USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot 180:sc= 0.0732 USER MOD Set 1.2: A 22 ASN : amide:sc= 0 K(o=0.073,f=-2!) USER MOD Set 2.1: A 4 HIS : no HE2:sc= -0.0953 K(o=-0.27,f=-1) USER MOD Set 2.2: A 61 ASN : amide:sc= -0.178 X(o=-0.27,f=-0.16) USER MOD Single : A 1 LEU N :NH3+ -112:sc= 0.549 (180deg=0.0221) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0748 F(o=-0.85,f=-0.075) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 10 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.0069) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0792) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.441 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 29:sc= 0.855 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0344) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00368 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.839 K(o=0.84,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.545 -11.348 6.858 1.00 0.00 N ATOM 2 CA LEU A 1 -7.066 -11.263 6.759 1.00 0.00 C ATOM 3 C LEU A 1 -6.842 -10.038 7.627 1.00 0.00 C ATOM 4 O LEU A 1 -7.820 -9.383 7.947 1.00 0.00 O ATOM 5 CB LEU A 1 -6.582 -10.957 5.324 1.00 0.00 C ATOM 6 CG LEU A 1 -5.169 -11.572 5.049 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.222 -13.122 4.834 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.541 -10.891 3.801 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.809 -12.198 7.397 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.910 -10.503 7.343 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.954 -11.402 5.903 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.548 -12.180 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.299 -11.354 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.545 -9.878 5.174 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.555 -11.389 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.216 -13.498 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.628 -13.599 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.859 -13.349 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.557 -11.319 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.183 -11.055 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -4.442 -9.821 3.982 1.00 0.00 H new ATOM 22 N GLU A 2 -5.625 -9.745 7.982 1.00 0.00 N ATOM 23 CA GLU A 2 -5.357 -8.553 8.834 1.00 0.00 C ATOM 24 C GLU A 2 -4.118 -7.967 8.191 1.00 0.00 C ATOM 25 O GLU A 2 -3.364 -8.799 7.722 1.00 0.00 O ATOM 26 CB GLU A 2 -4.951 -8.903 10.275 1.00 0.00 C ATOM 27 CG GLU A 2 -5.941 -9.856 10.975 1.00 0.00 C ATOM 28 CD GLU A 2 -5.614 -9.861 12.482 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.621 -10.470 12.848 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.392 -9.236 13.185 1.00 0.00 O ATOM 0 H GLU A 2 -4.799 -10.282 7.718 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.244 -7.923 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.962 -9.361 10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.870 -7.984 10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.967 -9.528 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.857 -10.862 10.564 1.00 0.00 H new ATOM 37 N CYS A 3 -3.936 -6.662 8.182 1.00 0.00 N ATOM 38 CA CYS A 3 -2.703 -6.075 7.559 1.00 0.00 C ATOM 39 C CYS A 3 -2.322 -4.777 8.278 1.00 0.00 C ATOM 40 O CYS A 3 -3.102 -4.262 9.066 1.00 0.00 O ATOM 41 CB CYS A 3 -2.884 -5.741 6.049 1.00 0.00 C ATOM 42 SG CYS A 3 -2.542 -7.136 4.939 1.00 0.00 S ATOM 0 H CYS A 3 -4.586 -5.983 8.578 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.925 -6.832 7.655 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.906 -5.400 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.225 -4.913 5.789 1.00 0.00 H new ATOM 47 N HIS A 4 -1.148 -4.276 7.977 1.00 0.00 N ATOM 48 CA HIS A 4 -0.638 -3.012 8.615 1.00 0.00 C ATOM 49 C HIS A 4 -0.793 -1.895 7.596 1.00 0.00 C ATOM 50 O HIS A 4 -0.840 -2.214 6.429 1.00 0.00 O ATOM 51 CB HIS A 4 0.852 -3.124 8.927 1.00 0.00 C ATOM 52 CG HIS A 4 1.171 -4.467 9.616 1.00 0.00 C ATOM 53 ND1 HIS A 4 0.796 -4.819 10.809 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.896 -5.565 9.149 1.00 0.00 C ATOM 55 CE1 HIS A 4 1.236 -6.010 11.066 1.00 0.00 C ATOM 56 NE2 HIS A 4 1.921 -6.511 10.068 1.00 0.00 N ATOM 0 H HIS A 4 -0.507 -4.695 7.304 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.192 -2.828 9.536 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.428 -3.038 8.006 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.156 -2.299 9.571 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.241 -4.246 11.445 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.367 -5.630 8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.059 -6.530 11.996 1.00 0.00 H new ATOM 64 N ASN A 5 -0.869 -0.640 7.975 1.00 0.00 N ATOM 65 CA ASN A 5 -1.019 0.433 6.926 1.00 0.00 C ATOM 66 C ASN A 5 -0.325 1.685 7.418 1.00 0.00 C ATOM 67 O ASN A 5 -0.918 2.726 7.581 1.00 0.00 O ATOM 68 CB ASN A 5 -2.508 0.835 6.621 1.00 0.00 C ATOM 69 CG ASN A 5 -3.410 1.115 7.844 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.543 0.221 8.792 1.00 0.00 O flip ATOM 71 ND2 ASN A 5 -4.027 2.156 7.952 1.00 0.00 N flip ATOM 0 H ASN A 5 -0.835 -0.313 8.940 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.589 0.023 6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.499 1.725 5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.964 0.036 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.946 2.874 7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.626 2.312 8.763 1.00 0.00 H new ATOM 78 N GLN A 6 0.946 1.539 7.634 1.00 0.00 N ATOM 79 CA GLN A 6 1.812 2.656 8.130 1.00 0.00 C ATOM 80 C GLN A 6 2.147 3.579 6.942 1.00 0.00 C ATOM 81 O GLN A 6 2.731 3.112 5.984 1.00 0.00 O ATOM 82 CB GLN A 6 3.063 1.953 8.759 1.00 0.00 C ATOM 83 CG GLN A 6 4.161 2.843 9.270 1.00 0.00 C ATOM 84 CD GLN A 6 4.871 1.937 10.283 1.00 0.00 C ATOM 85 OE1 GLN A 6 5.399 0.896 9.940 1.00 0.00 O ATOM 86 NE2 GLN A 6 4.897 2.281 11.540 1.00 0.00 N ATOM 0 H GLN A 6 1.445 0.662 7.484 1.00 0.00 H new ATOM 0 HA GLN A 6 1.344 3.293 8.880 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.721 1.329 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.489 1.286 8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.830 3.163 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.768 3.746 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.458 3.151 11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.357 1.680 12.224 1.00 0.00 H new ATOM 95 N GLN A 7 1.802 4.845 7.013 1.00 0.00 N ATOM 96 CA GLN A 7 2.094 5.789 5.880 1.00 0.00 C ATOM 97 C GLN A 7 3.388 6.576 6.120 1.00 0.00 C ATOM 98 O GLN A 7 3.597 7.032 7.222 1.00 0.00 O ATOM 99 CB GLN A 7 0.990 6.878 5.716 1.00 0.00 C ATOM 100 CG GLN A 7 -0.385 6.318 5.363 1.00 0.00 C ATOM 101 CD GLN A 7 -1.395 7.383 5.830 1.00 0.00 C ATOM 102 OE1 GLN A 7 -2.252 7.101 6.636 1.00 0.00 O ATOM 103 NE2 GLN A 7 -1.347 8.609 5.380 1.00 0.00 N ATOM 0 H GLN A 7 1.328 5.268 7.811 1.00 0.00 H new ATOM 0 HA GLN A 7 2.158 5.150 4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.913 7.445 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.297 7.578 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.472 6.138 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.561 5.365 5.862 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.635 8.875 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.021 9.300 5.709 1.00 0.00 H new ATOM 112 N SER A 8 4.151 6.718 5.067 1.00 0.00 N ATOM 113 CA SER A 8 5.447 7.442 5.043 1.00 0.00 C ATOM 114 C SER A 8 6.166 7.646 6.396 1.00 0.00 C ATOM 115 O SER A 8 7.114 6.919 6.620 1.00 0.00 O ATOM 116 CB SER A 8 5.154 8.810 4.316 1.00 0.00 C ATOM 117 OG SER A 8 6.373 9.515 4.121 1.00 0.00 O ATOM 0 H SER A 8 3.900 6.328 4.158 1.00 0.00 H new ATOM 0 HA SER A 8 6.170 6.818 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.670 8.628 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.466 9.410 4.911 1.00 0.00 H new ATOM 0 HG SER A 8 6.191 10.364 3.668 1.00 0.00 H new ATOM 123 N SER A 9 5.782 8.565 7.246 1.00 0.00 N ATOM 124 CA SER A 9 6.531 8.697 8.514 1.00 0.00 C ATOM 125 C SER A 9 5.634 8.692 9.755 1.00 0.00 C ATOM 126 O SER A 9 6.118 8.870 10.858 1.00 0.00 O ATOM 127 CB SER A 9 7.288 9.993 8.403 1.00 0.00 C ATOM 128 OG SER A 9 6.302 10.874 7.856 1.00 0.00 O ATOM 0 H SER A 9 5.003 9.210 7.116 1.00 0.00 H new ATOM 0 HA SER A 9 7.189 7.839 8.649 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.649 10.338 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.158 9.902 7.753 1.00 0.00 H new ATOM 0 HG SER A 9 6.689 11.767 7.739 1.00 0.00 H new ATOM 134 N GLN A 10 4.365 8.487 9.560 1.00 0.00 N ATOM 135 CA GLN A 10 3.447 8.495 10.731 1.00 0.00 C ATOM 136 C GLN A 10 3.592 7.218 11.575 1.00 0.00 C ATOM 137 O GLN A 10 4.035 6.220 11.052 1.00 0.00 O ATOM 138 CB GLN A 10 1.976 8.601 10.230 1.00 0.00 C ATOM 139 CG GLN A 10 1.498 10.042 9.889 1.00 0.00 C ATOM 140 CD GLN A 10 2.160 10.661 8.650 1.00 0.00 C ATOM 141 OE1 GLN A 10 2.457 11.837 8.656 1.00 0.00 O ATOM 142 NE2 GLN A 10 2.403 9.953 7.576 1.00 0.00 N ATOM 0 H GLN A 10 3.927 8.316 8.655 1.00 0.00 H new ATOM 0 HA GLN A 10 3.707 9.350 11.355 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.865 7.978 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.318 8.187 10.994 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.419 10.026 9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.690 10.686 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.160 8.963 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.835 10.392 6.763 1.00 0.00 H new ATOM 151 N PRO A 11 3.231 7.260 12.844 1.00 0.00 N ATOM 152 CA PRO A 11 3.333 6.060 13.724 1.00 0.00 C ATOM 153 C PRO A 11 2.391 4.943 13.207 1.00 0.00 C ATOM 154 O PRO A 11 1.532 5.229 12.402 1.00 0.00 O ATOM 155 CB PRO A 11 2.963 6.545 15.141 1.00 0.00 C ATOM 156 CG PRO A 11 2.429 8.016 15.007 1.00 0.00 C ATOM 157 CD PRO A 11 2.721 8.473 13.541 1.00 0.00 C ATOM 0 HA PRO A 11 4.333 5.625 13.729 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.204 5.899 15.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.832 6.510 15.798 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.361 8.060 15.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.924 8.673 15.722 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.819 8.852 13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.456 9.277 13.519 1.00 0.00 H new ATOM 165 N PRO A 12 2.552 3.723 13.676 1.00 0.00 N ATOM 166 CA PRO A 12 1.709 2.557 13.236 1.00 0.00 C ATOM 167 C PRO A 12 0.187 2.426 13.504 1.00 0.00 C ATOM 168 O PRO A 12 -0.291 2.869 14.531 1.00 0.00 O ATOM 169 CB PRO A 12 2.428 1.326 13.809 1.00 0.00 C ATOM 170 CG PRO A 12 3.373 1.842 14.956 1.00 0.00 C ATOM 171 CD PRO A 12 3.587 3.362 14.687 1.00 0.00 C ATOM 0 HA PRO A 12 1.649 2.700 12.157 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.709 0.604 14.196 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.003 0.819 13.034 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.923 1.679 15.935 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.323 1.307 14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.468 3.945 15.600 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.591 3.559 14.312 1.00 0.00 H new ATOM 179 N THR A 13 -0.482 1.807 12.549 1.00 0.00 N ATOM 180 CA THR A 13 -1.947 1.553 12.577 1.00 0.00 C ATOM 181 C THR A 13 -2.258 0.126 11.926 1.00 0.00 C ATOM 182 O THR A 13 -1.468 -0.317 11.096 1.00 0.00 O ATOM 183 CB THR A 13 -2.417 2.741 11.814 1.00 0.00 C ATOM 184 OG1 THR A 13 -1.134 3.063 11.245 1.00 0.00 O ATOM 185 CG2 THR A 13 -2.874 3.913 12.733 1.00 0.00 C ATOM 0 H THR A 13 -0.031 1.452 11.706 1.00 0.00 H new ATOM 0 HA THR A 13 -2.438 1.474 13.547 1.00 0.00 H new ATOM 0 HB THR A 13 -3.269 2.575 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.219 3.856 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.205 4.750 12.118 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.697 3.580 13.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.040 4.231 13.359 1.00 0.00 H new ATOM 193 N THR A 14 -3.340 -0.545 12.269 1.00 0.00 N ATOM 194 CA THR A 14 -3.656 -1.874 11.669 1.00 0.00 C ATOM 195 C THR A 14 -5.153 -1.881 11.189 1.00 0.00 C ATOM 196 O THR A 14 -5.882 -1.023 11.652 1.00 0.00 O ATOM 197 CB THR A 14 -3.338 -2.809 12.802 1.00 0.00 C ATOM 198 OG1 THR A 14 -3.155 -1.849 13.851 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.955 -3.482 12.598 1.00 0.00 C ATOM 0 H THR A 14 -4.023 -0.216 12.951 1.00 0.00 H new ATOM 0 HA THR A 14 -3.100 -2.152 10.774 1.00 0.00 H new ATOM 0 HB THR A 14 -4.079 -3.596 12.943 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.936 -2.314 14.685 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.750 -4.153 13.432 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.961 -4.050 11.668 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.181 -2.716 12.550 1.00 0.00 H new ATOM 207 N LYS A 15 -5.566 -2.790 10.322 1.00 0.00 N ATOM 208 CA LYS A 15 -6.990 -2.848 9.829 1.00 0.00 C ATOM 209 C LYS A 15 -7.346 -4.338 9.684 1.00 0.00 C ATOM 210 O LYS A 15 -6.414 -5.120 9.562 1.00 0.00 O ATOM 211 CB LYS A 15 -7.141 -2.201 8.434 1.00 0.00 C ATOM 212 CG LYS A 15 -7.364 -0.665 8.534 1.00 0.00 C ATOM 213 CD LYS A 15 -8.863 -0.387 8.244 1.00 0.00 C ATOM 214 CE LYS A 15 -9.232 1.064 8.595 1.00 0.00 C ATOM 215 NZ LYS A 15 -8.415 2.032 7.811 1.00 0.00 N ATOM 0 H LYS A 15 -4.960 -3.510 9.928 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.633 -2.314 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.248 -2.401 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.981 -2.657 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.093 -0.303 9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.732 -0.139 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.075 -0.575 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.482 -1.073 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.290 1.231 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.078 1.234 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.754 2.999 7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.418 1.956 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.502 1.819 6.797 1.00 0.00 H new ATOM 229 N THR A 16 -8.614 -4.689 9.688 1.00 0.00 N ATOM 230 CA THR A 16 -9.016 -6.107 9.547 1.00 0.00 C ATOM 231 C THR A 16 -10.014 -6.166 8.352 1.00 0.00 C ATOM 232 O THR A 16 -10.914 -5.343 8.360 1.00 0.00 O ATOM 233 CB THR A 16 -9.633 -6.469 10.910 1.00 0.00 C ATOM 234 OG1 THR A 16 -10.507 -5.373 11.190 1.00 0.00 O ATOM 235 CG2 THR A 16 -8.590 -6.393 12.057 1.00 0.00 C ATOM 0 H THR A 16 -9.390 -4.034 9.785 1.00 0.00 H new ATOM 0 HA THR A 16 -8.218 -6.816 9.326 1.00 0.00 H new ATOM 0 HB THR A 16 -10.071 -7.466 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.967 -5.103 10.368 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.067 -6.656 13.001 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.776 -7.090 11.856 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.193 -5.380 12.121 1.00 0.00 H new ATOM 243 N CYS A 17 -9.877 -7.072 7.411 1.00 0.00 N ATOM 244 CA CYS A 17 -10.840 -7.118 6.266 1.00 0.00 C ATOM 245 C CYS A 17 -11.281 -8.582 5.964 1.00 0.00 C ATOM 246 O CYS A 17 -11.008 -9.076 4.888 1.00 0.00 O ATOM 247 CB CYS A 17 -10.143 -6.478 4.999 1.00 0.00 C ATOM 248 SG CYS A 17 -9.637 -4.725 5.071 1.00 0.00 S ATOM 0 H CYS A 17 -9.142 -7.779 7.387 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.737 -6.554 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.255 -7.070 4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.823 -6.592 4.155 1.00 0.00 H new ATOM 253 N PRO A 18 -11.940 -9.277 6.861 1.00 0.00 N ATOM 254 CA PRO A 18 -12.369 -10.679 6.608 1.00 0.00 C ATOM 255 C PRO A 18 -13.382 -10.835 5.486 1.00 0.00 C ATOM 256 O PRO A 18 -14.570 -10.710 5.712 1.00 0.00 O ATOM 257 CB PRO A 18 -12.933 -11.185 7.931 1.00 0.00 C ATOM 258 CG PRO A 18 -13.414 -9.883 8.641 1.00 0.00 C ATOM 259 CD PRO A 18 -12.364 -8.804 8.206 1.00 0.00 C ATOM 0 HA PRO A 18 -11.513 -11.260 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.754 -11.885 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.176 -11.706 8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.422 -9.608 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.437 -10.004 9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.803 -7.807 8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.525 -8.754 8.900 1.00 0.00 H new ATOM 267 N GLY A 19 -12.909 -11.108 4.319 1.00 0.00 N ATOM 268 CA GLY A 19 -13.837 -11.267 3.211 1.00 0.00 C ATOM 269 C GLY A 19 -12.881 -11.229 2.046 1.00 0.00 C ATOM 270 O GLY A 19 -13.062 -11.926 1.070 1.00 0.00 O ATOM 0 H GLY A 19 -11.921 -11.226 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.389 -12.205 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.574 -10.465 3.169 1.00 0.00 H new ATOM 274 N GLU A 20 -11.859 -10.425 2.165 1.00 0.00 N ATOM 275 CA GLU A 20 -10.894 -10.350 1.035 1.00 0.00 C ATOM 276 C GLU A 20 -9.750 -11.269 1.388 1.00 0.00 C ATOM 277 O GLU A 20 -9.602 -11.596 2.550 1.00 0.00 O ATOM 278 CB GLU A 20 -10.361 -8.925 0.896 1.00 0.00 C ATOM 279 CG GLU A 20 -11.505 -7.994 0.448 1.00 0.00 C ATOM 280 CD GLU A 20 -11.214 -6.554 0.890 1.00 0.00 C ATOM 281 OE1 GLU A 20 -10.141 -6.062 0.572 1.00 0.00 O ATOM 282 OE2 GLU A 20 -12.107 -6.027 1.533 1.00 0.00 O ATOM 0 H GLU A 20 -11.655 -9.834 2.971 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.370 -10.634 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.950 -8.584 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.549 -8.898 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.615 -8.035 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.448 -8.331 0.877 1.00 0.00 H new ATOM 289 N THR A 21 -8.993 -11.636 0.394 1.00 0.00 N ATOM 290 CA THR A 21 -7.853 -12.529 0.603 1.00 0.00 C ATOM 291 C THR A 21 -6.493 -11.829 0.330 1.00 0.00 C ATOM 292 O THR A 21 -5.461 -12.350 0.698 1.00 0.00 O ATOM 293 CB THR A 21 -8.095 -13.666 -0.366 1.00 0.00 C ATOM 294 OG1 THR A 21 -8.301 -12.903 -1.562 1.00 0.00 O ATOM 295 CG2 THR A 21 -9.467 -14.382 -0.172 1.00 0.00 C ATOM 0 H THR A 21 -9.131 -11.340 -0.572 1.00 0.00 H new ATOM 0 HA THR A 21 -7.784 -12.863 1.638 1.00 0.00 H new ATOM 0 HB THR A 21 -7.308 -14.417 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.475 -13.510 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.565 -15.184 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.521 -14.799 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.275 -13.664 -0.310 1.00 0.00 H new ATOM 303 N ASN A 22 -6.524 -10.678 -0.299 1.00 0.00 N ATOM 304 CA ASN A 22 -5.228 -9.973 -0.631 1.00 0.00 C ATOM 305 C ASN A 22 -5.027 -8.581 -0.060 1.00 0.00 C ATOM 306 O ASN A 22 -6.020 -7.982 0.313 1.00 0.00 O ATOM 307 CB ASN A 22 -5.103 -9.781 -2.133 1.00 0.00 C ATOM 308 CG ASN A 22 -5.892 -10.881 -2.877 1.00 0.00 C ATOM 309 OD1 ASN A 22 -5.486 -12.024 -2.939 1.00 0.00 O ATOM 310 ND2 ASN A 22 -7.040 -10.617 -3.457 1.00 0.00 N ATOM 0 H ASN A 22 -7.373 -10.196 -0.596 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.490 -10.636 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.481 -8.798 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.054 -9.815 -2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.553 -11.358 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.419 -9.671 -3.430 1.00 0.00 H new ATOM 317 N CYS A 23 -3.786 -8.116 -0.031 1.00 0.00 N ATOM 318 CA CYS A 23 -3.452 -6.736 0.499 1.00 0.00 C ATOM 319 C CYS A 23 -2.523 -6.078 -0.545 1.00 0.00 C ATOM 320 O CYS A 23 -1.888 -6.838 -1.267 1.00 0.00 O ATOM 321 CB CYS A 23 -2.708 -6.793 1.862 1.00 0.00 C ATOM 322 SG CYS A 23 -3.756 -7.023 3.327 1.00 0.00 S ATOM 0 H CYS A 23 -2.977 -8.644 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.374 -6.177 0.658 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.984 -7.607 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.143 -5.869 1.985 1.00 0.00 H new ATOM 327 N TYR A 24 -2.449 -4.747 -0.571 1.00 0.00 N ATOM 328 CA TYR A 24 -1.577 -4.021 -1.584 1.00 0.00 C ATOM 329 C TYR A 24 -0.468 -3.049 -1.121 1.00 0.00 C ATOM 330 O TYR A 24 -0.457 -2.617 0.021 1.00 0.00 O ATOM 331 CB TYR A 24 -2.454 -3.163 -2.596 1.00 0.00 C ATOM 332 CG TYR A 24 -3.246 -1.893 -2.097 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.612 -0.665 -1.952 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.610 -1.933 -1.822 1.00 0.00 C ATOM 335 CE1 TYR A 24 -3.301 0.467 -1.556 1.00 0.00 C ATOM 336 CE2 TYR A 24 -5.302 -0.804 -1.424 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.658 0.413 -1.288 1.00 0.00 C ATOM 338 OH TYR A 24 -5.375 1.531 -0.904 1.00 0.00 O ATOM 0 H TYR A 24 -2.956 -4.134 0.067 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.065 -4.890 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.791 -2.834 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.182 -3.840 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.553 -0.593 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.141 -2.868 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.774 1.404 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.360 -0.873 -1.216 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.313 1.286 -0.764 1.00 0.00 H new ATOM 348 N LYS A 25 0.421 -2.734 -2.052 1.00 0.00 N ATOM 349 CA LYS A 25 1.604 -1.804 -1.870 1.00 0.00 C ATOM 350 C LYS A 25 1.615 -0.873 -3.119 1.00 0.00 C ATOM 351 O LYS A 25 1.451 -1.452 -4.180 1.00 0.00 O ATOM 352 CB LYS A 25 2.991 -2.546 -1.912 1.00 0.00 C ATOM 353 CG LYS A 25 3.591 -3.063 -0.551 1.00 0.00 C ATOM 354 CD LYS A 25 4.724 -4.125 -0.837 1.00 0.00 C ATOM 355 CE LYS A 25 5.957 -3.968 0.094 1.00 0.00 C ATOM 356 NZ LYS A 25 6.877 -2.911 -0.424 1.00 0.00 N ATOM 0 H LYS A 25 0.367 -3.114 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 25 1.494 -1.308 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.893 -3.401 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.718 -1.871 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.998 -2.228 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.805 -3.511 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.312 -5.127 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.046 -4.033 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.629 -3.710 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.488 -4.917 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.695 -2.821 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.205 -3.172 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.372 -2.003 -0.469 1.00 0.00 H new ATOM 370 N LYS A 26 1.782 0.442 -3.049 1.00 0.00 N ATOM 371 CA LYS A 26 1.796 1.253 -4.329 1.00 0.00 C ATOM 372 C LYS A 26 2.903 2.326 -4.227 1.00 0.00 C ATOM 373 O LYS A 26 3.225 2.685 -3.101 1.00 0.00 O ATOM 374 CB LYS A 26 0.431 1.999 -4.617 1.00 0.00 C ATOM 375 CG LYS A 26 -0.202 2.733 -3.403 1.00 0.00 C ATOM 376 CD LYS A 26 -1.419 3.631 -3.858 1.00 0.00 C ATOM 377 CE LYS A 26 -2.519 2.813 -4.580 1.00 0.00 C ATOM 378 NZ LYS A 26 -3.735 3.656 -4.801 1.00 0.00 N ATOM 0 H LYS A 26 1.906 0.975 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 26 1.970 0.549 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.596 2.726 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.288 1.271 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.539 2.003 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.550 3.353 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.850 4.124 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.059 4.416 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.142 2.449 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.779 1.937 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.464 3.094 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.102 3.982 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.486 4.478 -5.387 1.00 0.00 H new ATOM 392 N VAL A 27 3.413 2.789 -5.360 1.00 0.00 N ATOM 393 CA VAL A 27 4.506 3.830 -5.399 1.00 0.00 C ATOM 394 C VAL A 27 4.185 4.895 -6.488 1.00 0.00 C ATOM 395 O VAL A 27 3.572 4.494 -7.468 1.00 0.00 O ATOM 396 CB VAL A 27 5.853 3.171 -5.811 1.00 0.00 C ATOM 397 CG1 VAL A 27 7.117 4.000 -5.445 1.00 0.00 C ATOM 398 CG2 VAL A 27 5.946 1.689 -5.353 1.00 0.00 C ATOM 0 H VAL A 27 3.106 2.478 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 27 4.573 4.282 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 27 5.844 3.167 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.010 3.465 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.074 4.969 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.155 4.148 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.904 1.272 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.863 1.638 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.137 1.117 -5.807 1.00 0.00 H new ATOM 408 N TRP A 28 4.562 6.157 -6.335 1.00 0.00 N ATOM 409 CA TRP A 28 4.250 7.125 -7.439 1.00 0.00 C ATOM 410 C TRP A 28 5.386 8.173 -7.376 1.00 0.00 C ATOM 411 O TRP A 28 5.957 8.346 -6.311 1.00 0.00 O ATOM 412 CB TRP A 28 2.786 7.746 -7.258 1.00 0.00 C ATOM 413 CG TRP A 28 2.409 8.831 -6.243 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.683 10.154 -6.375 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.696 8.643 -5.108 1.00 0.00 C ATOM 416 NE1 TRP A 28 2.108 10.673 -5.310 1.00 0.00 N ATOM 417 CE2 TRP A 28 1.486 9.851 -4.480 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.194 7.486 -4.553 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.769 9.899 -3.296 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.480 7.530 -3.373 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.269 8.741 -2.747 1.00 0.00 C ATOM 0 H TRP A 28 5.052 6.540 -5.526 1.00 0.00 H new ATOM 0 HA TRP A 28 4.219 6.659 -8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.505 8.140 -8.235 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.127 6.903 -7.053 1.00 0.00 H new ATOM 0 HD1 TRP A 28 3.234 10.655 -7.157 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.141 11.677 -5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.360 6.539 -5.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.602 10.846 -2.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.088 6.621 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.290 8.780 -1.824 1.00 0.00 H new ATOM 432 N ARG A 29 5.698 8.847 -8.468 1.00 0.00 N ATOM 433 CA ARG A 29 6.813 9.867 -8.480 1.00 0.00 C ATOM 434 C ARG A 29 6.257 11.278 -8.642 1.00 0.00 C ATOM 435 O ARG A 29 5.166 11.405 -9.161 1.00 0.00 O ATOM 436 CB ARG A 29 7.790 9.597 -9.673 1.00 0.00 C ATOM 437 CG ARG A 29 8.463 8.178 -9.552 1.00 0.00 C ATOM 438 CD ARG A 29 9.389 7.829 -10.777 1.00 0.00 C ATOM 439 NE ARG A 29 10.253 6.673 -10.366 1.00 0.00 N ATOM 440 CZ ARG A 29 10.979 5.985 -11.215 1.00 0.00 C ATOM 441 NH1 ARG A 29 10.988 6.280 -12.487 1.00 0.00 N ATOM 442 NH2 ARG A 29 11.695 4.999 -10.742 1.00 0.00 N ATOM 0 H ARG A 29 5.222 8.733 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 29 7.341 9.781 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.245 9.664 -10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.561 10.367 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.052 8.138 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.685 7.419 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.790 7.570 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.001 8.688 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 29 10.277 6.410 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.425 7.056 -12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.558 5.734 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.676 4.788 -9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.273 4.441 -11.371 1.00 0.00 H new ATOM 456 N ASP A 30 6.991 12.284 -8.222 1.00 0.00 N ATOM 457 CA ASP A 30 6.507 13.690 -8.343 1.00 0.00 C ATOM 458 C ASP A 30 7.796 14.443 -8.625 1.00 0.00 C ATOM 459 O ASP A 30 8.810 13.807 -8.795 1.00 0.00 O ATOM 460 CB ASP A 30 5.887 14.169 -7.007 1.00 0.00 C ATOM 461 CG ASP A 30 4.982 15.405 -7.174 1.00 0.00 C ATOM 462 OD1 ASP A 30 3.817 15.167 -7.448 1.00 0.00 O ATOM 463 OD2 ASP A 30 5.488 16.505 -7.022 1.00 0.00 O ATOM 0 H ASP A 30 7.913 12.185 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 30 5.735 13.827 -9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.307 13.357 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.687 14.403 -6.305 1.00 0.00 H new ATOM 468 N HIS A 31 7.705 15.746 -8.646 1.00 0.00 N ATOM 469 CA HIS A 31 8.865 16.657 -8.912 1.00 0.00 C ATOM 470 C HIS A 31 9.906 16.660 -7.819 1.00 0.00 C ATOM 471 O HIS A 31 11.084 16.686 -8.095 1.00 0.00 O ATOM 472 CB HIS A 31 8.335 18.116 -9.103 1.00 0.00 C ATOM 473 CG HIS A 31 9.433 19.212 -9.111 1.00 0.00 C ATOM 474 ND1 HIS A 31 9.741 20.002 -8.122 1.00 0.00 N ATOM 475 CD2 HIS A 31 10.299 19.601 -10.128 1.00 0.00 C ATOM 476 CE1 HIS A 31 10.695 20.800 -8.483 1.00 0.00 C ATOM 477 NE2 HIS A 31 11.072 20.588 -9.718 1.00 0.00 N ATOM 0 H HIS A 31 6.829 16.242 -8.481 1.00 0.00 H new ATOM 0 HA HIS A 31 9.353 16.280 -9.811 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.784 18.167 -10.042 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.626 18.337 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.333 19.158 -11.112 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.128 21.552 -7.840 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.798 21.075 -10.244 1.00 0.00 H new ATOM 485 N ARG A 32 9.469 16.633 -6.597 1.00 0.00 N ATOM 486 CA ARG A 32 10.493 16.651 -5.524 1.00 0.00 C ATOM 487 C ARG A 32 11.094 15.302 -5.206 1.00 0.00 C ATOM 488 O ARG A 32 12.224 15.242 -4.772 1.00 0.00 O ATOM 489 CB ARG A 32 9.920 17.190 -4.182 1.00 0.00 C ATOM 490 CG ARG A 32 8.422 16.781 -3.994 1.00 0.00 C ATOM 491 CD ARG A 32 8.022 16.807 -2.486 1.00 0.00 C ATOM 492 NE ARG A 32 8.303 18.149 -1.890 1.00 0.00 N ATOM 493 CZ ARG A 32 7.870 18.446 -0.689 1.00 0.00 C ATOM 494 NH1 ARG A 32 7.188 17.567 -0.001 1.00 0.00 N ATOM 495 NH2 ARG A 32 8.137 19.628 -0.204 1.00 0.00 N ATOM 0 H ARG A 32 8.493 16.601 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 32 11.265 17.303 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.511 16.804 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.008 18.276 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.782 17.461 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.260 15.783 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.963 16.571 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.575 16.040 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 32 8.835 18.838 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.992 16.648 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.852 17.800 0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.672 20.297 -0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.811 19.882 0.728 1.00 0.00 H new ATOM 509 N GLY A 33 10.384 14.233 -5.398 1.00 0.00 N ATOM 510 CA GLY A 33 11.024 12.952 -5.053 1.00 0.00 C ATOM 511 C GLY A 33 9.914 11.924 -5.256 1.00 0.00 C ATOM 512 O GLY A 33 9.164 12.102 -6.199 1.00 0.00 O ATOM 0 H GLY A 33 9.432 14.191 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.881 12.747 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.388 12.950 -4.025 1.00 0.00 H new ATOM 516 N THR A 34 9.776 10.908 -4.436 1.00 0.00 N ATOM 517 CA THR A 34 8.695 9.925 -4.672 1.00 0.00 C ATOM 518 C THR A 34 7.934 9.773 -3.329 1.00 0.00 C ATOM 519 O THR A 34 8.432 10.293 -2.345 1.00 0.00 O ATOM 520 CB THR A 34 9.475 8.669 -5.189 1.00 0.00 C ATOM 521 OG1 THR A 34 8.587 7.591 -5.470 1.00 0.00 O ATOM 522 CG2 THR A 34 10.496 8.149 -4.127 1.00 0.00 C ATOM 0 H THR A 34 10.365 10.726 -3.623 1.00 0.00 H new ATOM 0 HA THR A 34 7.922 10.172 -5.400 1.00 0.00 H new ATOM 0 HB THR A 34 9.995 8.989 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.712 7.947 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.018 7.277 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.218 8.934 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.965 7.873 -3.216 1.00 0.00 H new ATOM 530 N ILE A 35 6.802 9.089 -3.333 1.00 0.00 N ATOM 531 CA ILE A 35 5.986 8.875 -2.103 1.00 0.00 C ATOM 532 C ILE A 35 5.609 7.363 -2.222 1.00 0.00 C ATOM 533 O ILE A 35 5.604 6.877 -3.346 1.00 0.00 O ATOM 534 CB ILE A 35 4.730 9.797 -2.158 1.00 0.00 C ATOM 535 CG1 ILE A 35 5.184 11.216 -2.632 1.00 0.00 C ATOM 536 CG2 ILE A 35 4.087 9.933 -0.759 1.00 0.00 C ATOM 537 CD1 ILE A 35 4.074 12.255 -2.387 1.00 0.00 C ATOM 0 H ILE A 35 6.407 8.661 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 35 6.487 9.108 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 35 4.000 9.363 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.088 11.510 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.434 11.187 -3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.213 10.581 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.785 8.949 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.810 10.365 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.412 13.235 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.180 11.969 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.844 12.297 -1.322 1.00 0.00 H new ATOM 549 N ILE A 36 5.307 6.716 -1.102 1.00 0.00 N ATOM 550 CA ILE A 36 4.936 5.254 -1.022 1.00 0.00 C ATOM 551 C ILE A 36 3.759 5.018 -0.016 1.00 0.00 C ATOM 552 O ILE A 36 3.782 5.738 0.970 1.00 0.00 O ATOM 553 CB ILE A 36 6.182 4.484 -0.495 1.00 0.00 C ATOM 554 CG1 ILE A 36 7.407 4.587 -1.437 1.00 0.00 C ATOM 555 CG2 ILE A 36 5.903 3.010 -0.125 1.00 0.00 C ATOM 556 CD1 ILE A 36 8.682 4.244 -0.641 1.00 0.00 C ATOM 0 H ILE A 36 5.305 7.176 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 36 4.623 4.911 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 36 6.431 4.999 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.293 3.904 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.480 5.593 -1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.821 2.545 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.146 2.968 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.545 2.476 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.550 4.314 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.794 4.945 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.604 3.230 -0.249 1.00 0.00 H new ATOM 568 N GLU A 37 2.793 4.122 -0.203 1.00 0.00 N ATOM 569 CA GLU A 37 1.750 3.988 0.886 1.00 0.00 C ATOM 570 C GLU A 37 1.223 2.520 0.809 1.00 0.00 C ATOM 571 O GLU A 37 1.532 1.877 -0.182 1.00 0.00 O ATOM 572 CB GLU A 37 0.585 5.080 0.735 1.00 0.00 C ATOM 573 CG GLU A 37 -0.701 4.798 -0.037 1.00 0.00 C ATOM 574 CD GLU A 37 -1.585 6.059 0.161 1.00 0.00 C ATOM 575 OE1 GLU A 37 -1.843 6.395 1.309 1.00 0.00 O ATOM 576 OE2 GLU A 37 -1.956 6.625 -0.853 1.00 0.00 O ATOM 0 H GLU A 37 2.685 3.512 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 37 2.177 4.183 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.288 5.363 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.038 5.960 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.495 4.624 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.199 3.905 0.342 1.00 0.00 H new ATOM 583 N ARG A 38 0.467 2.038 1.793 1.00 0.00 N ATOM 584 CA ARG A 38 -0.092 0.610 1.854 1.00 0.00 C ATOM 585 C ARG A 38 -1.645 0.436 2.000 1.00 0.00 C ATOM 586 O ARG A 38 -2.274 1.407 2.368 1.00 0.00 O ATOM 587 CB ARG A 38 0.575 -0.094 3.060 1.00 0.00 C ATOM 588 CG ARG A 38 2.061 -0.414 2.765 1.00 0.00 C ATOM 589 CD ARG A 38 3.006 -0.364 4.007 1.00 0.00 C ATOM 590 NE ARG A 38 4.201 -1.204 3.667 1.00 0.00 N ATOM 591 CZ ARG A 38 5.285 -1.233 4.401 1.00 0.00 C ATOM 592 NH1 ARG A 38 5.377 -0.514 5.486 1.00 0.00 N ATOM 593 NH2 ARG A 38 6.262 -2.008 4.010 1.00 0.00 N ATOM 0 H ARG A 38 0.199 2.602 2.599 1.00 0.00 H new ATOM 0 HA ARG A 38 0.136 0.182 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.505 0.543 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.040 -1.015 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.122 -1.408 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.428 0.291 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.303 0.661 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.502 -0.748 4.894 1.00 0.00 H new ATOM 0 HE ARG A 38 4.168 -1.779 2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.599 0.080 5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.227 -0.546 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.164 -2.563 3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.123 -2.058 4.555 1.00 0.00 H new ATOM 607 N GLY A 39 -2.241 -0.728 1.745 1.00 0.00 N ATOM 608 CA GLY A 39 -3.746 -0.846 1.903 1.00 0.00 C ATOM 609 C GLY A 39 -4.330 -2.317 1.827 1.00 0.00 C ATOM 610 O GLY A 39 -3.543 -3.240 1.706 1.00 0.00 O ATOM 0 H GLY A 39 -1.764 -1.577 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.028 -0.412 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.223 -0.245 1.129 1.00 0.00 H new ATOM 614 N CYS A 40 -5.653 -2.491 1.884 1.00 0.00 N ATOM 615 CA CYS A 40 -6.341 -3.854 1.828 1.00 0.00 C ATOM 616 C CYS A 40 -6.960 -4.020 0.427 1.00 0.00 C ATOM 617 O CYS A 40 -7.470 -3.049 -0.093 1.00 0.00 O ATOM 618 CB CYS A 40 -7.640 -4.055 2.765 1.00 0.00 C ATOM 619 SG CYS A 40 -7.696 -4.386 4.558 1.00 0.00 S ATOM 0 H CYS A 40 -6.307 -1.713 1.970 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.552 -4.542 2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.233 -3.151 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.195 -4.874 2.308 1.00 0.00 H new ATOM 624 N GLY A 41 -6.939 -5.179 -0.181 1.00 0.00 N ATOM 625 CA GLY A 41 -7.575 -5.268 -1.532 1.00 0.00 C ATOM 626 C GLY A 41 -6.492 -5.213 -2.599 1.00 0.00 C ATOM 627 O GLY A 41 -5.348 -5.200 -2.200 1.00 0.00 O ATOM 0 H GLY A 41 -6.526 -6.038 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.142 -6.195 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.280 -4.448 -1.670 1.00 0.00 H new ATOM 631 N CYS A 42 -6.838 -5.195 -3.877 1.00 0.00 N ATOM 632 CA CYS A 42 -5.803 -5.135 -4.972 1.00 0.00 C ATOM 633 C CYS A 42 -6.415 -4.508 -6.281 1.00 0.00 C ATOM 634 O CYS A 42 -6.380 -5.157 -7.300 1.00 0.00 O ATOM 635 CB CYS A 42 -5.272 -6.588 -5.295 1.00 0.00 C ATOM 636 SG CYS A 42 -3.713 -6.797 -6.202 1.00 0.00 S ATOM 0 H CYS A 42 -7.803 -5.220 -4.208 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.979 -4.510 -4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.170 -7.115 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.049 -7.100 -5.862 1.00 0.00 H new ATOM 641 N PRO A 43 -6.980 -3.319 -6.270 1.00 0.00 N ATOM 642 CA PRO A 43 -7.581 -2.667 -7.505 1.00 0.00 C ATOM 643 C PRO A 43 -6.663 -2.203 -8.706 1.00 0.00 C ATOM 644 O PRO A 43 -5.459 -2.133 -8.573 1.00 0.00 O ATOM 645 CB PRO A 43 -8.377 -1.487 -6.941 1.00 0.00 C ATOM 646 CG PRO A 43 -7.683 -1.155 -5.558 1.00 0.00 C ATOM 647 CD PRO A 43 -7.118 -2.496 -5.042 1.00 0.00 C ATOM 0 HA PRO A 43 -8.141 -3.447 -8.022 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.346 -0.631 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.427 -1.747 -6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.889 -0.419 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.399 -0.734 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.159 -2.360 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.790 -2.962 -4.321 1.00 0.00 H new ATOM 655 N THR A 44 -7.264 -1.870 -9.829 1.00 0.00 N ATOM 656 CA THR A 44 -6.506 -1.429 -11.045 1.00 0.00 C ATOM 657 C THR A 44 -6.087 0.086 -11.080 1.00 0.00 C ATOM 658 O THR A 44 -6.774 0.877 -10.464 1.00 0.00 O ATOM 659 CB THR A 44 -7.451 -1.795 -12.200 1.00 0.00 C ATOM 660 OG1 THR A 44 -8.730 -1.576 -11.591 1.00 0.00 O ATOM 661 CG2 THR A 44 -7.474 -3.304 -12.574 1.00 0.00 C ATOM 0 H THR A 44 -8.276 -1.887 -9.953 1.00 0.00 H new ATOM 0 HA THR A 44 -5.534 -1.920 -11.087 1.00 0.00 H new ATOM 0 HB THR A 44 -7.172 -1.240 -13.096 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.439 -1.776 -12.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.169 -3.464 -13.398 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.475 -3.619 -12.875 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.794 -3.888 -11.711 1.00 0.00 H new ATOM 669 N VAL A 45 -5.026 0.459 -11.778 1.00 0.00 N ATOM 670 CA VAL A 45 -4.601 1.888 -11.839 1.00 0.00 C ATOM 671 C VAL A 45 -4.150 2.229 -13.289 1.00 0.00 C ATOM 672 O VAL A 45 -4.056 1.319 -14.090 1.00 0.00 O ATOM 673 CB VAL A 45 -3.461 2.089 -10.818 1.00 0.00 C ATOM 674 CG1 VAL A 45 -4.111 2.452 -9.455 1.00 0.00 C ATOM 675 CG2 VAL A 45 -2.696 0.748 -10.616 1.00 0.00 C ATOM 0 H VAL A 45 -4.437 -0.182 -12.310 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.422 2.559 -11.586 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.780 2.864 -11.172 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.331 2.601 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.692 3.368 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.767 1.641 -9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.892 0.893 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.384 -0.011 -10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.276 0.422 -11.567 1.00 0.00 H new ATOM 685 N LYS A 46 -3.876 3.491 -13.549 1.00 0.00 N ATOM 686 CA LYS A 46 -3.441 3.989 -14.905 1.00 0.00 C ATOM 687 C LYS A 46 -1.911 3.939 -14.988 1.00 0.00 C ATOM 688 O LYS A 46 -1.275 4.048 -13.960 1.00 0.00 O ATOM 689 CB LYS A 46 -3.837 5.488 -15.124 1.00 0.00 C ATOM 690 CG LYS A 46 -5.377 5.791 -15.249 1.00 0.00 C ATOM 691 CD LYS A 46 -5.647 7.287 -14.851 1.00 0.00 C ATOM 692 CE LYS A 46 -6.814 7.919 -15.657 1.00 0.00 C ATOM 693 NZ LYS A 46 -8.053 7.096 -15.583 1.00 0.00 N ATOM 0 H LYS A 46 -3.939 4.228 -12.847 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.925 3.359 -15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.440 6.072 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.344 5.844 -16.029 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.713 5.608 -16.269 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.944 5.122 -14.602 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.875 7.340 -13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.741 7.871 -15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.019 8.919 -15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.515 8.032 -16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.842 7.616 -16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.906 6.201 -16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.278 6.895 -14.588 1.00 0.00 H new ATOM 707 N PRO A 47 -1.355 3.793 -16.172 1.00 0.00 N ATOM 708 CA PRO A 47 0.111 3.737 -16.350 1.00 0.00 C ATOM 709 C PRO A 47 0.615 5.109 -15.990 1.00 0.00 C ATOM 710 O PRO A 47 0.638 5.998 -16.819 1.00 0.00 O ATOM 711 CB PRO A 47 0.356 3.386 -17.814 1.00 0.00 C ATOM 712 CG PRO A 47 -0.926 3.894 -18.537 1.00 0.00 C ATOM 713 CD PRO A 47 -2.063 3.669 -17.482 1.00 0.00 C ATOM 0 HA PRO A 47 0.622 2.998 -15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.252 3.874 -18.198 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.494 2.313 -17.951 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.839 4.945 -18.814 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.115 3.337 -19.455 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.855 4.411 -17.582 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.528 2.690 -17.596 1.00 0.00 H new ATOM 721 N GLY A 48 1.000 5.242 -14.774 1.00 0.00 N ATOM 722 CA GLY A 48 1.498 6.529 -14.324 1.00 0.00 C ATOM 723 C GLY A 48 1.810 6.237 -12.873 1.00 0.00 C ATOM 724 O GLY A 48 2.767 6.754 -12.333 1.00 0.00 O ATOM 0 H GLY A 48 0.989 4.504 -14.070 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.382 6.844 -14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.754 7.318 -14.434 1.00 0.00 H new ATOM 728 N ILE A 49 1.005 5.413 -12.259 1.00 0.00 N ATOM 729 CA ILE A 49 1.230 5.068 -10.837 1.00 0.00 C ATOM 730 C ILE A 49 1.699 3.613 -11.011 1.00 0.00 C ATOM 731 O ILE A 49 1.471 3.113 -12.097 1.00 0.00 O ATOM 732 CB ILE A 49 -0.161 5.260 -10.166 1.00 0.00 C ATOM 733 CG1 ILE A 49 -0.532 6.779 -10.192 1.00 0.00 C ATOM 734 CG2 ILE A 49 -0.216 4.724 -8.729 1.00 0.00 C ATOM 735 CD1 ILE A 49 -2.026 6.966 -9.885 1.00 0.00 C ATOM 0 H ILE A 49 0.197 4.964 -12.689 1.00 0.00 H new ATOM 0 HA ILE A 49 1.936 5.629 -10.225 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.885 4.678 -10.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.068 7.320 -9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.299 7.201 -11.169 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.212 4.888 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.005 3.657 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.520 5.246 -8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.272 8.028 -9.906 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.620 6.441 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.248 6.562 -8.897 1.00 0.00 H new ATOM 747 N LYS A 50 2.307 2.995 -10.011 1.00 0.00 N ATOM 748 CA LYS A 50 2.789 1.567 -10.127 1.00 0.00 C ATOM 749 C LYS A 50 2.192 0.811 -8.911 1.00 0.00 C ATOM 750 O LYS A 50 1.964 1.481 -7.917 1.00 0.00 O ATOM 751 CB LYS A 50 4.341 1.516 -10.067 1.00 0.00 C ATOM 752 CG LYS A 50 4.977 1.911 -11.451 1.00 0.00 C ATOM 753 CD LYS A 50 6.481 2.286 -11.288 1.00 0.00 C ATOM 754 CE LYS A 50 7.192 2.271 -12.661 1.00 0.00 C ATOM 755 NZ LYS A 50 8.534 2.921 -12.559 1.00 0.00 N ATOM 0 H LYS A 50 2.492 3.427 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 50 2.479 1.121 -11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.700 2.193 -9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.664 0.513 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.879 1.081 -12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.433 2.753 -11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.569 3.274 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.967 1.582 -10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.304 1.244 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.583 2.793 -13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.000 2.904 -13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.420 3.907 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.118 2.406 -11.870 1.00 0.00 H new ATOM 769 N LEU A 51 1.979 -0.498 -8.986 1.00 0.00 N ATOM 770 CA LEU A 51 1.378 -1.292 -7.838 1.00 0.00 C ATOM 771 C LEU A 51 2.032 -2.685 -7.644 1.00 0.00 C ATOM 772 O LEU A 51 2.734 -3.095 -8.546 1.00 0.00 O ATOM 773 CB LEU A 51 -0.098 -1.538 -8.123 1.00 0.00 C ATOM 774 CG LEU A 51 -0.912 -1.821 -6.847 1.00 0.00 C ATOM 775 CD1 LEU A 51 -2.028 -0.756 -6.751 1.00 0.00 C ATOM 776 CD2 LEU A 51 -1.535 -3.245 -6.924 1.00 0.00 C ATOM 0 H LEU A 51 2.200 -1.059 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 51 1.545 -0.701 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.516 -0.668 -8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.196 -2.382 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.271 -1.775 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.622 -0.932 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.580 0.237 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.669 -0.821 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.110 -3.440 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.192 -3.308 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.740 -3.985 -7.016 1.00 0.00 H new ATOM 788 N ASN A 52 1.778 -3.348 -6.521 1.00 0.00 N ATOM 789 CA ASN A 52 2.335 -4.729 -6.193 1.00 0.00 C ATOM 790 C ASN A 52 1.379 -5.374 -5.165 1.00 0.00 C ATOM 791 O ASN A 52 0.794 -4.575 -4.461 1.00 0.00 O ATOM 792 CB ASN A 52 3.686 -4.725 -5.477 1.00 0.00 C ATOM 793 CG ASN A 52 4.845 -4.850 -6.479 1.00 0.00 C ATOM 794 OD1 ASN A 52 5.336 -3.873 -7.009 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.322 -6.033 -6.782 1.00 0.00 N ATOM 0 H ASN A 52 1.181 -2.972 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 52 2.440 -5.240 -7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.794 -3.804 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.726 -5.550 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.089 -6.118 -7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.927 -6.868 -6.350 1.00 0.00 H new ATOM 802 N CYS A 53 1.218 -6.691 -5.052 1.00 0.00 N ATOM 803 CA CYS A 53 0.268 -7.306 -4.025 1.00 0.00 C ATOM 804 C CYS A 53 0.771 -8.637 -3.432 1.00 0.00 C ATOM 805 O CYS A 53 1.643 -9.225 -4.048 1.00 0.00 O ATOM 806 CB CYS A 53 -1.126 -7.666 -4.599 1.00 0.00 C ATOM 807 SG CYS A 53 -2.255 -6.285 -4.897 1.00 0.00 S ATOM 0 H CYS A 53 1.707 -7.373 -5.631 1.00 0.00 H new ATOM 0 HA CYS A 53 0.213 -6.516 -3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.981 -8.198 -5.539 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.609 -8.360 -3.912 1.00 0.00 H new ATOM 812 N CYS A 54 0.229 -9.065 -2.299 1.00 0.00 N ATOM 813 CA CYS A 54 0.656 -10.366 -1.663 1.00 0.00 C ATOM 814 C CYS A 54 -0.552 -11.018 -0.957 1.00 0.00 C ATOM 815 O CYS A 54 -1.558 -10.341 -0.799 1.00 0.00 O ATOM 816 CB CYS A 54 1.799 -10.158 -0.605 1.00 0.00 C ATOM 817 SG CYS A 54 1.941 -8.672 0.423 1.00 0.00 S ATOM 0 H CYS A 54 -0.496 -8.562 -1.787 1.00 0.00 H new ATOM 0 HA CYS A 54 1.035 -11.007 -2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.742 -11.003 0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.741 -10.250 -1.146 1.00 0.00 H new ATOM 822 N THR A 55 -0.423 -12.269 -0.567 1.00 0.00 N ATOM 823 CA THR A 55 -1.525 -12.983 0.114 1.00 0.00 C ATOM 824 C THR A 55 -1.136 -13.535 1.520 1.00 0.00 C ATOM 825 O THR A 55 -2.002 -13.902 2.294 1.00 0.00 O ATOM 826 CB THR A 55 -1.921 -14.129 -0.821 1.00 0.00 C ATOM 827 OG1 THR A 55 -0.666 -14.782 -1.038 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.306 -13.653 -2.248 1.00 0.00 C ATOM 0 H THR A 55 0.422 -12.825 -0.701 1.00 0.00 H new ATOM 0 HA THR A 55 -2.346 -12.292 0.303 1.00 0.00 H new ATOM 0 HB THR A 55 -2.751 -14.689 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.795 -15.550 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.576 -14.515 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.154 -12.971 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.459 -13.138 -2.701 1.00 0.00 H new ATOM 836 N THR A 56 0.120 -13.594 1.850 1.00 0.00 N ATOM 837 CA THR A 56 0.417 -14.145 3.171 1.00 0.00 C ATOM 838 C THR A 56 0.343 -13.048 4.231 1.00 0.00 C ATOM 839 O THR A 56 0.291 -11.882 3.909 1.00 0.00 O ATOM 840 CB THR A 56 1.780 -14.771 2.950 1.00 0.00 C ATOM 841 OG1 THR A 56 2.415 -13.749 2.185 1.00 0.00 O ATOM 842 CG2 THR A 56 1.711 -15.942 1.918 1.00 0.00 C ATOM 0 H THR A 56 0.914 -13.296 1.283 1.00 0.00 H new ATOM 0 HA THR A 56 -0.285 -14.885 3.556 1.00 0.00 H new ATOM 0 HB THR A 56 2.223 -15.110 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.330 -14.025 1.966 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.705 -16.368 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.033 -16.712 2.286 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.346 -15.564 0.963 1.00 0.00 H new ATOM 850 N ASP A 57 0.368 -13.446 5.467 1.00 0.00 N ATOM 851 CA ASP A 57 0.285 -12.429 6.533 1.00 0.00 C ATOM 852 C ASP A 57 1.626 -11.750 6.715 1.00 0.00 C ATOM 853 O ASP A 57 2.637 -12.330 6.381 1.00 0.00 O ATOM 854 CB ASP A 57 -0.097 -13.095 7.862 1.00 0.00 C ATOM 855 CG ASP A 57 -1.495 -13.734 7.785 1.00 0.00 C ATOM 856 OD1 ASP A 57 -1.578 -14.860 7.317 1.00 0.00 O ATOM 857 OD2 ASP A 57 -2.409 -13.043 8.202 1.00 0.00 O ATOM 0 H ASP A 57 0.441 -14.415 5.778 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.469 -11.695 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.640 -13.857 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.077 -12.354 8.662 1.00 0.00 H new ATOM 862 N LYS A 58 1.516 -10.563 7.263 1.00 0.00 N ATOM 863 CA LYS A 58 2.634 -9.616 7.595 1.00 0.00 C ATOM 864 C LYS A 58 3.646 -9.563 6.452 1.00 0.00 C ATOM 865 O LYS A 58 4.835 -9.569 6.697 1.00 0.00 O ATOM 866 CB LYS A 58 3.270 -10.136 8.951 1.00 0.00 C ATOM 867 CG LYS A 58 4.255 -9.192 9.726 1.00 0.00 C ATOM 868 CD LYS A 58 4.048 -9.423 11.266 1.00 0.00 C ATOM 869 CE LYS A 58 5.190 -8.831 12.125 1.00 0.00 C ATOM 870 NZ LYS A 58 6.332 -9.789 12.212 1.00 0.00 N ATOM 0 H LYS A 58 0.605 -10.180 7.516 1.00 0.00 H new ATOM 0 HA LYS A 58 2.280 -8.593 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.452 -10.387 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.801 -11.063 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.286 -9.406 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.064 -8.150 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.102 -8.975 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.972 -10.493 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.529 -7.891 11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.821 -8.605 13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.089 -9.375 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.008 -10.676 12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.695 -9.984 11.257 1.00 0.00 H new ATOM 884 N CYS A 59 3.164 -9.483 5.243 1.00 0.00 N ATOM 885 CA CYS A 59 4.107 -9.433 4.092 1.00 0.00 C ATOM 886 C CYS A 59 4.509 -8.009 3.839 1.00 0.00 C ATOM 887 O CYS A 59 5.630 -7.675 3.512 1.00 0.00 O ATOM 888 CB CYS A 59 3.445 -9.962 2.801 1.00 0.00 C ATOM 889 SG CYS A 59 1.803 -9.343 2.329 1.00 0.00 S ATOM 0 H CYS A 59 2.173 -9.450 5.004 1.00 0.00 H new ATOM 0 HA CYS A 59 4.968 -10.053 4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.124 -9.753 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.374 -11.046 2.889 1.00 0.00 H new ATOM 894 N ASN A 60 3.550 -7.169 4.005 1.00 0.00 N ATOM 895 CA ASN A 60 3.800 -5.729 3.775 1.00 0.00 C ATOM 896 C ASN A 60 4.177 -5.047 5.042 1.00 0.00 C ATOM 897 O ASN A 60 3.439 -4.240 5.571 1.00 0.00 O ATOM 898 CB ASN A 60 2.550 -5.037 3.199 1.00 0.00 C ATOM 899 CG ASN A 60 1.254 -5.427 3.943 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.226 -6.373 4.715 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.160 -4.739 3.730 1.00 0.00 N ATOM 0 H ASN A 60 2.601 -7.410 4.290 1.00 0.00 H new ATOM 0 HA ASN A 60 4.620 -5.655 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.682 -3.956 3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.450 -5.296 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.704 -4.995 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.173 -3.947 3.087 1.00 0.00 H new ATOM 908 N ASN A 61 5.342 -5.408 5.490 1.00 0.00 N ATOM 909 CA ASN A 61 5.906 -4.834 6.753 1.00 0.00 C ATOM 910 C ASN A 61 7.236 -4.277 6.309 1.00 0.00 C ATOM 911 O ASN A 61 7.877 -3.584 7.081 1.00 0.00 O ATOM 912 CB ASN A 61 6.210 -5.883 7.807 1.00 0.00 C ATOM 913 CG ASN A 61 6.410 -5.150 9.144 1.00 0.00 C ATOM 914 OD1 ASN A 61 5.445 -4.814 9.799 1.00 0.00 O ATOM 915 ND2 ASN A 61 7.604 -4.870 9.605 1.00 0.00 N ATOM 916 OXT ASN A 61 7.547 -4.607 5.177 1.00 0.00 O ATOM 0 H ASN A 61 5.945 -6.090 5.030 1.00 0.00 H new ATOM 0 HA ASN A 61 5.202 -4.130 7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.392 -6.600 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.105 -6.446 7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.706 -4.381 10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.432 -5.141 9.075 1.00 0.00 H new TER 923 ASN A 61