USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=14 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 4 HIS : no HD1:sc= -1.34 K(o=-1.4,f=-1.9) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.0317 K(o=-1.4,f=-3.9) USER MOD Set 2.1: A 8 SER OG : rot 53:sc= 0.0665 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 37 THR OG1 : rot -150:sc= 0 USER MOD Set 3.1: A 5 ASN : amide:sc= -1.95 K(o=-1.4,f=-13!) USER MOD Set 3.2: A 6 GLN : amide:sc= 0.902 K(o=-1.4,f=-5.4!) USER MOD Set 3.3: A 13 THR OG1 : rot -135:sc= -0.33 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.6!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 10 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.051) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.07 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 22 ASN : amide:sc= -0.0941 X(o=-0.094,f=-0.016) USER MOD Single : A 23 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.016) USER MOD Single : A 25 TYR OH : rot 85:sc= 1.06 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0438 K(o=-0.044,f=-0.96) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.389 K(o=-0.39,f=-2.5!) USER MOD Single : A 56 THR OG1 : rot 75:sc= 0.124 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 61 ASN : amide:sc= -2.57 K(o=-2.6,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.406 13.493 1.606 1.00 0.00 N ATOM 2 CA LEU A 1 1.106 12.581 0.471 1.00 0.00 C ATOM 3 C LEU A 1 -0.122 11.724 0.762 1.00 0.00 C ATOM 4 O LEU A 1 -0.104 10.879 1.657 1.00 0.00 O ATOM 5 CB LEU A 1 2.329 11.692 0.226 1.00 0.00 C ATOM 6 CG LEU A 1 2.717 11.515 -1.243 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.732 12.571 -1.658 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.270 10.119 -1.485 1.00 0.00 C ATOM 0 H1 LEU A 1 2.246 14.064 1.380 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.594 14.122 1.770 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.588 12.933 2.463 1.00 0.00 H new ATOM 0 HA LEU A 1 0.887 13.173 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.179 12.114 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.137 10.709 0.656 1.00 0.00 H new ATOM 0 HG LEU A 1 1.822 11.640 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.996 12.430 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.301 13.563 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.627 12.478 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.540 10.012 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.153 9.965 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.513 9.378 -1.228 1.00 0.00 H new ATOM 22 N GLU A 2 -1.188 11.950 0.001 1.00 0.00 N ATOM 23 CA GLU A 2 -2.427 11.199 0.176 1.00 0.00 C ATOM 24 C GLU A 2 -2.350 9.849 -0.527 1.00 0.00 C ATOM 25 O GLU A 2 -1.523 9.648 -1.416 1.00 0.00 O ATOM 26 CB GLU A 2 -3.613 12.001 -0.362 1.00 0.00 C ATOM 27 CG GLU A 2 -4.148 13.029 0.621 1.00 0.00 C ATOM 28 CD GLU A 2 -5.337 13.795 0.072 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.242 14.301 -1.066 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.361 13.888 0.781 1.00 0.00 O ATOM 0 H GLU A 2 -1.219 12.647 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.569 11.024 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.312 12.509 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.415 11.313 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.438 12.527 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.354 13.731 0.876 1.00 0.00 H new ATOM 37 N CYS A 3 -3.217 8.926 -0.123 1.00 0.00 N ATOM 38 CA CYS A 3 -3.247 7.594 -0.716 1.00 0.00 C ATOM 39 C CYS A 3 -4.612 6.941 -0.526 1.00 0.00 C ATOM 40 O CYS A 3 -5.491 7.494 0.133 1.00 0.00 O ATOM 41 CB CYS A 3 -2.163 6.713 -0.096 1.00 0.00 C ATOM 42 SG CYS A 3 -0.503 6.969 -0.800 1.00 0.00 S ATOM 0 H CYS A 3 -3.908 9.076 0.612 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.059 7.698 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.124 6.904 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.443 5.667 -0.224 1.00 0.00 H new ATOM 47 N HIS A 4 -4.779 5.759 -1.112 1.00 0.00 N ATOM 48 CA HIS A 4 -6.030 5.024 -1.012 1.00 0.00 C ATOM 49 C HIS A 4 -6.007 4.073 0.181 1.00 0.00 C ATOM 50 O HIS A 4 -5.501 2.955 0.086 1.00 0.00 O ATOM 51 CB HIS A 4 -6.270 4.241 -2.299 1.00 0.00 C ATOM 52 CG HIS A 4 -6.722 5.095 -3.443 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.047 5.390 -3.685 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.016 5.722 -4.414 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.136 6.160 -4.755 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.917 6.376 -5.215 1.00 0.00 N ATOM 0 H HIS A 4 -4.059 5.291 -1.662 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.841 5.737 -0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.350 3.729 -2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.019 3.472 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.943 5.709 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.050 6.547 -5.181 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.683 6.938 -6.033 1.00 0.00 H new ATOM 65 N ASN A 5 -6.558 4.523 1.304 1.00 0.00 N ATOM 66 CA ASN A 5 -6.598 3.711 2.514 1.00 0.00 C ATOM 67 C ASN A 5 -7.371 2.417 2.281 1.00 0.00 C ATOM 68 O ASN A 5 -7.086 1.392 2.899 1.00 0.00 O ATOM 69 CB ASN A 5 -7.233 4.497 3.662 1.00 0.00 C ATOM 70 CG ASN A 5 -8.522 5.166 3.264 1.00 0.00 C ATOM 71 OD1 ASN A 5 -8.972 5.058 2.123 1.00 0.00 O ATOM 72 ND2 ASN A 5 -9.124 5.866 4.210 1.00 0.00 N ATOM 0 H ASN A 5 -6.983 5.445 1.401 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.572 3.456 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.421 3.823 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.530 5.252 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.001 6.346 4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.711 5.926 5.141 1.00 0.00 H new ATOM 79 N GLN A 6 -8.353 2.471 1.386 1.00 0.00 N ATOM 80 CA GLN A 6 -9.167 1.301 1.075 1.00 0.00 C ATOM 81 C GLN A 6 -8.437 0.364 0.118 1.00 0.00 C ATOM 82 O GLN A 6 -7.483 0.763 -0.551 1.00 0.00 O ATOM 83 CB GLN A 6 -10.502 1.728 0.464 1.00 0.00 C ATOM 84 CG GLN A 6 -11.681 0.886 0.926 1.00 0.00 C ATOM 85 CD GLN A 6 -12.194 1.302 2.292 1.00 0.00 C ATOM 86 OE1 GLN A 6 -13.012 2.214 2.407 1.00 0.00 O ATOM 87 NE2 GLN A 6 -11.713 0.635 3.334 1.00 0.00 N ATOM 0 H GLN A 6 -8.604 3.311 0.864 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.354 0.767 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.690 2.771 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.429 1.671 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.488 0.967 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.384 -0.162 0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.036 -0.114 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.021 0.872 4.277 1.00 0.00 H new ATOM 96 N GLN A 7 -8.896 -0.880 0.056 1.00 0.00 N ATOM 97 CA GLN A 7 -8.294 -1.877 -0.822 1.00 0.00 C ATOM 98 C GLN A 7 -9.273 -2.288 -1.917 1.00 0.00 C ATOM 99 O GLN A 7 -10.364 -1.729 -2.027 1.00 0.00 O ATOM 100 CB GLN A 7 -7.857 -3.106 -0.018 1.00 0.00 C ATOM 101 CG GLN A 7 -8.791 -3.453 1.132 1.00 0.00 C ATOM 102 CD GLN A 7 -8.565 -2.580 2.349 1.00 0.00 C ATOM 103 OE1 GLN A 7 -7.448 -2.131 2.606 1.00 0.00 O ATOM 104 NE2 GLN A 7 -9.626 -2.337 3.108 1.00 0.00 N ATOM 0 H GLN A 7 -9.685 -1.223 0.604 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.415 -1.434 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.789 -3.962 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.857 -2.932 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.824 -3.348 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.649 -4.498 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.533 -2.730 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.534 -1.757 3.942 1.00 0.00 H new ATOM 113 N SER A 8 -8.879 -3.266 -2.728 1.00 0.00 N ATOM 114 CA SER A 8 -9.724 -3.747 -3.815 1.00 0.00 C ATOM 115 C SER A 8 -11.087 -4.195 -3.291 1.00 0.00 C ATOM 116 O SER A 8 -11.276 -5.360 -2.941 1.00 0.00 O ATOM 117 CB SER A 8 -9.041 -4.902 -4.548 1.00 0.00 C ATOM 118 OG SER A 8 -8.382 -5.766 -3.638 1.00 0.00 O ATOM 0 H SER A 8 -7.979 -3.741 -2.652 1.00 0.00 H new ATOM 0 HA SER A 8 -9.877 -2.924 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.782 -5.464 -5.117 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.321 -4.507 -5.265 1.00 0.00 H new ATOM 0 HG SER A 8 -9.011 -6.049 -2.941 1.00 0.00 H new ATOM 124 N SER A 9 -12.031 -3.262 -3.243 1.00 0.00 N ATOM 125 CA SER A 9 -13.376 -3.556 -2.764 1.00 0.00 C ATOM 126 C SER A 9 -14.405 -2.680 -3.473 1.00 0.00 C ATOM 127 O SER A 9 -14.106 -2.059 -4.494 1.00 0.00 O ATOM 128 CB SER A 9 -13.459 -3.342 -1.251 1.00 0.00 C ATOM 129 OG SER A 9 -12.350 -3.929 -0.592 1.00 0.00 O ATOM 0 H SER A 9 -11.889 -2.294 -3.531 1.00 0.00 H new ATOM 0 HA SER A 9 -13.597 -4.600 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.493 -2.275 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.384 -3.775 -0.869 1.00 0.00 H new ATOM 0 HG SER A 9 -12.425 -3.777 0.373 1.00 0.00 H new ATOM 135 N GLN A 10 -15.617 -2.634 -2.930 1.00 0.00 N ATOM 136 CA GLN A 10 -16.685 -1.836 -3.515 1.00 0.00 C ATOM 137 C GLN A 10 -16.497 -0.352 -3.195 1.00 0.00 C ATOM 138 O GLN A 10 -15.874 0.380 -3.964 1.00 0.00 O ATOM 139 CB GLN A 10 -18.044 -2.325 -3.012 1.00 0.00 C ATOM 140 CG GLN A 10 -18.563 -3.544 -3.757 1.00 0.00 C ATOM 141 CD GLN A 10 -20.066 -3.514 -3.948 1.00 0.00 C ATOM 142 OE1 GLN A 10 -20.764 -4.474 -3.621 1.00 0.00 O ATOM 143 NE2 GLN A 10 -20.574 -2.409 -4.482 1.00 0.00 N ATOM 0 H GLN A 10 -15.883 -3.141 -2.086 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.648 -1.954 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.966 -2.563 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -18.769 -1.517 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -18.078 -3.604 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.288 -4.445 -3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.959 -1.637 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.579 -2.332 -4.636 1.00 0.00 H new ATOM 152 N THR A 11 -17.038 0.089 -2.060 1.00 0.00 N ATOM 153 CA THR A 11 -16.930 1.479 -1.650 1.00 0.00 C ATOM 154 C THR A 11 -15.481 1.855 -1.342 1.00 0.00 C ATOM 155 O THR A 11 -14.907 1.383 -0.360 1.00 0.00 O ATOM 156 CB THR A 11 -17.806 1.738 -0.423 1.00 0.00 C ATOM 157 OG1 THR A 11 -18.967 0.928 -0.455 1.00 0.00 O ATOM 158 CG2 THR A 11 -18.254 3.178 -0.301 1.00 0.00 C ATOM 0 H THR A 11 -17.556 -0.502 -1.410 1.00 0.00 H new ATOM 0 HA THR A 11 -17.275 2.099 -2.477 1.00 0.00 H new ATOM 0 HB THR A 11 -17.179 1.495 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 11 -19.513 1.107 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.871 3.293 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.381 3.825 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.833 3.455 -1.182 1.00 0.00 H new ATOM 166 N PRO A 12 -14.865 2.713 -2.176 1.00 0.00 N ATOM 167 CA PRO A 12 -13.484 3.145 -1.984 1.00 0.00 C ATOM 168 C PRO A 12 -13.377 4.373 -1.084 1.00 0.00 C ATOM 169 O PRO A 12 -14.375 5.035 -0.800 1.00 0.00 O ATOM 170 CB PRO A 12 -13.050 3.483 -3.405 1.00 0.00 C ATOM 171 CG PRO A 12 -14.288 4.000 -4.061 1.00 0.00 C ATOM 172 CD PRO A 12 -15.459 3.332 -3.376 1.00 0.00 C ATOM 0 HA PRO A 12 -12.872 2.389 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.256 4.230 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.664 2.604 -3.922 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.352 5.084 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.284 3.773 -5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.232 4.054 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.926 2.587 -4.020 1.00 0.00 H new ATOM 180 N THR A 13 -12.159 4.675 -0.643 1.00 0.00 N ATOM 181 CA THR A 13 -11.922 5.827 0.220 1.00 0.00 C ATOM 182 C THR A 13 -10.482 6.314 0.089 1.00 0.00 C ATOM 183 O THR A 13 -9.620 5.601 -0.426 1.00 0.00 O ATOM 184 CB THR A 13 -12.225 5.477 1.678 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.616 4.251 2.039 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.706 5.357 1.968 1.00 0.00 C ATOM 0 H THR A 13 -11.322 4.138 -0.869 1.00 0.00 H new ATOM 0 HA THR A 13 -12.590 6.628 -0.096 1.00 0.00 H new ATOM 0 HB THR A 13 -11.821 6.304 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.258 3.700 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.852 5.107 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.198 6.305 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.136 4.572 1.346 1.00 0.00 H new ATOM 194 N THR A 14 -10.228 7.532 0.555 1.00 0.00 N ATOM 195 CA THR A 14 -8.892 8.112 0.486 1.00 0.00 C ATOM 196 C THR A 14 -8.421 8.567 1.864 1.00 0.00 C ATOM 197 O THR A 14 -9.230 8.834 2.751 1.00 0.00 O ATOM 198 CB THR A 14 -8.877 9.295 -0.485 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.786 10.297 -0.069 1.00 0.00 O ATOM 200 CG2 THR A 14 -9.236 8.909 -1.904 1.00 0.00 C ATOM 0 H THR A 14 -10.929 8.136 0.984 1.00 0.00 H new ATOM 0 HA THR A 14 -8.209 7.343 0.125 1.00 0.00 H new ATOM 0 HB THR A 14 -7.851 9.664 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.760 11.045 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.206 9.794 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.522 8.173 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.239 8.482 -1.922 1.00 0.00 H new ATOM 208 N THR A 15 -7.105 8.655 2.032 1.00 0.00 N ATOM 209 CA THR A 15 -6.521 9.080 3.299 1.00 0.00 C ATOM 210 C THR A 15 -5.359 10.039 3.063 1.00 0.00 C ATOM 211 O THR A 15 -5.052 10.388 1.923 1.00 0.00 O ATOM 212 CB THR A 15 -6.042 7.866 4.097 1.00 0.00 C ATOM 213 OG1 THR A 15 -5.544 8.263 5.361 1.00 0.00 O ATOM 214 CG2 THR A 15 -4.952 7.082 3.398 1.00 0.00 C ATOM 0 H THR A 15 -6.423 8.437 1.306 1.00 0.00 H new ATOM 0 HA THR A 15 -7.290 9.600 3.871 1.00 0.00 H new ATOM 0 HB THR A 15 -6.917 7.225 4.201 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.244 7.473 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.658 6.235 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.323 6.719 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.089 7.727 3.233 1.00 0.00 H new ATOM 222 N GLY A 16 -4.713 10.459 4.146 1.00 0.00 N ATOM 223 CA GLY A 16 -3.596 11.363 4.034 1.00 0.00 C ATOM 224 C GLY A 16 -2.710 11.358 5.265 1.00 0.00 C ATOM 225 O GLY A 16 -3.195 11.491 6.389 1.00 0.00 O ATOM 0 H GLY A 16 -4.948 10.185 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.001 11.091 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.968 12.373 3.864 1.00 0.00 H new ATOM 229 N CYS A 17 -1.406 11.206 5.052 1.00 0.00 N ATOM 230 CA CYS A 17 -0.447 11.187 6.150 1.00 0.00 C ATOM 231 C CYS A 17 0.645 12.229 5.931 1.00 0.00 C ATOM 232 O CYS A 17 0.606 12.989 4.963 1.00 0.00 O ATOM 233 CB CYS A 17 0.179 9.797 6.288 1.00 0.00 C ATOM 234 SG CYS A 17 -1.021 8.472 6.638 1.00 0.00 S ATOM 0 H CYS A 17 -0.990 11.094 4.128 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.980 11.429 7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.711 9.557 5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.920 9.822 7.087 1.00 0.00 H new ATOM 239 N SER A 18 1.619 12.258 6.834 1.00 0.00 N ATOM 240 CA SER A 18 2.722 13.208 6.736 1.00 0.00 C ATOM 241 C SER A 18 3.827 12.862 7.729 1.00 0.00 C ATOM 242 O SER A 18 3.717 11.896 8.483 1.00 0.00 O ATOM 243 CB SER A 18 2.221 14.632 6.987 1.00 0.00 C ATOM 244 OG SER A 18 3.095 15.588 6.413 1.00 0.00 O ATOM 0 H SER A 18 1.668 11.636 7.641 1.00 0.00 H new ATOM 0 HA SER A 18 3.132 13.148 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.222 14.749 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.138 14.808 8.059 1.00 0.00 H new ATOM 0 HG SER A 18 2.752 16.490 6.586 1.00 0.00 H new ATOM 250 N GLY A 19 4.891 13.658 7.723 1.00 0.00 N ATOM 251 CA GLY A 19 6.001 13.419 8.626 1.00 0.00 C ATOM 252 C GLY A 19 6.908 12.303 8.148 1.00 0.00 C ATOM 253 O GLY A 19 7.108 12.128 6.946 1.00 0.00 O ATOM 0 H GLY A 19 5.004 14.464 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.582 14.335 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.614 13.170 9.614 1.00 0.00 H new ATOM 257 N GLY A 20 7.459 11.545 9.092 1.00 0.00 N ATOM 258 CA GLY A 20 8.344 10.449 8.747 1.00 0.00 C ATOM 259 C GLY A 20 7.759 9.533 7.688 1.00 0.00 C ATOM 260 O GLY A 20 8.494 8.888 6.941 1.00 0.00 O ATOM 0 H GLY A 20 7.307 11.672 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.292 10.852 8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.562 9.868 9.643 1.00 0.00 H new ATOM 264 N GLU A 21 6.433 9.476 7.626 1.00 0.00 N ATOM 265 CA GLU A 21 5.748 8.632 6.653 1.00 0.00 C ATOM 266 C GLU A 21 5.588 9.359 5.322 1.00 0.00 C ATOM 267 O GLU A 21 5.143 10.505 5.277 1.00 0.00 O ATOM 268 CB GLU A 21 4.377 8.213 7.188 1.00 0.00 C ATOM 269 CG GLU A 21 4.000 6.782 6.840 1.00 0.00 C ATOM 270 CD GLU A 21 3.644 5.958 8.062 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.385 6.032 9.065 1.00 0.00 O ATOM 272 OE2 GLU A 21 2.625 5.237 8.014 1.00 0.00 O ATOM 0 H GLU A 21 5.811 10.004 8.238 1.00 0.00 H new ATOM 0 HA GLU A 21 6.354 7.741 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.368 8.329 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.619 8.887 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.154 6.790 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.831 6.309 6.317 1.00 0.00 H new ATOM 279 N ASN A 22 5.954 8.681 4.237 1.00 0.00 N ATOM 280 CA ASN A 22 5.850 9.261 2.903 1.00 0.00 C ATOM 281 C ASN A 22 5.839 8.172 1.836 1.00 0.00 C ATOM 282 O ASN A 22 6.314 8.378 0.720 1.00 0.00 O ATOM 283 CB ASN A 22 7.011 10.226 2.650 1.00 0.00 C ATOM 284 CG ASN A 22 6.614 11.386 1.759 1.00 0.00 C ATOM 285 OD1 ASN A 22 7.205 11.599 0.700 1.00 0.00 O ATOM 286 ND2 ASN A 22 5.610 12.143 2.185 1.00 0.00 N ATOM 0 H ASN A 22 6.325 7.731 4.256 1.00 0.00 H new ATOM 0 HA ASN A 22 4.911 9.811 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.374 10.611 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.837 9.684 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.299 12.939 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.149 11.929 3.069 1.00 0.00 H new ATOM 293 N ASN A 23 5.292 7.014 2.188 1.00 0.00 N ATOM 294 CA ASN A 23 5.217 5.891 1.262 1.00 0.00 C ATOM 295 C ASN A 23 3.924 5.109 1.463 1.00 0.00 C ATOM 296 O ASN A 23 3.368 5.082 2.562 1.00 0.00 O ATOM 297 CB ASN A 23 6.419 4.965 1.452 1.00 0.00 C ATOM 298 CG ASN A 23 7.614 5.389 0.620 1.00 0.00 C ATOM 299 OD1 ASN A 23 7.901 4.798 -0.421 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.317 6.418 1.077 1.00 0.00 N ATOM 0 H ASN A 23 4.894 6.829 3.109 1.00 0.00 H new ATOM 0 HA ASN A 23 5.229 6.287 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.700 4.951 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.136 3.947 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.132 6.749 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.042 6.878 1.945 1.00 0.00 H new ATOM 307 N CYS A 24 3.448 4.472 0.398 1.00 0.00 N ATOM 308 CA CYS A 24 2.220 3.690 0.463 1.00 0.00 C ATOM 309 C CYS A 24 2.405 2.326 -0.190 1.00 0.00 C ATOM 310 O CYS A 24 2.648 2.226 -1.393 1.00 0.00 O ATOM 311 CB CYS A 24 1.074 4.442 -0.207 1.00 0.00 C ATOM 312 SG CYS A 24 0.727 6.069 0.539 1.00 0.00 S ATOM 0 H CYS A 24 3.894 4.482 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 24 1.975 3.535 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.310 4.579 -1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.173 3.831 -0.158 1.00 0.00 H new ATOM 317 N TYR A 25 2.301 1.279 0.619 1.00 0.00 N ATOM 318 CA TYR A 25 2.467 -0.078 0.152 1.00 0.00 C ATOM 319 C TYR A 25 1.185 -0.618 -0.478 1.00 0.00 C ATOM 320 O TYR A 25 0.100 -0.087 -0.251 1.00 0.00 O ATOM 321 CB TYR A 25 2.896 -0.971 1.317 1.00 0.00 C ATOM 322 CG TYR A 25 1.783 -1.283 2.293 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.527 -0.451 3.375 1.00 0.00 C ATOM 324 CD2 TYR A 25 0.988 -2.411 2.129 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.510 -0.732 4.267 1.00 0.00 C ATOM 326 CE2 TYR A 25 -0.031 -2.699 3.018 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.266 -1.858 4.084 1.00 0.00 C ATOM 328 OH TYR A 25 -1.280 -2.141 4.970 1.00 0.00 O ATOM 0 H TYR A 25 2.099 1.354 1.616 1.00 0.00 H new ATOM 0 HA TYR A 25 3.239 -0.080 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.290 -1.906 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.711 -0.485 1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.133 0.431 3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.169 -3.073 1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.324 -0.074 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.640 -3.580 2.878 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.089 -1.654 4.708 1.00 0.00 H new ATOM 338 N LYS A 26 1.321 -1.686 -1.260 1.00 0.00 N ATOM 339 CA LYS A 26 0.170 -2.312 -1.911 1.00 0.00 C ATOM 340 C LYS A 26 0.428 -3.802 -2.095 1.00 0.00 C ATOM 341 O LYS A 26 0.646 -4.268 -3.210 1.00 0.00 O ATOM 342 CB LYS A 26 -0.106 -1.653 -3.264 1.00 0.00 C ATOM 343 CG LYS A 26 -1.457 -2.025 -3.854 1.00 0.00 C ATOM 344 CD LYS A 26 -1.797 -1.163 -5.062 1.00 0.00 C ATOM 345 CE LYS A 26 -1.753 -1.968 -6.351 1.00 0.00 C ATOM 346 NZ LYS A 26 -2.964 -2.819 -6.515 1.00 0.00 N ATOM 0 H LYS A 26 2.214 -2.136 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.707 -2.177 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.054 -0.570 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.679 -1.938 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.451 -3.075 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.231 -1.910 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.790 -0.732 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.095 -0.332 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.668 -1.290 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.863 -2.598 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.896 -3.352 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.032 -3.484 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.811 -2.216 -6.536 1.00 0.00 H new ATOM 360 N LYS A 27 0.421 -4.537 -0.987 1.00 0.00 N ATOM 361 CA LYS A 27 0.692 -5.969 -1.011 1.00 0.00 C ATOM 362 C LYS A 27 -0.515 -6.780 -1.451 1.00 0.00 C ATOM 363 O LYS A 27 -1.645 -6.298 -1.427 1.00 0.00 O ATOM 364 CB LYS A 27 1.140 -6.435 0.373 1.00 0.00 C ATOM 365 CG LYS A 27 0.291 -5.891 1.509 1.00 0.00 C ATOM 366 CD LYS A 27 0.493 -6.689 2.787 1.00 0.00 C ATOM 367 CE LYS A 27 -0.188 -8.046 2.713 1.00 0.00 C ATOM 368 NZ LYS A 27 -0.357 -8.659 4.059 1.00 0.00 N ATOM 0 H LYS A 27 0.230 -4.162 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 27 1.484 -6.135 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.117 -7.524 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.176 -6.134 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.546 -4.846 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.761 -5.918 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.559 -6.826 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.097 -6.128 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.164 -7.937 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.400 -8.713 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.825 -9.583 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.575 -8.787 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.940 -8.036 4.654 1.00 0.00 H new ATOM 382 N GLU A 28 -0.255 -8.020 -1.855 1.00 0.00 N ATOM 383 CA GLU A 28 -1.306 -8.919 -2.305 1.00 0.00 C ATOM 384 C GLU A 28 -1.247 -10.245 -1.550 1.00 0.00 C ATOM 385 O GLU A 28 -0.168 -10.707 -1.176 1.00 0.00 O ATOM 386 CB GLU A 28 -1.176 -9.171 -3.810 1.00 0.00 C ATOM 387 CG GLU A 28 0.235 -8.984 -4.350 1.00 0.00 C ATOM 388 CD GLU A 28 0.495 -9.801 -5.600 1.00 0.00 C ATOM 389 OE1 GLU A 28 0.512 -11.046 -5.500 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.683 -9.197 -6.676 1.00 0.00 O ATOM 0 H GLU A 28 0.681 -8.424 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.268 -8.448 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.505 -10.187 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.849 -8.497 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.399 -7.929 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.954 -9.265 -3.581 1.00 0.00 H new ATOM 397 N TRP A 29 -2.408 -10.855 -1.335 1.00 0.00 N ATOM 398 CA TRP A 29 -2.482 -12.131 -0.632 1.00 0.00 C ATOM 399 C TRP A 29 -3.730 -12.908 -1.040 1.00 0.00 C ATOM 400 O TRP A 29 -4.821 -12.347 -1.133 1.00 0.00 O ATOM 401 CB TRP A 29 -2.453 -11.916 0.888 1.00 0.00 C ATOM 402 CG TRP A 29 -3.769 -11.520 1.483 1.00 0.00 C ATOM 403 CD1 TRP A 29 -4.488 -12.232 2.391 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.515 -10.324 1.227 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.642 -11.561 2.715 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.682 -10.385 2.014 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.314 -9.209 0.409 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.640 -9.375 2.008 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.266 -8.207 0.405 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.416 -8.295 1.198 1.00 0.00 C ATOM 0 H TRP A 29 -3.310 -10.487 -1.637 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.609 -12.721 -0.913 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.114 -12.835 1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.717 -11.146 1.120 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.194 -13.188 2.799 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.353 -11.886 3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.431 -9.132 -0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.527 -9.441 2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.120 -7.340 -0.222 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.141 -7.495 1.170 1.00 0.00 H new ATOM 421 N ARG A 30 -3.558 -14.202 -1.284 1.00 0.00 N ATOM 422 CA ARG A 30 -4.667 -15.059 -1.687 1.00 0.00 C ATOM 423 C ARG A 30 -5.358 -15.670 -0.473 1.00 0.00 C ATOM 424 O ARG A 30 -4.779 -15.747 0.611 1.00 0.00 O ATOM 425 CB ARG A 30 -4.181 -16.171 -2.623 1.00 0.00 C ATOM 426 CG ARG A 30 -2.781 -16.676 -2.309 1.00 0.00 C ATOM 427 CD ARG A 30 -2.554 -18.075 -2.858 1.00 0.00 C ATOM 428 NE ARG A 30 -2.714 -19.100 -1.828 1.00 0.00 N ATOM 429 CZ ARG A 30 -2.067 -20.264 -1.827 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.219 -20.566 -2.804 1.00 0.00 N ATOM 431 NH2 ARG A 30 -2.271 -21.132 -0.846 1.00 0.00 N ATOM 0 H ARG A 30 -2.661 -14.681 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.387 -14.438 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.878 -17.007 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.202 -15.803 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.044 -15.994 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.628 -16.679 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.256 -18.264 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.552 -18.140 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.361 -18.912 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.059 -19.904 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.728 -21.460 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.923 -20.908 -0.094 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.776 -22.024 -0.843 1.00 0.00 H new ATOM 445 N ASP A 31 -6.599 -16.103 -0.665 1.00 0.00 N ATOM 446 CA ASP A 31 -7.373 -16.708 0.410 1.00 0.00 C ATOM 447 C ASP A 31 -8.521 -17.543 -0.149 1.00 0.00 C ATOM 448 O ASP A 31 -9.669 -17.099 -0.178 1.00 0.00 O ATOM 449 CB ASP A 31 -7.922 -15.628 1.344 1.00 0.00 C ATOM 450 CG ASP A 31 -8.793 -14.623 0.615 1.00 0.00 C ATOM 451 OD1 ASP A 31 -8.233 -13.702 -0.017 1.00 0.00 O ATOM 452 OD2 ASP A 31 -10.033 -14.756 0.677 1.00 0.00 O ATOM 0 H ASP A 31 -7.090 -16.046 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.710 -17.364 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.501 -16.098 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.092 -15.107 1.821 1.00 0.00 H new ATOM 457 N ASN A 32 -8.201 -18.755 -0.592 1.00 0.00 N ATOM 458 CA ASN A 32 -9.203 -19.658 -1.151 1.00 0.00 C ATOM 459 C ASN A 32 -9.731 -19.137 -2.484 1.00 0.00 C ATOM 460 O ASN A 32 -10.561 -18.229 -2.522 1.00 0.00 O ATOM 461 CB ASN A 32 -10.360 -19.847 -0.168 1.00 0.00 C ATOM 462 CG ASN A 32 -11.198 -21.069 -0.488 1.00 0.00 C ATOM 463 OD1 ASN A 32 -10.679 -22.092 -0.933 1.00 0.00 O ATOM 464 ND2 ASN A 32 -12.503 -20.967 -0.265 1.00 0.00 N ATOM 0 H ASN A 32 -7.255 -19.135 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.724 -20.621 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.963 -19.937 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.994 -18.961 -0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.118 -21.756 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.891 -20.099 0.105 1.00 0.00 H new ATOM 471 N ARG A 33 -9.250 -19.734 -3.575 1.00 0.00 N ATOM 472 CA ARG A 33 -9.662 -19.366 -4.922 1.00 0.00 C ATOM 473 C ARG A 33 -9.889 -17.857 -5.077 1.00 0.00 C ATOM 474 O ARG A 33 -10.738 -17.422 -5.856 1.00 0.00 O ATOM 475 CB ARG A 33 -10.909 -20.168 -5.299 1.00 0.00 C ATOM 476 CG ARG A 33 -12.224 -19.444 -5.059 1.00 0.00 C ATOM 477 CD ARG A 33 -13.288 -20.382 -4.511 1.00 0.00 C ATOM 478 NE ARG A 33 -14.193 -19.703 -3.587 1.00 0.00 N ATOM 479 CZ ARG A 33 -15.207 -18.932 -3.975 1.00 0.00 C ATOM 480 NH1 ARG A 33 -15.447 -18.740 -5.266 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.982 -18.352 -3.068 1.00 0.00 N ATOM 0 H ARG A 33 -8.563 -20.487 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.853 -19.612 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.846 -20.439 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.912 -21.098 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.066 -18.624 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.573 -19.003 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.862 -20.802 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.807 -21.216 -4.000 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.039 -19.827 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.853 -19.184 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.225 -18.148 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.801 -18.497 -2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.759 -17.761 -3.364 1.00 0.00 H new ATOM 495 N GLY A 34 -9.114 -17.065 -4.343 1.00 0.00 N ATOM 496 CA GLY A 34 -9.245 -15.621 -4.425 1.00 0.00 C ATOM 497 C GLY A 34 -7.981 -14.897 -4.008 1.00 0.00 C ATOM 498 O GLY A 34 -7.092 -15.487 -3.395 1.00 0.00 O ATOM 0 H GLY A 34 -8.399 -17.396 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.500 -15.340 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.070 -15.298 -3.791 1.00 0.00 H new ATOM 502 N TYR A 35 -7.904 -13.616 -4.342 1.00 0.00 N ATOM 503 CA TYR A 35 -6.741 -12.804 -3.999 1.00 0.00 C ATOM 504 C TYR A 35 -7.076 -11.317 -4.042 1.00 0.00 C ATOM 505 O TYR A 35 -7.806 -10.859 -4.921 1.00 0.00 O ATOM 506 CB TYR A 35 -5.575 -13.105 -4.947 1.00 0.00 C ATOM 507 CG TYR A 35 -6.005 -13.447 -6.356 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.168 -12.455 -7.314 1.00 0.00 C ATOM 509 CD2 TYR A 35 -6.248 -14.764 -6.728 1.00 0.00 C ATOM 510 CE1 TYR A 35 -6.561 -12.763 -8.602 1.00 0.00 C ATOM 511 CE2 TYR A 35 -6.640 -15.081 -8.014 1.00 0.00 C ATOM 512 CZ TYR A 35 -6.796 -14.078 -8.947 1.00 0.00 C ATOM 513 OH TYR A 35 -7.187 -14.390 -10.229 1.00 0.00 O ATOM 0 H TYR A 35 -8.633 -13.115 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.446 -13.061 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.913 -12.240 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.995 -13.935 -4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.984 -11.425 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.128 -15.552 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.684 -11.979 -9.335 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.823 -16.110 -8.287 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.310 -15.359 -10.307 1.00 0.00 H new ATOM 523 N ARG A 36 -6.533 -10.570 -3.088 1.00 0.00 N ATOM 524 CA ARG A 36 -6.768 -9.132 -3.012 1.00 0.00 C ATOM 525 C ARG A 36 -5.477 -8.392 -2.677 1.00 0.00 C ATOM 526 O ARG A 36 -4.436 -9.011 -2.455 1.00 0.00 O ATOM 527 CB ARG A 36 -7.835 -8.820 -1.960 1.00 0.00 C ATOM 528 CG ARG A 36 -9.123 -9.610 -2.145 1.00 0.00 C ATOM 529 CD ARG A 36 -9.382 -10.541 -0.973 1.00 0.00 C ATOM 530 NE ARG A 36 -10.204 -9.909 0.057 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.265 -10.329 1.319 1.00 0.00 C ATOM 532 NH1 ARG A 36 -9.558 -11.382 1.710 1.00 0.00 N ATOM 533 NH2 ARG A 36 -11.034 -9.693 2.192 1.00 0.00 N ATOM 0 H ARG A 36 -5.926 -10.936 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.122 -8.794 -3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.429 -9.029 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.064 -7.755 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.960 -8.921 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.065 -10.191 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.878 -11.443 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.431 -10.850 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.764 -9.098 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.964 -11.874 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.609 -11.699 2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.578 -8.883 1.897 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.081 -10.014 3.159 1.00 0.00 H new ATOM 547 N THR A 37 -5.550 -7.065 -2.641 1.00 0.00 N ATOM 548 CA THR A 37 -4.383 -6.245 -2.330 1.00 0.00 C ATOM 549 C THR A 37 -4.718 -5.203 -1.268 1.00 0.00 C ATOM 550 O THR A 37 -5.772 -4.569 -1.321 1.00 0.00 O ATOM 551 CB THR A 37 -3.867 -5.556 -3.595 1.00 0.00 C ATOM 552 OG1 THR A 37 -4.810 -4.614 -4.074 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.566 -6.520 -4.721 1.00 0.00 C ATOM 0 H THR A 37 -6.402 -6.535 -2.823 1.00 0.00 H new ATOM 0 HA THR A 37 -3.604 -6.898 -1.938 1.00 0.00 H new ATOM 0 HB THR A 37 -2.938 -5.068 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.732 -4.540 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.204 -5.966 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.803 -7.229 -4.399 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.473 -7.061 -4.989 1.00 0.00 H new ATOM 561 N GLU A 38 -3.818 -5.028 -0.303 1.00 0.00 N ATOM 562 CA GLU A 38 -4.028 -4.062 0.765 1.00 0.00 C ATOM 563 C GLU A 38 -2.939 -2.998 0.745 1.00 0.00 C ATOM 564 O GLU A 38 -1.797 -3.267 0.364 1.00 0.00 O ATOM 565 CB GLU A 38 -4.067 -4.754 2.134 1.00 0.00 C ATOM 566 CG GLU A 38 -3.363 -6.101 2.183 1.00 0.00 C ATOM 567 CD GLU A 38 -3.854 -6.972 3.323 1.00 0.00 C ATOM 568 OE1 GLU A 38 -4.203 -6.417 4.386 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.889 -8.209 3.153 1.00 0.00 O ATOM 0 H GLU A 38 -2.939 -5.543 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.992 -3.581 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.612 -4.094 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.108 -4.892 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.518 -6.623 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.290 -5.943 2.287 1.00 0.00 H new ATOM 576 N ARG A 39 -3.304 -1.788 1.149 1.00 0.00 N ATOM 577 CA ARG A 39 -2.366 -0.675 1.169 1.00 0.00 C ATOM 578 C ARG A 39 -2.392 0.047 2.516 1.00 0.00 C ATOM 579 O ARG A 39 -2.849 -0.505 3.517 1.00 0.00 O ATOM 580 CB ARG A 39 -2.693 0.305 0.040 1.00 0.00 C ATOM 581 CG ARG A 39 -3.015 -0.373 -1.283 1.00 0.00 C ATOM 582 CD ARG A 39 -4.446 -0.097 -1.721 1.00 0.00 C ATOM 583 NE ARG A 39 -4.803 -0.834 -2.930 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.850 -0.537 -3.697 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.644 0.478 -3.382 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.103 -1.258 -4.781 1.00 0.00 N ATOM 0 H ARG A 39 -4.244 -1.553 1.467 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.363 -1.074 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.542 0.920 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.847 0.977 -0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.325 -0.021 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.864 -1.448 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.129 -0.369 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.571 0.971 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.216 -1.622 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.454 1.035 -2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.445 0.701 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.496 -2.040 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.905 -1.031 -5.369 1.00 0.00 H new ATOM 600 N GLY A 40 -1.895 1.282 2.532 1.00 0.00 N ATOM 601 CA GLY A 40 -1.867 2.056 3.758 1.00 0.00 C ATOM 602 C GLY A 40 -0.625 2.920 3.857 1.00 0.00 C ATOM 603 O GLY A 40 0.250 2.859 2.994 1.00 0.00 O ATOM 0 H GLY A 40 -1.511 1.759 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.753 2.689 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.908 1.382 4.613 1.00 0.00 H new ATOM 607 N CYS A 41 -0.545 3.727 4.909 1.00 0.00 N ATOM 608 CA CYS A 41 0.600 4.602 5.109 1.00 0.00 C ATOM 609 C CYS A 41 1.775 3.832 5.701 1.00 0.00 C ATOM 610 O CYS A 41 1.677 3.269 6.792 1.00 0.00 O ATOM 611 CB CYS A 41 0.219 5.767 6.021 1.00 0.00 C ATOM 612 SG CYS A 41 -0.674 7.109 5.173 1.00 0.00 S ATOM 0 H CYS A 41 -1.259 3.792 5.634 1.00 0.00 H new ATOM 0 HA CYS A 41 0.904 4.996 4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.400 5.390 6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.124 6.174 6.471 1.00 0.00 H new ATOM 617 N GLY A 42 2.886 3.807 4.971 1.00 0.00 N ATOM 618 CA GLY A 42 4.065 3.101 5.434 1.00 0.00 C ATOM 619 C GLY A 42 4.668 2.217 4.359 1.00 0.00 C ATOM 620 O GLY A 42 4.293 2.308 3.191 1.00 0.00 O ATOM 0 H GLY A 42 2.990 4.264 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.810 3.823 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.804 2.491 6.298 1.00 0.00 H new ATOM 624 N CYS A 43 5.605 1.360 4.754 1.00 0.00 N ATOM 625 CA CYS A 43 6.259 0.457 3.813 1.00 0.00 C ATOM 626 C CYS A 43 7.108 -0.578 4.549 1.00 0.00 C ATOM 627 O CYS A 43 8.322 -0.419 4.678 1.00 0.00 O ATOM 628 CB CYS A 43 7.133 1.249 2.838 1.00 0.00 C ATOM 629 SG CYS A 43 7.710 0.285 1.403 1.00 0.00 S ATOM 0 H CYS A 43 5.928 1.272 5.718 1.00 0.00 H new ATOM 0 HA CYS A 43 5.484 -0.067 3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.570 2.111 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.000 1.635 3.375 1.00 0.00 H new ATOM 634 N PRO A 44 6.477 -1.658 5.043 1.00 0.00 N ATOM 635 CA PRO A 44 7.180 -2.721 5.767 1.00 0.00 C ATOM 636 C PRO A 44 8.022 -3.594 4.843 1.00 0.00 C ATOM 637 O PRO A 44 8.236 -3.256 3.679 1.00 0.00 O ATOM 638 CB PRO A 44 6.043 -3.537 6.384 1.00 0.00 C ATOM 639 CG PRO A 44 4.890 -3.327 5.464 1.00 0.00 C ATOM 640 CD PRO A 44 5.030 -1.926 4.933 1.00 0.00 C ATOM 0 HA PRO A 44 7.884 -2.322 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.306 -4.592 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.812 -3.196 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.902 -4.054 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.944 -3.452 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.685 -1.852 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.445 -1.215 5.517 1.00 0.00 H new ATOM 648 N SER A 45 8.497 -4.718 5.370 1.00 0.00 N ATOM 649 CA SER A 45 9.317 -5.641 4.590 1.00 0.00 C ATOM 650 C SER A 45 8.998 -7.089 4.949 1.00 0.00 C ATOM 651 O SER A 45 9.338 -7.559 6.035 1.00 0.00 O ATOM 652 CB SER A 45 10.802 -5.359 4.825 1.00 0.00 C ATOM 653 OG SER A 45 11.143 -4.044 4.422 1.00 0.00 O ATOM 0 H SER A 45 8.329 -5.012 6.332 1.00 0.00 H new ATOM 0 HA SER A 45 9.088 -5.489 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.037 -5.491 5.881 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.404 -6.080 4.271 1.00 0.00 H new ATOM 0 HG SER A 45 12.097 -3.889 4.584 1.00 0.00 H new ATOM 659 N VAL A 46 8.345 -7.791 4.030 1.00 0.00 N ATOM 660 CA VAL A 46 7.981 -9.184 4.246 1.00 0.00 C ATOM 661 C VAL A 46 8.787 -10.109 3.340 1.00 0.00 C ATOM 662 O VAL A 46 9.273 -9.694 2.287 1.00 0.00 O ATOM 663 CB VAL A 46 6.476 -9.426 4.000 1.00 0.00 C ATOM 664 CG1 VAL A 46 5.699 -9.323 5.303 1.00 0.00 C ATOM 665 CG2 VAL A 46 5.926 -8.455 2.964 1.00 0.00 C ATOM 0 H VAL A 46 8.057 -7.416 3.126 1.00 0.00 H new ATOM 0 HA VAL A 46 8.208 -9.408 5.288 1.00 0.00 H new ATOM 0 HB VAL A 46 6.356 -10.435 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.640 -9.496 5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.067 -10.070 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.832 -8.328 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.864 -8.649 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.061 -7.432 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.458 -8.588 2.022 1.00 0.00 H new ATOM 675 N LYS A 47 8.926 -11.364 3.757 1.00 0.00 N ATOM 676 CA LYS A 47 9.674 -12.348 2.982 1.00 0.00 C ATOM 677 C LYS A 47 8.857 -13.620 2.782 1.00 0.00 C ATOM 678 O LYS A 47 9.062 -14.617 3.476 1.00 0.00 O ATOM 679 CB LYS A 47 10.994 -12.680 3.682 1.00 0.00 C ATOM 680 CG LYS A 47 10.816 -13.176 5.110 1.00 0.00 C ATOM 681 CD LYS A 47 11.683 -14.394 5.393 1.00 0.00 C ATOM 682 CE LYS A 47 10.915 -15.459 6.159 1.00 0.00 C ATOM 683 NZ LYS A 47 10.419 -14.955 7.469 1.00 0.00 N ATOM 0 H LYS A 47 8.531 -11.723 4.626 1.00 0.00 H new ATOM 0 HA LYS A 47 9.886 -11.918 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.521 -13.440 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.625 -11.791 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.071 -12.378 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.769 -13.427 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.045 -14.810 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.559 -14.093 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.071 -15.800 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.559 -16.323 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.990 -15.738 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.213 -14.560 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.707 -14.214 7.309 1.00 0.00 H new ATOM 697 N LYS A 48 7.930 -13.580 1.830 1.00 0.00 N ATOM 698 CA LYS A 48 7.083 -14.730 1.538 1.00 0.00 C ATOM 699 C LYS A 48 6.149 -14.433 0.368 1.00 0.00 C ATOM 700 O LYS A 48 6.263 -13.394 -0.281 1.00 0.00 O ATOM 701 CB LYS A 48 6.267 -15.118 2.775 1.00 0.00 C ATOM 702 CG LYS A 48 6.309 -16.605 3.090 1.00 0.00 C ATOM 703 CD LYS A 48 7.085 -16.886 4.368 1.00 0.00 C ATOM 704 CE LYS A 48 7.943 -18.134 4.236 1.00 0.00 C ATOM 705 NZ LYS A 48 7.298 -19.320 4.867 1.00 0.00 N ATOM 0 H LYS A 48 7.747 -12.763 1.248 1.00 0.00 H new ATOM 0 HA LYS A 48 7.727 -15.565 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.640 -14.562 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.230 -14.816 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.292 -16.985 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.769 -17.140 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.718 -16.031 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.389 -17.008 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.127 -18.339 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.913 -17.958 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.914 -20.150 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.146 -19.135 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.383 -19.503 4.407 1.00 0.00 H new ATOM 719 N GLY A 49 5.227 -15.354 0.102 1.00 0.00 N ATOM 720 CA GLY A 49 4.289 -15.169 -0.989 1.00 0.00 C ATOM 721 C GLY A 49 3.462 -13.908 -0.834 1.00 0.00 C ATOM 722 O GLY A 49 3.283 -13.153 -1.791 1.00 0.00 O ATOM 0 H GLY A 49 5.114 -16.224 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.836 -15.128 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.625 -16.031 -1.043 1.00 0.00 H new ATOM 726 N ILE A 50 2.957 -13.679 0.374 1.00 0.00 N ATOM 727 CA ILE A 50 2.147 -12.499 0.654 1.00 0.00 C ATOM 728 C ILE A 50 3.023 -11.260 0.811 1.00 0.00 C ATOM 729 O ILE A 50 4.162 -11.348 1.271 1.00 0.00 O ATOM 730 CB ILE A 50 1.305 -12.692 1.931 1.00 0.00 C ATOM 731 CG1 ILE A 50 0.427 -13.939 1.803 1.00 0.00 C ATOM 732 CG2 ILE A 50 0.451 -11.461 2.201 1.00 0.00 C ATOM 733 CD1 ILE A 50 -0.426 -14.208 3.024 1.00 0.00 C ATOM 0 H ILE A 50 3.095 -14.295 1.175 1.00 0.00 H new ATOM 0 HA ILE A 50 1.477 -12.359 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 50 1.981 -12.829 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.222 -13.829 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.064 -14.804 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.136 -11.617 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.096 -10.592 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.220 -11.291 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.021 -15.107 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.217 -14.351 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.089 -13.360 3.199 1.00 0.00 H new ATOM 745 N GLY A 51 2.487 -10.107 0.423 1.00 0.00 N ATOM 746 CA GLY A 51 3.239 -8.869 0.529 1.00 0.00 C ATOM 747 C GLY A 51 3.538 -8.255 -0.825 1.00 0.00 C ATOM 748 O GLY A 51 2.954 -8.653 -1.834 1.00 0.00 O ATOM 0 H GLY A 51 1.548 -10.007 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.676 -8.156 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.176 -9.060 1.053 1.00 0.00 H new ATOM 752 N ILE A 52 4.462 -7.289 -0.832 1.00 0.00 N ATOM 753 CA ILE A 52 4.892 -6.595 -2.050 1.00 0.00 C ATOM 754 C ILE A 52 5.590 -5.280 -1.697 1.00 0.00 C ATOM 755 O ILE A 52 5.780 -4.964 -0.523 1.00 0.00 O ATOM 756 CB ILE A 52 3.724 -6.331 -3.047 1.00 0.00 C ATOM 757 CG1 ILE A 52 4.175 -6.645 -4.475 1.00 0.00 C ATOM 758 CG2 ILE A 52 3.205 -4.899 -2.964 1.00 0.00 C ATOM 759 CD1 ILE A 52 3.099 -7.294 -5.318 1.00 0.00 C ATOM 0 H ILE A 52 4.935 -6.965 0.012 1.00 0.00 H new ATOM 0 HA ILE A 52 5.594 -7.260 -2.554 1.00 0.00 H new ATOM 0 HB ILE A 52 2.902 -6.990 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.496 -5.722 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.043 -7.304 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.392 -4.765 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.839 -4.702 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.012 -4.205 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.488 -7.489 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.794 -8.234 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.239 -6.628 -5.387 1.00 0.00 H new ATOM 771 N ASN A 53 5.966 -4.520 -2.720 1.00 0.00 N ATOM 772 CA ASN A 53 6.640 -3.244 -2.520 1.00 0.00 C ATOM 773 C ASN A 53 5.638 -2.118 -2.253 1.00 0.00 C ATOM 774 O ASN A 53 4.450 -2.359 -1.998 1.00 0.00 O ATOM 775 CB ASN A 53 7.496 -2.905 -3.745 1.00 0.00 C ATOM 776 CG ASN A 53 8.982 -2.920 -3.434 1.00 0.00 C ATOM 777 OD1 ASN A 53 9.401 -3.381 -2.373 1.00 0.00 O ATOM 778 ND2 ASN A 53 9.784 -2.414 -4.363 1.00 0.00 N ATOM 0 H ASN A 53 5.815 -4.767 -3.698 1.00 0.00 H new ATOM 0 HA ASN A 53 7.282 -3.337 -1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.287 -3.620 -4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.216 -1.921 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.793 -2.397 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.392 -2.043 -5.228 1.00 0.00 H new ATOM 785 N CYS A 54 6.136 -0.886 -2.307 1.00 0.00 N ATOM 786 CA CYS A 54 5.309 0.290 -2.069 1.00 0.00 C ATOM 787 C CYS A 54 5.601 1.378 -3.097 1.00 0.00 C ATOM 788 O CYS A 54 6.318 1.150 -4.072 1.00 0.00 O ATOM 789 CB CYS A 54 5.550 0.837 -0.658 1.00 0.00 C ATOM 790 SG CYS A 54 5.999 -0.429 0.577 1.00 0.00 S ATOM 0 H CYS A 54 7.113 -0.677 -2.514 1.00 0.00 H new ATOM 0 HA CYS A 54 4.265 -0.010 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.344 1.582 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.649 1.351 -0.322 1.00 0.00 H new ATOM 795 N CYS A 55 5.044 2.563 -2.869 1.00 0.00 N ATOM 796 CA CYS A 55 5.246 3.693 -3.771 1.00 0.00 C ATOM 797 C CYS A 55 5.373 4.995 -2.987 1.00 0.00 C ATOM 798 O CYS A 55 5.255 5.007 -1.762 1.00 0.00 O ATOM 799 CB CYS A 55 4.091 3.792 -4.769 1.00 0.00 C ATOM 800 SG CYS A 55 2.440 3.558 -4.031 1.00 0.00 S ATOM 0 H CYS A 55 4.448 2.767 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 55 6.173 3.528 -4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.126 4.769 -5.251 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.236 3.046 -5.550 1.00 0.00 H new ATOM 805 N THR A 56 5.616 6.091 -3.700 1.00 0.00 N ATOM 806 CA THR A 56 5.761 7.396 -3.066 1.00 0.00 C ATOM 807 C THR A 56 5.199 8.503 -3.954 1.00 0.00 C ATOM 808 O THR A 56 5.943 9.338 -4.469 1.00 0.00 O ATOM 809 CB THR A 56 7.232 7.673 -2.752 1.00 0.00 C ATOM 810 OG1 THR A 56 7.389 8.961 -2.183 1.00 0.00 O ATOM 811 CG2 THR A 56 8.129 7.597 -3.968 1.00 0.00 C ATOM 0 H THR A 56 5.716 6.101 -4.715 1.00 0.00 H new ATOM 0 HA THR A 56 5.194 7.383 -2.135 1.00 0.00 H new ATOM 0 HB THR A 56 7.529 6.892 -2.052 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.072 8.950 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.158 7.804 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.069 6.599 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.807 8.333 -4.704 1.00 0.00 H new ATOM 819 N THR A 57 3.881 8.506 -4.127 1.00 0.00 N ATOM 820 CA THR A 57 3.220 9.512 -4.948 1.00 0.00 C ATOM 821 C THR A 57 1.737 9.609 -4.602 1.00 0.00 C ATOM 822 O THR A 57 1.155 8.673 -4.053 1.00 0.00 O ATOM 823 CB THR A 57 3.394 9.187 -6.433 1.00 0.00 C ATOM 824 OG1 THR A 57 3.653 7.806 -6.618 1.00 0.00 O ATOM 825 CG2 THR A 57 4.522 9.955 -7.087 1.00 0.00 C ATOM 0 H THR A 57 3.250 7.822 -3.709 1.00 0.00 H new ATOM 0 HA THR A 57 3.685 10.476 -4.741 1.00 0.00 H new ATOM 0 HB THR A 57 2.455 9.480 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.759 7.618 -7.574 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.590 9.677 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.329 11.025 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.461 9.718 -6.588 1.00 0.00 H new ATOM 833 N ASP A 58 1.130 10.747 -4.926 1.00 0.00 N ATOM 834 CA ASP A 58 -0.283 10.969 -4.650 1.00 0.00 C ATOM 835 C ASP A 58 -1.144 9.900 -5.316 1.00 0.00 C ATOM 836 O ASP A 58 -1.119 9.741 -6.536 1.00 0.00 O ATOM 837 CB ASP A 58 -0.698 12.357 -5.137 1.00 0.00 C ATOM 838 CG ASP A 58 -0.196 12.656 -6.538 1.00 0.00 C ATOM 839 OD1 ASP A 58 -0.890 12.286 -7.509 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.891 13.258 -6.662 1.00 0.00 O ATOM 0 H ASP A 58 1.598 11.531 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.436 10.906 -3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.785 12.434 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.314 13.110 -4.449 1.00 0.00 H new ATOM 845 N ARG A 59 -1.904 9.169 -4.506 1.00 0.00 N ATOM 846 CA ARG A 59 -2.771 8.113 -5.019 1.00 0.00 C ATOM 847 C ARG A 59 -1.964 7.082 -5.800 1.00 0.00 C ATOM 848 O ARG A 59 -2.472 6.452 -6.728 1.00 0.00 O ATOM 849 CB ARG A 59 -3.861 8.708 -5.912 1.00 0.00 C ATOM 850 CG ARG A 59 -4.880 9.546 -5.155 1.00 0.00 C ATOM 851 CD ARG A 59 -6.132 9.789 -5.984 1.00 0.00 C ATOM 852 NE ARG A 59 -6.246 11.182 -6.407 1.00 0.00 N ATOM 853 CZ ARG A 59 -7.029 11.593 -7.402 1.00 0.00 C ATOM 854 NH1 ARG A 59 -7.765 10.721 -8.080 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.075 12.878 -7.723 1.00 0.00 N ATOM 0 H ARG A 59 -1.937 9.288 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.239 7.615 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.393 9.325 -6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.379 7.899 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.150 9.041 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.434 10.502 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.116 9.144 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.011 9.514 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.693 11.881 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.732 9.730 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.363 11.042 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.510 13.553 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.675 13.192 -8.486 1.00 0.00 H new ATOM 869 N CYS A 60 -0.702 6.916 -5.420 1.00 0.00 N ATOM 870 CA CYS A 60 0.181 5.968 -6.081 1.00 0.00 C ATOM 871 C CYS A 60 -0.338 4.538 -5.950 1.00 0.00 C ATOM 872 O CYS A 60 0.057 3.655 -6.712 1.00 0.00 O ATOM 873 CB CYS A 60 1.588 6.078 -5.492 1.00 0.00 C ATOM 874 SG CYS A 60 1.746 5.450 -3.788 1.00 0.00 S ATOM 0 H CYS A 60 -0.268 7.430 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 60 0.212 6.212 -7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.280 5.531 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.895 7.124 -5.510 1.00 0.00 H new ATOM 879 N ASN A 61 -1.225 4.313 -4.984 1.00 0.00 N ATOM 880 CA ASN A 61 -1.791 2.986 -4.764 1.00 0.00 C ATOM 881 C ASN A 61 -3.295 2.987 -5.028 1.00 0.00 C ATOM 882 O ASN A 61 -4.094 2.722 -4.129 1.00 0.00 O ATOM 883 CB ASN A 61 -1.508 2.520 -3.334 1.00 0.00 C ATOM 884 CG ASN A 61 -1.905 3.552 -2.298 1.00 0.00 C ATOM 885 OD1 ASN A 61 -1.455 4.696 -2.339 1.00 0.00 O ATOM 886 ND2 ASN A 61 -2.757 3.150 -1.361 1.00 0.00 N ATOM 0 H ASN A 61 -1.566 5.030 -4.344 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.320 2.294 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.048 1.593 -3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.446 2.297 -3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.063 3.800 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.105 2.191 -1.366 1.00 0.00 H new ATOM 893 N ASN A 62 -3.672 3.285 -6.267 1.00 0.00 N ATOM 894 CA ASN A 62 -5.079 3.320 -6.652 1.00 0.00 C ATOM 895 C ASN A 62 -5.578 1.928 -7.020 1.00 0.00 C ATOM 896 O ASN A 62 -6.699 1.571 -6.602 1.00 0.00 O ATOM 897 CB ASN A 62 -5.282 4.277 -7.828 1.00 0.00 C ATOM 898 CG ASN A 62 -6.725 4.723 -7.967 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.588 4.324 -7.186 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.993 5.554 -8.968 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.843 1.204 -7.726 1.00 0.00 O ATOM 0 H ASN A 62 -3.023 3.506 -7.022 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.655 3.677 -5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.645 5.152 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.965 3.789 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.946 5.887 -9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.246 5.859 -9.592 1.00 0.00 H new TER 908 ASN A 62