USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= 0.937 K(o=1.9,f=-10!) USER MOD Set 1.2: A 13 THR OG1 : rot 69:sc= 0.95 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-5.3!) USER MOD Single : A 6 GLN : amide:sc= -2.59 K(o=-2.6,f=-13!) USER MOD Single : A 7 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A 8 SER OG : rot -36:sc= 1.02 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 23 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 25 TYR OH : rot 76:sc= 0.431 USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 0.31 (180deg=0.146) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.828 K(o=0.83,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.65 K(o=-2.6,f=-3.3!) USER MOD Single : A 56 THR OG1 : rot 55:sc= 0.31 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 61 ASN : amide:sc= -4.56 K(o=-4.6,f=-12!) USER MOD Single : A 62 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.551 13.089 2.250 1.00 0.00 N ATOM 2 CA LEU A 1 1.130 12.341 1.037 1.00 0.00 C ATOM 3 C LEU A 1 -0.256 11.733 1.217 1.00 0.00 C ATOM 4 O LEU A 1 -0.543 11.109 2.239 1.00 0.00 O ATOM 5 CB LEU A 1 2.157 11.240 0.762 1.00 0.00 C ATOM 6 CG LEU A 1 2.035 10.568 -0.606 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.519 11.503 -1.705 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.820 9.265 -0.630 1.00 0.00 C ATOM 0 H1 LEU A 1 2.498 13.492 2.098 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.874 13.856 2.437 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.576 12.443 3.065 1.00 0.00 H new ATOM 0 HA LEU A 1 1.080 13.029 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.156 11.666 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.064 10.477 1.534 1.00 0.00 H new ATOM 0 HG LEU A 1 0.984 10.341 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.425 11.008 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.916 12.411 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.563 11.761 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.723 8.800 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.871 9.470 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.429 8.591 0.132 1.00 0.00 H new ATOM 22 N GLU A 2 -1.115 11.920 0.219 1.00 0.00 N ATOM 23 CA GLU A 2 -2.472 11.390 0.269 1.00 0.00 C ATOM 24 C GLU A 2 -2.582 10.104 -0.544 1.00 0.00 C ATOM 25 O GLU A 2 -2.338 10.097 -1.750 1.00 0.00 O ATOM 26 CB GLU A 2 -3.467 12.428 -0.255 1.00 0.00 C ATOM 27 CG GLU A 2 -4.120 13.253 0.842 1.00 0.00 C ATOM 28 CD GLU A 2 -4.924 14.417 0.296 1.00 0.00 C ATOM 29 OE1 GLU A 2 -6.022 14.174 -0.248 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.456 15.569 0.411 1.00 0.00 O ATOM 0 H GLU A 2 -0.894 12.435 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.710 11.163 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.952 13.098 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.243 11.919 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.773 12.612 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.350 13.632 1.514 1.00 0.00 H new ATOM 37 N CYS A 3 -2.951 9.016 0.125 1.00 0.00 N ATOM 38 CA CYS A 3 -3.094 7.725 -0.536 1.00 0.00 C ATOM 39 C CYS A 3 -4.418 7.066 -0.167 1.00 0.00 C ATOM 40 O CYS A 3 -5.197 7.607 0.617 1.00 0.00 O ATOM 41 CB CYS A 3 -1.933 6.805 -0.158 1.00 0.00 C ATOM 42 SG CYS A 3 -0.441 7.032 -1.178 1.00 0.00 S ATOM 0 H CYS A 3 -3.156 9.003 1.124 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.081 7.894 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.675 6.975 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.262 5.769 -0.241 1.00 0.00 H new ATOM 47 N HIS A 4 -4.667 5.893 -0.740 1.00 0.00 N ATOM 48 CA HIS A 4 -5.891 5.156 -0.478 1.00 0.00 C ATOM 49 C HIS A 4 -5.792 4.384 0.834 1.00 0.00 C ATOM 50 O HIS A 4 -4.696 4.096 1.314 1.00 0.00 O ATOM 51 CB HIS A 4 -6.172 4.197 -1.632 1.00 0.00 C ATOM 52 CG HIS A 4 -6.609 4.884 -2.887 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.876 5.400 -3.063 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.937 5.144 -4.034 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.965 5.946 -4.264 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.802 5.803 -4.872 1.00 0.00 N ATOM 0 H HIS A 4 -4.031 5.433 -1.392 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.712 5.868 -0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.273 3.617 -1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.944 3.490 -1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.627 5.366 -2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.912 4.882 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.840 6.427 -4.677 1.00 0.00 H new ATOM 65 N ASN A 5 -6.943 4.050 1.408 1.00 0.00 N ATOM 66 CA ASN A 5 -6.984 3.311 2.664 1.00 0.00 C ATOM 67 C ASN A 5 -7.898 2.096 2.553 1.00 0.00 C ATOM 68 O ASN A 5 -7.556 1.004 3.007 1.00 0.00 O ATOM 69 CB ASN A 5 -7.460 4.219 3.800 1.00 0.00 C ATOM 70 CG ASN A 5 -8.706 4.985 3.445 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.246 4.854 2.346 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.169 5.795 4.381 1.00 0.00 N ATOM 0 H ASN A 5 -7.859 4.279 1.023 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.974 2.964 2.884 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.650 3.615 4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.667 4.921 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.010 6.346 4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.686 5.869 5.276 1.00 0.00 H new ATOM 79 N GLN A 6 -9.061 2.295 1.947 1.00 0.00 N ATOM 80 CA GLN A 6 -10.029 1.218 1.774 1.00 0.00 C ATOM 81 C GLN A 6 -9.456 0.105 0.901 1.00 0.00 C ATOM 82 O GLN A 6 -8.498 0.318 0.157 1.00 0.00 O ATOM 83 CB GLN A 6 -11.317 1.758 1.150 1.00 0.00 C ATOM 84 CG GLN A 6 -12.577 1.110 1.703 1.00 0.00 C ATOM 85 CD GLN A 6 -13.245 0.186 0.703 1.00 0.00 C ATOM 86 OE1 GLN A 6 -12.606 -0.699 0.134 1.00 0.00 O ATOM 87 NE2 GLN A 6 -14.539 0.389 0.483 1.00 0.00 N ATOM 0 H GLN A 6 -9.358 3.193 1.566 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.254 0.805 2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.368 2.834 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.282 1.603 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.327 0.546 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.281 1.888 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.029 1.135 0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.042 -0.201 -0.180 1.00 0.00 H new ATOM 96 N GLN A 7 -10.047 -1.082 0.999 1.00 0.00 N ATOM 97 CA GLN A 7 -9.594 -2.228 0.220 1.00 0.00 C ATOM 98 C GLN A 7 -10.728 -3.227 0.013 1.00 0.00 C ATOM 99 O GLN A 7 -11.833 -3.042 0.523 1.00 0.00 O ATOM 100 CB GLN A 7 -8.419 -2.912 0.919 1.00 0.00 C ATOM 101 CG GLN A 7 -8.689 -3.245 2.377 1.00 0.00 C ATOM 102 CD GLN A 7 -7.748 -2.527 3.325 1.00 0.00 C ATOM 103 OE1 GLN A 7 -7.210 -1.468 3.001 1.00 0.00 O ATOM 104 NE2 GLN A 7 -7.542 -3.104 4.503 1.00 0.00 N ATOM 0 H GLN A 7 -10.840 -1.275 1.610 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.268 -1.867 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.174 -3.830 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.544 -2.264 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.717 -2.979 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.594 -4.321 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.009 -3.982 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.917 -2.669 5.181 1.00 0.00 H new ATOM 113 N SER A 8 -10.446 -4.287 -0.739 1.00 0.00 N ATOM 114 CA SER A 8 -11.442 -5.318 -1.013 1.00 0.00 C ATOM 115 C SER A 8 -12.710 -4.713 -1.609 1.00 0.00 C ATOM 116 O SER A 8 -13.808 -5.238 -1.420 1.00 0.00 O ATOM 117 CB SER A 8 -11.781 -6.081 0.268 1.00 0.00 C ATOM 118 OG SER A 8 -12.715 -5.364 1.057 1.00 0.00 O ATOM 0 H SER A 8 -9.536 -4.454 -1.169 1.00 0.00 H new ATOM 0 HA SER A 8 -11.018 -6.010 -1.741 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.189 -7.059 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.872 -6.254 0.843 1.00 0.00 H new ATOM 0 HG SER A 8 -12.535 -4.403 0.984 1.00 0.00 H new ATOM 124 N SER A 9 -12.552 -3.605 -2.327 1.00 0.00 N ATOM 125 CA SER A 9 -13.686 -2.931 -2.947 1.00 0.00 C ATOM 126 C SER A 9 -13.214 -1.877 -3.944 1.00 0.00 C ATOM 127 O SER A 9 -12.247 -1.158 -3.692 1.00 0.00 O ATOM 128 CB SER A 9 -14.566 -2.281 -1.879 1.00 0.00 C ATOM 129 OG SER A 9 -15.770 -1.785 -2.441 1.00 0.00 O ATOM 0 H SER A 9 -11.651 -3.156 -2.493 1.00 0.00 H new ATOM 0 HA SER A 9 -14.271 -3.678 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.797 -3.009 -1.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.022 -1.466 -1.401 1.00 0.00 H new ATOM 0 HG SER A 9 -16.315 -1.376 -1.737 1.00 0.00 H new ATOM 135 N GLN A 10 -13.905 -1.790 -5.076 1.00 0.00 N ATOM 136 CA GLN A 10 -13.560 -0.826 -6.111 1.00 0.00 C ATOM 137 C GLN A 10 -13.906 0.593 -5.672 1.00 0.00 C ATOM 138 O GLN A 10 -14.768 0.796 -4.817 1.00 0.00 O ATOM 139 CB GLN A 10 -14.298 -1.168 -7.406 1.00 0.00 C ATOM 140 CG GLN A 10 -13.662 -2.307 -8.185 1.00 0.00 C ATOM 141 CD GLN A 10 -13.958 -2.236 -9.670 1.00 0.00 C ATOM 142 OE1 GLN A 10 -13.181 -1.676 -10.444 1.00 0.00 O ATOM 143 NE2 GLN A 10 -15.088 -2.804 -10.076 1.00 0.00 N ATOM 0 H GLN A 10 -14.709 -2.377 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.485 -0.877 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -15.328 -1.432 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.334 -0.281 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.583 -2.288 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.023 -3.257 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.703 -3.257 -9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.341 -2.787 -11.064 1.00 0.00 H new ATOM 152 N THR A 11 -13.228 1.573 -6.263 1.00 0.00 N ATOM 153 CA THR A 11 -13.464 2.974 -5.935 1.00 0.00 C ATOM 154 C THR A 11 -13.279 3.224 -4.438 1.00 0.00 C ATOM 155 O THR A 11 -14.208 3.649 -3.751 1.00 0.00 O ATOM 156 CB THR A 11 -14.871 3.387 -6.369 1.00 0.00 C ATOM 157 OG1 THR A 11 -15.035 3.219 -7.765 1.00 0.00 O ATOM 158 CG2 THR A 11 -15.205 4.827 -6.038 1.00 0.00 C ATOM 0 H THR A 11 -12.510 1.422 -6.972 1.00 0.00 H new ATOM 0 HA THR A 11 -12.734 3.578 -6.474 1.00 0.00 H new ATOM 0 HB THR A 11 -15.545 2.738 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.942 3.487 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.217 5.052 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.138 4.978 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.500 5.489 -6.541 1.00 0.00 H new ATOM 166 N PRO A 12 -12.070 2.961 -3.912 1.00 0.00 N ATOM 167 CA PRO A 12 -11.768 3.158 -2.492 1.00 0.00 C ATOM 168 C PRO A 12 -11.673 4.634 -2.120 1.00 0.00 C ATOM 169 O PRO A 12 -11.842 5.511 -2.968 1.00 0.00 O ATOM 170 CB PRO A 12 -10.410 2.476 -2.321 1.00 0.00 C ATOM 171 CG PRO A 12 -9.779 2.550 -3.668 1.00 0.00 C ATOM 172 CD PRO A 12 -10.905 2.451 -4.661 1.00 0.00 C ATOM 0 HA PRO A 12 -12.548 2.752 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.803 2.983 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.524 1.443 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.231 3.484 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.063 1.740 -3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.708 3.047 -5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.059 1.424 -4.992 1.00 0.00 H new ATOM 180 N THR A 13 -11.403 4.903 -0.847 1.00 0.00 N ATOM 181 CA THR A 13 -11.286 6.273 -0.362 1.00 0.00 C ATOM 182 C THR A 13 -9.822 6.686 -0.246 1.00 0.00 C ATOM 183 O THR A 13 -8.923 5.927 -0.610 1.00 0.00 O ATOM 184 CB THR A 13 -11.978 6.418 0.995 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.960 5.188 1.699 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.419 6.864 0.886 1.00 0.00 C ATOM 0 H THR A 13 -11.261 4.189 -0.132 1.00 0.00 H new ATOM 0 HA THR A 13 -11.774 6.929 -1.082 1.00 0.00 H new ATOM 0 HB THR A 13 -11.417 7.186 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.042 4.980 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.851 6.947 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.463 7.833 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.983 6.133 0.306 1.00 0.00 H new ATOM 194 N THR A 14 -9.590 7.891 0.263 1.00 0.00 N ATOM 195 CA THR A 14 -8.234 8.403 0.427 1.00 0.00 C ATOM 196 C THR A 14 -8.037 8.986 1.823 1.00 0.00 C ATOM 197 O THR A 14 -8.999 9.376 2.485 1.00 0.00 O ATOM 198 CB THR A 14 -7.938 9.471 -0.627 1.00 0.00 C ATOM 199 OG1 THR A 14 -8.822 10.570 -0.492 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.055 8.959 -2.047 1.00 0.00 C ATOM 0 H THR A 14 -10.323 8.531 0.569 1.00 0.00 H new ATOM 0 HA THR A 14 -7.542 7.571 0.298 1.00 0.00 H new ATOM 0 HB THR A 14 -6.905 9.772 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.615 11.242 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.832 9.767 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.348 8.143 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.069 8.598 -2.221 1.00 0.00 H new ATOM 208 N THR A 15 -6.785 9.040 2.264 1.00 0.00 N ATOM 209 CA THR A 15 -6.461 9.576 3.582 1.00 0.00 C ATOM 210 C THR A 15 -4.999 10.007 3.649 1.00 0.00 C ATOM 211 O THR A 15 -4.096 9.217 3.371 1.00 0.00 O ATOM 212 CB THR A 15 -6.748 8.534 4.663 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.516 9.073 5.953 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.906 7.284 4.531 1.00 0.00 C ATOM 0 H THR A 15 -5.978 8.720 1.729 1.00 0.00 H new ATOM 0 HA THR A 15 -7.087 10.451 3.756 1.00 0.00 H new ATOM 0 HB THR A 15 -7.795 8.262 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.707 8.392 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.161 6.588 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.099 6.816 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.851 7.547 4.602 1.00 0.00 H new ATOM 222 N GLY A 16 -4.774 11.265 4.014 1.00 0.00 N ATOM 223 CA GLY A 16 -3.430 11.780 4.105 1.00 0.00 C ATOM 224 C GLY A 16 -2.732 11.374 5.388 1.00 0.00 C ATOM 225 O GLY A 16 -3.328 11.408 6.465 1.00 0.00 O ATOM 0 H GLY A 16 -5.506 11.936 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.851 11.424 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.457 12.868 4.040 1.00 0.00 H new ATOM 229 N CYS A 17 -1.466 10.989 5.273 1.00 0.00 N ATOM 230 CA CYS A 17 -0.685 10.574 6.432 1.00 0.00 C ATOM 231 C CYS A 17 0.003 11.770 7.083 1.00 0.00 C ATOM 232 O CYS A 17 -0.224 12.917 6.694 1.00 0.00 O ATOM 233 CB CYS A 17 0.360 9.532 6.026 1.00 0.00 C ATOM 234 SG CYS A 17 -0.332 8.077 5.177 1.00 0.00 S ATOM 0 H CYS A 17 -0.959 10.956 4.389 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.369 10.131 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.094 10.005 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.892 9.200 6.918 1.00 0.00 H new ATOM 239 N SER A 18 0.846 11.496 8.074 1.00 0.00 N ATOM 240 CA SER A 18 1.567 12.549 8.778 1.00 0.00 C ATOM 241 C SER A 18 2.587 11.955 9.746 1.00 0.00 C ATOM 242 O SER A 18 2.223 11.375 10.768 1.00 0.00 O ATOM 243 CB SER A 18 0.589 13.447 9.539 1.00 0.00 C ATOM 244 OG SER A 18 1.012 14.799 9.512 1.00 0.00 O ATOM 0 H SER A 18 1.046 10.553 8.407 1.00 0.00 H new ATOM 0 HA SER A 18 2.098 13.148 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.404 13.364 9.098 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.508 13.109 10.572 1.00 0.00 H new ATOM 0 HG SER A 18 0.370 15.353 10.003 1.00 0.00 H new ATOM 250 N GLY A 19 3.866 12.103 9.415 1.00 0.00 N ATOM 251 CA GLY A 19 4.917 11.576 10.265 1.00 0.00 C ATOM 252 C GLY A 19 6.077 11.009 9.471 1.00 0.00 C ATOM 253 O GLY A 19 6.372 9.817 9.557 1.00 0.00 O ATOM 0 H GLY A 19 4.193 12.578 8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.282 12.368 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.505 10.797 10.906 1.00 0.00 H new ATOM 257 N GLY A 20 6.740 11.866 8.699 1.00 0.00 N ATOM 258 CA GLY A 20 7.869 11.431 7.899 1.00 0.00 C ATOM 259 C GLY A 20 7.567 10.190 7.079 1.00 0.00 C ATOM 260 O GLY A 20 8.401 9.291 6.970 1.00 0.00 O ATOM 0 H GLY A 20 6.513 12.857 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.167 12.239 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.717 11.230 8.554 1.00 0.00 H new ATOM 264 N GLU A 21 6.371 10.142 6.501 1.00 0.00 N ATOM 265 CA GLU A 21 5.961 9.003 5.688 1.00 0.00 C ATOM 266 C GLU A 21 5.362 9.469 4.364 1.00 0.00 C ATOM 267 O GLU A 21 4.208 9.893 4.309 1.00 0.00 O ATOM 268 CB GLU A 21 4.945 8.147 6.446 1.00 0.00 C ATOM 269 CG GLU A 21 5.022 6.668 6.105 1.00 0.00 C ATOM 270 CD GLU A 21 4.619 5.778 7.265 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.062 6.303 8.252 1.00 0.00 O ATOM 272 OE2 GLU A 21 4.860 4.555 7.186 1.00 0.00 O ATOM 0 H GLU A 21 5.669 10.878 6.581 1.00 0.00 H new ATOM 0 HA GLU A 21 6.846 8.402 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.103 8.273 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.941 8.510 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.375 6.462 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.039 6.422 5.800 1.00 0.00 H new ATOM 279 N ASN A 22 6.155 9.387 3.300 1.00 0.00 N ATOM 280 CA ASN A 22 5.703 9.801 1.977 1.00 0.00 C ATOM 281 C ASN A 22 5.638 8.611 1.025 1.00 0.00 C ATOM 282 O ASN A 22 5.821 8.759 -0.183 1.00 0.00 O ATOM 283 CB ASN A 22 6.635 10.874 1.410 1.00 0.00 C ATOM 284 CG ASN A 22 6.481 12.205 2.116 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.440 12.857 2.019 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.520 12.620 2.833 1.00 0.00 N ATOM 0 H ASN A 22 7.113 9.038 3.329 1.00 0.00 H new ATOM 0 HA ASN A 22 4.700 10.216 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.668 10.537 1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.431 11.004 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.474 13.510 3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.363 12.049 2.887 1.00 0.00 H new ATOM 293 N ASN A 23 5.376 7.431 1.578 1.00 0.00 N ATOM 294 CA ASN A 23 5.286 6.214 0.777 1.00 0.00 C ATOM 295 C ASN A 23 4.013 5.442 1.106 1.00 0.00 C ATOM 296 O ASN A 23 3.478 5.550 2.210 1.00 0.00 O ATOM 297 CB ASN A 23 6.509 5.328 1.021 1.00 0.00 C ATOM 298 CG ASN A 23 7.807 6.026 0.668 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.383 5.791 -0.395 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.277 6.890 1.560 1.00 0.00 N ATOM 0 H ASN A 23 5.222 7.291 2.577 1.00 0.00 H new ATOM 0 HA ASN A 23 5.256 6.500 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.534 5.028 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.418 4.416 0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.148 7.389 1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.767 7.055 2.428 1.00 0.00 H new ATOM 307 N CYS A 24 3.530 4.664 0.142 1.00 0.00 N ATOM 308 CA CYS A 24 2.317 3.876 0.333 1.00 0.00 C ATOM 309 C CYS A 24 2.474 2.483 -0.267 1.00 0.00 C ATOM 310 O CYS A 24 2.676 2.333 -1.471 1.00 0.00 O ATOM 311 CB CYS A 24 1.116 4.581 -0.294 1.00 0.00 C ATOM 312 SG CYS A 24 1.062 6.376 0.018 1.00 0.00 S ATOM 0 H CYS A 24 3.959 4.562 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 24 2.147 3.775 1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.129 4.410 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.201 4.129 0.089 1.00 0.00 H new ATOM 317 N TYR A 25 2.392 1.468 0.587 1.00 0.00 N ATOM 318 CA TYR A 25 2.537 0.096 0.159 1.00 0.00 C ATOM 319 C TYR A 25 1.230 -0.466 -0.399 1.00 0.00 C ATOM 320 O TYR A 25 0.181 0.174 -0.330 1.00 0.00 O ATOM 321 CB TYR A 25 3.021 -0.763 1.328 1.00 0.00 C ATOM 322 CG TYR A 25 1.951 -1.061 2.357 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.630 -0.135 3.342 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.260 -2.269 2.343 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.655 -0.401 4.282 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.282 -2.541 3.281 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.016 -1.605 4.248 1.00 0.00 C ATOM 328 OH TYR A 25 -0.990 -1.873 5.183 1.00 0.00 O ATOM 0 H TYR A 25 2.224 1.580 1.587 1.00 0.00 H new ATOM 0 HA TYR A 25 3.274 0.073 -0.643 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.408 -1.704 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.852 -0.256 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.153 0.810 3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.492 -3.005 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.419 0.331 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.246 -3.483 3.256 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.803 -1.372 4.961 1.00 0.00 H new ATOM 338 N LYS A 26 1.313 -1.675 -0.940 1.00 0.00 N ATOM 339 CA LYS A 26 0.155 -2.357 -1.507 1.00 0.00 C ATOM 340 C LYS A 26 0.431 -3.853 -1.589 1.00 0.00 C ATOM 341 O LYS A 26 1.004 -4.336 -2.566 1.00 0.00 O ATOM 342 CB LYS A 26 -0.170 -1.804 -2.894 1.00 0.00 C ATOM 343 CG LYS A 26 -1.534 -2.231 -3.413 1.00 0.00 C ATOM 344 CD LYS A 26 -2.118 -1.199 -4.365 1.00 0.00 C ATOM 345 CE LYS A 26 -1.981 -1.636 -5.815 1.00 0.00 C ATOM 346 NZ LYS A 26 -3.236 -2.248 -6.331 1.00 0.00 N ATOM 0 H LYS A 26 2.180 -2.209 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.706 -2.185 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.127 -0.715 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.596 -2.133 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.446 -3.190 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.214 -2.379 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.170 -1.040 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.612 -0.244 -4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.717 -0.776 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.165 -2.353 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.017 -2.853 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.675 -2.822 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.894 -1.497 -6.622 1.00 0.00 H new ATOM 360 N LYS A 27 0.044 -4.581 -0.547 1.00 0.00 N ATOM 361 CA LYS A 27 0.277 -6.016 -0.493 1.00 0.00 C ATOM 362 C LYS A 27 -0.996 -6.808 -0.772 1.00 0.00 C ATOM 363 O LYS A 27 -2.046 -6.549 -0.185 1.00 0.00 O ATOM 364 CB LYS A 27 0.844 -6.403 0.873 1.00 0.00 C ATOM 365 CG LYS A 27 0.261 -5.613 2.034 1.00 0.00 C ATOM 366 CD LYS A 27 0.236 -6.435 3.313 1.00 0.00 C ATOM 367 CE LYS A 27 0.705 -5.622 4.511 1.00 0.00 C ATOM 368 NZ LYS A 27 1.691 -6.370 5.339 1.00 0.00 N ATOM 0 H LYS A 27 -0.432 -4.199 0.270 1.00 0.00 H new ATOM 0 HA LYS A 27 0.999 -6.263 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.662 -7.464 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.925 -6.263 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.850 -4.710 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.751 -5.294 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.776 -6.798 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.873 -7.311 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.154 -4.691 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.154 -5.352 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.985 -5.782 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.255 -7.246 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.522 -6.606 4.760 1.00 0.00 H new ATOM 382 N GLU A 28 -0.883 -7.785 -1.669 1.00 0.00 N ATOM 383 CA GLU A 28 -2.009 -8.637 -2.031 1.00 0.00 C ATOM 384 C GLU A 28 -1.730 -10.079 -1.620 1.00 0.00 C ATOM 385 O GLU A 28 -0.647 -10.607 -1.880 1.00 0.00 O ATOM 386 CB GLU A 28 -2.279 -8.565 -3.538 1.00 0.00 C ATOM 387 CG GLU A 28 -1.063 -8.170 -4.365 1.00 0.00 C ATOM 388 CD GLU A 28 -1.401 -7.948 -5.826 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.577 -8.948 -6.553 1.00 0.00 O ATOM 390 OE2 GLU A 28 -1.487 -6.775 -6.245 1.00 0.00 O ATOM 0 H GLU A 28 -0.017 -8.006 -2.160 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.893 -8.281 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.638 -9.536 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.079 -7.847 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.628 -7.259 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.305 -8.949 -4.285 1.00 0.00 H new ATOM 397 N TRP A 29 -2.704 -10.713 -0.975 1.00 0.00 N ATOM 398 CA TRP A 29 -2.548 -12.091 -0.527 1.00 0.00 C ATOM 399 C TRP A 29 -3.777 -12.928 -0.876 1.00 0.00 C ATOM 400 O TRP A 29 -4.899 -12.423 -0.899 1.00 0.00 O ATOM 401 CB TRP A 29 -2.287 -12.137 0.984 1.00 0.00 C ATOM 402 CG TRP A 29 -3.488 -11.829 1.821 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.141 -12.700 2.632 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.170 -10.574 1.944 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.198 -12.076 3.248 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.238 -10.768 2.842 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.988 -9.306 1.381 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.115 -9.745 3.189 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.861 -8.291 1.727 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.913 -8.516 2.624 1.00 0.00 C ATOM 0 H TRP A 29 -3.607 -10.295 -0.752 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.690 -12.516 -1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.918 -13.128 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.496 -11.427 1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.868 -13.735 2.773 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.847 -12.515 3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.180 -9.123 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.927 -9.916 3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.730 -7.308 1.298 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.578 -7.703 2.874 1.00 0.00 H new ATOM 421 N ARG A 30 -3.553 -14.210 -1.146 1.00 0.00 N ATOM 422 CA ARG A 30 -4.633 -15.119 -1.493 1.00 0.00 C ATOM 423 C ARG A 30 -4.958 -16.045 -0.325 1.00 0.00 C ATOM 424 O ARG A 30 -4.209 -16.119 0.649 1.00 0.00 O ATOM 425 CB ARG A 30 -4.257 -15.946 -2.725 1.00 0.00 C ATOM 426 CG ARG A 30 -2.815 -16.432 -2.737 1.00 0.00 C ATOM 427 CD ARG A 30 -2.028 -15.825 -3.890 1.00 0.00 C ATOM 428 NE ARG A 30 -1.912 -14.373 -3.776 1.00 0.00 N ATOM 429 CZ ARG A 30 -1.661 -13.565 -4.803 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.492 -14.060 -6.023 1.00 0.00 N ATOM 431 NH2 ARG A 30 -1.577 -12.255 -4.610 1.00 0.00 N ATOM 0 H ARG A 30 -2.629 -14.641 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.517 -14.524 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.920 -16.809 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.434 -15.347 -3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.336 -16.174 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.798 -17.519 -2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.032 -16.266 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.515 -16.076 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.031 -13.954 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.554 -15.066 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.300 -13.434 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.705 -11.868 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.385 -11.635 -5.397 1.00 0.00 H new ATOM 445 N ASP A 31 -6.080 -16.750 -0.429 1.00 0.00 N ATOM 446 CA ASP A 31 -6.505 -17.671 0.619 1.00 0.00 C ATOM 447 C ASP A 31 -6.709 -19.074 0.059 1.00 0.00 C ATOM 448 O ASP A 31 -6.240 -20.058 0.634 1.00 0.00 O ATOM 449 CB ASP A 31 -7.797 -17.176 1.271 1.00 0.00 C ATOM 450 CG ASP A 31 -8.852 -16.801 0.250 1.00 0.00 C ATOM 451 OD1 ASP A 31 -9.563 -17.708 -0.232 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.970 -15.597 -0.069 1.00 0.00 O ATOM 0 H ASP A 31 -6.711 -16.701 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.719 -17.711 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.190 -17.952 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.577 -16.311 1.897 1.00 0.00 H new ATOM 457 N ASN A 32 -7.412 -19.162 -1.065 1.00 0.00 N ATOM 458 CA ASN A 32 -7.679 -20.445 -1.703 1.00 0.00 C ATOM 459 C ASN A 32 -8.373 -20.248 -3.047 1.00 0.00 C ATOM 460 O ASN A 32 -7.933 -20.778 -4.068 1.00 0.00 O ATOM 461 CB ASN A 32 -8.541 -21.322 -0.791 1.00 0.00 C ATOM 462 CG ASN A 32 -7.942 -22.700 -0.581 1.00 0.00 C ATOM 463 OD1 ASN A 32 -8.569 -23.714 -0.887 1.00 0.00 O ATOM 464 ND2 ASN A 32 -6.724 -22.742 -0.055 1.00 0.00 N ATOM 0 H ASN A 32 -7.808 -18.359 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.725 -20.944 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.661 -20.830 0.174 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.536 -21.423 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.271 -23.641 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.241 -21.876 0.183 1.00 0.00 H new ATOM 471 N ARG A 33 -9.458 -19.481 -3.041 1.00 0.00 N ATOM 472 CA ARG A 33 -10.213 -19.212 -4.258 1.00 0.00 C ATOM 473 C ARG A 33 -10.081 -17.746 -4.661 1.00 0.00 C ATOM 474 O ARG A 33 -9.999 -17.424 -5.846 1.00 0.00 O ATOM 475 CB ARG A 33 -11.691 -19.569 -4.066 1.00 0.00 C ATOM 476 CG ARG A 33 -12.167 -19.488 -2.623 1.00 0.00 C ATOM 477 CD ARG A 33 -13.566 -20.062 -2.461 1.00 0.00 C ATOM 478 NE ARG A 33 -14.439 -19.168 -1.705 1.00 0.00 N ATOM 479 CZ ARG A 33 -15.028 -18.093 -2.223 1.00 0.00 C ATOM 480 NH1 ARG A 33 -14.841 -17.775 -3.498 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.807 -17.334 -1.464 1.00 0.00 N ATOM 0 H ARG A 33 -9.834 -19.034 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.802 -19.833 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.298 -18.899 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.861 -20.580 -4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.474 -20.030 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.159 -18.449 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.999 -20.246 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.506 -21.025 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.607 -19.380 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.243 -18.356 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.295 -16.950 -3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.954 -17.574 -0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.259 -16.510 -1.861 1.00 0.00 H new ATOM 495 N GLY A 34 -10.060 -16.863 -3.667 1.00 0.00 N ATOM 496 CA GLY A 34 -9.938 -15.443 -3.938 1.00 0.00 C ATOM 497 C GLY A 34 -8.753 -14.819 -3.226 1.00 0.00 C ATOM 498 O GLY A 34 -8.035 -15.496 -2.490 1.00 0.00 O ATOM 0 H GLY A 34 -10.125 -17.106 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.836 -15.288 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.852 -14.937 -3.628 1.00 0.00 H new ATOM 502 N TYR A 35 -8.547 -13.524 -3.446 1.00 0.00 N ATOM 503 CA TYR A 35 -7.440 -12.809 -2.821 1.00 0.00 C ATOM 504 C TYR A 35 -7.800 -11.346 -2.582 1.00 0.00 C ATOM 505 O TYR A 35 -8.684 -10.799 -3.241 1.00 0.00 O ATOM 506 CB TYR A 35 -6.187 -12.901 -3.694 1.00 0.00 C ATOM 507 CG TYR A 35 -6.453 -12.669 -5.164 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.923 -11.443 -5.619 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.232 -13.674 -6.096 1.00 0.00 C ATOM 510 CE1 TYR A 35 -7.167 -11.228 -6.962 1.00 0.00 C ATOM 511 CE2 TYR A 35 -6.473 -13.466 -7.441 1.00 0.00 C ATOM 512 CZ TYR A 35 -6.939 -12.241 -7.869 1.00 0.00 C ATOM 513 OH TYR A 35 -7.180 -12.030 -9.206 1.00 0.00 O ATOM 0 H TYR A 35 -9.132 -12.949 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.239 -13.277 -1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.458 -12.170 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.737 -13.886 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.100 -10.646 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.866 -14.634 -5.765 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.535 -10.270 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.297 -14.259 -8.153 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.967 -12.844 -9.709 1.00 0.00 H new ATOM 523 N ARG A 36 -7.111 -10.719 -1.635 1.00 0.00 N ATOM 524 CA ARG A 36 -7.356 -9.319 -1.306 1.00 0.00 C ATOM 525 C ARG A 36 -6.065 -8.509 -1.386 1.00 0.00 C ATOM 526 O ARG A 36 -4.998 -9.051 -1.672 1.00 0.00 O ATOM 527 CB ARG A 36 -7.966 -9.203 0.093 1.00 0.00 C ATOM 528 CG ARG A 36 -9.442 -8.842 0.086 1.00 0.00 C ATOM 529 CD ARG A 36 -10.020 -8.827 1.492 1.00 0.00 C ATOM 530 NE ARG A 36 -11.318 -9.495 1.559 1.00 0.00 N ATOM 531 CZ ARG A 36 -11.868 -9.936 2.688 1.00 0.00 C ATOM 532 NH1 ARG A 36 -11.238 -9.780 3.846 1.00 0.00 N ATOM 533 NH2 ARG A 36 -13.051 -10.532 2.659 1.00 0.00 N ATOM 0 H ARG A 36 -6.377 -11.159 -1.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.060 -8.915 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.835 -10.150 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.419 -8.448 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.576 -7.863 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.990 -9.559 -0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.325 -9.316 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.125 -7.796 1.829 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.833 -9.631 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.328 -9.320 3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.664 -10.120 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.540 -10.653 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.473 -10.870 3.524 1.00 0.00 H new ATOM 547 N THR A 37 -6.172 -7.210 -1.129 1.00 0.00 N ATOM 548 CA THR A 37 -5.013 -6.326 -1.172 1.00 0.00 C ATOM 549 C THR A 37 -5.218 -5.114 -0.269 1.00 0.00 C ATOM 550 O THR A 37 -6.182 -4.367 -0.429 1.00 0.00 O ATOM 551 CB THR A 37 -4.749 -5.867 -2.607 1.00 0.00 C ATOM 552 OG1 THR A 37 -5.085 -6.889 -3.529 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.309 -5.478 -2.857 1.00 0.00 C ATOM 0 H THR A 37 -7.048 -6.746 -0.889 1.00 0.00 H new ATOM 0 HA THR A 37 -4.149 -6.884 -0.810 1.00 0.00 H new ATOM 0 HB THR A 37 -5.375 -4.986 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.911 -6.577 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.192 -5.163 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.034 -4.657 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.662 -6.333 -2.663 1.00 0.00 H new ATOM 561 N GLU A 38 -4.306 -4.921 0.680 1.00 0.00 N ATOM 562 CA GLU A 38 -4.392 -3.799 1.602 1.00 0.00 C ATOM 563 C GLU A 38 -3.330 -2.752 1.286 1.00 0.00 C ATOM 564 O GLU A 38 -2.297 -3.058 0.690 1.00 0.00 O ATOM 565 CB GLU A 38 -4.238 -4.271 3.051 1.00 0.00 C ATOM 566 CG GLU A 38 -3.340 -5.488 3.219 1.00 0.00 C ATOM 567 CD GLU A 38 -3.310 -5.997 4.647 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.395 -6.143 5.248 1.00 0.00 O ATOM 569 OE2 GLU A 38 -2.202 -6.251 5.163 1.00 0.00 O ATOM 0 H GLU A 38 -3.500 -5.528 0.828 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.377 -3.348 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.836 -3.452 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.224 -4.503 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.686 -6.284 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.327 -5.234 2.906 1.00 0.00 H new ATOM 576 N ARG A 39 -3.598 -1.515 1.689 1.00 0.00 N ATOM 577 CA ARG A 39 -2.672 -0.414 1.452 1.00 0.00 C ATOM 578 C ARG A 39 -2.374 0.334 2.747 1.00 0.00 C ATOM 579 O ARG A 39 -2.846 -0.048 3.819 1.00 0.00 O ATOM 580 CB ARG A 39 -3.251 0.549 0.415 1.00 0.00 C ATOM 581 CG ARG A 39 -3.240 -0.004 -1.001 1.00 0.00 C ATOM 582 CD ARG A 39 -4.480 -0.839 -1.282 1.00 0.00 C ATOM 583 NE ARG A 39 -5.650 -0.008 -1.559 1.00 0.00 N ATOM 584 CZ ARG A 39 -6.745 -0.450 -2.172 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.825 -1.712 -2.575 1.00 0.00 N ATOM 586 NH2 ARG A 39 -7.763 0.373 -2.384 1.00 0.00 N ATOM 0 H ARG A 39 -4.450 -1.249 2.182 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.739 -0.830 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.276 0.795 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.683 1.479 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.185 0.819 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.348 -0.614 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.291 -1.493 -2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.686 -1.481 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.626 0.968 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.044 -2.349 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.667 -2.045 -3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.706 1.344 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.603 0.035 -2.854 1.00 0.00 H new ATOM 600 N GLY A 40 -1.586 1.398 2.641 1.00 0.00 N ATOM 601 CA GLY A 40 -1.238 2.183 3.811 1.00 0.00 C ATOM 602 C GLY A 40 0.122 2.840 3.682 1.00 0.00 C ATOM 603 O GLY A 40 0.876 2.542 2.756 1.00 0.00 O ATOM 0 H GLY A 40 -1.182 1.731 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.996 2.950 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.246 1.541 4.692 1.00 0.00 H new ATOM 607 N CYS A 41 0.435 3.736 4.611 1.00 0.00 N ATOM 608 CA CYS A 41 1.714 4.436 4.594 1.00 0.00 C ATOM 609 C CYS A 41 2.818 3.566 5.187 1.00 0.00 C ATOM 610 O CYS A 41 2.713 3.098 6.321 1.00 0.00 O ATOM 611 CB CYS A 41 1.610 5.752 5.368 1.00 0.00 C ATOM 612 SG CYS A 41 1.287 7.205 4.317 1.00 0.00 S ATOM 0 H CYS A 41 -0.178 3.995 5.384 1.00 0.00 H new ATOM 0 HA CYS A 41 1.968 4.654 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.813 5.666 6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.537 5.913 5.918 1.00 0.00 H new ATOM 617 N GLY A 42 3.876 3.353 4.410 1.00 0.00 N ATOM 618 CA GLY A 42 4.984 2.538 4.873 1.00 0.00 C ATOM 619 C GLY A 42 5.468 1.565 3.815 1.00 0.00 C ATOM 620 O GLY A 42 4.968 1.564 2.690 1.00 0.00 O ATOM 0 H GLY A 42 3.985 3.730 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.808 3.186 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.678 1.983 5.760 1.00 0.00 H new ATOM 624 N CYS A 43 6.442 0.736 4.174 1.00 0.00 N ATOM 625 CA CYS A 43 6.991 -0.244 3.245 1.00 0.00 C ATOM 626 C CYS A 43 7.603 -1.427 3.993 1.00 0.00 C ATOM 627 O CYS A 43 8.810 -1.661 3.923 1.00 0.00 O ATOM 628 CB CYS A 43 8.043 0.409 2.347 1.00 0.00 C ATOM 629 SG CYS A 43 8.330 -0.471 0.776 1.00 0.00 S ATOM 0 H CYS A 43 6.867 0.723 5.101 1.00 0.00 H new ATOM 0 HA CYS A 43 6.175 -0.616 2.626 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.734 1.431 2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.984 0.471 2.894 1.00 0.00 H new ATOM 634 N PRO A 44 6.775 -2.196 4.722 1.00 0.00 N ATOM 635 CA PRO A 44 7.242 -3.361 5.481 1.00 0.00 C ATOM 636 C PRO A 44 7.915 -4.397 4.589 1.00 0.00 C ATOM 637 O PRO A 44 7.855 -4.308 3.362 1.00 0.00 O ATOM 638 CB PRO A 44 5.960 -3.937 6.093 1.00 0.00 C ATOM 639 CG PRO A 44 4.982 -2.813 6.073 1.00 0.00 C ATOM 640 CD PRO A 44 5.322 -1.994 4.861 1.00 0.00 C ATOM 0 HA PRO A 44 7.993 -3.086 6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.595 -4.787 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.133 -4.291 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.959 -3.186 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.055 -2.215 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.781 -2.335 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.072 -0.942 5.001 1.00 0.00 H new ATOM 648 N SER A 45 8.556 -5.381 5.211 1.00 0.00 N ATOM 649 CA SER A 45 9.241 -6.436 4.471 1.00 0.00 C ATOM 650 C SER A 45 9.859 -7.455 5.423 1.00 0.00 C ATOM 651 O SER A 45 11.050 -7.389 5.732 1.00 0.00 O ATOM 652 CB SER A 45 10.324 -5.837 3.571 1.00 0.00 C ATOM 653 OG SER A 45 10.385 -6.515 2.329 1.00 0.00 O ATOM 0 H SER A 45 8.616 -5.470 6.225 1.00 0.00 H new ATOM 0 HA SER A 45 8.505 -6.946 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.118 -4.780 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.291 -5.898 4.070 1.00 0.00 H new ATOM 0 HG SER A 45 11.083 -6.113 1.771 1.00 0.00 H new ATOM 659 N VAL A 46 9.044 -8.397 5.884 1.00 0.00 N ATOM 660 CA VAL A 46 9.513 -9.432 6.802 1.00 0.00 C ATOM 661 C VAL A 46 8.981 -10.800 6.429 1.00 0.00 C ATOM 662 O VAL A 46 9.000 -11.740 7.225 1.00 0.00 O ATOM 663 CB VAL A 46 9.091 -9.135 8.226 1.00 0.00 C ATOM 664 CG1 VAL A 46 9.826 -10.034 9.209 1.00 0.00 C ATOM 665 CG2 VAL A 46 9.290 -7.666 8.566 1.00 0.00 C ATOM 0 H VAL A 46 8.056 -8.467 5.638 1.00 0.00 H new ATOM 0 HA VAL A 46 10.600 -9.434 6.727 1.00 0.00 H new ATOM 0 HB VAL A 46 8.025 -9.349 8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.506 -9.801 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.600 -11.077 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.900 -9.869 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.978 -7.485 9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.343 -7.406 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.692 -7.052 7.892 1.00 0.00 H new ATOM 675 N LYS A 47 8.515 -10.884 5.216 1.00 0.00 N ATOM 676 CA LYS A 47 7.961 -12.120 4.674 1.00 0.00 C ATOM 677 C LYS A 47 8.081 -12.151 3.153 1.00 0.00 C ATOM 678 O LYS A 47 8.539 -11.189 2.537 1.00 0.00 O ATOM 679 CB LYS A 47 6.496 -12.268 5.084 1.00 0.00 C ATOM 680 CG LYS A 47 5.685 -10.993 4.919 1.00 0.00 C ATOM 681 CD LYS A 47 5.555 -10.241 6.235 1.00 0.00 C ATOM 682 CE LYS A 47 4.161 -9.661 6.410 1.00 0.00 C ATOM 683 NZ LYS A 47 4.048 -8.852 7.655 1.00 0.00 N ATOM 0 H LYS A 47 8.503 -10.101 4.562 1.00 0.00 H new ATOM 0 HA LYS A 47 8.532 -12.954 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.039 -13.059 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.449 -12.586 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.161 -10.351 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.693 -11.238 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.777 -10.914 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.291 -9.438 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.916 -9.039 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.432 -10.471 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.082 -8.474 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.257 -9.452 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.726 -8.064 7.620 1.00 0.00 H new ATOM 697 N LYS A 48 7.665 -13.262 2.555 1.00 0.00 N ATOM 698 CA LYS A 48 7.725 -13.421 1.107 1.00 0.00 C ATOM 699 C LYS A 48 6.440 -14.049 0.575 1.00 0.00 C ATOM 700 O LYS A 48 5.590 -14.494 1.348 1.00 0.00 O ATOM 701 CB LYS A 48 8.927 -14.282 0.716 1.00 0.00 C ATOM 702 CG LYS A 48 9.015 -15.591 1.486 1.00 0.00 C ATOM 703 CD LYS A 48 10.282 -15.665 2.323 1.00 0.00 C ATOM 704 CE LYS A 48 10.125 -14.918 3.638 1.00 0.00 C ATOM 705 NZ LYS A 48 11.131 -15.353 4.647 1.00 0.00 N ATOM 0 H LYS A 48 7.282 -14.067 3.052 1.00 0.00 H new ATOM 0 HA LYS A 48 7.836 -12.432 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.875 -14.500 -0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.841 -13.711 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.144 -15.692 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.991 -16.427 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.527 -16.708 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.116 -15.244 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.227 -13.847 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.122 -15.082 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.991 -14.820 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.017 -16.370 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.088 -15.173 4.283 1.00 0.00 H new ATOM 719 N GLY A 49 6.305 -14.079 -0.746 1.00 0.00 N ATOM 720 CA GLY A 49 5.120 -14.653 -1.357 1.00 0.00 C ATOM 721 C GLY A 49 4.091 -13.602 -1.723 1.00 0.00 C ATOM 722 O GLY A 49 3.740 -13.446 -2.892 1.00 0.00 O ATOM 0 H GLY A 49 6.994 -13.716 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.407 -15.204 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.673 -15.372 -0.671 1.00 0.00 H new ATOM 726 N ILE A 50 3.608 -12.878 -0.719 1.00 0.00 N ATOM 727 CA ILE A 50 2.614 -11.834 -0.936 1.00 0.00 C ATOM 728 C ILE A 50 3.152 -10.750 -1.866 1.00 0.00 C ATOM 729 O ILE A 50 4.313 -10.354 -1.765 1.00 0.00 O ATOM 730 CB ILE A 50 2.176 -11.195 0.397 1.00 0.00 C ATOM 731 CG1 ILE A 50 1.737 -12.284 1.381 1.00 0.00 C ATOM 732 CG2 ILE A 50 1.056 -10.187 0.167 1.00 0.00 C ATOM 733 CD1 ILE A 50 0.995 -11.757 2.592 1.00 0.00 C ATOM 0 H ILE A 50 3.889 -12.996 0.254 1.00 0.00 H new ATOM 0 HA ILE A 50 1.749 -12.305 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 50 3.024 -10.661 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.099 -12.996 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.617 -12.832 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.761 -9.747 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.406 -9.401 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.199 -10.691 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.718 -12.589 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.637 -11.068 3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.095 -11.234 2.268 1.00 0.00 H new ATOM 745 N GLY A 51 2.301 -10.278 -2.771 1.00 0.00 N ATOM 746 CA GLY A 51 2.711 -9.246 -3.706 1.00 0.00 C ATOM 747 C GLY A 51 2.655 -7.858 -3.102 1.00 0.00 C ATOM 748 O GLY A 51 1.626 -7.186 -3.168 1.00 0.00 O ATOM 0 H GLY A 51 1.336 -10.591 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.727 -9.450 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.068 -9.282 -4.586 1.00 0.00 H new ATOM 752 N ILE A 52 3.764 -7.427 -2.508 1.00 0.00 N ATOM 753 CA ILE A 52 3.836 -6.111 -1.886 1.00 0.00 C ATOM 754 C ILE A 52 4.585 -5.119 -2.772 1.00 0.00 C ATOM 755 O ILE A 52 5.648 -5.429 -3.309 1.00 0.00 O ATOM 756 CB ILE A 52 4.524 -6.181 -0.508 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.488 -4.812 0.177 1.00 0.00 C ATOM 758 CG2 ILE A 52 5.957 -6.671 -0.651 1.00 0.00 C ATOM 759 CD1 ILE A 52 4.562 -4.891 1.687 1.00 0.00 C ATOM 0 H ILE A 52 4.625 -7.971 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 52 2.810 -5.766 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 52 3.980 -6.892 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.319 -4.209 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.571 -4.296 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.427 -6.714 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.959 -7.665 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.514 -5.985 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.532 -3.885 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.716 -5.466 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.492 -5.378 1.981 1.00 0.00 H new ATOM 771 N ASN A 53 4.021 -3.924 -2.915 1.00 0.00 N ATOM 772 CA ASN A 53 4.633 -2.880 -3.729 1.00 0.00 C ATOM 773 C ASN A 53 4.467 -1.515 -3.069 1.00 0.00 C ATOM 774 O ASN A 53 3.394 -1.188 -2.561 1.00 0.00 O ATOM 775 CB ASN A 53 4.012 -2.864 -5.128 1.00 0.00 C ATOM 776 CG ASN A 53 2.527 -2.559 -5.099 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.121 -1.399 -5.042 1.00 0.00 O ATOM 778 ND2 ASN A 53 1.708 -3.604 -5.138 1.00 0.00 N ATOM 0 H ASN A 53 3.140 -3.654 -2.477 1.00 0.00 H new ATOM 0 HA ASN A 53 5.698 -3.096 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.521 -2.119 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.172 -3.831 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.698 -3.461 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.089 -4.549 -5.185 1.00 0.00 H new ATOM 785 N CYS A 54 5.535 -0.725 -3.076 1.00 0.00 N ATOM 786 CA CYS A 54 5.506 0.603 -2.472 1.00 0.00 C ATOM 787 C CYS A 54 5.685 1.689 -3.528 1.00 0.00 C ATOM 788 O CYS A 54 6.349 1.481 -4.543 1.00 0.00 O ATOM 789 CB CYS A 54 6.598 0.726 -1.409 1.00 0.00 C ATOM 790 SG CYS A 54 6.495 -0.526 -0.089 1.00 0.00 S ATOM 0 H CYS A 54 6.430 -0.980 -3.492 1.00 0.00 H new ATOM 0 HA CYS A 54 4.532 0.738 -2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.572 0.649 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.543 1.718 -0.960 1.00 0.00 H new ATOM 795 N CYS A 55 5.085 2.849 -3.280 1.00 0.00 N ATOM 796 CA CYS A 55 5.175 3.972 -4.204 1.00 0.00 C ATOM 797 C CYS A 55 5.352 5.284 -3.445 1.00 0.00 C ATOM 798 O CYS A 55 5.425 5.295 -2.216 1.00 0.00 O ATOM 799 CB CYS A 55 3.925 4.043 -5.086 1.00 0.00 C ATOM 800 SG CYS A 55 2.366 3.714 -4.200 1.00 0.00 S ATOM 0 H CYS A 55 4.530 3.035 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 55 6.047 3.817 -4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.870 5.032 -5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.026 3.324 -5.899 1.00 0.00 H new ATOM 805 N THR A 56 5.421 6.387 -4.182 1.00 0.00 N ATOM 806 CA THR A 56 5.592 7.702 -3.573 1.00 0.00 C ATOM 807 C THR A 56 4.836 8.772 -4.357 1.00 0.00 C ATOM 808 O THR A 56 5.406 9.793 -4.742 1.00 0.00 O ATOM 809 CB THR A 56 7.076 8.060 -3.494 1.00 0.00 C ATOM 810 OG1 THR A 56 7.260 9.289 -2.815 1.00 0.00 O ATOM 811 CG2 THR A 56 7.735 8.182 -4.851 1.00 0.00 C ATOM 0 H THR A 56 5.361 6.398 -5.200 1.00 0.00 H new ATOM 0 HA THR A 56 5.181 7.663 -2.564 1.00 0.00 H new ATOM 0 HB THR A 56 7.543 7.237 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.831 9.244 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.787 8.438 -4.723 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.654 7.233 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.239 8.963 -5.427 1.00 0.00 H new ATOM 819 N THR A 57 3.550 8.532 -4.589 1.00 0.00 N ATOM 820 CA THR A 57 2.717 9.477 -5.324 1.00 0.00 C ATOM 821 C THR A 57 1.275 9.430 -4.828 1.00 0.00 C ATOM 822 O THR A 57 0.813 8.408 -4.322 1.00 0.00 O ATOM 823 CB THR A 57 2.769 9.175 -6.823 1.00 0.00 C ATOM 824 OG1 THR A 57 3.129 7.825 -7.052 1.00 0.00 O ATOM 825 CG2 THR A 57 3.751 10.046 -7.574 1.00 0.00 C ATOM 0 H THR A 57 3.062 7.692 -4.279 1.00 0.00 H new ATOM 0 HA THR A 57 3.106 10.480 -5.151 1.00 0.00 H new ATOM 0 HB THR A 57 1.765 9.383 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.155 7.652 -8.016 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.738 9.780 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.470 11.093 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.753 9.893 -7.173 1.00 0.00 H new ATOM 833 N ASP A 58 0.569 10.548 -4.975 1.00 0.00 N ATOM 834 CA ASP A 58 -0.818 10.643 -4.542 1.00 0.00 C ATOM 835 C ASP A 58 -1.681 9.588 -5.230 1.00 0.00 C ATOM 836 O ASP A 58 -1.698 9.489 -6.457 1.00 0.00 O ATOM 837 CB ASP A 58 -1.363 12.039 -4.840 1.00 0.00 C ATOM 838 CG ASP A 58 -1.029 12.507 -6.243 1.00 0.00 C ATOM 839 OD1 ASP A 58 -1.816 12.216 -7.169 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.020 13.162 -6.417 1.00 0.00 O ATOM 0 H ASP A 58 0.938 11.402 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.853 10.464 -3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.445 12.038 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.955 12.746 -4.118 1.00 0.00 H new ATOM 845 N ARG A 59 -2.398 8.803 -4.431 1.00 0.00 N ATOM 846 CA ARG A 59 -3.264 7.757 -4.961 1.00 0.00 C ATOM 847 C ARG A 59 -2.474 6.779 -5.824 1.00 0.00 C ATOM 848 O ARG A 59 -3.012 6.182 -6.756 1.00 0.00 O ATOM 849 CB ARG A 59 -4.402 8.373 -5.777 1.00 0.00 C ATOM 850 CG ARG A 59 -5.075 9.550 -5.090 1.00 0.00 C ATOM 851 CD ARG A 59 -6.474 9.787 -5.635 1.00 0.00 C ATOM 852 NE ARG A 59 -6.458 10.634 -6.826 1.00 0.00 N ATOM 853 CZ ARG A 59 -7.525 11.284 -7.287 1.00 0.00 C ATOM 854 NH1 ARG A 59 -8.692 11.187 -6.661 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.424 12.033 -8.376 1.00 0.00 N ATOM 0 H ARG A 59 -2.396 8.872 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.686 7.209 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.011 8.700 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.149 7.606 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.128 9.365 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.472 10.447 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.937 8.830 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.089 10.254 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.579 10.733 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.775 10.612 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.506 11.687 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.530 12.111 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.241 12.531 -8.730 1.00 0.00 H new ATOM 869 N CYS A 60 -1.192 6.622 -5.508 1.00 0.00 N ATOM 870 CA CYS A 60 -0.324 5.724 -6.248 1.00 0.00 C ATOM 871 C CYS A 60 -0.712 4.266 -6.015 1.00 0.00 C ATOM 872 O CYS A 60 -0.499 3.412 -6.877 1.00 0.00 O ATOM 873 CB CYS A 60 1.127 5.952 -5.831 1.00 0.00 C ATOM 874 SG CYS A 60 1.476 5.535 -4.093 1.00 0.00 S ATOM 0 H CYS A 60 -0.733 7.110 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.436 5.937 -7.311 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.776 5.357 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.382 6.998 -6.001 1.00 0.00 H new ATOM 879 N ASN A 61 -1.279 3.987 -4.847 1.00 0.00 N ATOM 880 CA ASN A 61 -1.694 2.632 -4.503 1.00 0.00 C ATOM 881 C ASN A 61 -3.185 2.436 -4.762 1.00 0.00 C ATOM 882 O ASN A 61 -3.913 1.929 -3.910 1.00 0.00 O ATOM 883 CB ASN A 61 -1.372 2.335 -3.037 1.00 0.00 C ATOM 884 CG ASN A 61 -2.124 3.243 -2.085 1.00 0.00 C ATOM 885 OD1 ASN A 61 -3.033 3.969 -2.488 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.749 3.207 -0.811 1.00 0.00 N ATOM 0 H ASN A 61 -1.462 4.681 -4.122 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.142 1.937 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.620 1.297 -2.817 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.300 2.449 -2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.220 3.796 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.990 2.590 -0.520 1.00 0.00 H new ATOM 893 N ASN A 62 -3.631 2.841 -5.947 1.00 0.00 N ATOM 894 CA ASN A 62 -5.031 2.710 -6.322 1.00 0.00 C ATOM 895 C ASN A 62 -5.441 1.243 -6.398 1.00 0.00 C ATOM 896 O ASN A 62 -4.648 0.435 -6.924 1.00 0.00 O ATOM 897 CB ASN A 62 -5.277 3.393 -7.667 1.00 0.00 C ATOM 898 CG ASN A 62 -4.250 3.002 -8.712 1.00 0.00 C ATOM 899 OD1 ASN A 62 -3.919 1.825 -8.864 1.00 0.00 O ATOM 900 ND2 ASN A 62 -3.741 3.988 -9.441 1.00 0.00 N ATOM 901 OXT ASN A 62 -6.552 0.916 -5.931 1.00 0.00 O ATOM 0 H ASN A 62 -3.041 3.263 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.637 3.194 -5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.273 3.134 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.259 4.474 -7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.047 3.785 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.044 4.949 -9.282 1.00 0.00 H new TER 908 ASN A 62