USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 THR OG1 : rot 62:sc= 0.221 USER MOD Set 2.1: A 20 ASN : amide:sc= 1.08 K(o=2.3,f=-7.4!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -176:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= 0.273 USER MOD Set 3.2: A 6 GLN : amide:sc= 0.29 K(o=0.56,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 9 SER OG : rot -80:sc= 0.283 USER MOD Single : A 10 ASN : amide:sc= 0.862 K(o=0.86,f=-0.011) USER MOD Single : A 21 THR OG1 : rot 48:sc= 0.453 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0448 K(o=-0.045,f=-0.57) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 40 THR OG1 : rot 81:sc= 0.135 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 49 THR OG1 : rot 63:sc= 0.834 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 13:sc= 1.18 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 76 ASN : amide:sc= 0.204 K(o=0.2,f=-4.3!) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 160:sc= -0.388 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 5.478 -12.997 1.783 1.00 -0.46 N ATOM 14 CA ILE A 2 5.080 -11.660 2.245 1.00 0.04 C ATOM 15 C ILE A 2 4.088 -11.808 3.373 1.00 0.62 C ATOM 16 O ILE A 2 3.355 -12.784 3.377 1.00 -0.50 O ATOM 17 CB ILE A 2 4.437 -10.792 1.126 1.00 -0.01 C ATOM 18 CG1 ILE A 2 5.368 -10.647 -0.106 1.00 -0.05 C ATOM 19 CG2 ILE A 2 3.969 -9.388 1.621 1.00 -0.09 C ATOM 20 CD1 ILE A 2 6.827 -10.216 0.205 1.00 -0.09 C ATOM 0 HA ILE A 2 5.987 -11.150 2.570 1.00 0.04 H new ATOM 0 HB ILE A 2 3.543 -11.337 0.823 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 5.394 -11.600 -0.634 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.930 -9.917 -0.787 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 3.531 -8.837 0.789 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 3.225 -9.509 2.408 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 4.824 -8.836 2.012 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 7.391 -10.145 -0.725 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 6.822 -9.246 0.702 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 7.293 -10.955 0.857 1.00 -0.09 H new ATOM 32 N THR A 3 4.041 -10.842 4.319 1.00 -0.46 N ATOM 33 CA THR A 3 3.026 -10.857 5.369 1.00 0.04 C ATOM 34 C THR A 3 2.624 -9.430 5.685 1.00 0.62 C ATOM 35 O THR A 3 3.380 -8.516 5.394 1.00 -0.50 O ATOM 36 CB THR A 3 3.556 -11.565 6.648 1.00 0.17 C ATOM 37 OG1 THR A 3 4.982 -11.379 6.709 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.187 -13.074 6.660 1.00 -0.19 C ATOM 0 H THR A 3 4.690 -10.057 4.368 1.00 -0.46 H new ATOM 0 HA THR A 3 2.159 -11.416 5.018 1.00 0.04 H new ATOM 0 HB THR A 3 3.086 -11.125 7.528 1.00 0.17 H new ATOM 0 HG1 THR A 3 5.335 -11.818 7.511 1.00 -0.55 H new ATOM 0 HG21 THR A 3 3.574 -13.536 7.568 1.00 -0.19 H new ATOM 0 HG22 THR A 3 2.103 -13.184 6.630 1.00 -0.19 H new ATOM 0 HG23 THR A 3 3.625 -13.563 5.790 1.00 -0.19 H new ATOM 46 N CYS A 4 1.429 -9.210 6.282 1.00 -0.46 N ATOM 47 CA CYS A 4 0.995 -7.837 6.524 1.00 0.04 C ATOM 48 C CYS A 4 1.958 -7.088 7.425 1.00 0.62 C ATOM 49 O CYS A 4 2.148 -5.901 7.210 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.446 -7.784 7.097 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.684 -8.624 6.035 1.00 0.82 S ATOM 0 H CYS A 4 0.782 -9.937 6.589 1.00 -0.46 H new ATOM 0 HA CYS A 4 0.991 -7.336 5.556 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.453 -8.245 8.085 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.738 -6.742 7.229 1.00 -0.10 H new ATOM 56 N GLY A 5 2.599 -7.732 8.426 1.00 -0.46 N ATOM 57 CA GLY A 5 3.567 -6.999 9.246 1.00 0.04 C ATOM 58 C GLY A 5 4.653 -6.351 8.408 1.00 0.62 C ATOM 59 O GLY A 5 5.003 -5.206 8.658 1.00 -0.50 O ATOM 0 H GLY A 5 2.468 -8.713 8.672 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 3.047 -6.232 9.820 1.00 0.04 H new ATOM 0 HA3 GLY A 5 4.023 -7.681 9.964 1.00 0.04 H new ATOM 63 N GLN A 6 5.202 -7.074 7.402 1.00 -0.46 N ATOM 64 CA GLN A 6 6.231 -6.478 6.545 1.00 0.04 C ATOM 65 C GLN A 6 5.676 -5.240 5.872 1.00 0.62 C ATOM 66 O GLN A 6 6.388 -4.263 5.693 1.00 -0.50 O ATOM 67 CB GLN A 6 6.721 -7.454 5.440 1.00 -0.10 C ATOM 68 CG GLN A 6 7.474 -8.672 6.042 1.00 -0.10 C ATOM 69 CD GLN A 6 7.955 -9.619 4.963 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.829 -9.237 4.203 1.00 -0.47 O ATOM 71 NE2 GLN A 6 7.426 -10.858 4.860 1.00 -0.87 N ATOM 0 H GLN A 6 4.954 -8.037 7.176 1.00 -0.46 H new ATOM 0 HA GLN A 6 7.077 -6.234 7.187 1.00 0.04 H new ATOM 0 HB2 GLN A 6 5.868 -7.804 4.859 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.379 -6.924 4.751 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 8.325 -8.322 6.626 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.815 -9.205 6.728 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 6.696 -11.156 5.507 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 7.757 -11.495 4.136 1.00 -0.87 H new ATOM 80 N VAL A 7 4.379 -5.288 5.502 1.00 -0.46 N ATOM 81 CA VAL A 7 3.754 -4.158 4.836 1.00 0.04 C ATOM 82 C VAL A 7 3.531 -3.035 5.829 1.00 0.62 C ATOM 83 O VAL A 7 4.104 -1.966 5.677 1.00 -0.50 O ATOM 84 CB VAL A 7 2.454 -4.609 4.116 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.723 -3.413 3.454 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.720 -5.738 3.078 1.00 -0.09 C ATOM 0 H VAL A 7 3.765 -6.088 5.656 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.414 -3.768 4.061 1.00 0.04 H new ATOM 0 HB VAL A 7 1.800 -5.020 4.885 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 0.818 -3.768 2.960 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.457 -2.682 4.217 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.379 -2.948 2.719 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 1.782 -6.021 2.600 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.419 -5.380 2.322 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.145 -6.605 3.584 1.00 -0.09 H new ATOM 96 N THR A 8 2.685 -3.257 6.858 1.00 -0.46 N ATOM 97 CA THR A 8 2.346 -2.187 7.792 1.00 0.04 C ATOM 98 C THR A 8 3.588 -1.449 8.247 1.00 0.62 C ATOM 99 O THR A 8 3.611 -0.227 8.215 1.00 -0.50 O ATOM 100 CB THR A 8 1.595 -2.801 9.006 1.00 0.17 C ATOM 101 OG1 THR A 8 0.585 -3.685 8.478 1.00 -0.55 O ATOM 102 CG2 THR A 8 0.923 -1.718 9.889 1.00 -0.19 C ATOM 0 H THR A 8 2.237 -4.153 7.052 1.00 -0.46 H new ATOM 0 HA THR A 8 1.703 -1.463 7.292 1.00 0.04 H new ATOM 0 HB THR A 8 2.308 -3.328 9.640 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.089 -4.094 9.218 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.411 -2.196 10.724 1.00 -0.19 H new ATOM 0 HG22 THR A 8 1.683 -1.037 10.271 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.202 -1.159 9.293 1.00 -0.19 H new ATOM 110 N SER A 9 4.643 -2.187 8.668 1.00 -0.46 N ATOM 111 CA SER A 9 5.860 -1.525 9.142 1.00 0.04 C ATOM 112 C SER A 9 6.426 -0.560 8.114 1.00 0.62 C ATOM 113 O SER A 9 6.591 0.607 8.441 1.00 -0.50 O ATOM 114 CB SER A 9 6.953 -2.537 9.584 1.00 0.02 C ATOM 115 OG SER A 9 7.407 -3.361 8.493 1.00 -0.55 O ATOM 0 H SER A 9 4.669 -3.207 8.686 1.00 -0.46 H new ATOM 0 HA SER A 9 5.560 -0.951 10.019 1.00 0.04 H new ATOM 0 HB2 SER A 9 7.800 -1.994 10.003 1.00 0.02 H new ATOM 0 HB3 SER A 9 6.558 -3.172 10.377 1.00 0.02 H new ATOM 0 HG SER A 9 6.761 -4.081 8.336 1.00 -0.55 H new ATOM 121 N ASN A 10 6.725 -0.975 6.861 1.00 -0.46 N ATOM 122 CA ASN A 10 7.247 -0.005 5.891 1.00 0.04 C ATOM 123 C ASN A 10 6.225 1.075 5.597 1.00 0.62 C ATOM 124 O ASN A 10 6.609 2.213 5.370 1.00 -0.50 O ATOM 125 CB ASN A 10 7.626 -0.639 4.533 1.00 -0.09 C ATOM 126 CG ASN A 10 8.861 -1.502 4.640 1.00 0.68 C ATOM 127 OD1 ASN A 10 9.951 -0.976 4.488 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.754 -2.821 4.904 1.00 -0.87 N ATOM 0 H ASN A 10 6.618 -1.929 6.516 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.142 0.404 6.360 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.793 -1.240 4.168 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.796 0.149 3.799 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.593 -3.396 4.980 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 7.834 -3.243 5.028 1.00 -0.87 H new ATOM 135 N LEU A 11 4.914 0.747 5.588 1.00 -0.46 N ATOM 136 CA LEU A 11 3.896 1.773 5.358 1.00 0.04 C ATOM 137 C LEU A 11 3.690 2.649 6.585 1.00 0.62 C ATOM 138 O LEU A 11 2.878 3.554 6.485 1.00 -0.50 O ATOM 139 CB LEU A 11 2.566 1.124 4.850 1.00 -0.06 C ATOM 140 CG LEU A 11 2.585 0.690 3.342 1.00 -0.01 C ATOM 141 CD1 LEU A 11 2.169 1.856 2.390 1.00 -0.11 C ATOM 142 CD2 LEU A 11 3.908 0.006 2.868 1.00 -0.11 C ATOM 0 H LEU A 11 4.552 -0.195 5.734 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.253 2.438 4.571 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.346 0.250 5.463 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 1.751 1.832 5.000 1.00 -0.06 H new ATOM 0 HG LEU A 11 1.827 -0.091 3.278 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 2.197 1.510 1.357 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 1.159 2.184 2.636 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 2.861 2.690 2.512 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 3.824 -0.257 1.814 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 4.742 0.694 3.005 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 4.081 -0.896 3.454 1.00 -0.11 H new ATOM 154 N ALA A 12 4.374 2.476 7.743 1.00 -0.46 N ATOM 155 CA ALA A 12 4.033 3.283 8.918 1.00 0.04 C ATOM 156 C ALA A 12 3.996 4.773 8.639 1.00 0.62 C ATOM 157 O ALA A 12 2.986 5.383 8.957 1.00 -0.50 O ATOM 158 CB ALA A 12 4.899 3.029 10.189 1.00 -0.10 C ATOM 0 H ALA A 12 5.134 1.810 7.878 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.027 2.929 9.142 1.00 0.04 H new ATOM 0 HB1 ALA A 12 4.560 3.679 10.996 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 4.799 1.988 10.495 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 5.944 3.243 9.966 1.00 -0.10 H new ATOM 164 N PRO A 13 5.024 5.448 8.050 1.00 -0.23 N ATOM 165 CA PRO A 13 4.890 6.881 7.822 1.00 0.04 C ATOM 166 C PRO A 13 3.803 7.161 6.803 1.00 0.53 C ATOM 167 O PRO A 13 3.192 8.216 6.844 1.00 -0.50 O ATOM 168 CB PRO A 13 6.294 7.235 7.267 1.00 -0.12 C ATOM 169 CG PRO A 13 7.188 6.009 7.585 1.00 -0.12 C ATOM 170 CD PRO A 13 6.230 4.794 7.552 1.00 -0.01 C ATOM 0 HA PRO A 13 4.607 7.457 8.703 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.255 7.424 6.194 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 6.685 8.138 7.736 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 7.986 5.902 6.851 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 7.664 6.110 8.561 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.104 4.383 6.550 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 6.562 3.977 8.193 1.00 -0.01 H new ATOM 178 N CYS A 14 3.533 6.217 5.869 1.00 -0.46 N ATOM 179 CA CYS A 14 2.463 6.421 4.903 1.00 0.04 C ATOM 180 C CYS A 14 1.147 6.455 5.642 1.00 0.62 C ATOM 181 O CYS A 14 0.379 7.386 5.469 1.00 -0.50 O ATOM 182 CB CYS A 14 2.422 5.301 3.838 1.00 -0.10 C ATOM 183 SG CYS A 14 3.778 5.280 2.622 1.00 0.82 S ATOM 0 H CYS A 14 4.035 5.334 5.776 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.646 7.362 4.384 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.412 4.341 4.354 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.480 5.381 3.296 1.00 -0.10 H new ATOM 188 N LEU A 15 0.874 5.451 6.494 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.351 5.479 7.288 1.00 0.04 C ATOM 190 C LEU A 15 -0.523 6.830 7.957 1.00 0.62 C ATOM 191 O LEU A 15 -1.623 7.363 7.975 1.00 -0.50 O ATOM 192 CB LEU A 15 -0.323 4.346 8.354 1.00 -0.06 C ATOM 193 CG LEU A 15 -0.377 2.893 7.775 1.00 -0.01 C ATOM 194 CD1 LEU A 15 -0.416 1.875 8.952 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -1.568 2.663 6.794 1.00 -0.11 C ATOM 0 H LEU A 15 1.469 4.636 6.643 1.00 -0.46 H new ATOM 0 HA LEU A 15 -1.200 5.316 6.624 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.584 4.450 8.950 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -1.166 4.483 9.031 1.00 -0.06 H new ATOM 0 HG LEU A 15 0.524 2.741 7.181 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 -0.454 0.861 8.555 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 0.478 1.992 9.564 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -1.300 2.059 9.563 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -1.546 1.636 6.430 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -2.508 2.843 7.315 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -1.483 3.349 5.951 1.00 -0.11 H new ATOM 207 N ALA A 16 0.559 7.415 8.509 1.00 -0.46 N ATOM 208 CA ALA A 16 0.428 8.738 9.115 1.00 0.04 C ATOM 209 C ALA A 16 0.214 9.814 8.057 1.00 0.62 C ATOM 210 O ALA A 16 -0.552 10.735 8.298 1.00 -0.50 O ATOM 211 CB ALA A 16 1.668 9.006 10.002 1.00 -0.10 C ATOM 0 H ALA A 16 1.493 7.006 8.544 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.459 8.769 9.748 1.00 0.04 H new ATOM 0 HB1 ALA A 16 1.582 9.991 10.460 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 1.728 8.247 10.782 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.569 8.968 9.389 1.00 -0.10 H new ATOM 217 N TYR A 17 0.852 9.716 6.866 1.00 -0.46 N ATOM 218 CA TYR A 17 0.535 10.639 5.767 1.00 0.04 C ATOM 219 C TYR A 17 -0.930 10.562 5.404 1.00 0.62 C ATOM 220 O TYR A 17 -1.522 11.584 5.090 1.00 -0.50 O ATOM 221 CB TYR A 17 1.371 10.297 4.503 1.00 -0.10 C ATOM 222 CG TYR A 17 1.157 11.251 3.316 1.00 -0.03 C ATOM 223 CD1 TYR A 17 1.572 12.586 3.408 1.00 0.00 C ATOM 224 CD2 TYR A 17 0.581 10.800 2.120 1.00 0.00 C ATOM 225 CE1 TYR A 17 1.530 13.416 2.285 1.00 -0.26 C ATOM 226 CE2 TYR A 17 0.599 11.608 0.979 1.00 -0.26 C ATOM 227 CZ TYR A 17 1.095 12.911 1.052 1.00 0.46 C ATOM 228 OH TYR A 17 1.144 13.689 -0.103 1.00 -0.53 O ATOM 0 H TYR A 17 1.570 9.024 6.651 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.776 11.645 6.110 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.428 10.302 4.770 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.127 9.283 4.186 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 1.926 12.975 4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.121 9.824 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.833 14.449 2.367 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 0.229 11.224 0.040 1.00 -0.26 H new ATOM 0 HH TYR A 17 0.802 13.171 -0.861 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.542 9.358 5.449 1.00 -0.46 N ATOM 239 CA LEU A 18 -2.967 9.255 5.150 1.00 0.04 C ATOM 240 C LEU A 18 -3.786 10.074 6.125 1.00 0.62 C ATOM 241 O LEU A 18 -4.770 10.673 5.717 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.481 7.791 5.159 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.762 6.824 4.169 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -3.481 5.445 4.152 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -2.685 7.437 2.746 1.00 -0.11 C ATOM 0 H LEU A 18 -1.082 8.478 5.682 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.090 9.647 4.140 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -3.377 7.393 6.169 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.546 7.796 4.926 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.739 6.673 4.513 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.971 4.777 3.458 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -3.461 5.012 5.152 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -4.515 5.578 3.834 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -2.179 6.741 2.077 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -3.693 7.627 2.377 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -2.129 8.374 2.783 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.378 10.136 7.411 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.065 11.020 8.352 1.00 0.04 C ATOM 259 C ARG A 19 -3.808 12.495 8.088 1.00 0.62 C ATOM 260 O ARG A 19 -4.305 13.294 8.867 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.656 10.697 9.819 1.00 -0.08 C ATOM 262 CG ARG A 19 -4.132 9.303 10.310 1.00 -0.10 C ATOM 263 CD ARG A 19 -3.723 9.075 11.793 1.00 -0.23 C ATOM 264 NE ARG A 19 -4.392 7.893 12.357 1.00 -0.32 N ATOM 265 CZ ARG A 19 -3.938 6.659 12.283 1.00 0.76 C ATOM 266 NH1 ARG A 19 -2.859 6.326 11.617 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -4.596 5.708 12.904 1.00 -0.62 N ATOM 0 H ARG A 19 -2.603 9.601 7.803 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.129 10.833 8.204 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -2.571 10.751 9.904 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -4.065 11.463 10.478 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -5.215 9.227 10.210 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -3.698 8.523 9.684 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -2.642 8.950 11.859 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -3.978 9.956 12.382 1.00 -0.23 H new ATOM 0 HE ARG A 19 -5.276 8.040 12.843 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -2.325 7.040 11.122 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -2.554 5.353 11.594 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -5.441 5.932 13.430 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -4.263 4.745 12.860 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.048 12.925 7.050 1.00 -0.46 N ATOM 282 CA ASN A 20 -2.638 14.328 6.977 1.00 0.04 C ATOM 283 C ASN A 20 -2.062 14.753 8.316 1.00 0.62 C ATOM 284 O ASN A 20 -2.336 15.858 8.758 1.00 -0.50 O ATOM 285 CB ASN A 20 -3.793 15.238 6.469 1.00 -0.09 C ATOM 286 CG ASN A 20 -4.106 14.953 5.018 1.00 0.68 C ATOM 287 OD1 ASN A 20 -3.313 15.329 4.170 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -5.236 14.303 4.668 1.00 -0.87 N ATOM 0 H ASN A 20 -2.722 12.336 6.283 1.00 -0.46 H new ATOM 0 HA ASN A 20 -1.849 14.443 6.234 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -4.684 15.075 7.076 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -3.515 16.285 6.586 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -5.436 14.121 3.684 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -5.890 13.994 5.387 1.00 -0.87 H new ATOM 295 N THR A 21 -1.256 13.868 8.958 1.00 -0.46 N ATOM 296 CA THR A 21 -0.671 14.175 10.268 1.00 0.04 C ATOM 297 C THR A 21 0.831 13.980 10.233 1.00 0.62 C ATOM 298 O THR A 21 1.541 14.946 10.468 1.00 -0.50 O ATOM 299 CB THR A 21 -1.339 13.308 11.373 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.764 13.503 11.368 1.00 -0.55 O ATOM 301 CG2 THR A 21 -0.772 13.601 12.788 1.00 -0.19 C ATOM 0 H THR A 21 -1.005 12.951 8.587 1.00 -0.46 H new ATOM 0 HA THR A 21 -0.862 15.221 10.508 1.00 0.04 H new ATOM 0 HB THR A 21 -1.108 12.269 11.140 1.00 0.17 H new ATOM 0 HG1 THR A 21 -3.101 13.430 10.451 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -1.274 12.968 13.519 1.00 -0.19 H new ATOM 0 HG22 THR A 21 0.298 13.393 12.802 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -0.941 14.648 13.038 1.00 -0.19 H new ATOM 309 N GLY A 22 1.353 12.762 9.944 1.00 -0.46 N ATOM 310 CA GLY A 22 2.807 12.570 9.907 1.00 0.04 C ATOM 311 C GLY A 22 3.322 12.675 8.490 1.00 0.62 C ATOM 312 O GLY A 22 2.601 12.239 7.607 1.00 -0.50 O ATOM 0 H GLY A 22 0.802 11.928 9.741 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 3.294 13.318 10.533 1.00 0.04 H new ATOM 0 HA3 GLY A 22 3.061 11.594 10.320 1.00 0.04 H new ATOM 316 N PRO A 23 4.535 13.209 8.189 1.00 -0.23 N ATOM 317 CA PRO A 23 4.959 13.311 6.798 1.00 0.04 C ATOM 318 C PRO A 23 5.436 11.980 6.251 1.00 0.53 C ATOM 319 O PRO A 23 5.710 11.086 7.036 1.00 -0.50 O ATOM 320 CB PRO A 23 6.137 14.304 6.967 1.00 -0.12 C ATOM 321 CG PRO A 23 6.705 13.949 8.364 1.00 -0.12 C ATOM 322 CD PRO A 23 5.434 13.718 9.216 1.00 -0.01 C ATOM 0 HA PRO A 23 4.180 13.616 6.100 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.885 14.177 6.185 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.800 15.340 6.921 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 7.333 13.059 8.329 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 7.318 14.756 8.766 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.596 13.002 10.021 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 5.067 14.636 9.675 1.00 -0.01 H new ATOM 330 N LEU A 24 5.548 11.821 4.907 1.00 -0.46 N ATOM 331 CA LEU A 24 6.051 10.559 4.355 1.00 0.04 C ATOM 332 C LEU A 24 7.507 10.361 4.716 1.00 0.62 C ATOM 333 O LEU A 24 7.893 9.248 5.039 1.00 -0.50 O ATOM 334 CB LEU A 24 5.970 10.494 2.796 1.00 -0.06 C ATOM 335 CG LEU A 24 4.520 10.360 2.256 1.00 -0.01 C ATOM 336 CD1 LEU A 24 4.413 10.738 0.752 1.00 -0.11 C ATOM 337 CD2 LEU A 24 4.004 8.910 2.424 1.00 -0.11 C ATOM 0 H LEU A 24 5.304 12.530 4.215 1.00 -0.46 H new ATOM 0 HA LEU A 24 5.414 9.786 4.785 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.423 11.393 2.379 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 6.560 9.648 2.444 1.00 -0.06 H new ATOM 0 HG LEU A 24 3.914 11.053 2.839 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 3.380 10.628 0.422 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 4.730 11.771 0.613 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 5.054 10.080 0.165 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 2.987 8.839 2.039 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 4.650 8.228 1.871 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.012 8.641 3.480 1.00 -0.11 H new ATOM 349 N GLY A 25 8.343 11.420 4.638 1.00 -0.46 N ATOM 350 CA GLY A 25 9.766 11.237 4.917 1.00 0.04 C ATOM 351 C GLY A 25 10.353 10.282 3.899 1.00 0.62 C ATOM 352 O GLY A 25 10.568 10.709 2.775 1.00 -0.50 O ATOM 0 H GLY A 25 8.063 12.370 4.394 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 10.283 12.195 4.875 1.00 0.04 H new ATOM 0 HA3 GLY A 25 9.904 10.844 5.924 1.00 0.04 H new ATOM 356 N ARG A 26 10.604 8.998 4.260 1.00 -0.46 N ATOM 357 CA ARG A 26 11.144 8.034 3.299 1.00 0.04 C ATOM 358 C ARG A 26 10.207 6.851 3.186 1.00 0.62 C ATOM 359 O ARG A 26 10.656 5.739 2.950 1.00 -0.50 O ATOM 360 CB ARG A 26 12.599 7.626 3.674 1.00 -0.08 C ATOM 361 CG ARG A 26 13.591 8.829 3.642 1.00 -0.10 C ATOM 362 CD ARG A 26 13.633 9.655 4.963 1.00 -0.23 C ATOM 363 NE ARG A 26 14.361 10.918 4.789 1.00 -0.32 N ATOM 364 CZ ARG A 26 14.528 11.805 5.747 1.00 0.76 C ATOM 365 NH1 ARG A 26 14.084 11.629 6.968 1.00 -0.62 N ATOM 366 NH2 ARG A 26 15.162 12.920 5.477 1.00 -0.62 N ATOM 0 H ARG A 26 10.441 8.622 5.194 1.00 -0.46 H new ATOM 0 HA ARG A 26 11.208 8.496 2.314 1.00 0.04 H new ATOM 0 HB2 ARG A 26 12.602 7.185 4.671 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.945 6.857 2.984 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 14.592 8.455 3.428 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 13.316 9.491 2.821 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 12.616 9.864 5.295 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 14.109 9.065 5.746 1.00 -0.23 H new ATOM 0 HE ARG A 26 14.761 11.120 3.872 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 13.584 10.774 7.210 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 14.239 12.347 7.676 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 15.517 13.090 4.536 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 15.300 13.618 6.208 1.00 -0.62 H new ATOM 380 N CYS A 27 8.879 7.067 3.328 1.00 -0.46 N ATOM 381 CA CYS A 27 7.964 5.945 3.170 1.00 0.04 C ATOM 382 C CYS A 27 8.084 5.434 1.753 1.00 0.62 C ATOM 383 O CYS A 27 8.174 4.232 1.576 1.00 -0.50 O ATOM 384 CB CYS A 27 6.485 6.344 3.386 1.00 -0.10 C ATOM 385 SG CYS A 27 5.479 4.845 3.635 1.00 0.82 S ATOM 0 H CYS A 27 8.446 7.966 3.541 1.00 -0.46 H new ATOM 0 HA CYS A 27 8.233 5.198 3.917 1.00 0.04 H new ATOM 0 HB2 CYS A 27 6.398 7.001 4.251 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 6.118 6.901 2.524 1.00 -0.10 H new ATOM 390 N CYS A 28 8.070 6.333 0.738 1.00 -0.46 N ATOM 391 CA CYS A 28 8.096 5.871 -0.647 1.00 0.04 C ATOM 392 C CYS A 28 9.188 4.841 -0.862 1.00 0.62 C ATOM 393 O CYS A 28 8.925 3.846 -1.519 1.00 -0.50 O ATOM 394 CB CYS A 28 8.300 7.032 -1.657 1.00 -0.10 C ATOM 395 SG CYS A 28 6.994 8.316 -1.619 1.00 0.82 S ATOM 0 H CYS A 28 8.042 7.346 0.858 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.120 5.420 -0.830 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.262 7.505 -1.457 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.352 6.616 -2.663 1.00 -0.10 H new ATOM 400 N GLY A 29 10.406 5.043 -0.311 1.00 -0.46 N ATOM 401 CA GLY A 29 11.435 4.015 -0.448 1.00 0.04 C ATOM 402 C GLY A 29 10.970 2.717 0.177 1.00 0.62 C ATOM 403 O GLY A 29 11.087 1.675 -0.449 1.00 -0.50 O ATOM 0 H GLY A 29 10.684 5.875 0.210 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.663 3.857 -1.502 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.356 4.347 0.031 1.00 0.04 H new ATOM 407 N GLY A 30 10.437 2.751 1.420 1.00 -0.46 N ATOM 408 CA GLY A 30 9.953 1.518 2.040 1.00 0.04 C ATOM 409 C GLY A 30 8.800 0.902 1.270 1.00 0.62 C ATOM 410 O GLY A 30 8.716 -0.315 1.199 1.00 -0.50 O ATOM 0 H GLY A 30 10.337 3.592 1.989 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 10.771 0.800 2.102 1.00 0.04 H new ATOM 0 HA3 GLY A 30 9.635 1.728 3.061 1.00 0.04 H new ATOM 414 N VAL A 31 7.886 1.713 0.685 1.00 -0.46 N ATOM 415 CA VAL A 31 6.817 1.138 -0.131 1.00 0.04 C ATOM 416 C VAL A 31 7.510 0.454 -1.290 1.00 0.62 C ATOM 417 O VAL A 31 7.316 -0.731 -1.508 1.00 -0.50 O ATOM 418 CB VAL A 31 5.774 2.178 -0.657 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.635 1.472 -1.450 1.00 -0.09 C ATOM 420 CG2 VAL A 31 5.142 2.996 0.502 1.00 -0.09 C ATOM 0 H VAL A 31 7.874 2.730 0.764 1.00 -0.46 H new ATOM 0 HA VAL A 31 6.229 0.455 0.482 1.00 0.04 H new ATOM 0 HB VAL A 31 6.315 2.857 -1.315 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 3.923 2.217 -1.805 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.060 0.941 -2.302 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.124 0.763 -0.799 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.423 3.707 0.095 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.634 2.320 1.190 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.925 3.536 1.035 1.00 -0.09 H new ATOM 430 N LYS A 32 8.349 1.210 -2.027 1.00 -0.46 N ATOM 431 CA LYS A 32 9.043 0.662 -3.190 1.00 0.04 C ATOM 432 C LYS A 32 9.800 -0.607 -2.857 1.00 0.62 C ATOM 433 O LYS A 32 9.748 -1.547 -3.636 1.00 -0.50 O ATOM 434 CB LYS A 32 9.992 1.749 -3.766 1.00 -0.10 C ATOM 435 CG LYS A 32 10.682 1.325 -5.090 1.00 -0.16 C ATOM 436 CD LYS A 32 11.613 2.476 -5.572 1.00 -0.18 C ATOM 437 CE LYS A 32 12.382 2.140 -6.882 1.00 -0.04 C ATOM 438 NZ LYS A 32 11.477 1.859 -8.025 1.00 -0.14 N ATOM 0 H LYS A 32 8.555 2.190 -1.833 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.303 0.386 -3.941 1.00 0.04 H new ATOM 0 HB2 LYS A 32 9.424 2.663 -3.938 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 10.756 1.983 -3.025 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 11.260 0.413 -4.938 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 9.933 1.104 -5.850 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 11.016 3.374 -5.730 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 12.332 2.705 -4.786 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 13.035 2.974 -7.138 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 13.022 1.275 -6.710 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 12.043 1.642 -8.870 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 10.870 1.046 -7.796 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 10.883 2.692 -8.211 1.00 -0.14 H new ATOM 452 N ALA A 33 10.502 -0.658 -1.702 1.00 -0.46 N ATOM 453 CA ALA A 33 11.205 -1.885 -1.329 1.00 0.04 C ATOM 454 C ALA A 33 10.266 -3.069 -1.429 1.00 0.62 C ATOM 455 O ALA A 33 10.638 -4.092 -1.981 1.00 -0.50 O ATOM 456 CB ALA A 33 11.759 -1.820 0.119 1.00 -0.10 C ATOM 0 H ALA A 33 10.590 0.112 -1.039 1.00 -0.46 H new ATOM 0 HA ALA A 33 12.042 -1.997 -2.018 1.00 0.04 H new ATOM 0 HB1 ALA A 33 12.273 -2.752 0.354 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 12.458 -0.988 0.204 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.935 -1.674 0.818 1.00 -0.10 H new ATOM 462 N LEU A 34 9.027 -2.934 -0.903 1.00 -0.46 N ATOM 463 CA LEU A 34 8.077 -4.040 -0.991 1.00 0.04 C ATOM 464 C LEU A 34 7.609 -4.240 -2.415 1.00 0.62 C ATOM 465 O LEU A 34 7.450 -5.380 -2.815 1.00 -0.50 O ATOM 466 CB LEU A 34 6.817 -3.781 -0.129 1.00 -0.06 C ATOM 467 CG LEU A 34 7.121 -3.710 1.392 1.00 -0.01 C ATOM 468 CD1 LEU A 34 5.947 -2.963 2.067 1.00 -0.11 C ATOM 469 CD2 LEU A 34 7.295 -5.117 2.029 1.00 -0.11 C ATOM 0 H LEU A 34 8.681 -2.098 -0.432 1.00 -0.46 H new ATOM 0 HA LEU A 34 8.604 -4.923 -0.629 1.00 0.04 H new ATOM 0 HB2 LEU A 34 6.355 -2.846 -0.445 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 6.091 -4.573 -0.311 1.00 -0.06 H new ATOM 0 HG LEU A 34 8.065 -3.186 1.541 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 6.128 -2.895 3.140 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 5.865 -1.960 1.648 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 5.019 -3.507 1.889 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 7.506 -5.011 3.093 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 6.379 -5.692 1.896 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 8.123 -5.636 1.545 1.00 -0.11 H new ATOM 481 N VAL A 35 7.371 -3.172 -3.206 1.00 -0.46 N ATOM 482 CA VAL A 35 6.824 -3.364 -4.557 1.00 0.04 C ATOM 483 C VAL A 35 7.686 -4.355 -5.307 1.00 0.62 C ATOM 484 O VAL A 35 7.145 -5.234 -5.960 1.00 -0.50 O ATOM 485 CB VAL A 35 6.691 -2.015 -5.332 1.00 -0.01 C ATOM 486 CG1 VAL A 35 6.170 -2.173 -6.791 1.00 -0.09 C ATOM 487 CG2 VAL A 35 5.728 -1.080 -4.550 1.00 -0.09 C ATOM 0 H VAL A 35 7.543 -2.202 -2.941 1.00 -0.46 H new ATOM 0 HA VAL A 35 5.814 -3.764 -4.471 1.00 0.04 H new ATOM 0 HB VAL A 35 7.694 -1.595 -5.405 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 6.105 -1.192 -7.262 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 6.857 -2.803 -7.356 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 5.183 -2.635 -6.777 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 5.627 -0.134 -5.082 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 4.750 -1.554 -4.464 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 6.130 -0.895 -3.554 1.00 -0.09 H new ATOM 497 N ASN A 36 9.029 -4.243 -5.201 1.00 -0.46 N ATOM 498 CA ASN A 36 9.895 -5.223 -5.855 1.00 0.04 C ATOM 499 C ASN A 36 9.466 -6.646 -5.540 1.00 0.62 C ATOM 500 O ASN A 36 9.339 -7.444 -6.456 1.00 -0.50 O ATOM 501 CB ASN A 36 11.364 -5.028 -5.392 1.00 -0.09 C ATOM 502 CG ASN A 36 11.864 -3.640 -5.733 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.576 -3.153 -6.813 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.622 -2.963 -4.844 1.00 -0.87 N ATOM 0 H ASN A 36 9.514 -3.508 -4.686 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.814 -5.064 -6.930 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.434 -5.189 -4.316 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 12.000 -5.774 -5.868 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.963 -2.029 -5.071 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.853 -3.386 -3.945 1.00 -0.87 H new ATOM 511 N SER A 37 9.247 -6.984 -4.249 1.00 -0.46 N ATOM 512 CA SER A 37 8.884 -8.354 -3.887 1.00 0.04 C ATOM 513 C SER A 37 7.400 -8.557 -4.109 1.00 0.62 C ATOM 514 O SER A 37 7.034 -9.510 -4.779 1.00 -0.50 O ATOM 515 CB SER A 37 9.313 -8.623 -2.427 1.00 0.02 C ATOM 516 OG SER A 37 8.578 -7.733 -1.568 1.00 -0.55 O ATOM 0 H SER A 37 9.315 -6.337 -3.464 1.00 -0.46 H new ATOM 0 HA SER A 37 9.405 -9.074 -4.518 1.00 0.04 H new ATOM 0 HB2 SER A 37 9.114 -9.660 -2.158 1.00 0.02 H new ATOM 0 HB3 SER A 37 10.385 -8.463 -2.311 1.00 0.02 H new ATOM 0 HG SER A 37 8.836 -7.890 -0.636 1.00 -0.55 H new ATOM 522 N ALA A 38 6.521 -7.652 -3.624 1.00 -0.46 N ATOM 523 CA ALA A 38 5.107 -7.651 -4.012 1.00 0.04 C ATOM 524 C ALA A 38 4.822 -7.408 -5.486 1.00 0.62 C ATOM 525 O ALA A 38 3.919 -6.644 -5.783 1.00 -0.50 O ATOM 526 CB ALA A 38 4.306 -6.716 -3.059 1.00 -0.10 C ATOM 0 H ALA A 38 6.773 -6.916 -2.964 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.753 -8.674 -3.887 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.255 -6.716 -3.348 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.400 -7.074 -2.034 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.701 -5.702 -3.127 1.00 -0.10 H new ATOM 532 N ARG A 39 5.526 -8.068 -6.441 1.00 -0.46 N ATOM 533 CA ARG A 39 5.113 -8.082 -7.845 1.00 0.04 C ATOM 534 C ARG A 39 5.253 -9.464 -8.472 1.00 0.62 C ATOM 535 O ARG A 39 5.264 -9.536 -9.692 1.00 -0.50 O ATOM 536 CB ARG A 39 5.870 -6.954 -8.618 1.00 -0.08 C ATOM 537 CG ARG A 39 4.958 -5.714 -8.858 1.00 -0.10 C ATOM 538 CD ARG A 39 4.058 -5.785 -10.138 1.00 -0.23 C ATOM 539 NE ARG A 39 3.570 -7.095 -10.602 1.00 -0.32 N ATOM 540 CZ ARG A 39 2.640 -7.262 -11.520 1.00 0.76 C ATOM 541 NH1 ARG A 39 2.014 -6.269 -12.104 1.00 -0.62 N ATOM 542 NH2 ARG A 39 2.329 -8.484 -11.885 1.00 -0.62 N ATOM 0 H ARG A 39 6.380 -8.593 -6.252 1.00 -0.46 H new ATOM 0 HA ARG A 39 4.047 -7.864 -7.911 1.00 0.04 H new ATOM 0 HB2 ARG A 39 6.753 -6.654 -8.053 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.220 -7.340 -9.575 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 4.315 -5.583 -7.988 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 5.588 -4.827 -8.925 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 3.187 -5.154 -9.962 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 4.617 -5.334 -10.958 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.980 -7.930 -10.184 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 2.239 -5.306 -11.853 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 1.302 -6.459 -12.809 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.804 -9.280 -11.460 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 1.612 -8.638 -12.594 1.00 -0.62 H new ATOM 556 N THR A 40 5.329 -10.569 -7.688 1.00 -0.46 N ATOM 557 CA THR A 40 5.600 -11.902 -8.235 1.00 0.04 C ATOM 558 C THR A 40 4.334 -12.733 -8.212 1.00 0.62 C ATOM 559 O THR A 40 4.340 -13.839 -7.697 1.00 -0.50 O ATOM 560 CB THR A 40 6.747 -12.533 -7.390 1.00 0.17 C ATOM 561 OG1 THR A 40 7.726 -11.507 -7.138 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.430 -13.727 -8.113 1.00 -0.19 C ATOM 0 H THR A 40 5.205 -10.552 -6.676 1.00 -0.46 H new ATOM 0 HA THR A 40 5.918 -11.852 -9.276 1.00 0.04 H new ATOM 0 HB THR A 40 6.321 -12.921 -6.465 1.00 0.17 H new ATOM 0 HG1 THR A 40 7.432 -10.951 -6.386 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.222 -14.130 -7.481 1.00 -0.19 H new ATOM 0 HG22 THR A 40 6.691 -14.504 -8.309 1.00 -0.19 H new ATOM 0 HG23 THR A 40 7.857 -13.385 -9.056 1.00 -0.19 H new ATOM 570 N THR A 41 3.212 -12.215 -8.762 1.00 -0.46 N ATOM 571 CA THR A 41 1.947 -12.969 -8.792 1.00 0.04 C ATOM 572 C THR A 41 1.316 -13.136 -7.418 1.00 0.62 C ATOM 573 O THR A 41 0.252 -12.586 -7.170 1.00 -0.50 O ATOM 574 CB THR A 41 2.019 -14.344 -9.527 1.00 0.17 C ATOM 575 OG1 THR A 41 2.699 -14.185 -10.790 1.00 -0.55 O ATOM 576 CG2 THR A 41 0.602 -14.900 -9.843 1.00 -0.19 C ATOM 0 H THR A 41 3.161 -11.288 -9.185 1.00 -0.46 H new ATOM 0 HA THR A 41 1.296 -12.333 -9.393 1.00 0.04 H new ATOM 0 HB THR A 41 2.547 -15.032 -8.867 1.00 0.17 H new ATOM 0 HG1 THR A 41 2.744 -15.050 -11.248 1.00 -0.55 H new ATOM 0 HG21 THR A 41 0.693 -15.858 -10.355 1.00 -0.19 H new ATOM 0 HG22 THR A 41 0.049 -15.036 -8.914 1.00 -0.19 H new ATOM 0 HG23 THR A 41 0.069 -14.196 -10.483 1.00 -0.19 H new ATOM 584 N GLU A 42 1.950 -13.918 -6.512 1.00 -0.46 N ATOM 585 CA GLU A 42 1.394 -14.174 -5.180 1.00 0.04 C ATOM 586 C GLU A 42 1.666 -12.973 -4.300 1.00 0.62 C ATOM 587 O GLU A 42 0.741 -12.358 -3.789 1.00 -0.50 O ATOM 588 CB GLU A 42 2.037 -15.470 -4.596 1.00 -0.18 C ATOM 589 CG GLU A 42 1.701 -15.696 -3.093 1.00 -0.40 C ATOM 590 CD GLU A 42 2.460 -16.858 -2.502 1.00 0.71 C ATOM 591 OE1 GLU A 42 3.179 -17.572 -3.255 1.00 -0.72 O ATOM 592 OE2 GLU A 42 2.343 -17.058 -1.262 1.00 -0.72 O ATOM 0 H GLU A 42 2.844 -14.377 -6.687 1.00 -0.46 H new ATOM 0 HA GLU A 42 0.316 -14.327 -5.232 1.00 0.04 H new ATOM 0 HB2 GLU A 42 1.694 -16.330 -5.172 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 3.119 -15.417 -4.716 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 1.933 -14.791 -2.532 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 0.631 -15.872 -2.985 1.00 -0.40 H new ATOM 599 N ASP A 43 2.962 -12.641 -4.125 1.00 -0.46 N ATOM 600 CA ASP A 43 3.379 -11.573 -3.211 1.00 0.04 C ATOM 601 C ASP A 43 2.513 -10.333 -3.419 1.00 0.62 C ATOM 602 O ASP A 43 1.994 -9.765 -2.470 1.00 -0.50 O ATOM 603 CB ASP A 43 4.899 -11.354 -3.483 1.00 -0.40 C ATOM 604 CG ASP A 43 5.734 -12.598 -3.325 1.00 0.71 C ATOM 605 OD1 ASP A 43 5.376 -13.613 -3.982 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.743 -12.573 -2.571 1.00 -0.72 O ATOM 0 H ASP A 43 3.733 -13.101 -4.608 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.241 -11.825 -2.160 1.00 0.04 H new ATOM 0 HB2 ASP A 43 5.025 -10.970 -4.495 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.273 -10.589 -2.803 1.00 -0.40 H new ATOM 611 N ARG A 44 2.326 -9.923 -4.694 1.00 -0.46 N ATOM 612 CA ARG A 44 1.383 -8.847 -5.042 1.00 0.04 C ATOM 613 C ARG A 44 0.033 -8.943 -4.355 1.00 0.62 C ATOM 614 O ARG A 44 -0.437 -7.962 -3.794 1.00 -0.50 O ATOM 615 CB ARG A 44 1.147 -8.953 -6.578 1.00 -0.08 C ATOM 616 CG ARG A 44 0.011 -8.060 -7.160 1.00 -0.10 C ATOM 617 CD ARG A 44 -0.257 -8.458 -8.640 1.00 -0.23 C ATOM 618 NE ARG A 44 -0.695 -9.848 -8.755 1.00 -0.32 N ATOM 619 CZ ARG A 44 -0.777 -10.521 -9.879 1.00 0.76 C ATOM 620 NH1 ARG A 44 -0.510 -9.996 -11.043 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -1.160 -11.773 -9.835 1.00 -0.62 N ATOM 0 H ARG A 44 2.816 -10.323 -5.494 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.821 -7.904 -4.717 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.077 -8.699 -7.086 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.925 -9.992 -6.820 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.898 -8.179 -6.570 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.294 -7.009 -7.101 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -1.017 -7.801 -9.062 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 0.650 -8.313 -9.226 1.00 -0.23 H new ATOM 0 HE ARG A 44 -0.957 -10.332 -7.896 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -0.222 -9.020 -11.108 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -0.589 -10.562 -11.888 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -1.387 -12.206 -8.940 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.231 -12.315 -10.696 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.631 -10.117 -4.431 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.978 -10.250 -3.868 1.00 0.04 C ATOM 637 C GLN A 45 -1.915 -10.116 -2.366 1.00 0.62 C ATOM 638 O GLN A 45 -2.816 -9.541 -1.772 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.623 -11.614 -4.250 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.962 -11.622 -5.761 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.368 -12.969 -6.306 1.00 0.68 C ATOM 642 OE1 GLN A 45 -4.555 -13.236 -6.379 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -2.410 -13.831 -6.709 1.00 -0.87 N ATOM 0 H GLN A 45 -0.262 -10.962 -4.866 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.599 -9.457 -4.284 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.939 -12.430 -4.016 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.527 -11.778 -3.663 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.769 -10.913 -5.943 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.094 -11.266 -6.317 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -1.426 -13.572 -6.633 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -2.670 -14.741 -7.090 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.840 -10.638 -1.732 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.711 -10.490 -0.284 1.00 0.04 C ATOM 654 C ILE A 46 -0.640 -9.002 0.021 1.00 0.62 C ATOM 655 O ILE A 46 -1.395 -8.533 0.863 1.00 -0.50 O ATOM 656 CB ILE A 46 0.528 -11.223 0.315 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.647 -12.726 -0.109 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.550 -11.052 1.862 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -0.629 -13.584 0.129 1.00 -0.09 C ATOM 0 H ILE A 46 -0.082 -11.145 -2.188 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.577 -10.958 0.183 1.00 0.04 H new ATOM 0 HB ILE A 46 1.412 -10.747 -0.110 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.902 -12.769 -1.168 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 1.476 -13.177 0.437 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.418 -11.567 2.273 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.606 -9.992 2.110 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.359 -11.477 2.288 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -0.445 -14.608 -0.197 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -0.877 -13.580 1.190 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -1.460 -13.166 -0.440 1.00 -0.09 H new ATOM 671 N ALA A 47 0.263 -8.233 -0.642 1.00 -0.46 N ATOM 672 CA ALA A 47 0.336 -6.798 -0.367 1.00 0.04 C ATOM 673 C ALA A 47 -1.015 -6.155 -0.560 1.00 0.62 C ATOM 674 O ALA A 47 -1.482 -5.489 0.348 1.00 -0.50 O ATOM 675 CB ALA A 47 1.353 -6.037 -1.252 1.00 -0.10 C ATOM 0 H ALA A 47 0.921 -8.577 -1.341 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.672 -6.724 0.667 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.347 -4.980 -0.986 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.351 -6.445 -1.093 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.078 -6.149 -2.301 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.680 -6.342 -1.721 1.00 -0.46 N ATOM 682 CA CYS A 48 -3.007 -5.756 -1.877 1.00 0.04 C ATOM 683 C CYS A 48 -3.897 -6.113 -0.709 1.00 0.62 C ATOM 684 O CYS A 48 -4.535 -5.232 -0.157 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.728 -6.330 -3.115 1.00 -0.10 C ATOM 686 SG CYS A 48 -3.081 -5.580 -4.624 1.00 0.82 S ATOM 0 H CYS A 48 -1.332 -6.869 -2.522 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.851 -4.680 -1.960 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -3.595 -7.411 -3.153 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -4.799 -6.143 -3.039 1.00 -0.10 H new ATOM 691 N THR A 49 -3.972 -7.410 -0.340 1.00 -0.46 N ATOM 692 CA THR A 49 -4.927 -7.809 0.691 1.00 0.04 C ATOM 693 C THR A 49 -4.578 -7.067 1.964 1.00 0.62 C ATOM 694 O THR A 49 -5.438 -6.460 2.583 1.00 -0.50 O ATOM 695 CB THR A 49 -4.969 -9.339 0.981 1.00 0.17 C ATOM 696 OG1 THR A 49 -5.158 -10.114 -0.222 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.166 -9.675 1.913 1.00 -0.19 C ATOM 0 H THR A 49 -3.404 -8.164 -0.727 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.920 -7.555 0.319 1.00 0.04 H new ATOM 0 HB THR A 49 -4.013 -9.589 1.440 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.395 -9.978 -0.822 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.185 -10.747 2.109 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -6.057 -9.136 2.854 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.097 -9.378 1.431 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.287 -7.110 2.361 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.868 -6.409 3.570 1.00 0.04 C ATOM 707 C CYS A 50 -3.122 -4.917 3.477 1.00 0.62 C ATOM 708 O CYS A 50 -3.652 -4.352 4.422 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.351 -6.611 3.809 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.997 -8.368 4.140 1.00 0.82 S ATOM 0 H CYS A 50 -2.545 -7.610 1.871 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.453 -6.825 4.390 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.790 -6.277 2.936 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -1.023 -6.001 4.651 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.733 -4.263 2.359 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.892 -2.812 2.257 1.00 0.04 C ATOM 717 C LEU A 51 -4.356 -2.452 2.304 1.00 0.62 C ATOM 718 O LEU A 51 -4.733 -1.551 3.035 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.200 -2.190 0.994 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.722 -1.842 1.335 1.00 -0.01 C ATOM 721 CD1 LEU A 51 0.230 -1.621 0.129 1.00 -0.11 C ATOM 722 CD2 LEU A 51 -0.632 -0.641 2.331 1.00 -0.11 C ATOM 0 H LEU A 51 -2.319 -4.710 1.541 1.00 -0.46 H new ATOM 0 HA LEU A 51 -2.379 -2.378 3.115 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.237 -2.893 0.162 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.733 -1.293 0.678 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.353 -2.751 1.810 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.230 -1.385 0.493 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 0.268 -2.527 -0.475 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.139 -0.795 -0.479 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 0.414 -0.425 2.547 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -1.099 0.237 1.885 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -1.148 -0.896 3.256 1.00 -0.11 H new ATOM 734 N LYS A 52 -5.192 -3.171 1.532 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.630 -2.932 1.588 1.00 0.04 C ATOM 736 C LYS A 52 -7.087 -2.855 3.034 1.00 0.62 C ATOM 737 O LYS A 52 -7.752 -1.897 3.397 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.355 -4.085 0.836 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.889 -3.873 0.759 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.620 -4.932 -0.124 1.00 -0.18 C ATOM 741 CE LYS A 52 -9.430 -6.420 0.293 1.00 -0.04 C ATOM 742 NZ LYS A 52 -10.008 -6.752 1.624 1.00 -0.14 N ATOM 0 H LYS A 52 -4.899 -3.901 0.882 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.873 -1.983 1.110 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.952 -4.166 -0.173 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.147 -5.029 1.339 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -9.303 -3.904 1.767 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -9.091 -2.878 0.362 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -10.687 -4.707 -0.117 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -9.277 -4.817 -1.152 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -9.888 -7.060 -0.461 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -8.365 -6.651 0.302 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -9.843 -7.757 1.833 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -9.555 -6.168 2.355 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -11.031 -6.563 1.615 1.00 -0.14 H new ATOM 756 N SER A 53 -6.733 -3.851 3.881 1.00 -0.46 N ATOM 757 CA SER A 53 -7.141 -3.796 5.286 1.00 0.04 C ATOM 758 C SER A 53 -6.394 -2.713 6.049 1.00 0.62 C ATOM 759 O SER A 53 -7.004 -2.086 6.901 1.00 -0.50 O ATOM 760 CB SER A 53 -6.933 -5.180 5.963 1.00 0.02 C ATOM 761 OG SER A 53 -5.639 -5.740 5.667 1.00 -0.55 O ATOM 0 H SER A 53 -6.185 -4.671 3.619 1.00 -0.46 H new ATOM 0 HA SER A 53 -8.201 -3.543 5.312 1.00 0.04 H new ATOM 0 HB2 SER A 53 -7.044 -5.075 7.042 1.00 0.02 H new ATOM 0 HB3 SER A 53 -7.710 -5.867 5.628 1.00 0.02 H new ATOM 0 HG SER A 53 -5.070 -5.053 5.261 1.00 -0.55 H new ATOM 767 N ALA A 54 -5.088 -2.462 5.789 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.368 -1.451 6.568 1.00 0.04 C ATOM 769 C ALA A 54 -4.980 -0.081 6.331 1.00 0.62 C ATOM 770 O ALA A 54 -5.244 0.637 7.283 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.854 -1.422 6.223 1.00 -0.10 C ATOM 0 H ALA A 54 -4.536 -2.931 5.071 1.00 -0.46 H new ATOM 0 HA ALA A 54 -4.461 -1.718 7.621 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.359 -0.659 6.823 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -2.413 -2.395 6.438 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.726 -1.192 5.165 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.232 0.302 5.055 1.00 -0.46 N ATOM 778 CA ALA A 55 -5.897 1.578 4.784 1.00 0.04 C ATOM 779 C ALA A 55 -7.311 1.488 5.323 1.00 0.62 C ATOM 780 O ALA A 55 -7.726 2.384 6.042 1.00 -0.50 O ATOM 781 CB ALA A 55 -5.865 1.989 3.277 1.00 -0.10 C ATOM 0 H ALA A 55 -4.989 -0.243 4.228 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.351 2.374 5.290 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -6.376 2.944 3.149 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -4.830 2.084 2.948 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -6.367 1.227 2.681 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.078 0.416 5.015 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.424 0.286 5.576 1.00 0.04 C ATOM 789 C GLY A 56 -9.371 0.059 7.075 1.00 0.62 C ATOM 790 O GLY A 56 -9.614 -1.054 7.513 1.00 -0.50 O ATOM 0 H GLY A 56 -7.791 -0.345 4.399 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -9.999 1.187 5.362 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.942 -0.545 5.097 1.00 0.04 H new ATOM 794 N ALA A 57 -9.056 1.112 7.867 1.00 -0.46 N ATOM 795 CA ALA A 57 -8.914 0.971 9.323 1.00 0.04 C ATOM 796 C ALA A 57 -8.659 2.334 9.947 1.00 0.62 C ATOM 797 O ALA A 57 -9.360 2.741 10.862 1.00 -0.50 O ATOM 798 CB ALA A 57 -7.749 0.017 9.714 1.00 -0.10 C ATOM 0 H ALA A 57 -8.898 2.058 7.519 1.00 -0.46 H new ATOM 0 HA ALA A 57 -9.844 0.541 9.696 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -7.685 -0.054 10.800 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.933 -0.973 9.296 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -6.811 0.408 9.320 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.643 3.061 9.420 1.00 -0.46 N ATOM 805 CA ILE A 58 -7.351 4.429 9.857 1.00 0.04 C ATOM 806 C ILE A 58 -8.639 5.222 10.010 1.00 0.62 C ATOM 807 O ILE A 58 -9.463 5.150 9.113 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.450 5.146 8.798 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -5.106 4.428 8.422 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.203 6.637 9.190 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.404 3.746 9.623 1.00 -0.09 C ATOM 0 H ILE A 58 -7.018 2.714 8.692 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.835 4.378 10.816 1.00 0.04 H new ATOM 0 HB ILE A 58 -7.035 5.094 7.880 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -5.307 3.678 7.657 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.426 5.157 7.982 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.574 7.112 8.437 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.157 7.161 9.248 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -5.705 6.681 10.159 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.483 3.272 9.285 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.170 4.494 10.380 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -5.065 2.992 10.050 1.00 -0.09 H new ATOM 823 N SER A 59 -8.847 5.990 11.110 1.00 -0.46 N ATOM 824 CA SER A 59 -10.090 6.755 11.253 1.00 0.04 C ATOM 825 C SER A 59 -10.054 8.026 10.431 1.00 0.62 C ATOM 826 O SER A 59 -10.960 8.240 9.640 1.00 -0.50 O ATOM 827 CB SER A 59 -10.392 7.119 12.731 1.00 0.02 C ATOM 828 OG SER A 59 -11.595 7.903 12.840 1.00 -0.55 O ATOM 0 H SER A 59 -8.188 6.088 11.882 1.00 -0.46 H new ATOM 0 HA SER A 59 -10.885 6.106 10.886 1.00 0.04 H new ATOM 0 HB2 SER A 59 -10.495 6.207 13.319 1.00 0.02 H new ATOM 0 HB3 SER A 59 -9.553 7.675 13.150 1.00 0.02 H new ATOM 0 HG SER A 59 -11.762 8.117 13.782 1.00 -0.55 H new ATOM 834 N GLY A 60 -9.019 8.892 10.569 1.00 -0.46 N ATOM 835 CA GLY A 60 -8.965 10.123 9.769 1.00 0.04 C ATOM 836 C GLY A 60 -8.385 9.896 8.388 1.00 0.62 C ATOM 837 O GLY A 60 -7.578 10.699 7.952 1.00 -0.50 O ATOM 0 H GLY A 60 -8.236 8.760 11.209 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -9.970 10.534 9.674 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -8.365 10.867 10.293 1.00 0.04 H new ATOM 841 N ILE A 61 -8.786 8.821 7.673 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.229 8.536 6.347 1.00 0.04 C ATOM 843 C ILE A 61 -8.837 9.449 5.305 1.00 0.62 C ATOM 844 O ILE A 61 -10.042 9.630 5.354 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.410 7.036 5.920 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.663 6.739 4.585 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.890 6.550 5.829 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.617 5.235 4.192 1.00 -0.09 C ATOM 0 H ILE A 61 -9.484 8.149 7.993 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.157 8.724 6.414 1.00 0.04 H new ATOM 0 HB ILE A 61 -7.963 6.463 6.732 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -8.145 7.297 3.782 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.642 7.112 4.664 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.911 5.503 5.527 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -10.369 6.657 6.802 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.426 7.150 5.093 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.079 5.121 3.251 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -7.107 4.670 4.972 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.633 4.858 4.077 1.00 -0.09 H new ATOM 860 N ASN A 62 -8.052 10.017 4.353 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.641 10.740 3.224 1.00 0.04 C ATOM 862 C ASN A 62 -8.538 9.836 2.012 1.00 0.62 C ATOM 863 O ASN A 62 -7.425 9.485 1.649 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.912 12.074 2.912 1.00 -0.09 C ATOM 865 CG ASN A 62 -8.426 12.700 1.631 1.00 0.68 C ATOM 866 OD1 ASN A 62 -9.497 12.341 1.165 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.689 13.645 1.012 1.00 -0.87 N ATOM 0 H ASN A 62 -7.033 9.984 4.353 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.671 10.993 3.476 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -8.052 12.769 3.740 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.841 11.893 2.826 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -8.024 14.067 0.146 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -6.796 13.937 1.410 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.659 9.450 1.360 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.554 8.558 0.206 1.00 0.04 C ATOM 876 C LEU A 63 -8.665 9.183 -0.852 1.00 0.62 C ATOM 877 O LEU A 63 -7.820 8.483 -1.387 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.955 8.223 -0.391 1.00 -0.06 C ATOM 879 CG LEU A 63 -10.921 7.243 -1.609 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -10.602 5.770 -1.202 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -12.289 7.288 -2.354 1.00 -0.11 C ATOM 0 H LEU A 63 -10.607 9.734 1.608 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.109 7.622 0.544 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.576 7.788 0.392 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.436 9.151 -0.700 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.114 7.577 -2.261 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -10.593 5.140 -2.092 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -9.626 5.729 -0.719 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -11.364 5.410 -0.511 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -12.264 6.604 -3.203 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -13.085 6.990 -1.672 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -12.476 8.301 -2.710 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.821 10.489 -1.174 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.958 11.085 -2.193 1.00 0.04 C ATOM 895 C GLY A 64 -6.494 10.872 -1.877 1.00 0.62 C ATOM 896 O GLY A 64 -5.724 10.594 -2.784 1.00 -0.50 O ATOM 0 H GLY A 64 -9.508 11.118 -0.758 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.188 10.650 -3.165 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.164 12.153 -2.265 1.00 0.04 H new ATOM 900 N LYS A 65 -6.083 11.003 -0.595 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.676 10.796 -0.257 1.00 0.04 C ATOM 902 C LYS A 65 -4.348 9.323 -0.349 1.00 0.62 C ATOM 903 O LYS A 65 -3.288 8.994 -0.857 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.337 11.359 1.149 1.00 -0.10 C ATOM 905 CG LYS A 65 -2.801 11.463 1.411 1.00 -0.16 C ATOM 906 CD LYS A 65 -2.402 12.797 2.110 1.00 -0.18 C ATOM 907 CE LYS A 65 -2.392 13.993 1.110 1.00 -0.04 C ATOM 908 NZ LYS A 65 -2.008 15.260 1.773 1.00 -0.14 N ATOM 0 H LYS A 65 -6.689 11.243 0.190 1.00 -0.46 H new ATOM 0 HA LYS A 65 -4.062 11.343 -0.972 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.786 12.346 1.257 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -4.787 10.720 1.908 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -2.484 10.624 2.030 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -2.268 11.380 0.464 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -3.101 13.006 2.920 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -1.415 12.691 2.560 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -1.696 13.782 0.298 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -3.380 14.101 0.663 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -2.078 16.043 1.092 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -2.646 15.440 2.575 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -1.030 15.188 2.118 1.00 -0.14 H new ATOM 922 N ALA A 66 -5.242 8.416 0.112 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.982 6.986 -0.074 1.00 0.04 C ATOM 924 C ALA A 66 -4.807 6.676 -1.546 1.00 0.62 C ATOM 925 O ALA A 66 -3.833 6.029 -1.897 1.00 -0.50 O ATOM 926 CB ALA A 66 -6.033 6.040 0.588 1.00 -0.10 C ATOM 0 H ALA A 66 -6.111 8.644 0.594 1.00 -0.46 H new ATOM 0 HA ALA A 66 -4.054 6.777 0.458 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.759 5.002 0.398 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.057 6.218 1.663 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -7.018 6.238 0.166 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.715 7.138 -2.433 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.536 6.867 -3.860 1.00 0.04 C ATOM 934 C ALA A 67 -4.393 7.684 -4.436 1.00 0.62 C ATOM 935 O ALA A 67 -3.853 7.282 -5.455 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.845 7.032 -4.686 1.00 -0.10 C ATOM 0 H ALA A 67 -6.546 7.679 -2.192 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.269 5.814 -3.943 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.643 6.817 -5.735 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.600 6.341 -4.313 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.210 8.055 -4.589 1.00 -0.10 H new ATOM 942 N GLY A 68 -3.998 8.820 -3.807 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.809 9.559 -4.242 1.00 0.04 C ATOM 944 C GLY A 68 -1.519 9.019 -3.661 1.00 0.62 C ATOM 945 O GLY A 68 -0.466 9.380 -4.164 1.00 -0.50 O ATOM 0 H GLY A 68 -4.484 9.231 -3.010 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.749 9.529 -5.330 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.917 10.606 -3.958 1.00 0.04 H new ATOM 949 N LEU A 69 -1.535 8.182 -2.598 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.277 7.729 -2.005 1.00 0.04 C ATOM 951 C LEU A 69 0.604 7.013 -3.016 1.00 0.62 C ATOM 952 O LEU A 69 1.783 7.334 -3.063 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.531 6.935 -0.685 1.00 -0.06 C ATOM 954 CG LEU A 69 0.729 6.199 -0.152 1.00 -0.01 C ATOM 955 CD1 LEU A 69 1.748 7.237 0.373 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.315 5.233 0.993 1.00 -0.11 C ATOM 0 H LEU A 69 -2.379 7.822 -2.153 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.302 8.604 -1.711 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.891 7.623 0.080 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -1.323 6.206 -0.856 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.188 5.625 -0.956 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.632 6.721 0.747 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 2.034 7.908 -0.437 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.296 7.815 1.180 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 1.197 4.715 1.369 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 -0.144 5.802 1.801 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 -0.400 4.503 0.613 1.00 -0.11 H new ATOM 968 N PRO A 70 0.125 6.056 -3.852 1.00 -0.23 N ATOM 969 CA PRO A 70 0.966 5.486 -4.897 1.00 0.04 C ATOM 970 C PRO A 70 1.439 6.535 -5.863 1.00 0.53 C ATOM 971 O PRO A 70 2.594 6.518 -6.246 1.00 -0.50 O ATOM 972 CB PRO A 70 -0.040 4.560 -5.630 1.00 -0.12 C ATOM 973 CG PRO A 70 -1.032 4.245 -4.495 1.00 -0.12 C ATOM 974 CD PRO A 70 -1.244 5.591 -3.789 1.00 -0.01 C ATOM 0 HA PRO A 70 1.861 5.002 -4.505 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -0.521 5.058 -6.472 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.437 3.662 -6.022 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.970 3.849 -4.885 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -0.630 3.497 -3.812 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.942 6.244 -4.314 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -1.613 5.485 -2.769 1.00 -0.01 H new ATOM 982 N SER A 71 0.548 7.461 -6.279 1.00 -0.46 N ATOM 983 CA SER A 71 0.961 8.478 -7.238 1.00 0.04 C ATOM 984 C SER A 71 2.090 9.287 -6.644 1.00 0.62 C ATOM 985 O SER A 71 3.058 9.582 -7.328 1.00 -0.50 O ATOM 986 CB SER A 71 -0.252 9.389 -7.563 1.00 0.02 C ATOM 987 OG SER A 71 -1.444 8.591 -7.679 1.00 -0.55 O ATOM 0 H SER A 71 -0.423 7.517 -5.973 1.00 -0.46 H new ATOM 0 HA SER A 71 1.309 8.012 -8.160 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.378 10.136 -6.779 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.074 9.930 -8.492 1.00 0.02 H new ATOM 0 HG SER A 71 -2.207 9.171 -7.883 1.00 -0.55 H new ATOM 993 N THR A 72 1.975 9.647 -5.344 1.00 -0.46 N ATOM 994 CA THR A 72 3.032 10.421 -4.694 1.00 0.04 C ATOM 995 C THR A 72 4.267 9.550 -4.667 1.00 0.62 C ATOM 996 O THR A 72 5.333 9.986 -5.072 1.00 -0.50 O ATOM 997 CB THR A 72 2.705 10.885 -3.241 1.00 0.17 C ATOM 998 OG1 THR A 72 1.456 11.599 -3.164 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.798 11.863 -2.734 1.00 -0.19 C ATOM 0 H THR A 72 1.180 9.417 -4.747 1.00 -0.46 H new ATOM 0 HA THR A 72 3.163 11.339 -5.267 1.00 0.04 H new ATOM 0 HB THR A 72 2.654 9.979 -2.638 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.725 11.010 -3.443 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.560 12.180 -1.719 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.766 11.362 -2.740 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.837 12.735 -3.387 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.133 8.290 -4.190 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.242 7.342 -4.256 1.00 0.04 C ATOM 1009 C CYS A 73 5.150 6.608 -5.573 1.00 0.62 C ATOM 1010 O CYS A 73 4.898 5.416 -5.551 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.157 6.366 -3.053 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.254 7.278 -1.479 1.00 0.82 S ATOM 0 H CYS A 73 3.281 7.923 -3.766 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.203 7.854 -4.200 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.223 5.806 -3.098 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 5.968 5.640 -3.109 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.337 7.303 -6.718 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.200 6.650 -8.020 1.00 0.04 C ATOM 1019 C GLY A 74 5.785 5.252 -8.046 1.00 0.62 C ATOM 1020 O GLY A 74 7.001 5.144 -8.006 1.00 -0.50 O ATOM 0 H GLY A 74 5.578 8.293 -6.759 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.144 6.601 -8.286 1.00 0.04 H new ATOM 0 HA3 GLY A 74 5.692 7.258 -8.779 1.00 0.04 H new ATOM 1024 N VAL A 75 4.958 4.179 -8.115 1.00 -0.46 N ATOM 1025 CA VAL A 75 5.501 2.820 -8.180 1.00 0.04 C ATOM 1026 C VAL A 75 4.629 1.928 -9.048 1.00 0.62 C ATOM 1027 O VAL A 75 3.458 2.228 -9.223 1.00 -0.50 O ATOM 1028 CB VAL A 75 5.685 2.170 -6.778 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 6.850 2.782 -5.952 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.359 2.176 -5.962 1.00 -0.09 C ATOM 0 H VAL A 75 3.940 4.235 -8.126 1.00 -0.46 H new ATOM 0 HA VAL A 75 6.490 2.912 -8.628 1.00 0.04 H new ATOM 0 HB VAL A 75 5.964 1.135 -6.975 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 6.916 2.278 -4.988 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 7.787 2.653 -6.494 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 6.665 3.845 -5.794 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.528 1.714 -4.989 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.023 3.203 -5.822 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 3.597 1.615 -6.503 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.187 0.821 -9.599 1.00 -0.46 N ATOM 1041 CA ASN A 76 4.430 -0.040 -10.513 1.00 0.04 C ATOM 1042 C ASN A 76 3.551 -1.016 -9.763 1.00 0.62 C ATOM 1043 O ASN A 76 3.768 -2.214 -9.864 1.00 -0.50 O ATOM 1044 CB ASN A 76 5.406 -0.770 -11.478 1.00 -0.09 C ATOM 1045 CG ASN A 76 6.396 -1.629 -10.722 1.00 0.68 C ATOM 1046 OD1 ASN A 76 7.137 -1.087 -9.919 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 6.451 -2.960 -10.939 1.00 -0.87 N ATOM 0 H ASN A 76 6.144 0.515 -9.424 1.00 -0.46 H new ATOM 0 HA ASN A 76 3.762 0.586 -11.105 1.00 0.04 H new ATOM 0 HB2 ASN A 76 4.838 -1.392 -12.170 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 5.944 -0.035 -12.077 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 7.122 -3.533 -10.427 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 5.822 -3.393 -11.615 1.00 -0.87 H new ATOM 1054 N ILE A 77 2.540 -0.512 -9.013 1.00 -0.46 N ATOM 1055 CA ILE A 77 1.626 -1.393 -8.276 1.00 0.04 C ATOM 1056 C ILE A 77 0.298 -1.512 -9.006 1.00 0.62 C ATOM 1057 O ILE A 77 -0.207 -0.475 -9.408 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.424 -0.949 -6.793 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 0.806 0.480 -6.626 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 2.736 -1.206 -5.991 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 0.459 0.839 -5.152 1.00 -0.09 C ATOM 0 H ILE A 77 2.346 0.484 -8.909 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.091 -2.378 -8.236 1.00 0.04 H new ATOM 0 HB ILE A 77 0.648 -1.573 -6.350 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 1.507 1.218 -7.016 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 -0.098 0.549 -7.231 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.596 -0.896 -4.955 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 2.980 -2.268 -6.022 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.551 -0.634 -6.434 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.035 1.843 -5.112 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 -0.266 0.123 -4.764 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 1.364 0.803 -4.546 1.00 -0.09 H new ATOM 1073 N PRO A 78 -0.333 -2.700 -9.221 1.00 -0.23 N ATOM 1074 CA PRO A 78 -1.633 -2.742 -9.882 1.00 0.04 C ATOM 1075 C PRO A 78 -2.777 -2.564 -8.900 1.00 0.53 C ATOM 1076 O PRO A 78 -3.657 -3.408 -8.845 1.00 -0.50 O ATOM 1077 CB PRO A 78 -1.543 -4.170 -10.481 1.00 -0.12 C ATOM 1078 CG PRO A 78 -0.766 -4.971 -9.411 1.00 -0.12 C ATOM 1079 CD PRO A 78 0.296 -3.970 -8.904 1.00 -0.01 C ATOM 0 HA PRO A 78 -1.832 -1.954 -10.608 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -2.532 -4.593 -10.657 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -1.021 -4.170 -11.438 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -1.421 -5.303 -8.605 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -0.305 -5.863 -9.835 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 0.486 -4.079 -7.836 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 1.252 -4.093 -9.412 1.00 -0.01 H new ATOM 1087 N TYR A 79 -2.780 -1.464 -8.111 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.868 -1.194 -7.163 1.00 0.04 C ATOM 1089 C TYR A 79 -3.632 0.156 -6.519 1.00 0.62 C ATOM 1090 O TYR A 79 -2.465 0.470 -6.354 1.00 -0.50 O ATOM 1091 CB TYR A 79 -4.006 -2.260 -6.040 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.695 -2.498 -5.269 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -1.664 -3.280 -5.821 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -2.503 -1.978 -3.985 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -0.509 -3.565 -5.101 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -1.310 -2.182 -3.308 1.00 -0.26 C ATOM 1097 CZ TYR A 79 -0.281 -2.952 -3.864 1.00 0.46 C ATOM 1098 OH TYR A 79 0.924 -3.092 -3.176 1.00 -0.53 O ATOM 0 H TYR A 79 -2.043 -0.758 -8.117 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.794 -1.219 -7.738 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.780 -1.944 -5.340 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -4.338 -3.201 -6.479 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.772 -3.667 -6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.293 -1.411 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.214 -4.262 -5.498 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -1.172 -1.738 -2.333 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.089 -2.289 -2.639 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.662 0.965 -6.162 1.00 -0.46 N ATOM 1109 CA LYS A 80 -4.391 2.302 -5.614 1.00 0.04 C ATOM 1110 C LYS A 80 -4.505 2.355 -4.095 1.00 0.62 C ATOM 1111 O LYS A 80 -4.853 3.387 -3.546 1.00 -0.50 O ATOM 1112 CB LYS A 80 -5.268 3.388 -6.298 1.00 -0.10 C ATOM 1113 CG LYS A 80 -4.963 3.490 -7.821 1.00 -0.16 C ATOM 1114 CD LYS A 80 -6.083 4.283 -8.553 1.00 -0.18 C ATOM 1115 CE LYS A 80 -5.812 4.358 -10.084 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -6.984 4.909 -10.806 1.00 -0.14 N ATOM 0 H LYS A 80 -5.649 0.721 -6.242 1.00 -0.46 H new ATOM 0 HA LYS A 80 -3.350 2.525 -5.847 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -6.322 3.152 -6.152 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -5.089 4.353 -5.824 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -4.003 3.983 -7.973 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -4.879 2.491 -8.248 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -7.046 3.805 -8.375 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -6.146 5.291 -8.143 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -4.938 4.982 -10.272 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -5.581 3.363 -10.465 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -6.777 4.948 -11.824 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -7.810 4.298 -10.644 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -7.188 5.867 -10.457 1.00 -0.14 H new ATOM 1130 N ILE A 81 -4.224 1.241 -3.382 1.00 -0.46 N ATOM 1131 CA ILE A 81 -4.351 1.219 -1.919 1.00 0.04 C ATOM 1132 C ILE A 81 -5.700 1.757 -1.478 1.00 0.62 C ATOM 1133 O ILE A 81 -5.780 2.472 -0.491 1.00 -0.50 O ATOM 1134 CB ILE A 81 -3.161 1.933 -1.200 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.816 1.494 -1.850 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -3.194 1.661 0.341 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.561 2.243 -1.321 1.00 -0.09 C ATOM 0 H ILE A 81 -3.913 0.361 -3.794 1.00 -0.46 H new ATOM 0 HA ILE A 81 -4.299 0.175 -1.609 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.257 3.011 -1.327 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.680 0.425 -1.684 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.884 1.644 -2.928 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.356 2.169 0.818 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -4.129 2.036 0.757 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -3.120 0.589 0.523 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.327 1.870 -1.831 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -0.668 3.311 -1.511 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -0.461 2.074 -0.249 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.782 1.417 -2.215 1.00 -0.46 N ATOM 1150 CA SER A 82 -8.119 1.867 -1.823 1.00 0.04 C ATOM 1151 C SER A 82 -8.779 0.779 -0.997 1.00 0.62 C ATOM 1152 O SER A 82 -8.747 -0.346 -1.475 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.998 2.152 -3.064 1.00 0.02 C ATOM 1154 OG SER A 82 -10.353 2.400 -2.641 1.00 -0.55 O ATOM 0 H SER A 82 -6.750 0.848 -3.061 1.00 -0.46 H new ATOM 0 HA SER A 82 -8.020 2.787 -1.248 1.00 0.04 H new ATOM 0 HB2 SER A 82 -8.611 3.014 -3.608 1.00 0.02 H new ATOM 0 HB3 SER A 82 -8.968 1.304 -3.748 1.00 0.02 H new ATOM 0 HG SER A 82 -10.912 2.582 -3.425 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.395 1.004 0.197 1.00 -0.23 N ATOM 1161 CA PRO A 83 -10.080 -0.086 0.878 1.00 0.04 C ATOM 1162 C PRO A 83 -11.066 -0.836 0.005 1.00 0.53 C ATOM 1163 O PRO A 83 -11.270 -2.023 0.204 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.868 0.706 1.951 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.966 1.925 2.227 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.443 2.317 0.823 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.389 -0.853 1.230 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.851 1.007 1.588 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -11.029 0.113 2.851 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.524 2.740 2.689 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -9.149 1.674 2.903 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -10.114 3.002 0.304 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.465 2.797 0.861 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.712 -0.147 -0.964 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.732 -0.799 -1.786 1.00 0.04 C ATOM 1176 C SER A 84 -12.177 -1.544 -2.985 1.00 0.62 C ATOM 1177 O SER A 84 -12.953 -2.242 -3.618 1.00 -0.50 O ATOM 1178 CB SER A 84 -13.726 0.290 -2.270 1.00 0.02 C ATOM 1179 OG SER A 84 -14.035 1.195 -1.195 1.00 -0.55 O ATOM 0 H SER A 84 -11.544 0.835 -1.185 1.00 -0.46 H new ATOM 0 HA SER A 84 -13.217 -1.552 -1.165 1.00 0.04 H new ATOM 0 HB2 SER A 84 -13.294 0.841 -3.106 1.00 0.02 H new ATOM 0 HB3 SER A 84 -14.640 -0.178 -2.635 1.00 0.02 H new ATOM 0 HG SER A 84 -14.661 1.878 -1.513 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.876 -1.428 -3.346 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.371 -2.112 -4.547 1.00 0.04 C ATOM 1187 C THR A 85 -10.078 -3.563 -4.226 1.00 0.62 C ATOM 1188 O THR A 85 -9.202 -3.798 -3.410 1.00 -0.50 O ATOM 1189 CB THR A 85 -9.070 -1.442 -5.089 1.00 0.17 C ATOM 1190 OG1 THR A 85 -9.360 -0.122 -5.586 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -8.326 -2.240 -6.202 1.00 -0.19 C ATOM 0 H THR A 85 -10.181 -0.883 -2.836 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.142 -2.040 -5.314 1.00 0.04 H new ATOM 0 HB THR A 85 -8.398 -1.412 -4.231 1.00 0.17 H new ATOM 0 HG1 THR A 85 -8.533 0.403 -5.622 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -7.436 -1.691 -6.511 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -8.034 -3.217 -5.816 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -8.987 -2.371 -7.059 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.751 -4.550 -4.867 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.373 -5.948 -4.657 1.00 0.04 C ATOM 1201 C ASP A 86 -9.087 -6.241 -5.404 1.00 0.62 C ATOM 1202 O ASP A 86 -9.020 -5.946 -6.587 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.459 -6.925 -5.191 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.993 -8.357 -5.146 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.569 -8.832 -4.053 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -11.038 -9.039 -6.203 1.00 -0.72 O ATOM 0 H ASP A 86 -11.529 -4.402 -5.509 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.254 -6.095 -3.583 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -12.367 -6.819 -4.597 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.716 -6.658 -6.216 1.00 -0.40 H new ATOM 1211 N CYS A 87 -8.066 -6.837 -4.748 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.883 -7.283 -5.482 1.00 0.04 C ATOM 1213 C CYS A 87 -6.361 -8.572 -4.872 1.00 0.62 C ATOM 1214 O CYS A 87 -5.155 -8.741 -4.794 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.914 -6.066 -5.597 1.00 -0.10 C ATOM 1216 SG CYS A 87 -4.197 -6.494 -6.051 1.00 0.82 S ATOM 0 H CYS A 87 -8.044 -7.012 -3.743 1.00 -0.46 H new ATOM 0 HA CYS A 87 -7.077 -7.577 -6.514 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -6.310 -5.374 -6.340 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -5.902 -5.538 -4.644 1.00 -0.10 H new