USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 518 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 34 CYS SG : rot -158:sc= 0.0424! USER MOD Set 1.2: A 37 CYS SG : rot 49:sc= 1.07 USER MOD Set 1.3: A 54 CYS SG : rot 180:sc= -4.91! USER MOD Set 1.4: A 58 HIS :FLIP no HD1:sc= -8.03! C(o=-13!,f=-12!) USER MOD Set 2.1: A 5 CYS SG : rot 121:sc= -2.88! USER MOD Set 2.2: A 8 CYS SG : rot 1:sc=-0.00662 USER MOD Set 2.3: A 21 CYS SG : rot -77:sc= -5.13! USER MOD Set 2.4: A 24 CYS SG : rot -161:sc= -4.4! USER MOD Set 3.1: A 4 THR OG1 : rot 143:sc= 0.494 USER MOD Set 3.2: A 9 HIS : no HE2:sc= 0.205 K(o=0.7,f=-2) USER MOD Single : A 10 HIS : no HE2:sc= 0.605 K(o=0.61,f=-5.5!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0837 F(o=-1.3!,f=-0.084) USER MOD Single : A 18 THR OG1 : rot -18:sc= 0.36 USER MOD Single : A 20 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 23 THR OG1 : rot -40:sc= 0.641 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.531 K(o=-0.53,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.956) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= -0.049 (180deg=-0.433) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 9.777 7.330 6.641 1.00 0.00 N ATOM 21 CA GLU A 2 10.722 7.444 5.544 1.00 0.00 C ATOM 22 C GLU A 2 10.064 7.030 4.227 1.00 0.00 C ATOM 23 O GLU A 2 9.741 7.886 3.401 1.00 0.00 O ATOM 24 CB GLU A 2 11.958 6.587 5.846 1.00 0.00 C ATOM 25 CG GLU A 2 13.044 6.659 4.788 1.00 0.00 C ATOM 26 CD GLU A 2 14.334 5.998 5.229 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.272 4.994 5.971 1.00 0.00 O ATOM 28 OE2 GLU A 2 15.418 6.481 4.840 1.00 0.00 O ATOM 0 HA GLU A 2 11.037 8.482 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.378 6.900 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.646 5.549 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.689 6.181 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.240 7.703 4.545 1.00 0.00 H new ATOM 35 N ILE A 3 9.839 5.722 4.065 1.00 0.00 N ATOM 36 CA ILE A 3 9.197 5.159 2.870 1.00 0.00 C ATOM 37 C ILE A 3 10.084 5.322 1.636 1.00 0.00 C ATOM 38 O ILE A 3 10.689 4.357 1.176 1.00 0.00 O ATOM 39 CB ILE A 3 7.808 5.786 2.598 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.921 5.687 3.845 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.136 5.094 1.419 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.581 6.376 3.698 1.00 0.00 C ATOM 0 H ILE A 3 10.097 5.021 4.760 1.00 0.00 H new ATOM 0 HA ILE A 3 9.054 4.097 3.071 1.00 0.00 H new ATOM 0 HB ILE A 3 7.947 6.839 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.755 4.635 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.452 6.122 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.160 5.546 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.756 5.206 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.010 4.035 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.011 6.263 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.737 7.436 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.029 5.926 2.872 1.00 0.00 H new ATOM 54 N THR A 4 10.143 6.556 1.137 1.00 0.00 N ATOM 55 CA THR A 4 10.961 6.959 -0.015 1.00 0.00 C ATOM 56 C THR A 4 10.558 6.262 -1.319 1.00 0.00 C ATOM 57 O THR A 4 10.270 5.068 -1.354 1.00 0.00 O ATOM 58 CB THR A 4 12.479 6.771 0.228 1.00 0.00 C ATOM 59 OG1 THR A 4 12.831 5.385 0.324 1.00 0.00 O ATOM 60 CG2 THR A 4 12.916 7.493 1.492 1.00 0.00 C ATOM 0 H THR A 4 9.608 7.329 1.533 1.00 0.00 H new ATOM 0 HA THR A 4 10.760 8.024 -0.128 1.00 0.00 H new ATOM 0 HB THR A 4 12.996 7.200 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.701 5.238 -0.103 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.986 7.347 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.705 8.558 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.371 7.092 2.347 1.00 0.00 H new ATOM 68 N CYS A 5 10.531 7.034 -2.397 1.00 0.00 N ATOM 69 CA CYS A 5 10.232 6.493 -3.712 1.00 0.00 C ATOM 70 C CYS A 5 11.505 5.993 -4.392 1.00 0.00 C ATOM 71 O CYS A 5 12.564 6.602 -4.244 1.00 0.00 O ATOM 72 CB CYS A 5 9.545 7.556 -4.576 1.00 0.00 C ATOM 73 SG CYS A 5 9.944 9.270 -4.132 1.00 0.00 S ATOM 0 H CYS A 5 10.713 8.038 -2.385 1.00 0.00 H new ATOM 0 HA CYS A 5 9.555 5.647 -3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.821 7.391 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.466 7.419 -4.506 1.00 0.00 H new ATOM 0 HG CYS A 5 10.477 9.870 -5.155 1.00 0.00 H new ATOM 78 N PRO A 6 11.417 4.869 -5.135 1.00 0.00 N ATOM 79 CA PRO A 6 12.560 4.292 -5.866 1.00 0.00 C ATOM 80 C PRO A 6 13.206 5.302 -6.816 1.00 0.00 C ATOM 81 O PRO A 6 14.421 5.309 -7.008 1.00 0.00 O ATOM 82 CB PRO A 6 11.943 3.127 -6.658 1.00 0.00 C ATOM 83 CG PRO A 6 10.466 3.342 -6.600 1.00 0.00 C ATOM 84 CD PRO A 6 10.202 4.060 -5.310 1.00 0.00 C ATOM 0 HA PRO A 6 13.356 3.981 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.298 3.121 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.217 2.167 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.124 3.931 -7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.932 2.392 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.308 4.680 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.055 3.365 -4.483 1.00 0.00 H new ATOM 92 N VAL A 7 12.373 6.148 -7.403 1.00 0.00 N ATOM 93 CA VAL A 7 12.835 7.269 -8.202 1.00 0.00 C ATOM 94 C VAL A 7 12.472 8.541 -7.461 1.00 0.00 C ATOM 95 O VAL A 7 11.598 8.494 -6.589 1.00 0.00 O ATOM 96 CB VAL A 7 12.198 7.284 -9.612 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.627 6.060 -10.405 1.00 0.00 C ATOM 98 CG2 VAL A 7 10.679 7.356 -9.524 1.00 0.00 C ATOM 0 H VAL A 7 11.358 6.075 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 7 13.912 7.184 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 7 12.550 8.175 -10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.169 6.088 -11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.712 6.055 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.308 5.158 -9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.256 7.365 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.304 6.488 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.388 8.266 -8.999 1.00 0.00 H new ATOM 108 N CYS A 8 13.125 9.661 -7.789 1.00 0.00 N ATOM 109 CA CYS A 8 12.938 10.916 -7.051 1.00 0.00 C ATOM 110 C CYS A 8 12.872 10.634 -5.554 1.00 0.00 C ATOM 111 O CYS A 8 11.908 11.036 -4.890 1.00 0.00 O ATOM 112 CB CYS A 8 11.661 11.652 -7.503 1.00 0.00 C ATOM 113 SG CYS A 8 10.140 10.659 -7.438 1.00 0.00 S ATOM 0 H CYS A 8 13.788 9.725 -8.561 1.00 0.00 H new ATOM 0 HA CYS A 8 13.791 11.561 -7.264 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.528 12.535 -6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.804 12.004 -8.525 1.00 0.00 H new ATOM 0 HG CYS A 8 10.416 9.472 -6.984 1.00 0.00 H new ATOM 118 N HIS A 9 13.853 9.864 -5.084 1.00 0.00 N ATOM 119 CA HIS A 9 13.917 9.333 -3.715 1.00 0.00 C ATOM 120 C HIS A 9 13.666 10.389 -2.628 1.00 0.00 C ATOM 121 O HIS A 9 12.516 10.695 -2.313 1.00 0.00 O ATOM 122 CB HIS A 9 15.291 8.675 -3.497 1.00 0.00 C ATOM 123 CG HIS A 9 15.354 7.705 -2.353 1.00 0.00 C ATOM 124 ND1 HIS A 9 15.917 8.005 -1.132 1.00 0.00 N ATOM 125 CD2 HIS A 9 14.941 6.419 -2.265 1.00 0.00 C ATOM 126 CE1 HIS A 9 15.847 6.948 -0.348 1.00 0.00 C ATOM 127 NE2 HIS A 9 15.256 5.970 -1.007 1.00 0.00 N ATOM 0 H HIS A 9 14.648 9.583 -5.657 1.00 0.00 H new ATOM 0 HA HIS A 9 13.112 8.604 -3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 9 15.577 8.155 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.030 9.458 -3.331 1.00 0.00 H new ATOM 0 HD1 HIS A 9 16.324 8.904 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.453 5.850 -3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.213 6.892 0.667 1.00 0.00 H new ATOM 136 N HIS A 10 14.757 10.949 -2.102 1.00 0.00 N ATOM 137 CA HIS A 10 14.757 11.777 -0.884 1.00 0.00 C ATOM 138 C HIS A 10 13.844 11.203 0.210 1.00 0.00 C ATOM 139 O HIS A 10 14.291 10.405 1.030 1.00 0.00 O ATOM 140 CB HIS A 10 14.431 13.249 -1.190 1.00 0.00 C ATOM 141 CG HIS A 10 14.969 14.198 -0.157 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.264 15.278 0.332 1.00 0.00 N ATOM 143 CD2 HIS A 10 16.175 14.235 0.460 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.011 15.933 1.201 1.00 0.00 C ATOM 145 NE2 HIS A 10 16.171 15.318 1.297 1.00 0.00 N ATOM 0 H HIS A 10 15.684 10.841 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 10 15.772 11.751 -0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.842 13.511 -2.165 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.350 13.369 -1.257 1.00 0.00 H new ATOM 0 HD1 HIS A 10 13.313 15.531 0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.988 13.539 0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 10 14.720 16.822 1.741 1.00 0.00 H new ATOM 154 N ALA A 11 12.573 11.581 0.199 1.00 0.00 N ATOM 155 CA ALA A 11 11.617 11.117 1.200 1.00 0.00 C ATOM 156 C ALA A 11 10.190 11.183 0.669 1.00 0.00 C ATOM 157 O ALA A 11 9.931 11.789 -0.378 1.00 0.00 O ATOM 158 CB ALA A 11 11.737 11.939 2.472 1.00 0.00 C ATOM 0 H ALA A 11 12.176 12.212 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 11 11.850 10.077 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.017 11.579 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.745 11.842 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.535 12.987 2.249 1.00 0.00 H new ATOM 164 N LEU A 12 9.270 10.551 1.391 1.00 0.00 N ATOM 165 CA LEU A 12 7.857 10.579 1.042 1.00 0.00 C ATOM 166 C LEU A 12 7.017 11.001 2.238 1.00 0.00 C ATOM 167 O LEU A 12 7.343 10.685 3.386 1.00 0.00 O ATOM 168 CB LEU A 12 7.380 9.212 0.539 1.00 0.00 C ATOM 169 CG LEU A 12 7.902 8.802 -0.837 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.250 7.504 -1.288 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.648 9.904 -1.850 1.00 0.00 C ATOM 0 H LEU A 12 9.482 10.009 2.229 1.00 0.00 H new ATOM 0 HA LEU A 12 7.734 11.307 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.678 8.453 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.290 9.214 0.510 1.00 0.00 H new ATOM 0 HG LEU A 12 8.978 8.640 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.633 7.226 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.479 6.714 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.170 7.640 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.026 9.596 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.577 10.095 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.159 10.814 -1.534 1.00 0.00 H new ATOM 183 N GLU A 13 5.935 11.709 1.962 1.00 0.00 N ATOM 184 CA GLU A 13 5.046 12.194 3.000 1.00 0.00 C ATOM 185 C GLU A 13 3.736 11.417 2.976 1.00 0.00 C ATOM 186 O GLU A 13 3.245 11.043 1.909 1.00 0.00 O ATOM 187 CB GLU A 13 4.758 13.680 2.796 1.00 0.00 C ATOM 188 CG GLU A 13 3.948 14.298 3.920 1.00 0.00 C ATOM 189 CD GLU A 13 3.269 15.581 3.506 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.975 16.548 3.164 1.00 0.00 O ATOM 191 OE2 GLU A 13 2.023 15.628 3.530 1.00 0.00 O ATOM 0 H GLU A 13 5.650 11.962 1.016 1.00 0.00 H new ATOM 0 HA GLU A 13 5.532 12.051 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.703 14.216 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.222 13.813 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.195 13.585 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.602 14.495 4.769 1.00 0.00 H new ATOM 198 N ARG A 14 3.171 11.174 4.146 1.00 0.00 N ATOM 199 CA ARG A 14 1.877 10.527 4.230 1.00 0.00 C ATOM 200 C ARG A 14 0.766 11.542 4.039 1.00 0.00 C ATOM 201 O ARG A 14 0.422 12.280 4.957 1.00 0.00 O ATOM 202 CB ARG A 14 1.694 9.812 5.568 1.00 0.00 C ATOM 203 CG ARG A 14 2.449 8.501 5.671 1.00 0.00 C ATOM 204 CD ARG A 14 2.001 7.515 4.601 1.00 0.00 C ATOM 205 NE ARG A 14 0.554 7.280 4.632 1.00 0.00 N ATOM 206 CZ ARG A 14 -0.007 6.075 4.730 1.00 0.00 C ATOM 207 NH1 ARG A 14 0.752 4.989 4.848 1.00 0.00 N ATOM 208 NH2 ARG A 14 -1.330 5.957 4.712 1.00 0.00 N ATOM 0 H ARG A 14 3.587 11.414 5.046 1.00 0.00 H new ATOM 0 HA ARG A 14 1.830 9.783 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.022 10.473 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.632 9.622 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.518 8.687 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.292 8.066 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.284 7.894 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.524 6.569 4.740 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.063 8.090 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.768 5.076 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.318 4.069 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.915 6.788 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.761 5.036 4.787 1.00 0.00 H new ATOM 222 N ASN A 15 0.208 11.575 2.843 1.00 0.00 N ATOM 223 CA ASN A 15 -0.895 12.470 2.545 1.00 0.00 C ATOM 224 C ASN A 15 -2.200 11.766 2.889 1.00 0.00 C ATOM 225 O ASN A 15 -3.082 11.595 2.045 1.00 0.00 O ATOM 226 CB ASN A 15 -0.868 12.881 1.067 1.00 0.00 C ATOM 227 CG ASN A 15 -1.815 14.029 0.750 1.00 0.00 C ATOM 228 OD1 ASN A 15 -1.969 14.956 1.685 1.00 0.00 O flip ATOM 229 ND2 ASN A 15 -2.387 14.092 -0.339 1.00 0.00 N flip ATOM 0 H ASN A 15 0.501 10.991 2.060 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.806 13.378 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.147 13.169 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.131 12.020 0.452 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.243 13.359 -1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.004 14.877 -0.546 1.00 0.00 H new ATOM 236 N GLY A 16 -2.290 11.320 4.138 1.00 0.00 N ATOM 237 CA GLY A 16 -3.452 10.587 4.587 1.00 0.00 C ATOM 238 C GLY A 16 -3.495 9.191 4.004 1.00 0.00 C ATOM 239 O GLY A 16 -2.708 8.321 4.393 1.00 0.00 O ATOM 0 H GLY A 16 -1.572 11.456 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.446 10.526 5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.355 11.128 4.303 1.00 0.00 H new ATOM 243 N ASP A 17 -4.394 8.986 3.054 1.00 0.00 N ATOM 244 CA ASP A 17 -4.544 7.695 2.390 1.00 0.00 C ATOM 245 C ASP A 17 -3.540 7.560 1.255 1.00 0.00 C ATOM 246 O ASP A 17 -3.283 6.463 0.761 1.00 0.00 O ATOM 247 CB ASP A 17 -5.959 7.547 1.826 1.00 0.00 C ATOM 248 CG ASP A 17 -6.234 8.528 0.700 1.00 0.00 C ATOM 249 OD1 ASP A 17 -6.642 9.672 0.993 1.00 0.00 O ATOM 250 OD2 ASP A 17 -6.024 8.170 -0.480 1.00 0.00 O ATOM 0 H ASP A 17 -5.038 9.703 2.721 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.363 6.913 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.098 6.529 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.684 7.701 2.625 1.00 0.00 H new ATOM 255 N THR A 18 -2.955 8.680 0.860 1.00 0.00 N ATOM 256 CA THR A 18 -2.092 8.722 -0.303 1.00 0.00 C ATOM 257 C THR A 18 -0.634 8.896 0.125 1.00 0.00 C ATOM 258 O THR A 18 -0.351 9.305 1.254 1.00 0.00 O ATOM 259 CB THR A 18 -2.508 9.893 -1.225 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.936 9.944 -1.338 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.907 9.750 -2.614 1.00 0.00 C ATOM 0 H THR A 18 -3.065 9.576 1.334 1.00 0.00 H new ATOM 0 HA THR A 18 -2.191 7.782 -0.846 1.00 0.00 H new ATOM 0 HB THR A 18 -2.133 10.813 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.317 9.087 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.220 10.590 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.820 9.739 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.250 8.818 -3.065 1.00 0.00 H new ATOM 269 N ALA A 19 0.286 8.582 -0.775 1.00 0.00 N ATOM 270 CA ALA A 19 1.701 8.785 -0.516 1.00 0.00 C ATOM 271 C ALA A 19 2.212 9.901 -1.406 1.00 0.00 C ATOM 272 O ALA A 19 2.284 9.759 -2.624 1.00 0.00 O ATOM 273 CB ALA A 19 2.487 7.506 -0.766 1.00 0.00 C ATOM 0 H ALA A 19 0.076 8.186 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 19 1.837 9.060 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.544 7.683 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.120 6.719 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.361 7.199 -1.804 1.00 0.00 H new ATOM 279 N HIS A 20 2.538 11.019 -0.791 1.00 0.00 N ATOM 280 CA HIS A 20 2.919 12.209 -1.529 1.00 0.00 C ATOM 281 C HIS A 20 4.434 12.314 -1.619 1.00 0.00 C ATOM 282 O HIS A 20 5.139 12.080 -0.639 1.00 0.00 O ATOM 283 CB HIS A 20 2.330 13.448 -0.844 1.00 0.00 C ATOM 284 CG HIS A 20 2.636 14.743 -1.535 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.010 15.143 -2.696 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.508 15.730 -1.220 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.480 16.324 -3.061 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.388 16.700 -2.181 1.00 0.00 N ATOM 0 H HIS A 20 2.547 11.130 0.223 1.00 0.00 H new ATOM 0 HA HIS A 20 2.524 12.145 -2.543 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.248 13.332 -0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.708 13.497 0.177 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.297 14.612 -3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.174 15.749 -0.370 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.173 16.885 -3.931 1.00 0.00 H new ATOM 297 N CYS A 21 4.927 12.664 -2.793 1.00 0.00 N ATOM 298 CA CYS A 21 6.350 12.855 -2.984 1.00 0.00 C ATOM 299 C CYS A 21 6.776 14.214 -2.441 1.00 0.00 C ATOM 300 O CYS A 21 6.150 15.233 -2.724 1.00 0.00 O ATOM 301 CB CYS A 21 6.711 12.727 -4.465 1.00 0.00 C ATOM 302 SG CYS A 21 6.947 11.033 -5.047 1.00 0.00 S ATOM 0 H CYS A 21 4.362 12.821 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 21 6.885 12.081 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.924 13.193 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.625 13.290 -4.651 1.00 0.00 H new ATOM 0 HG CYS A 21 8.112 10.601 -4.665 1.00 0.00 H new ATOM 307 N GLU A 22 7.834 14.215 -1.644 1.00 0.00 N ATOM 308 CA GLU A 22 8.290 15.426 -0.978 1.00 0.00 C ATOM 309 C GLU A 22 9.016 16.364 -1.946 1.00 0.00 C ATOM 310 O GLU A 22 8.594 17.500 -2.155 1.00 0.00 O ATOM 311 CB GLU A 22 9.202 15.054 0.189 1.00 0.00 C ATOM 312 CG GLU A 22 9.775 16.253 0.920 1.00 0.00 C ATOM 313 CD GLU A 22 11.282 16.191 1.000 1.00 0.00 C ATOM 314 OE1 GLU A 22 11.944 16.477 -0.021 1.00 0.00 O ATOM 315 OE2 GLU A 22 11.814 15.835 2.067 1.00 0.00 O ATOM 0 H GLU A 22 8.395 13.387 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 22 7.417 15.959 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.642 14.442 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.022 14.440 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.475 17.168 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.359 16.299 1.926 1.00 0.00 H new ATOM 322 N THR A 23 10.084 15.874 -2.563 1.00 0.00 N ATOM 323 CA THR A 23 10.909 16.702 -3.430 1.00 0.00 C ATOM 324 C THR A 23 10.511 16.458 -4.880 1.00 0.00 C ATOM 325 O THR A 23 11.229 16.793 -5.825 1.00 0.00 O ATOM 326 CB THR A 23 12.409 16.387 -3.209 1.00 0.00 C ATOM 327 OG1 THR A 23 13.236 17.259 -3.987 1.00 0.00 O ATOM 328 CG2 THR A 23 12.721 14.939 -3.556 1.00 0.00 C ATOM 0 H THR A 23 10.398 14.907 -2.478 1.00 0.00 H new ATOM 0 HA THR A 23 10.751 17.753 -3.189 1.00 0.00 H new ATOM 0 HB THR A 23 12.624 16.548 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.832 17.391 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.781 14.746 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.129 14.278 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.477 14.755 -4.602 1.00 0.00 H new ATOM 336 N CYS A 24 9.330 15.893 -5.039 1.00 0.00 N ATOM 337 CA CYS A 24 8.850 15.453 -6.328 1.00 0.00 C ATOM 338 C CYS A 24 7.359 15.727 -6.452 1.00 0.00 C ATOM 339 O CYS A 24 6.614 15.562 -5.490 1.00 0.00 O ATOM 340 CB CYS A 24 9.139 13.956 -6.473 1.00 0.00 C ATOM 341 SG CYS A 24 9.816 13.192 -4.957 1.00 0.00 S ATOM 0 H CYS A 24 8.677 15.727 -4.273 1.00 0.00 H new ATOM 0 HA CYS A 24 9.359 15.999 -7.122 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.218 13.442 -6.749 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.844 13.808 -7.291 1.00 0.00 H new ATOM 0 HG CYS A 24 10.396 12.068 -5.259 1.00 0.00 H new ATOM 346 N ALA A 25 6.923 16.161 -7.620 1.00 0.00 N ATOM 347 CA ALA A 25 5.507 16.387 -7.850 1.00 0.00 C ATOM 348 C ALA A 25 4.838 15.086 -8.260 1.00 0.00 C ATOM 349 O ALA A 25 4.622 14.831 -9.448 1.00 0.00 O ATOM 350 CB ALA A 25 5.290 17.461 -8.903 1.00 0.00 C ATOM 0 H ALA A 25 7.523 16.363 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 25 5.055 16.739 -6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.221 17.610 -9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.743 18.395 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.750 17.150 -9.841 1.00 0.00 H new ATOM 356 N LYS A 26 4.563 14.244 -7.277 1.00 0.00 N ATOM 357 CA LYS A 26 4.000 12.930 -7.528 1.00 0.00 C ATOM 358 C LYS A 26 3.157 12.473 -6.343 1.00 0.00 C ATOM 359 O LYS A 26 3.431 12.842 -5.197 1.00 0.00 O ATOM 360 CB LYS A 26 5.127 11.921 -7.773 1.00 0.00 C ATOM 361 CG LYS A 26 4.646 10.572 -8.272 1.00 0.00 C ATOM 362 CD LYS A 26 4.717 10.483 -9.784 1.00 0.00 C ATOM 363 CE LYS A 26 6.140 10.239 -10.257 1.00 0.00 C ATOM 364 NZ LYS A 26 6.203 9.959 -11.715 1.00 0.00 N ATOM 0 H LYS A 26 4.723 14.451 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 26 3.363 12.989 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.824 12.339 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.681 11.778 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.253 9.782 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.620 10.406 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.072 9.677 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.339 11.406 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.752 11.111 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.565 9.399 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.192 9.799 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.640 9.111 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.821 10.771 -12.241 1.00 0.00 H new ATOM 378 N ASP A 27 2.134 11.681 -6.625 1.00 0.00 N ATOM 379 CA ASP A 27 1.324 11.058 -5.589 1.00 0.00 C ATOM 380 C ASP A 27 1.136 9.584 -5.920 1.00 0.00 C ATOM 381 O ASP A 27 0.737 9.237 -7.033 1.00 0.00 O ATOM 382 CB ASP A 27 -0.043 11.746 -5.459 1.00 0.00 C ATOM 383 CG ASP A 27 0.059 13.204 -5.053 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.161 13.491 -3.840 1.00 0.00 O ATOM 385 OD2 ASP A 27 0.020 14.079 -5.945 1.00 0.00 O ATOM 0 H ASP A 27 1.842 11.452 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 27 1.840 11.162 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.570 11.676 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.643 11.211 -4.723 1.00 0.00 H new ATOM 390 N PHE A 28 1.446 8.716 -4.970 1.00 0.00 N ATOM 391 CA PHE A 28 1.357 7.278 -5.190 1.00 0.00 C ATOM 392 C PHE A 28 0.185 6.675 -4.434 1.00 0.00 C ATOM 393 O PHE A 28 -0.183 7.146 -3.356 1.00 0.00 O ATOM 394 CB PHE A 28 2.636 6.576 -4.736 1.00 0.00 C ATOM 395 CG PHE A 28 3.883 7.035 -5.431 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.044 6.862 -6.797 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.907 7.618 -4.708 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.204 7.269 -7.426 1.00 0.00 C ATOM 399 CE2 PHE A 28 6.066 8.027 -5.333 1.00 0.00 C ATOM 400 CZ PHE A 28 6.216 7.853 -6.691 1.00 0.00 C ATOM 0 H PHE A 28 1.762 8.981 -4.037 1.00 0.00 H new ATOM 0 HA PHE A 28 1.213 7.130 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.757 6.729 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.522 5.504 -4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.255 6.404 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.798 7.755 -3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.319 7.131 -8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.857 8.484 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.124 8.173 -7.180 1.00 0.00 H new ATOM 410 N SER A 29 -0.389 5.628 -5.001 1.00 0.00 N ATOM 411 CA SER A 29 -1.412 4.861 -4.324 1.00 0.00 C ATOM 412 C SER A 29 -0.749 3.763 -3.499 1.00 0.00 C ATOM 413 O SER A 29 0.172 3.099 -3.975 1.00 0.00 O ATOM 414 CB SER A 29 -2.366 4.251 -5.350 1.00 0.00 C ATOM 415 OG SER A 29 -2.888 5.252 -6.212 1.00 0.00 O ATOM 0 H SER A 29 -0.159 5.290 -5.936 1.00 0.00 H new ATOM 0 HA SER A 29 -1.984 5.512 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.842 3.497 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.183 3.744 -4.837 1.00 0.00 H new ATOM 0 HG SER A 29 -3.495 4.840 -6.862 1.00 0.00 H new ATOM 421 N LEU A 30 -1.190 3.585 -2.266 1.00 0.00 N ATOM 422 CA LEU A 30 -0.597 2.580 -1.400 1.00 0.00 C ATOM 423 C LEU A 30 -1.518 1.381 -1.245 1.00 0.00 C ATOM 424 O LEU A 30 -2.708 1.530 -0.968 1.00 0.00 O ATOM 425 CB LEU A 30 -0.270 3.172 -0.027 1.00 0.00 C ATOM 426 CG LEU A 30 0.832 4.233 -0.026 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.053 4.772 1.375 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.126 3.659 -0.579 1.00 0.00 C ATOM 0 H LEU A 30 -1.950 4.118 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 30 0.329 2.245 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.177 3.612 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.026 2.362 0.640 1.00 0.00 H new ATOM 0 HG LEU A 30 0.514 5.055 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.841 5.525 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.130 5.221 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.347 3.957 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.898 4.428 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.444 2.819 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.965 3.318 -1.602 1.00 0.00 H new ATOM 440 N GLN A 31 -0.960 0.197 -1.425 1.00 0.00 N ATOM 441 CA GLN A 31 -1.706 -1.037 -1.262 1.00 0.00 C ATOM 442 C GLN A 31 -1.196 -1.786 -0.039 1.00 0.00 C ATOM 443 O GLN A 31 -0.073 -2.288 -0.032 1.00 0.00 O ATOM 444 CB GLN A 31 -1.565 -1.910 -2.514 1.00 0.00 C ATOM 445 CG GLN A 31 -2.410 -3.174 -2.478 1.00 0.00 C ATOM 446 CD GLN A 31 -2.201 -4.052 -3.699 1.00 0.00 C ATOM 447 OE1 GLN A 31 -1.118 -4.088 -4.279 1.00 0.00 O ATOM 448 NE2 GLN A 31 -3.241 -4.768 -4.098 1.00 0.00 N ATOM 0 H GLN A 31 0.017 0.064 -1.687 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.761 -0.800 -1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.844 -1.322 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.518 -2.187 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.168 -3.743 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.463 -2.901 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.124 -4.711 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.159 -5.376 -4.913 1.00 0.00 H new ATOM 457 N ALA A 32 -2.012 -1.828 1.004 1.00 0.00 N ATOM 458 CA ALA A 32 -1.641 -2.510 2.236 1.00 0.00 C ATOM 459 C ALA A 32 -1.876 -4.009 2.107 1.00 0.00 C ATOM 460 O ALA A 32 -2.995 -4.485 2.268 1.00 0.00 O ATOM 461 CB ALA A 32 -2.426 -1.943 3.411 1.00 0.00 C ATOM 0 H ALA A 32 -2.936 -1.397 1.022 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.579 -2.345 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.138 -2.462 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.209 -0.880 3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.493 -2.081 3.236 1.00 0.00 H new ATOM 467 N LEU A 33 -0.823 -4.742 1.798 1.00 0.00 N ATOM 468 CA LEU A 33 -0.935 -6.175 1.579 1.00 0.00 C ATOM 469 C LEU A 33 -0.342 -6.934 2.762 1.00 0.00 C ATOM 470 O LEU A 33 0.419 -6.370 3.553 1.00 0.00 O ATOM 471 CB LEU A 33 -0.203 -6.560 0.287 1.00 0.00 C ATOM 472 CG LEU A 33 -0.669 -7.855 -0.380 1.00 0.00 C ATOM 473 CD1 LEU A 33 -2.123 -7.741 -0.812 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.213 -8.168 -1.578 1.00 0.00 C ATOM 0 H LEU A 33 0.121 -4.370 1.693 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.988 -6.440 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.314 -5.745 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.861 -6.649 0.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.588 -8.668 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.436 -8.672 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.748 -7.549 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.228 -6.921 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.125 -9.092 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.152 -7.352 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.245 -8.285 -1.249 1.00 0.00 H new ATOM 486 N CYS A 34 -0.676 -8.208 2.879 1.00 0.00 N ATOM 487 CA CYS A 34 -0.117 -9.034 3.931 1.00 0.00 C ATOM 488 C CYS A 34 1.080 -9.810 3.390 1.00 0.00 C ATOM 489 O CYS A 34 0.950 -10.637 2.490 1.00 0.00 O ATOM 490 CB CYS A 34 -1.186 -9.968 4.518 1.00 0.00 C ATOM 491 SG CYS A 34 -2.255 -10.766 3.294 1.00 0.00 S ATOM 0 H CYS A 34 -1.329 -8.690 2.261 1.00 0.00 H new ATOM 0 HA CYS A 34 0.229 -8.397 4.745 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.690 -10.741 5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.809 -9.396 5.206 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.364 -11.135 3.862 1.00 0.00 H new ATOM 496 N PRO A 35 2.275 -9.519 3.926 1.00 0.00 N ATOM 497 CA PRO A 35 3.546 -10.036 3.400 1.00 0.00 C ATOM 498 C PRO A 35 3.833 -11.483 3.796 1.00 0.00 C ATOM 499 O PRO A 35 4.940 -11.984 3.594 1.00 0.00 O ATOM 500 CB PRO A 35 4.575 -9.099 4.026 1.00 0.00 C ATOM 501 CG PRO A 35 3.968 -8.682 5.321 1.00 0.00 C ATOM 502 CD PRO A 35 2.480 -8.640 5.095 1.00 0.00 C ATOM 0 HA PRO A 35 3.549 -10.056 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.529 -9.604 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.770 -8.239 3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.221 -9.386 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.342 -7.706 5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.933 -9.000 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.134 -7.625 4.898 1.00 0.00 H new ATOM 510 N ASP A 36 2.837 -12.151 4.350 1.00 0.00 N ATOM 511 CA ASP A 36 2.994 -13.540 4.753 1.00 0.00 C ATOM 512 C ASP A 36 1.941 -14.397 4.071 1.00 0.00 C ATOM 513 O ASP A 36 2.259 -15.278 3.273 1.00 0.00 O ATOM 514 CB ASP A 36 2.888 -13.675 6.273 1.00 0.00 C ATOM 515 CG ASP A 36 3.360 -15.028 6.765 1.00 0.00 C ATOM 516 OD1 ASP A 36 4.590 -15.245 6.809 1.00 0.00 O ATOM 517 OD2 ASP A 36 2.514 -15.872 7.120 1.00 0.00 O ATOM 0 H ASP A 36 1.914 -11.757 4.531 1.00 0.00 H new ATOM 0 HA ASP A 36 3.983 -13.884 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.480 -12.892 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.853 -13.521 6.578 1.00 0.00 H new ATOM 522 N CYS A 37 0.686 -14.105 4.367 1.00 0.00 N ATOM 523 CA CYS A 37 -0.437 -14.791 3.751 1.00 0.00 C ATOM 524 C CYS A 37 -0.934 -14.003 2.544 1.00 0.00 C ATOM 525 O CYS A 37 -2.132 -13.781 2.402 1.00 0.00 O ATOM 526 CB CYS A 37 -1.555 -14.947 4.785 1.00 0.00 C ATOM 527 SG CYS A 37 -1.932 -13.426 5.697 1.00 0.00 S ATOM 0 H CYS A 37 0.417 -13.387 5.040 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.122 -15.777 3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.458 -15.289 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.273 -15.724 5.495 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.075 -12.442 4.860 1.00 0.00 H new ATOM 532 N ARG A 38 0.002 -13.617 1.670 1.00 0.00 N ATOM 533 CA ARG A 38 -0.277 -12.704 0.557 1.00 0.00 C ATOM 534 C ARG A 38 -1.468 -13.151 -0.291 1.00 0.00 C ATOM 535 O ARG A 38 -1.349 -13.984 -1.192 1.00 0.00 O ATOM 536 CB ARG A 38 0.973 -12.515 -0.316 1.00 0.00 C ATOM 537 CG ARG A 38 0.725 -11.685 -1.567 1.00 0.00 C ATOM 538 CD ARG A 38 2.022 -11.309 -2.267 1.00 0.00 C ATOM 539 NE ARG A 38 2.836 -12.474 -2.611 1.00 0.00 N ATOM 540 CZ ARG A 38 3.433 -12.643 -3.792 1.00 0.00 C ATOM 541 NH1 ARG A 38 3.239 -11.773 -4.775 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.209 -13.698 -3.997 1.00 0.00 N ATOM 0 H ARG A 38 0.972 -13.928 1.714 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.549 -11.745 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.752 -12.037 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.352 -13.494 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.091 -12.245 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.182 -10.779 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.792 -10.751 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.599 -10.645 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 38 2.954 -13.201 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.630 -10.968 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.699 -11.909 -5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.349 -14.380 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.666 -13.828 -4.900 1.00 0.00 H new ATOM 556 N GLN A 39 -2.614 -12.580 0.040 1.00 0.00 N ATOM 557 CA GLN A 39 -3.866 -12.790 -0.668 1.00 0.00 C ATOM 558 C GLN A 39 -4.686 -11.518 -0.524 1.00 0.00 C ATOM 559 O GLN A 39 -4.432 -10.748 0.397 1.00 0.00 O ATOM 560 CB GLN A 39 -4.644 -13.973 -0.071 1.00 0.00 C ATOM 561 CG GLN A 39 -4.014 -15.335 -0.317 1.00 0.00 C ATOM 562 CD GLN A 39 -4.764 -16.455 0.377 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.445 -16.829 1.508 1.00 0.00 O ATOM 564 NE2 GLN A 39 -5.782 -16.981 -0.281 1.00 0.00 N ATOM 0 H GLN A 39 -2.702 -11.940 0.830 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.667 -13.018 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.741 -13.821 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.652 -13.974 -0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.986 -15.531 -1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.981 -15.323 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.014 -16.644 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.336 -17.724 0.145 1.00 0.00 H new ATOM 573 N PRO A 40 -5.656 -11.263 -1.413 1.00 0.00 N ATOM 574 CA PRO A 40 -6.518 -10.076 -1.318 1.00 0.00 C ATOM 575 C PRO A 40 -7.146 -9.922 0.070 1.00 0.00 C ATOM 576 O PRO A 40 -7.900 -10.787 0.520 1.00 0.00 O ATOM 577 CB PRO A 40 -7.596 -10.338 -2.371 1.00 0.00 C ATOM 578 CG PRO A 40 -6.936 -11.225 -3.366 1.00 0.00 C ATOM 579 CD PRO A 40 -5.991 -12.093 -2.584 1.00 0.00 C ATOM 0 HA PRO A 40 -5.962 -9.152 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.472 -10.816 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.936 -9.410 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.671 -11.829 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.401 -10.641 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.458 -13.033 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.104 -12.346 -3.164 1.00 0.00 H new ATOM 587 N LEU A 41 -6.805 -8.831 0.752 1.00 0.00 N ATOM 588 CA LEU A 41 -7.330 -8.558 2.086 1.00 0.00 C ATOM 589 C LEU A 41 -8.752 -8.012 1.986 1.00 0.00 C ATOM 590 O LEU A 41 -9.304 -7.893 0.893 1.00 0.00 O ATOM 591 CB LEU A 41 -6.440 -7.554 2.845 1.00 0.00 C ATOM 592 CG LEU A 41 -5.051 -8.058 3.275 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.121 -8.203 2.088 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.433 -7.120 4.302 1.00 0.00 C ATOM 0 H LEU A 41 -6.165 -8.119 0.400 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.336 -9.496 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.304 -6.674 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.976 -7.228 3.736 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.187 -9.041 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.149 -8.561 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.543 -8.917 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.001 -7.236 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.451 -7.495 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.328 -6.125 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.076 -7.068 5.181 1.00 0.00 H new ATOM 606 N GLN A 42 -9.342 -7.674 3.121 1.00 0.00 N ATOM 607 CA GLN A 42 -10.690 -7.139 3.135 1.00 0.00 C ATOM 608 C GLN A 42 -10.650 -5.619 3.193 1.00 0.00 C ATOM 609 O GLN A 42 -9.828 -5.035 3.906 1.00 0.00 O ATOM 610 CB GLN A 42 -11.480 -7.696 4.323 1.00 0.00 C ATOM 611 CG GLN A 42 -12.914 -7.194 4.386 1.00 0.00 C ATOM 612 CD GLN A 42 -13.694 -7.774 5.550 1.00 0.00 C ATOM 613 OE1 GLN A 42 -13.132 -8.099 6.593 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.999 -7.899 5.380 1.00 0.00 N ATOM 0 H GLN A 42 -8.909 -7.761 4.040 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.192 -7.443 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.487 -8.785 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.968 -7.428 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.909 -6.107 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.422 -7.444 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.428 -7.617 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.577 -8.277 6.131 1.00 0.00 H new ATOM 623 N VAL A 43 -11.520 -4.984 2.423 1.00 0.00 N ATOM 624 CA VAL A 43 -11.622 -3.536 2.423 1.00 0.00 C ATOM 625 C VAL A 43 -12.440 -3.075 3.625 1.00 0.00 C ATOM 626 O VAL A 43 -13.671 -3.054 3.580 1.00 0.00 O ATOM 627 CB VAL A 43 -12.275 -3.017 1.121 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.346 -1.496 1.112 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.519 -3.524 -0.098 1.00 0.00 C ATOM 0 H VAL A 43 -12.167 -5.452 1.789 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.613 -3.128 2.484 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.294 -3.402 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.810 -1.159 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.940 -1.154 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.339 -1.084 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.995 -3.148 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.487 -3.174 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.533 -4.614 -0.107 1.00 0.00 H new ATOM 639 N LEU A 44 -11.758 -2.744 4.710 1.00 0.00 N ATOM 640 CA LEU A 44 -12.430 -2.294 5.918 1.00 0.00 C ATOM 641 C LEU A 44 -12.695 -0.800 5.852 1.00 0.00 C ATOM 642 O LEU A 44 -11.777 0.014 5.957 1.00 0.00 O ATOM 643 CB LEU A 44 -11.604 -2.629 7.162 1.00 0.00 C ATOM 644 CG LEU A 44 -11.423 -4.122 7.435 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.608 -4.337 8.698 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.774 -4.809 7.555 1.00 0.00 C ATOM 0 H LEU A 44 -10.741 -2.778 4.779 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.383 -2.818 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.620 -2.172 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.080 -2.171 8.029 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.884 -4.561 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.489 -5.406 8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.627 -3.877 8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.122 -3.882 9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.626 -5.871 7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.336 -4.365 8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.330 -4.684 6.626 1.00 0.00 H new ATOM 658 N LYS A 45 -13.953 -0.447 5.662 1.00 0.00 N ATOM 659 CA LYS A 45 -14.346 0.947 5.562 1.00 0.00 C ATOM 660 C LYS A 45 -14.820 1.466 6.910 1.00 0.00 C ATOM 661 O LYS A 45 -15.957 1.222 7.315 1.00 0.00 O ATOM 662 CB LYS A 45 -15.448 1.116 4.517 1.00 0.00 C ATOM 663 CG LYS A 45 -15.011 0.756 3.107 1.00 0.00 C ATOM 664 CD LYS A 45 -16.178 0.803 2.138 1.00 0.00 C ATOM 665 CE LYS A 45 -15.736 0.522 0.713 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.893 0.440 -0.214 1.00 0.00 N ATOM 0 H LYS A 45 -14.723 -1.110 5.573 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.477 1.527 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.299 0.494 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.792 2.150 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.234 1.446 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.573 -0.242 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.929 0.072 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.651 1.784 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.058 1.308 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.178 -0.414 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.553 0.247 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.527 -0.327 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.411 1.342 -0.204 1.00 0.00 H new ATOM 680 N ALA A 46 -13.936 2.158 7.608 1.00 0.00 N ATOM 681 CA ALA A 46 -14.274 2.758 8.887 1.00 0.00 C ATOM 682 C ALA A 46 -14.679 4.210 8.681 1.00 0.00 C ATOM 683 O ALA A 46 -13.823 5.090 8.572 1.00 0.00 O ATOM 684 CB ALA A 46 -13.106 2.652 9.855 1.00 0.00 C ATOM 0 H ALA A 46 -12.974 2.319 7.309 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.115 2.218 9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.380 3.107 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.858 1.602 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.241 3.170 9.440 1.00 0.00 H new ATOM 690 N CYS A 47 -15.990 4.435 8.595 1.00 0.00 N ATOM 691 CA CYS A 47 -16.554 5.751 8.301 1.00 0.00 C ATOM 692 C CYS A 47 -16.123 6.227 6.912 1.00 0.00 C ATOM 693 O CYS A 47 -16.842 6.032 5.932 1.00 0.00 O ATOM 694 CB CYS A 47 -16.156 6.772 9.371 1.00 0.00 C ATOM 695 SG CYS A 47 -16.572 6.263 11.053 1.00 0.00 S ATOM 0 H CYS A 47 -16.692 3.707 8.728 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.640 5.660 8.310 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -15.082 6.949 9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -16.648 7.721 9.156 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.198 7.184 11.890 1.00 0.00 H new ATOM 701 N GLY A 48 -14.940 6.821 6.829 1.00 0.00 N ATOM 702 CA GLY A 48 -14.427 7.282 5.557 1.00 0.00 C ATOM 703 C GLY A 48 -12.986 6.866 5.342 1.00 0.00 C ATOM 704 O GLY A 48 -12.359 7.253 4.357 1.00 0.00 O ATOM 0 H GLY A 48 -14.325 6.992 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.044 6.883 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.502 8.368 5.508 1.00 0.00 H new ATOM 708 N ALA A 49 -12.463 6.075 6.267 1.00 0.00 N ATOM 709 CA ALA A 49 -11.088 5.611 6.183 1.00 0.00 C ATOM 710 C ALA A 49 -11.046 4.133 5.819 1.00 0.00 C ATOM 711 O ALA A 49 -11.664 3.302 6.486 1.00 0.00 O ATOM 712 CB ALA A 49 -10.364 5.861 7.497 1.00 0.00 C ATOM 0 H ALA A 49 -12.972 5.741 7.086 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.579 6.171 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.336 5.508 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.366 6.929 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.871 5.325 8.299 1.00 0.00 H new ATOM 718 N VAL A 50 -10.325 3.811 4.757 1.00 0.00 N ATOM 719 CA VAL A 50 -10.242 2.442 4.279 1.00 0.00 C ATOM 720 C VAL A 50 -8.951 1.776 4.731 1.00 0.00 C ATOM 721 O VAL A 50 -7.856 2.222 4.385 1.00 0.00 O ATOM 722 CB VAL A 50 -10.330 2.373 2.738 1.00 0.00 C ATOM 723 CG1 VAL A 50 -10.170 0.942 2.244 1.00 0.00 C ATOM 724 CG2 VAL A 50 -11.643 2.963 2.247 1.00 0.00 C ATOM 0 H VAL A 50 -9.787 4.482 4.209 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.091 1.910 4.708 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.511 2.965 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.236 0.923 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.199 0.556 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.960 0.321 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.684 2.904 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.475 2.402 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.712 4.006 2.557 1.00 0.00 H new ATOM 734 N ASP A 51 -9.086 0.716 5.511 1.00 0.00 N ATOM 735 CA ASP A 51 -7.952 -0.112 5.889 1.00 0.00 C ATOM 736 C ASP A 51 -8.022 -1.440 5.160 1.00 0.00 C ATOM 737 O ASP A 51 -9.024 -2.153 5.243 1.00 0.00 O ATOM 738 CB ASP A 51 -7.914 -0.370 7.401 1.00 0.00 C ATOM 739 CG ASP A 51 -7.109 0.663 8.170 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.859 0.607 8.125 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.719 1.507 8.861 1.00 0.00 O ATOM 0 H ASP A 51 -9.978 0.407 5.898 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.045 0.425 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.934 -0.384 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.491 -1.358 7.583 1.00 0.00 H new ATOM 746 N TYR A 52 -6.979 -1.762 4.422 1.00 0.00 N ATOM 747 CA TYR A 52 -6.899 -3.048 3.757 1.00 0.00 C ATOM 748 C TYR A 52 -6.308 -4.051 4.739 1.00 0.00 C ATOM 749 O TYR A 52 -5.104 -4.056 4.985 1.00 0.00 O ATOM 750 CB TYR A 52 -6.052 -2.935 2.485 1.00 0.00 C ATOM 751 CG TYR A 52 -6.439 -3.910 1.395 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.760 -4.025 0.980 1.00 0.00 C ATOM 753 CD2 TYR A 52 -5.489 -4.710 0.782 1.00 0.00 C ATOM 754 CE1 TYR A 52 -8.119 -4.911 -0.017 1.00 0.00 C ATOM 755 CE2 TYR A 52 -5.837 -5.599 -0.216 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.153 -5.698 -0.614 1.00 0.00 C ATOM 757 OH TYR A 52 -7.497 -6.593 -1.601 1.00 0.00 O ATOM 0 H TYR A 52 -6.176 -1.152 4.267 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.889 -3.386 3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.135 -1.920 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.005 -3.093 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.518 -3.412 1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.456 -4.637 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.150 -4.988 -0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.081 -6.214 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.695 -7.063 -1.911 1.00 0.00 H new ATOM 767 N PHE A 53 -7.173 -4.864 5.329 1.00 0.00 N ATOM 768 CA PHE A 53 -6.801 -5.676 6.481 1.00 0.00 C ATOM 769 C PHE A 53 -7.434 -7.057 6.394 1.00 0.00 C ATOM 770 O PHE A 53 -8.562 -7.207 5.926 1.00 0.00 O ATOM 771 CB PHE A 53 -7.269 -4.947 7.745 1.00 0.00 C ATOM 772 CG PHE A 53 -6.630 -5.418 9.019 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.326 -5.065 9.320 1.00 0.00 C ATOM 774 CD2 PHE A 53 -7.340 -6.191 9.922 1.00 0.00 C ATOM 775 CE1 PHE A 53 -4.737 -5.482 10.496 1.00 0.00 C ATOM 776 CE2 PHE A 53 -6.755 -6.610 11.102 1.00 0.00 C ATOM 777 CZ PHE A 53 -5.454 -6.254 11.390 1.00 0.00 C ATOM 0 H PHE A 53 -8.141 -4.980 5.028 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.720 -5.815 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.069 -3.882 7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.349 -5.061 7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.764 -4.457 8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.360 -6.469 9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.717 -5.205 10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.316 -7.216 11.798 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.996 -6.578 12.313 1.00 0.00 H new ATOM 787 N CYS A 54 -6.690 -8.071 6.809 1.00 0.00 N ATOM 788 CA CYS A 54 -7.209 -9.410 6.887 1.00 0.00 C ATOM 789 C CYS A 54 -8.218 -9.477 8.023 1.00 0.00 C ATOM 790 O CYS A 54 -7.894 -9.113 9.148 1.00 0.00 O ATOM 791 CB CYS A 54 -6.070 -10.393 7.155 1.00 0.00 C ATOM 792 SG CYS A 54 -4.630 -10.211 6.079 1.00 0.00 S ATOM 0 H CYS A 54 -5.716 -7.980 7.098 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.689 -9.674 5.945 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.748 -10.278 8.190 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.455 -11.408 7.052 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.733 -11.095 6.401 1.00 0.00 H new ATOM 797 N GLN A 55 -9.433 -9.910 7.738 1.00 0.00 N ATOM 798 CA GLN A 55 -10.441 -10.032 8.778 1.00 0.00 C ATOM 799 C GLN A 55 -11.501 -11.044 8.369 1.00 0.00 C ATOM 800 O GLN A 55 -11.784 -11.201 7.181 1.00 0.00 O ATOM 801 CB GLN A 55 -11.086 -8.670 9.058 1.00 0.00 C ATOM 802 CG GLN A 55 -11.983 -8.659 10.285 1.00 0.00 C ATOM 803 CD GLN A 55 -12.638 -7.314 10.521 1.00 0.00 C ATOM 804 OE1 GLN A 55 -13.742 -7.049 10.042 1.00 0.00 O ATOM 805 NE2 GLN A 55 -11.964 -6.453 11.267 1.00 0.00 N ATOM 0 H GLN A 55 -9.745 -10.181 6.805 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.958 -10.382 9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.300 -7.926 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.671 -8.369 8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.756 -9.419 10.171 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.395 -8.931 11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.052 -6.710 11.645 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.356 -5.532 11.463 1.00 0.00 H new ATOM 814 N ASN A 56 -12.038 -11.750 9.364 1.00 0.00 N ATOM 815 CA ASN A 56 -13.151 -12.683 9.173 1.00 0.00 C ATOM 816 C ASN A 56 -12.884 -13.651 8.030 1.00 0.00 C ATOM 817 O ASN A 56 -13.682 -13.776 7.098 1.00 0.00 O ATOM 818 CB ASN A 56 -14.455 -11.913 8.934 1.00 0.00 C ATOM 819 CG ASN A 56 -14.835 -11.044 10.118 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.523 -11.364 11.267 1.00 0.00 O ATOM 821 ND2 ASN A 56 -15.497 -9.930 9.852 1.00 0.00 N ATOM 0 H ASN A 56 -11.713 -11.691 10.329 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.250 -13.273 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.348 -11.288 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.260 -12.620 8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.766 -9.303 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.738 -9.698 8.889 1.00 0.00 H new ATOM 828 N GLY A 57 -11.754 -14.337 8.101 1.00 0.00 N ATOM 829 CA GLY A 57 -11.406 -15.292 7.076 1.00 0.00 C ATOM 830 C GLY A 57 -9.947 -15.220 6.698 1.00 0.00 C ATOM 831 O GLY A 57 -9.220 -16.209 6.815 1.00 0.00 O ATOM 0 H GLY A 57 -11.071 -14.247 8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.639 -16.298 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.017 -15.112 6.192 1.00 0.00 H new ATOM 835 N HIS A 58 -9.511 -14.049 6.245 1.00 0.00 N ATOM 836 CA HIS A 58 -8.121 -13.863 5.849 1.00 0.00 C ATOM 837 C HIS A 58 -7.224 -13.979 7.076 1.00 0.00 C ATOM 838 O HIS A 58 -6.335 -14.824 7.127 1.00 0.00 O ATOM 839 CB HIS A 58 -7.924 -12.509 5.165 1.00 0.00 C ATOM 840 CG HIS A 58 -6.728 -12.449 4.256 1.00 0.00 C ATOM 841 ND1 HIS A 58 -6.626 -12.061 2.966 1.00 0.00 N flip ATOM 842 CD2 HIS A 58 -5.456 -12.823 4.635 1.00 0.00 C flip ATOM 843 CE1 HIS A 58 -5.314 -12.200 2.597 1.00 0.00 C flip ATOM 844 NE2 HIS A 58 -4.632 -12.664 3.624 1.00 0.00 N flip ATOM 0 H HIS A 58 -10.096 -13.220 6.144 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.852 -14.639 5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.818 -12.272 4.588 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.825 -11.739 5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.180 -13.190 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.906 -11.967 1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.632 -12.866 3.633 1.00 0.00 H new ATOM 852 N GLY A 59 -7.444 -13.114 8.057 1.00 0.00 N ATOM 853 CA GLY A 59 -6.793 -13.275 9.342 1.00 0.00 C ATOM 854 C GLY A 59 -6.657 -11.959 10.059 1.00 0.00 C ATOM 855 O GLY A 59 -7.651 -11.403 10.516 1.00 0.00 O ATOM 0 H GLY A 59 -8.061 -12.305 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.366 -13.968 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.807 -13.716 9.199 1.00 0.00 H new ATOM 859 N LEU A 60 -5.422 -11.474 10.139 1.00 0.00 N ATOM 860 CA LEU A 60 -5.101 -10.151 10.670 1.00 0.00 C ATOM 861 C LEU A 60 -3.591 -10.001 10.726 1.00 0.00 C ATOM 862 O LEU A 60 -2.869 -10.993 10.852 1.00 0.00 O ATOM 863 CB LEU A 60 -5.724 -9.926 12.065 1.00 0.00 C ATOM 864 CG LEU A 60 -5.413 -10.985 13.134 1.00 0.00 C ATOM 865 CD1 LEU A 60 -4.078 -10.714 13.813 1.00 0.00 C ATOM 866 CD2 LEU A 60 -6.532 -11.035 14.162 1.00 0.00 C ATOM 0 H LEU A 60 -4.602 -11.997 9.832 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.526 -9.395 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.388 -8.958 12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.806 -9.865 11.950 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.342 -11.953 12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.889 -11.482 14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.282 -10.730 13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.106 -9.736 14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.301 -11.789 14.915 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.629 -10.061 14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.469 -11.291 13.668 1.00 0.00 H new ATOM 878 N ILE A 61 -3.107 -8.781 10.599 1.00 0.00 N ATOM 879 CA ILE A 61 -1.681 -8.527 10.674 1.00 0.00 C ATOM 880 C ILE A 61 -1.422 -7.421 11.674 1.00 0.00 C ATOM 881 O ILE A 61 -2.253 -6.531 11.844 1.00 0.00 O ATOM 882 CB ILE A 61 -1.059 -8.098 9.317 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.873 -8.611 8.122 1.00 0.00 C ATOM 884 CG2 ILE A 61 0.378 -8.593 9.217 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.013 -7.694 7.725 1.00 0.00 C ATOM 0 H ILE A 61 -3.679 -7.951 10.444 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.216 -9.467 10.973 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.073 -7.009 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.208 -8.740 7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.276 -9.595 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.803 -8.286 8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.967 -8.167 10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.394 -9.681 9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.544 -8.121 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.701 -7.584 8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.615 -6.717 7.452 1.00 0.00 H new ATOM 897 N SER A 62 -0.291 -7.482 12.348 1.00 0.00 N ATOM 898 CA SER A 62 0.144 -6.362 13.153 1.00 0.00 C ATOM 899 C SER A 62 0.370 -5.177 12.225 1.00 0.00 C ATOM 900 O SER A 62 1.048 -5.311 11.201 1.00 0.00 O ATOM 901 CB SER A 62 1.428 -6.710 13.911 1.00 0.00 C ATOM 902 OG SER A 62 1.843 -5.641 14.744 1.00 0.00 O ATOM 0 H SER A 62 0.336 -8.286 12.354 1.00 0.00 H new ATOM 0 HA SER A 62 -0.615 -6.115 13.895 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.265 -7.602 14.516 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.219 -6.947 13.200 1.00 0.00 H new ATOM 0 HG SER A 62 2.664 -5.894 15.216 1.00 0.00 H new ATOM 908 N LYS A 63 -0.191 -4.022 12.569 1.00 0.00 N ATOM 909 CA LYS A 63 -0.127 -2.858 11.691 1.00 0.00 C ATOM 910 C LYS A 63 1.281 -2.266 11.669 1.00 0.00 C ATOM 911 O LYS A 63 1.512 -1.197 11.108 1.00 0.00 O ATOM 912 CB LYS A 63 -1.154 -1.795 12.097 1.00 0.00 C ATOM 913 CG LYS A 63 -2.585 -2.316 12.141 1.00 0.00 C ATOM 914 CD LYS A 63 -3.608 -1.192 12.044 1.00 0.00 C ATOM 915 CE LYS A 63 -3.716 -0.655 10.622 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.724 0.432 10.503 1.00 0.00 N ATOM 0 H LYS A 63 -0.692 -3.867 13.444 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.373 -3.193 10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.889 -1.402 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.100 -0.963 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.740 -3.018 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.741 -2.868 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.582 -1.556 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.327 -0.384 12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.743 -0.282 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.982 -1.469 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.897 0.636 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.612 0.133 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.368 1.288 10.974 1.00 0.00 H new ATOM 930 N LYS A 64 2.212 -2.978 12.286 1.00 0.00 N ATOM 931 CA LYS A 64 3.619 -2.616 12.255 1.00 0.00 C ATOM 932 C LYS A 64 4.338 -3.345 11.119 1.00 0.00 C ATOM 933 O LYS A 64 5.432 -2.955 10.713 1.00 0.00 O ATOM 934 CB LYS A 64 4.284 -2.978 13.584 1.00 0.00 C ATOM 935 CG LYS A 64 3.700 -2.258 14.787 1.00 0.00 C ATOM 936 CD LYS A 64 4.317 -2.765 16.081 1.00 0.00 C ATOM 937 CE LYS A 64 3.904 -1.918 17.273 1.00 0.00 C ATOM 938 NZ LYS A 64 4.361 -0.511 17.132 1.00 0.00 N ATOM 0 H LYS A 64 2.012 -3.823 12.822 1.00 0.00 H new ATOM 0 HA LYS A 64 3.690 -1.541 12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.197 -4.053 13.740 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.348 -2.750 13.519 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.874 -1.186 14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.620 -2.404 14.813 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.014 -3.799 16.247 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.403 -2.761 15.992 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.819 -1.940 17.376 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.320 -2.346 18.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.357 -0.050 18.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.325 -0.497 16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.721 -0.001 16.490 1.00 0.00 H new ATOM 952 N ARG A 65 3.725 -4.414 10.607 1.00 0.00 N ATOM 953 CA ARG A 65 4.385 -5.261 9.613 1.00 0.00 C ATOM 954 C ARG A 65 3.555 -5.373 8.336 1.00 0.00 C ATOM 955 O ARG A 65 3.702 -6.324 7.571 1.00 0.00 O ATOM 956 CB ARG A 65 4.641 -6.666 10.178 1.00 0.00 C ATOM 957 CG ARG A 65 5.056 -6.685 11.641 1.00 0.00 C ATOM 958 CD ARG A 65 5.879 -7.918 11.984 1.00 0.00 C ATOM 959 NE ARG A 65 5.403 -9.126 11.308 1.00 0.00 N ATOM 960 CZ ARG A 65 5.196 -10.293 11.918 1.00 0.00 C ATOM 961 NH1 ARG A 65 5.260 -10.380 13.242 1.00 0.00 N ATOM 962 NH2 ARG A 65 4.898 -11.366 11.199 1.00 0.00 N ATOM 0 H ARG A 65 2.783 -4.711 10.861 1.00 0.00 H new ATOM 0 HA ARG A 65 5.338 -4.790 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.736 -7.263 10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.419 -7.147 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.635 -5.789 11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.167 -6.656 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.920 -7.741 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.854 -8.077 13.062 1.00 0.00 H new ATOM 0 HE ARG A 65 5.218 -9.071 10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.469 -9.551 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.101 -11.276 13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.828 -11.296 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.739 -12.261 11.661 1.00 0.00 H new ATOM 976 N VAL A 66 2.686 -4.400 8.105 1.00 0.00 N ATOM 977 CA VAL A 66 1.876 -4.379 6.891 1.00 0.00 C ATOM 978 C VAL A 66 2.742 -3.995 5.694 1.00 0.00 C ATOM 979 O VAL A 66 3.533 -3.052 5.768 1.00 0.00 O ATOM 980 CB VAL A 66 0.696 -3.392 7.015 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.162 -3.408 5.759 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.145 -3.720 8.238 1.00 0.00 C ATOM 0 H VAL A 66 2.522 -3.617 8.738 1.00 0.00 H new ATOM 0 HA VAL A 66 1.468 -5.379 6.745 1.00 0.00 H new ATOM 0 HB VAL A 66 1.105 -2.388 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.986 -2.704 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.445 -3.121 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.560 -4.411 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.973 -3.014 8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.538 -4.733 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.472 -3.649 9.134 1.00 0.00 H new ATOM 992 N ASN A 67 2.605 -4.731 4.600 1.00 0.00 N ATOM 993 CA ASN A 67 3.406 -4.481 3.411 1.00 0.00 C ATOM 994 C ASN A 67 2.722 -3.454 2.522 1.00 0.00 C ATOM 995 O ASN A 67 1.818 -3.785 1.754 1.00 0.00 O ATOM 996 CB ASN A 67 3.635 -5.779 2.629 1.00 0.00 C ATOM 997 CG ASN A 67 4.552 -5.593 1.431 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.457 -4.758 1.444 1.00 0.00 O ATOM 999 ND2 ASN A 67 4.328 -6.376 0.384 1.00 0.00 N ATOM 0 H ASN A 67 1.947 -5.505 4.512 1.00 0.00 H new ATOM 0 HA ASN A 67 4.373 -4.090 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.063 -6.528 3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.675 -6.167 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.915 -6.298 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.569 -7.057 0.409 1.00 0.00 H new ATOM 1006 N PHE A 68 3.135 -2.204 2.656 1.00 0.00 N ATOM 1007 CA PHE A 68 2.589 -1.131 1.841 1.00 0.00 C ATOM 1008 C PHE A 68 3.283 -1.089 0.489 1.00 0.00 C ATOM 1009 O PHE A 68 4.449 -0.704 0.387 1.00 0.00 O ATOM 1010 CB PHE A 68 2.733 0.219 2.551 1.00 0.00 C ATOM 1011 CG PHE A 68 1.924 0.333 3.811 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.587 0.695 3.758 1.00 0.00 C ATOM 1013 CD2 PHE A 68 2.497 0.079 5.046 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.161 0.804 4.913 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.753 0.187 6.206 1.00 0.00 C ATOM 1016 CZ PHE A 68 0.422 0.548 6.139 1.00 0.00 C ATOM 0 H PHE A 68 3.848 -1.907 3.323 1.00 0.00 H new ATOM 0 HA PHE A 68 1.528 -1.327 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.784 0.383 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.434 1.012 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.125 0.894 2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.537 -0.207 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.201 1.089 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.212 -0.011 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.162 0.630 7.044 1.00 0.00 H new ATOM 1026 N VAL A 69 2.563 -1.493 -0.544 1.00 0.00 N ATOM 1027 CA VAL A 69 3.110 -1.518 -1.889 1.00 0.00 C ATOM 1028 C VAL A 69 2.747 -0.237 -2.629 1.00 0.00 C ATOM 1029 O VAL A 69 1.587 0.182 -2.634 1.00 0.00 O ATOM 1030 CB VAL A 69 2.587 -2.734 -2.688 1.00 0.00 C ATOM 1031 CG1 VAL A 69 3.230 -2.797 -4.066 1.00 0.00 C ATOM 1032 CG2 VAL A 69 2.832 -4.025 -1.924 1.00 0.00 C ATOM 0 H VAL A 69 1.596 -1.809 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 69 4.193 -1.600 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 69 1.512 -2.612 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.845 -3.661 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.995 -1.888 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.311 -2.887 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.456 -4.868 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.901 -4.150 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.314 -3.985 -0.966 1.00 0.00 H new ATOM 1042 N ILE A 70 3.744 0.388 -3.239 1.00 0.00 N ATOM 1043 CA ILE A 70 3.535 1.612 -3.990 1.00 0.00 C ATOM 1044 C ILE A 70 3.000 1.288 -5.379 1.00 0.00 C ATOM 1045 O ILE A 70 3.679 0.646 -6.181 1.00 0.00 O ATOM 1046 CB ILE A 70 4.841 2.426 -4.115 1.00 0.00 C ATOM 1047 CG1 ILE A 70 5.340 2.838 -2.726 1.00 0.00 C ATOM 1048 CG2 ILE A 70 4.622 3.650 -4.994 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.647 3.603 -2.748 1.00 0.00 C ATOM 0 H ILE A 70 4.711 0.063 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 70 2.807 2.215 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 70 5.601 1.802 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.579 3.451 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.463 1.944 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.552 4.213 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.306 3.333 -5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.851 4.282 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.935 3.860 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.423 2.985 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.525 4.516 -3.331 1.00 0.00 H new ATOM 1061 N SER A 71 1.782 1.716 -5.654 1.00 0.00 N ATOM 1062 CA SER A 71 1.149 1.427 -6.927 1.00 0.00 C ATOM 1063 C SER A 71 0.977 2.693 -7.761 1.00 0.00 C ATOM 1064 O SER A 71 0.232 3.601 -7.388 1.00 0.00 O ATOM 1065 CB SER A 71 -0.210 0.767 -6.691 1.00 0.00 C ATOM 1066 OG SER A 71 -0.079 -0.384 -5.873 1.00 0.00 O ATOM 0 H SER A 71 1.211 2.266 -5.012 1.00 0.00 H new ATOM 0 HA SER A 71 1.794 0.745 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.887 1.479 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.655 0.490 -7.647 1.00 0.00 H new ATOM 0 HG SER A 71 -0.961 -0.789 -5.734 1.00 0.00 H new