.00 0.00 C ATOM 1032 O LYS 1 75 0.210 2.035 8.526 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.392 1.586 10.910 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.364 1.941 12.024 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.681 2.724 13.134 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.658 3.091 14.239 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.937 3.624 13.695 1.00 0.00 N ATOM 0 H LYS 1 75 -2.962 -0.018 9.149 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.269 2.834 9.386 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.091 0.544 11.020 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.492 2.191 11.018 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.187 2.529 11.616 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.797 1.029 12.435 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.866 2.132 13.550 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.239 3.631 12.722 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.862 2.212 14.850 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.204 3.835 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.388 4.236 14.405 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.745 4.176 12.835 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.573 2.834 13.465 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.209 0.628 7.497 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.247 0.279 6.456 1.00 0.00 C ATOM 1053 C SER 1 76 -0.896 -0.532 5.337 1.00 0.00 C ATOM 1054 O SER 1 76 -2.052 -0.941 5.437 1.00 0.00 O ATOM 1055 CB SER 1 76 0.917 -0.510 7.058 1.00 0.00 C ATOM 1056 OG SER 1 76 1.907 -0.784 6.082 1.00 0.00 O ATOM 0 H SER 1 76 -2.113 0.163 7.416 1.00 0.00 H new ATOM 0 HA SER 1 76 0.125 1.209 6.026 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.358 0.056 7.879 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.547 -1.445 7.478 1.00 0.00 H new ATOM 0 HG SER 1 76 2.641 -1.288 6.493 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.128 -0.767 4.276 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.601 -1.537 3.128 1.00 0.00 C ATOM 1064 C SER 1 77 -0.337 -3.026 3.324 1.00 0.00 C ATOM 1065 O SER 1 77 -0.460 -3.815 2.387 1.00 0.00 O ATOM 1066 CB SER 1 77 0.094 -1.057 1.852 1.00 0.00 C ATOM 1067 OG SER 1 77 1.381 -1.635 1.721 1.00 0.00 O ATOM 0 H SER 1 77 0.832 -0.433 4.187 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.676 -1.384 3.037 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.514 -1.315 0.985 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.180 0.029 1.868 1.00 0.00 H new ATOM 0 HG SER 1 77 1.802 -1.313 0.897 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.028 -3.405 4.545 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.315 -4.799 4.851 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.735 -5.384 5.786 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.215 -4.713 6.700 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.703 -4.929 5.480 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.812 -4.547 4.519 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.301 -5.438 3.793 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.191 -3.357 4.493 1.00 0.00 O ATOM 0 H ASP 1 78 0.131 -2.768 5.335 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.291 -5.359 3.916 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.759 -4.295 6.365 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.853 -5.956 5.814 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.082 -6.640 5.547 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.072 -7.333 6.358 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.443 -8.546 7.049 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.230 -9.581 6.420 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.245 -7.772 5.480 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.849 -7.089 6.004 1.00 0.00 S ATOM 0 H CYS 1 79 -0.689 -7.203 4.793 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.438 -6.652 7.126 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.050 -7.469 4.451 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.304 -8.860 5.486 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.126 -8.430 8.352 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.510 -9.523 9.120 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.470 -10.683 9.388 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.638 -10.473 9.715 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.116 -8.847 10.435 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.069 -7.712 10.574 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.328 -7.224 9.177 1.00 0.00 C ATOM 0 HA PRO 1 80 0.323 -9.973 8.579 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.196 -9.537 11.275 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.916 -8.497 10.407 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.993 -8.034 11.054 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.647 -6.920 11.193 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.338 -6.828 9.070 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.641 -6.425 8.896 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.960 -11.907 9.255 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.760 -13.117 9.492 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.233 -13.191 10.936 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.137 -13.958 11.263 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.953 -14.391 9.210 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.229 -14.209 8.315 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.500 -13.869 8.682 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.249 -14.379 6.903 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.308 -13.815 7.573 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.560 -14.127 6.468 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.721 -14.722 5.967 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.925 -14.208 5.131 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.361 -14.804 4.635 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.955 -14.549 4.227 1.00 0.00 C ATOM 0 H TRP 1 81 0.006 -12.091 8.984 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.612 -13.054 8.815 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.610 -14.802 10.159 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.617 -15.131 8.763 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.822 -13.672 9.694 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.301 -13.581 7.572 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.737 -14.921 6.275 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.938 -14.009 4.815 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.105 -15.068 3.898 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.209 -14.623 3.180 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.577 -12.430 11.799 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.882 -12.440 13.225 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.379 -13.744 13.837 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.911 -14.227 14.836 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.386 -12.286 13.474 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.927 -10.967 12.959 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.326 -10.333 12.091 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -5.067 -10.546 13.493 1.00 0.00 N ATOM 0 H ASN 1 82 -0.825 -11.793 11.536 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.381 -11.594 13.694 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.917 -13.106 12.991 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.584 -12.364 14.543 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.479 -9.665 13.186 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -5.531 -11.104 14.210 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.350 -14.312 13.207 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.241 -15.566 13.654 1.00 0.00 C ATOM 1149 C HIS 1 83 1.517 -15.318 14.452 1.00 0.00 C ATOM 1150 O HIS 1 83 1.966 -14.154 14.501 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.541 -16.454 12.442 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.684 -16.816 11.663 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.967 -16.979 12.061 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.676 -17.035 10.302 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.703 -17.288 10.945 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.902 -17.314 9.897 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 2.056 -16.290 15.022 1.00 0.00 O ATOM 0 H HIS 1 83 0.092 -13.916 12.378 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.471 -16.070 14.307 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.242 -15.939 11.786 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.032 -17.366 12.780 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.321 -16.889 13.013 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.196 -16.986 9.667 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.766 -17.479 10.927 1.00 0.00 H new