USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 hydrogens (4 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 NoAdj-H: B 1 PCA H1 : B 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: B 1 PCA H3 : B 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: B 35 SER OG : rot 103:sc= 0.316 USER MOD Set 1.2: B 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: B 10 THR OG1 : rot -66:sc= 1.71 USER MOD Set 2.2: B 24 GLN : amide:sc= -0.0375 X(o=1.7,f=1.4) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.102) USER MOD Single : B 8 SER OG : rot -90:sc= -0.792 USER MOD Single : B 12 SER OG : rot 180:sc= -0.323 USER MOD Single : B 17 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.8!) USER MOD Single : B 18 ASN : amide:sc= 0.841 K(o=0.84,f=-3.9!) USER MOD Single : B 23 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 30 LYS NZ :NH3+ 139:sc= -0.115 (180deg=-0.533) USER MOD Single : B 33 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.49) USER MOD Single : B 37 ASN : amide:sc= -3.71! C(o=-3.7!,f=-7.2!) USER MOD Single : B 38 TYR OH : rot -132:sc= 0.545 USER MOD Single : B 43 HIS : no HE2:sc= -0.787 X(o=-0.79,f=-0.97) USER MOD Single : B 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0657) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 3.665 -14.535 -5.192 1.00 0.00 N HETATM 2 CA PCA B 1 4.531 -13.435 -4.725 1.00 0.00 C HETATM 3 CB PCA B 1 3.754 -12.119 -4.826 1.00 0.00 C HETATM 4 CG PCA B 1 2.376 -12.532 -5.232 1.00 0.00 C HETATM 5 CD PCA B 1 2.502 -14.013 -5.523 1.00 0.00 C HETATM 6 OE PCA B 1 1.715 -14.570 -6.292 1.00 0.00 O HETATM 7 C PCA B 1 4.974 -13.665 -3.286 1.00 0.00 C HETATM 8 O PCA B 1 4.194 -14.124 -2.454 1.00 0.00 O HETATM 0 H2 PCA B 1 3.376 -14.356 -6.175 1.00 0.00 H new HETATM 0 HA PCA B 1 5.423 -13.394 -5.350 1.00 0.00 H new HETATM 0 HB2 PCA B 1 3.746 -11.588 -3.874 1.00 0.00 H new HETATM 0 HB3 PCA B 1 4.201 -11.449 -5.561 1.00 0.00 H new HETATM 0 HG2 PCA B 1 1.653 -12.342 -4.438 1.00 0.00 H new HETATM 0 HG3 PCA B 1 2.038 -11.981 -6.110 1.00 0.00 H new ATOM 13 N ARG B 2 6.224 -13.324 -2.994 1.00 0.00 N ATOM 14 CA ARG B 2 6.774 -13.463 -1.645 1.00 0.00 C ATOM 15 C ARG B 2 6.343 -12.289 -0.768 1.00 0.00 C ATOM 16 O ARG B 2 7.146 -11.695 -0.046 1.00 0.00 O ATOM 17 CB ARG B 2 8.304 -13.531 -1.707 1.00 0.00 C ATOM 18 CG ARG B 2 8.928 -12.337 -2.410 1.00 0.00 C ATOM 19 CD ARG B 2 10.415 -12.234 -2.136 1.00 0.00 C ATOM 20 NE ARG B 2 10.983 -11.022 -2.719 1.00 0.00 N ATOM 21 CZ ARG B 2 11.913 -10.272 -2.130 1.00 0.00 C ATOM 22 NH1 ARG B 2 12.413 -10.624 -0.949 1.00 0.00 N ATOM 23 NH2 ARG B 2 12.343 -9.169 -2.730 1.00 0.00 N ATOM 0 H ARG B 2 6.882 -12.947 -3.676 1.00 0.00 H new ATOM 0 HA ARG B 2 6.391 -14.385 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG B 2 8.700 -13.595 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG B 2 8.600 -14.444 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG B 2 8.762 -12.420 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG B 2 8.434 -11.423 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG B 2 10.589 -12.238 -1.060 1.00 0.00 H new ATOM 0 HD3 ARG B 2 10.923 -13.108 -2.544 1.00 0.00 H new ATOM 0 HE ARG B 2 10.646 -10.731 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG B 2 12.085 -11.473 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG B 2 13.125 -10.045 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG B 2 11.961 -8.900 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.055 -8.590 -2.284 1.00 0.00 H new ATOM 37 N LEU B 3 5.068 -11.967 -0.820 1.00 0.00 N ATOM 38 CA LEU B 3 4.565 -10.771 -0.177 1.00 0.00 C ATOM 39 C LEU B 3 3.420 -11.099 0.764 1.00 0.00 C ATOM 40 O LEU B 3 2.547 -11.900 0.432 1.00 0.00 O ATOM 41 CB LEU B 3 4.088 -9.773 -1.237 1.00 0.00 C ATOM 42 CG LEU B 3 5.138 -9.353 -2.274 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.500 -8.520 -3.373 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.271 -8.577 -1.619 1.00 0.00 C ATOM 0 H LEU B 3 4.359 -12.519 -1.303 1.00 0.00 H new ATOM 0 HA LEU B 3 5.375 -10.331 0.405 1.00 0.00 H new ATOM 0 HB2 LEU B 3 3.238 -10.208 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.726 -8.878 -0.731 1.00 0.00 H new ATOM 0 HG LEU B 3 5.553 -10.259 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.260 -8.232 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.727 -9.105 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.055 -7.625 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.001 -8.291 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.871 -7.681 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.753 -9.202 -0.867 1.00 0.00 H new ATOM 56 N CYS B 4 3.447 -10.499 1.939 1.00 0.00 N ATOM 57 CA CYS B 4 2.326 -10.561 2.858 1.00 0.00 C ATOM 58 C CYS B 4 1.692 -9.183 2.943 1.00 0.00 C ATOM 59 O CYS B 4 2.366 -8.194 3.253 1.00 0.00 O ATOM 60 CB CYS B 4 2.763 -11.054 4.241 1.00 0.00 C ATOM 61 SG CYS B 4 2.961 -12.865 4.354 1.00 0.00 S ATOM 0 H CYS B 4 4.241 -9.958 2.282 1.00 0.00 H new ATOM 0 HA CYS B 4 1.594 -11.278 2.486 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.708 -10.578 4.503 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.028 -10.732 4.979 1.00 0.00 H new ATOM 66 N GLU B 5 0.410 -9.116 2.635 1.00 0.00 N ATOM 67 CA GLU B 5 -0.269 -7.842 2.481 1.00 0.00 C ATOM 68 C GLU B 5 -0.556 -7.181 3.824 1.00 0.00 C ATOM 69 O GLU B 5 -0.712 -7.848 4.848 1.00 0.00 O ATOM 70 CB GLU B 5 -1.574 -8.010 1.706 1.00 0.00 C ATOM 71 CG GLU B 5 -1.445 -8.793 0.412 1.00 0.00 C ATOM 72 CD GLU B 5 -1.568 -10.287 0.609 1.00 0.00 C ATOM 73 OE1 GLU B 5 -2.710 -10.786 0.670 1.00 0.00 O ATOM 74 OE2 GLU B 5 -0.531 -10.967 0.693 1.00 0.00 O ATOM 0 H GLU B 5 -0.184 -9.932 2.486 1.00 0.00 H new ATOM 0 HA GLU B 5 0.404 -7.194 1.920 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.300 -8.510 2.347 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -1.976 -7.023 1.479 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.213 -8.460 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.481 -8.571 -0.046 1.00 0.00 H new ATOM 81 N LYS B 6 -0.625 -5.861 3.793 1.00 0.00 N ATOM 82 CA LYS B 6 -0.900 -5.056 4.968 1.00 0.00 C ATOM 83 C LYS B 6 -1.878 -3.942 4.610 1.00 0.00 C ATOM 84 O LYS B 6 -1.692 -3.255 3.607 1.00 0.00 O ATOM 85 CB LYS B 6 0.399 -4.435 5.492 1.00 0.00 C ATOM 86 CG LYS B 6 0.199 -3.510 6.680 1.00 0.00 C ATOM 87 CD LYS B 6 1.517 -2.941 7.175 1.00 0.00 C ATOM 88 CE LYS B 6 1.298 -1.859 8.220 1.00 0.00 C ATOM 89 NZ LYS B 6 0.506 -2.347 9.380 1.00 0.00 N ATOM 0 H LYS B 6 -0.490 -5.314 2.943 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.334 -5.693 5.739 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.084 -5.234 5.776 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.876 -3.878 4.686 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.467 -2.694 6.398 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.289 -4.055 7.488 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.124 -3.741 7.599 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.076 -2.529 6.334 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.264 -1.494 8.570 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.785 -1.013 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.497 -1.621 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -0.469 -2.544 9.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.935 -3.218 9.752 1.00 0.00 H new ATOM 103 N PRO B 7 -2.940 -3.760 5.406 1.00 0.00 N ATOM 104 CA PRO B 7 -3.872 -2.649 5.217 1.00 0.00 C ATOM 105 C PRO B 7 -3.163 -1.305 5.352 1.00 0.00 C ATOM 106 O PRO B 7 -2.503 -1.042 6.361 1.00 0.00 O ATOM 107 CB PRO B 7 -4.906 -2.835 6.334 1.00 0.00 C ATOM 108 CG PRO B 7 -4.252 -3.734 7.326 1.00 0.00 C ATOM 109 CD PRO B 7 -3.321 -4.611 6.541 1.00 0.00 C ATOM 0 HA PRO B 7 -4.321 -2.649 4.224 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -5.174 -1.880 6.785 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.826 -3.276 5.950 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.707 -3.158 8.074 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.992 -4.330 7.859 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.454 -4.908 7.131 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.812 -5.527 6.211 1.00 0.00 H new ATOM 117 N SER B 8 -3.297 -0.477 4.320 1.00 0.00 N ATOM 118 CA SER B 8 -2.607 0.806 4.244 1.00 0.00 C ATOM 119 C SER B 8 -2.823 1.654 5.494 1.00 0.00 C ATOM 120 O SER B 8 -3.948 1.797 5.984 1.00 0.00 O ATOM 121 CB SER B 8 -3.086 1.569 3.010 1.00 0.00 C ATOM 122 OG SER B 8 -4.503 1.557 2.933 1.00 0.00 O ATOM 0 H SER B 8 -3.887 -0.677 3.513 1.00 0.00 H new ATOM 0 HA SER B 8 -1.538 0.604 4.171 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.727 2.598 3.050 1.00 0.00 H new ATOM 0 HB3 SER B 8 -2.664 1.119 2.111 1.00 0.00 H new ATOM 0 HG SER B 8 -4.796 0.777 2.416 1.00 0.00 H new ATOM 128 N GLY B 9 -1.736 2.208 6.002 1.00 0.00 N ATOM 129 CA GLY B 9 -1.805 3.074 7.158 1.00 0.00 C ATOM 130 C GLY B 9 -1.707 4.534 6.774 1.00 0.00 C ATOM 131 O GLY B 9 -1.677 5.413 7.636 1.00 0.00 O ATOM 0 H GLY B 9 -0.796 2.071 5.630 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.742 2.900 7.687 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.998 2.825 7.847 1.00 0.00 H new ATOM 135 N THR B 10 -1.655 4.800 5.476 1.00 0.00 N ATOM 136 CA THR B 10 -1.590 6.167 4.985 1.00 0.00 C ATOM 137 C THR B 10 -2.845 6.498 4.197 1.00 0.00 C ATOM 138 O THR B 10 -3.199 7.664 4.008 1.00 0.00 O ATOM 139 CB THR B 10 -0.350 6.394 4.098 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.311 5.424 3.041 1.00 0.00 O ATOM 141 CG2 THR B 10 0.925 6.312 4.924 1.00 0.00 C ATOM 0 H THR B 10 -1.657 4.088 4.746 1.00 0.00 H new ATOM 0 HA THR B 10 -1.514 6.825 5.851 1.00 0.00 H new ATOM 0 HB THR B 10 -0.419 7.391 3.664 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.164 4.532 3.420 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.788 6.475 4.278 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.904 7.075 5.702 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.997 5.327 5.384 1.00 0.00 H new ATOM 149 N TRP B 11 -3.518 5.455 3.745 1.00 0.00 N ATOM 150 CA TRP B 11 -4.755 5.602 3.011 1.00 0.00 C ATOM 151 C TRP B 11 -5.915 5.579 3.988 1.00 0.00 C ATOM 152 O TRP B 11 -5.749 5.217 5.157 1.00 0.00 O ATOM 153 CB TRP B 11 -4.892 4.468 2.000 1.00 0.00 C ATOM 154 CG TRP B 11 -5.823 4.743 0.853 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.164 4.479 0.785 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.463 5.306 -0.410 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.660 4.871 -0.435 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.632 5.376 -1.188 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.262 5.765 -0.957 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.635 5.887 -2.482 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.263 6.270 -2.242 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.441 6.329 -2.994 1.00 0.00 C ATOM 0 H TRP B 11 -3.222 4.488 3.877 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.756 6.550 2.472 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -3.905 4.239 1.599 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.238 3.576 2.523 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.747 4.029 1.575 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.633 4.798 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.348 5.725 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.544 5.934 -3.063 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.339 6.625 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.410 6.730 -3.996 1.00 0.00 H new ATOM 173 N SER B 12 -7.075 5.962 3.512 1.00 0.00 N ATOM 174 CA SER B 12 -8.260 6.051 4.356 1.00 0.00 C ATOM 175 C SER B 12 -9.528 5.987 3.514 1.00 0.00 C ATOM 176 O SER B 12 -9.530 6.391 2.349 1.00 0.00 O ATOM 177 CB SER B 12 -8.245 7.356 5.160 1.00 0.00 C ATOM 178 OG SER B 12 -7.043 7.496 5.902 1.00 0.00 O ATOM 0 H SER B 12 -7.232 6.221 2.538 1.00 0.00 H new ATOM 0 HA SER B 12 -8.249 5.205 5.043 1.00 0.00 H new ATOM 0 HB2 SER B 12 -8.357 8.203 4.483 1.00 0.00 H new ATOM 0 HB3 SER B 12 -9.097 7.376 5.839 1.00 0.00 H new ATOM 0 HG SER B 12 -7.064 8.338 6.402 1.00 0.00 H new ATOM 184 N GLY B 13 -10.596 5.472 4.109 1.00 0.00 N ATOM 185 CA GLY B 13 -11.885 5.449 3.447 1.00 0.00 C ATOM 186 C GLY B 13 -11.949 4.447 2.316 1.00 0.00 C ATOM 187 O GLY B 13 -11.275 3.415 2.345 1.00 0.00 O ATOM 0 H GLY B 13 -10.591 5.067 5.045 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -12.659 5.214 4.178 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.105 6.443 3.058 1.00 0.00 H new ATOM 191 N VAL B 14 -12.758 4.758 1.315 1.00 0.00 N ATOM 192 CA VAL B 14 -12.949 3.891 0.177 1.00 0.00 C ATOM 193 C VAL B 14 -11.824 4.080 -0.837 1.00 0.00 C ATOM 194 O VAL B 14 -11.370 5.203 -1.076 1.00 0.00 O ATOM 195 CB VAL B 14 -14.303 4.187 -0.498 1.00 0.00 C ATOM 196 CG1 VAL B 14 -14.569 3.207 -1.618 1.00 0.00 C ATOM 197 CG2 VAL B 14 -15.434 4.160 0.518 1.00 0.00 C ATOM 0 H VAL B 14 -13.299 5.622 1.275 1.00 0.00 H new ATOM 0 HA VAL B 14 -12.939 2.860 0.530 1.00 0.00 H new ATOM 0 HB VAL B 14 -14.255 5.189 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -15.530 3.435 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -13.779 3.285 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -14.590 2.194 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -16.378 4.372 0.017 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -15.482 3.175 0.982 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -15.253 4.914 1.284 1.00 0.00 H new ATOM 207 N CYS B 15 -11.365 2.982 -1.410 1.00 0.00 N ATOM 208 CA CYS B 15 -10.354 3.025 -2.450 1.00 0.00 C ATOM 209 C CYS B 15 -10.992 2.775 -3.814 1.00 0.00 C ATOM 210 O CYS B 15 -11.992 2.062 -3.922 1.00 0.00 O ATOM 211 CB CYS B 15 -9.258 1.995 -2.163 1.00 0.00 C ATOM 212 SG CYS B 15 -8.093 1.728 -3.538 1.00 0.00 S ATOM 0 H CYS B 15 -11.680 2.042 -1.170 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.898 4.015 -2.462 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -8.697 2.315 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -9.728 1.044 -1.912 1.00 0.00 H new ATOM 217 N GLY B 16 -10.427 3.385 -4.847 1.00 0.00 N ATOM 218 CA GLY B 16 -10.949 3.219 -6.187 1.00 0.00 C ATOM 219 C GLY B 16 -9.860 3.304 -7.229 1.00 0.00 C ATOM 220 O GLY B 16 -10.090 3.777 -8.344 1.00 0.00 O ATOM 0 H GLY B 16 -9.612 3.995 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.451 2.255 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -11.699 3.985 -6.382 1.00 0.00 H new ATOM 224 N ASN B 17 -8.673 2.857 -6.860 1.00 0.00 N ATOM 225 CA ASN B 17 -7.503 2.984 -7.715 1.00 0.00 C ATOM 226 C ASN B 17 -6.386 2.079 -7.218 1.00 0.00 C ATOM 227 O ASN B 17 -6.052 2.082 -6.038 1.00 0.00 O ATOM 228 CB ASN B 17 -7.034 4.443 -7.747 1.00 0.00 C ATOM 229 CG ASN B 17 -6.854 5.034 -6.362 1.00 0.00 C ATOM 230 OD1 ASN B 17 -5.781 4.949 -5.774 1.00 0.00 O ATOM 231 ND2 ASN B 17 -7.911 5.637 -5.832 1.00 0.00 N ATOM 0 H ASN B 17 -8.492 2.399 -5.967 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.770 2.679 -8.727 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -6.090 4.504 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -7.758 5.040 -8.300 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -7.849 6.051 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -8.786 5.686 -6.355 1.00 0.00 H new ATOM 238 N ASN B 18 -5.821 1.292 -8.119 1.00 0.00 N ATOM 239 CA ASN B 18 -4.788 0.329 -7.746 1.00 0.00 C ATOM 240 C ASN B 18 -3.397 0.941 -7.815 1.00 0.00 C ATOM 241 O ASN B 18 -2.512 0.566 -7.053 1.00 0.00 O ATOM 242 CB ASN B 18 -4.850 -0.907 -8.646 1.00 0.00 C ATOM 243 CG ASN B 18 -5.990 -1.839 -8.285 1.00 0.00 C ATOM 244 OD1 ASN B 18 -5.819 -2.760 -7.486 1.00 0.00 O ATOM 245 ND2 ASN B 18 -7.155 -1.610 -8.862 1.00 0.00 N ATOM 0 H ASN B 18 -6.056 1.298 -9.111 1.00 0.00 H new ATOM 0 HA ASN B 18 -4.981 0.034 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -4.960 -0.591 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -3.907 -1.449 -8.576 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -7.955 -2.207 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -7.255 -0.836 -9.519 1.00 0.00 H new ATOM 252 N GLY B 19 -3.214 1.889 -8.718 1.00 0.00 N ATOM 253 CA GLY B 19 -1.903 2.462 -8.932 1.00 0.00 C ATOM 254 C GLY B 19 -1.543 3.517 -7.918 1.00 0.00 C ATOM 255 O GLY B 19 -0.463 3.474 -7.340 1.00 0.00 O ATOM 0 H GLY B 19 -3.952 2.273 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.157 1.668 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.863 2.898 -9.930 1.00 0.00 H new ATOM 259 N ALA B 20 -2.439 4.468 -7.705 1.00 0.00 N ATOM 260 CA ALA B 20 -2.222 5.506 -6.703 1.00 0.00 C ATOM 261 C ALA B 20 -2.104 4.870 -5.327 1.00 0.00 C ATOM 262 O ALA B 20 -1.326 5.322 -4.482 1.00 0.00 O ATOM 263 CB ALA B 20 -3.346 6.530 -6.733 1.00 0.00 C ATOM 0 H ALA B 20 -3.322 4.545 -8.210 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.293 6.029 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.163 7.294 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.388 6.996 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.295 6.035 -6.526 1.00 0.00 H new ATOM 269 N CYS B 21 -2.883 3.816 -5.118 1.00 0.00 N ATOM 270 CA CYS B 21 -2.762 2.989 -3.929 1.00 0.00 C ATOM 271 C CYS B 21 -1.376 2.357 -3.864 1.00 0.00 C ATOM 272 O CYS B 21 -0.703 2.429 -2.835 1.00 0.00 O ATOM 273 CB CYS B 21 -3.841 1.900 -3.933 1.00 0.00 C ATOM 274 SG CYS B 21 -3.638 0.627 -2.646 1.00 0.00 S ATOM 0 H CYS B 21 -3.611 3.514 -5.765 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.900 3.618 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.816 2.372 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.845 1.414 -4.909 1.00 0.00 H new ATOM 279 N ARG B 22 -0.934 1.773 -4.981 1.00 0.00 N ATOM 280 CA ARG B 22 0.365 1.118 -5.025 1.00 0.00 C ATOM 281 C ARG B 22 1.460 2.128 -4.722 1.00 0.00 C ATOM 282 O ARG B 22 2.286 1.922 -3.838 1.00 0.00 O ATOM 283 CB ARG B 22 0.601 0.487 -6.404 1.00 0.00 C ATOM 284 CG ARG B 22 1.937 -0.230 -6.531 1.00 0.00 C ATOM 285 CD ARG B 22 2.161 -0.761 -7.941 1.00 0.00 C ATOM 286 NE ARG B 22 2.260 0.319 -8.929 1.00 0.00 N ATOM 287 CZ ARG B 22 2.545 0.128 -10.218 1.00 0.00 C ATOM 288 NH1 ARG B 22 2.734 -1.098 -10.682 1.00 0.00 N ATOM 289 NH2 ARG B 22 2.642 1.166 -11.041 1.00 0.00 N ATOM 0 H ARG B 22 -1.455 1.743 -5.857 1.00 0.00 H new ATOM 0 HA ARG B 22 0.386 0.328 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.202 -0.221 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.544 1.266 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.743 0.454 -6.268 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.975 -1.056 -5.821 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.074 -1.356 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.341 -1.425 -8.212 1.00 0.00 H new ATOM 0 HE ARG B 22 2.101 1.275 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.662 -1.898 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.952 -1.242 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.498 2.112 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.860 1.017 -12.026 1.00 0.00 H new ATOM 303 N ASN B 23 1.410 3.233 -5.448 1.00 0.00 N ATOM 304 CA ASN B 23 2.401 4.297 -5.366 1.00 0.00 C ATOM 305 C ASN B 23 2.572 4.815 -3.944 1.00 0.00 C ATOM 306 O ASN B 23 3.694 4.950 -3.451 1.00 0.00 O ATOM 307 CB ASN B 23 1.961 5.443 -6.275 1.00 0.00 C ATOM 308 CG ASN B 23 2.919 6.615 -6.276 1.00 0.00 C ATOM 309 OD1 ASN B 23 4.125 6.458 -6.091 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.382 7.802 -6.493 1.00 0.00 N ATOM 0 H ASN B 23 0.668 3.420 -6.122 1.00 0.00 H new ATOM 0 HA ASN B 23 3.362 3.893 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.856 5.069 -7.293 1.00 0.00 H new ATOM 0 HB3 ASN B 23 0.977 5.789 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.973 8.633 -6.512 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.377 7.887 -6.642 1.00 0.00 H new ATOM 317 N GLN B 24 1.458 5.109 -3.294 1.00 0.00 N ATOM 318 CA GLN B 24 1.491 5.651 -1.941 1.00 0.00 C ATOM 319 C GLN B 24 2.170 4.673 -0.995 1.00 0.00 C ATOM 320 O GLN B 24 3.014 5.061 -0.184 1.00 0.00 O ATOM 321 CB GLN B 24 0.085 5.962 -1.444 1.00 0.00 C ATOM 322 CG GLN B 24 0.076 6.930 -0.275 1.00 0.00 C ATOM 323 CD GLN B 24 -1.317 7.339 0.139 1.00 0.00 C ATOM 324 OE1 GLN B 24 -1.869 8.314 -0.373 1.00 0.00 O ATOM 325 NE2 GLN B 24 -1.885 6.620 1.089 1.00 0.00 N ATOM 0 H GLN B 24 0.521 4.983 -3.678 1.00 0.00 H new ATOM 0 HA GLN B 24 2.062 6.579 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.500 6.382 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.404 5.034 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.582 6.471 0.574 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.646 7.820 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.393 5.820 1.486 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.816 6.865 1.426 1.00 0.00 H new ATOM 334 N CYS B 25 1.799 3.407 -1.116 1.00 0.00 N ATOM 335 CA CYS B 25 2.435 2.343 -0.347 1.00 0.00 C ATOM 336 C CYS B 25 3.949 2.330 -0.582 1.00 0.00 C ATOM 337 O CYS B 25 4.715 2.192 0.367 1.00 0.00 O ATOM 338 CB CYS B 25 1.838 0.976 -0.709 1.00 0.00 C ATOM 339 SG CYS B 25 0.085 0.765 -0.257 1.00 0.00 S ATOM 0 H CYS B 25 1.058 3.089 -1.741 1.00 0.00 H new ATOM 0 HA CYS B 25 2.247 2.538 0.709 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.943 0.822 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.422 0.198 -0.217 1.00 0.00 H new ATOM 344 N ILE B 26 4.373 2.496 -1.841 1.00 0.00 N ATOM 345 CA ILE B 26 5.797 2.485 -2.196 1.00 0.00 C ATOM 346 C ILE B 26 6.571 3.505 -1.376 1.00 0.00 C ATOM 347 O ILE B 26 7.535 3.180 -0.678 1.00 0.00 O ATOM 348 CB ILE B 26 6.038 2.842 -3.684 1.00 0.00 C ATOM 349 CG1 ILE B 26 5.107 2.070 -4.617 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.487 2.583 -4.060 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.147 0.577 -4.432 1.00 0.00 C ATOM 0 H ILE B 26 3.747 2.640 -2.633 1.00 0.00 H new ATOM 0 HA ILE B 26 6.139 1.469 -1.996 1.00 0.00 H new ATOM 0 HB ILE B 26 5.817 3.903 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE B 26 4.085 2.417 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.369 2.304 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.642 2.838 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.139 3.195 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.721 1.530 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.458 0.105 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.158 0.214 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.854 0.329 -3.412 1.00 0.00 H new ATOM 363 N ARG B 27 6.126 4.741 -1.476 1.00 0.00 N ATOM 364 CA ARG B 27 6.838 5.868 -0.894 1.00 0.00 C ATOM 365 C ARG B 27 6.578 5.991 0.597 1.00 0.00 C ATOM 366 O ARG B 27 7.488 5.843 1.413 1.00 0.00 O ATOM 367 CB ARG B 27 6.428 7.162 -1.588 1.00 0.00 C ATOM 368 CG ARG B 27 6.600 7.110 -3.086 1.00 0.00 C ATOM 369 CD ARG B 27 8.049 6.891 -3.486 1.00 0.00 C ATOM 370 NE ARG B 27 8.202 6.817 -4.934 1.00 0.00 N ATOM 371 CZ ARG B 27 9.345 7.036 -5.582 1.00 0.00 C ATOM 372 NH1 ARG B 27 10.443 7.365 -4.908 1.00 0.00 N ATOM 373 NH2 ARG B 27 9.385 6.938 -6.904 1.00 0.00 N ATOM 0 H ARG B 27 5.265 4.995 -1.960 1.00 0.00 H new ATOM 0 HA ARG B 27 7.904 5.690 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.385 7.378 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG B 27 7.020 7.985 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG B 27 5.986 6.307 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG B 27 6.240 8.040 -3.525 1.00 0.00 H new ATOM 0 HD2 ARG B 27 8.661 7.704 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG B 27 8.417 5.970 -3.033 1.00 0.00 H new ATOM 0 HE ARG B 27 7.379 6.582 -5.488 1.00 0.00 H new ATOM 0 HH11 ARG B 27 10.411 7.450 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG B 27 11.317 7.532 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG B 27 8.541 6.695 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG B 27 10.260 7.105 -7.402 1.00 0.00 H new ATOM 387 N LEU B 28 5.326 6.244 0.945 1.00 0.00 N ATOM 388 CA LEU B 28 4.971 6.593 2.315 1.00 0.00 C ATOM 389 C LEU B 28 5.058 5.403 3.267 1.00 0.00 C ATOM 390 O LEU B 28 5.435 5.564 4.426 1.00 0.00 O ATOM 391 CB LEU B 28 3.567 7.203 2.371 1.00 0.00 C ATOM 392 CG LEU B 28 3.400 8.536 1.635 1.00 0.00 C ATOM 393 CD1 LEU B 28 1.977 9.050 1.779 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.387 9.566 2.161 1.00 0.00 C ATOM 0 H LEU B 28 4.537 6.215 0.299 1.00 0.00 H new ATOM 0 HA LEU B 28 5.702 7.330 2.647 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.861 6.486 1.953 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.294 7.348 3.416 1.00 0.00 H new ATOM 0 HG LEU B 28 3.604 8.369 0.577 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.877 9.998 1.250 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.283 8.323 1.356 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.749 9.198 2.834 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.252 10.506 1.625 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.213 9.727 3.225 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.404 9.205 2.010 1.00 0.00 H new ATOM 406 N GLU B 29 4.711 4.214 2.795 1.00 0.00 N ATOM 407 CA GLU B 29 4.698 3.048 3.672 1.00 0.00 C ATOM 408 C GLU B 29 5.837 2.090 3.360 1.00 0.00 C ATOM 409 O GLU B 29 5.959 1.035 3.976 1.00 0.00 O ATOM 410 CB GLU B 29 3.342 2.341 3.606 1.00 0.00 C ATOM 411 CG GLU B 29 2.209 3.247 4.059 1.00 0.00 C ATOM 412 CD GLU B 29 0.907 2.522 4.324 1.00 0.00 C ATOM 413 OE1 GLU B 29 0.913 1.537 5.092 1.00 0.00 O ATOM 414 OE2 GLU B 29 -0.138 2.962 3.804 1.00 0.00 O ATOM 0 H GLU B 29 4.439 4.031 1.829 1.00 0.00 H new ATOM 0 HA GLU B 29 4.852 3.400 4.692 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.155 2.008 2.585 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.366 1.449 4.232 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.515 3.767 4.967 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.040 4.008 3.297 1.00 0.00 H new ATOM 421 N LYS B 30 6.678 2.491 2.416 1.00 0.00 N ATOM 422 CA LYS B 30 7.880 1.740 2.047 1.00 0.00 C ATOM 423 C LYS B 30 7.550 0.323 1.580 1.00 0.00 C ATOM 424 O LYS B 30 8.314 -0.617 1.813 1.00 0.00 O ATOM 425 CB LYS B 30 8.865 1.691 3.215 1.00 0.00 C ATOM 426 CG LYS B 30 9.274 3.065 3.717 1.00 0.00 C ATOM 427 CD LYS B 30 10.367 2.973 4.767 1.00 0.00 C ATOM 428 CE LYS B 30 11.679 2.485 4.169 1.00 0.00 C ATOM 429 NZ LYS B 30 12.144 3.360 3.059 1.00 0.00 N ATOM 0 H LYS B 30 6.549 3.349 1.880 1.00 0.00 H new ATOM 0 HA LYS B 30 8.342 2.266 1.211 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.416 1.131 4.036 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.756 1.145 2.906 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.623 3.670 2.880 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.406 3.573 4.138 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.516 3.951 5.224 1.00 0.00 H new ATOM 0 HD3 LYS B 30 10.054 2.295 5.561 1.00 0.00 H new ATOM 0 HE2 LYS B 30 12.442 2.450 4.947 1.00 0.00 H new ATOM 0 HE3 LYS B 30 11.553 1.467 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 13.173 3.494 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 11.915 2.915 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 11.670 4.283 3.123 1.00 0.00 H new ATOM 443 N ALA B 31 6.417 0.178 0.919 1.00 0.00 N ATOM 444 CA ALA B 31 5.996 -1.107 0.393 1.00 0.00 C ATOM 445 C ALA B 31 6.587 -1.331 -0.992 1.00 0.00 C ATOM 446 O ALA B 31 6.918 -0.378 -1.697 1.00 0.00 O ATOM 447 CB ALA B 31 4.479 -1.178 0.341 1.00 0.00 C ATOM 0 H ALA B 31 5.767 0.941 0.732 1.00 0.00 H new ATOM 0 HA ALA B 31 6.360 -1.894 1.054 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.173 -2.146 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.074 -1.053 1.345 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.100 -0.386 -0.304 1.00 0.00 H new ATOM 453 N ARG B 32 6.737 -2.591 -1.369 1.00 0.00 N ATOM 454 CA ARG B 32 7.292 -2.942 -2.663 1.00 0.00 C ATOM 455 C ARG B 32 6.200 -3.065 -3.718 1.00 0.00 C ATOM 456 O ARG B 32 6.459 -2.964 -4.915 1.00 0.00 O ATOM 457 CB ARG B 32 8.045 -4.255 -2.542 1.00 0.00 C ATOM 458 CG ARG B 32 9.235 -4.177 -1.603 1.00 0.00 C ATOM 459 CD ARG B 32 10.293 -3.209 -2.116 1.00 0.00 C ATOM 460 NE ARG B 32 10.740 -3.551 -3.466 1.00 0.00 N ATOM 461 CZ ARG B 32 11.109 -2.657 -4.383 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.080 -1.357 -4.105 1.00 0.00 N ATOM 463 NH2 ARG B 32 11.496 -3.066 -5.586 1.00 0.00 N ATOM 0 H ARG B 32 6.480 -3.391 -0.791 1.00 0.00 H new ATOM 0 HA ARG B 32 7.972 -2.150 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.362 -5.027 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.389 -4.561 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.900 -3.860 -0.616 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.674 -5.168 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.890 -2.196 -2.113 1.00 0.00 H new ATOM 0 HD3 ARG B 32 11.147 -3.214 -1.439 1.00 0.00 H new ATOM 0 HE ARG B 32 10.771 -4.538 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG B 32 10.774 -1.039 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG B 32 11.364 -0.678 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG B 32 11.510 -4.062 -5.806 1.00 0.00 H new ATOM 0 HH22 ARG B 32 11.779 -2.384 -6.290 1.00 0.00 H new ATOM 477 N HIS B 33 4.982 -3.300 -3.261 1.00 0.00 N ATOM 478 CA HIS B 33 3.837 -3.427 -4.150 1.00 0.00 C ATOM 479 C HIS B 33 2.561 -3.033 -3.404 1.00 0.00 C ATOM 480 O HIS B 33 2.578 -2.895 -2.184 1.00 0.00 O ATOM 481 CB HIS B 33 3.752 -4.868 -4.691 1.00 0.00 C ATOM 482 CG HIS B 33 2.645 -5.097 -5.679 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.627 -4.528 -6.934 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.499 -5.813 -5.579 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.518 -4.876 -7.558 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.818 -5.658 -6.760 1.00 0.00 N ATOM 0 H HIS B 33 4.758 -3.408 -2.272 1.00 0.00 H new ATOM 0 HA HIS B 33 3.954 -2.756 -5.001 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.701 -5.122 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.620 -5.551 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS B 33 1.181 -6.397 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.232 -4.572 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS B 33 -0.083 -6.079 -6.984 1.00 0.00 H new ATOM 495 N GLY B 34 1.474 -2.823 -4.134 1.00 0.00 N ATOM 496 CA GLY B 34 0.198 -2.520 -3.511 1.00 0.00 C ATOM 497 C GLY B 34 -0.959 -2.842 -4.432 1.00 0.00 C ATOM 498 O GLY B 34 -0.765 -2.999 -5.640 1.00 0.00 O ATOM 0 H GLY B 34 1.452 -2.857 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY B 34 0.099 -3.090 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.166 -1.465 -3.240 1.00 0.00 H new ATOM 502 N SER B 35 -2.152 -2.967 -3.871 1.00 0.00 N ATOM 503 CA SER B 35 -3.338 -3.288 -4.655 1.00 0.00 C ATOM 504 C SER B 35 -4.591 -2.735 -3.986 1.00 0.00 C ATOM 505 O SER B 35 -4.687 -2.706 -2.759 1.00 0.00 O ATOM 506 CB SER B 35 -3.472 -4.805 -4.818 1.00 0.00 C ATOM 507 OG SER B 35 -2.294 -5.364 -5.376 1.00 0.00 O ATOM 0 H SER B 35 -2.326 -2.851 -2.873 1.00 0.00 H new ATOM 0 HA SER B 35 -3.230 -2.828 -5.637 1.00 0.00 H new ATOM 0 HB2 SER B 35 -3.671 -5.262 -3.849 1.00 0.00 H new ATOM 0 HB3 SER B 35 -4.324 -5.031 -5.458 1.00 0.00 H new ATOM 0 HG SER B 35 -1.773 -5.801 -4.670 1.00 0.00 H new ATOM 513 N CYS B 36 -5.542 -2.299 -4.794 1.00 0.00 N ATOM 514 CA CYS B 36 -6.821 -1.836 -4.287 1.00 0.00 C ATOM 515 C CYS B 36 -7.778 -3.017 -4.231 1.00 0.00 C ATOM 516 O CYS B 36 -8.619 -3.211 -5.114 1.00 0.00 O ATOM 517 CB CYS B 36 -7.374 -0.720 -5.175 1.00 0.00 C ATOM 518 SG CYS B 36 -8.852 0.114 -4.512 1.00 0.00 S ATOM 0 H CYS B 36 -5.451 -2.256 -5.809 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.698 -1.425 -3.285 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.592 0.024 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.616 -1.137 -6.152 1.00 0.00 H new ATOM 523 N ASN B 37 -7.624 -3.807 -3.182 1.00 0.00 N ATOM 524 CA ASN B 37 -8.317 -5.080 -3.045 1.00 0.00 C ATOM 525 C ASN B 37 -9.802 -4.876 -2.783 1.00 0.00 C ATOM 526 O ASN B 37 -10.249 -3.765 -2.498 1.00 0.00 O ATOM 527 CB ASN B 37 -7.693 -5.876 -1.891 1.00 0.00 C ATOM 528 CG ASN B 37 -8.115 -5.374 -0.525 1.00 0.00 C ATOM 529 OD1 ASN B 37 -8.464 -4.208 -0.342 1.00 0.00 O ATOM 530 ND2 ASN B 37 -8.059 -6.246 0.456 1.00 0.00 N ATOM 0 H ASN B 37 -7.012 -3.584 -2.397 1.00 0.00 H new ATOM 0 HA ASN B 37 -8.212 -5.631 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -7.973 -6.925 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.607 -5.827 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.309 -5.964 1.404 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.765 -7.205 0.270 1.00 0.00 H new ATOM 537 N TYR B 38 -10.571 -5.945 -2.889 1.00 0.00 N ATOM 538 CA TYR B 38 -11.969 -5.894 -2.517 1.00 0.00 C ATOM 539 C TYR B 38 -12.209 -6.711 -1.261 1.00 0.00 C ATOM 540 O TYR B 38 -12.684 -7.848 -1.322 1.00 0.00 O ATOM 541 CB TYR B 38 -12.879 -6.394 -3.640 1.00 0.00 C ATOM 542 CG TYR B 38 -14.349 -6.282 -3.294 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.920 -5.045 -3.044 1.00 0.00 C ATOM 544 CD2 TYR B 38 -15.158 -7.408 -3.207 1.00 0.00 C ATOM 545 CE1 TYR B 38 -16.256 -4.926 -2.720 1.00 0.00 C ATOM 546 CE2 TYR B 38 -16.499 -7.299 -2.884 1.00 0.00 C ATOM 547 CZ TYR B 38 -17.041 -6.054 -2.641 1.00 0.00 C ATOM 548 OH TYR B 38 -18.377 -5.936 -2.322 1.00 0.00 O ATOM 0 H TYR B 38 -10.252 -6.853 -3.228 1.00 0.00 H new ATOM 0 HA TYR B 38 -12.216 -4.849 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -12.679 -5.822 -4.546 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -12.640 -7.434 -3.860 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -14.308 -4.157 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -14.734 -8.383 -3.394 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.684 -3.953 -2.529 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -17.117 -8.183 -2.823 1.00 0.00 H new ATOM 0 HH TYR B 38 -18.603 -6.577 -1.616 1.00 0.00 H new ATOM 558 N VAL B 39 -11.843 -6.150 -0.126 1.00 0.00 N ATOM 559 CA VAL B 39 -12.226 -6.728 1.145 1.00 0.00 C ATOM 560 C VAL B 39 -13.663 -6.315 1.459 1.00 0.00 C ATOM 561 O VAL B 39 -13.932 -5.174 1.845 1.00 0.00 O ATOM 562 CB VAL B 39 -11.255 -6.326 2.284 1.00 0.00 C ATOM 563 CG1 VAL B 39 -11.032 -4.822 2.325 1.00 0.00 C ATOM 564 CG2 VAL B 39 -11.758 -6.834 3.627 1.00 0.00 C ATOM 0 H VAL B 39 -11.284 -5.299 -0.058 1.00 0.00 H new ATOM 0 HA VAL B 39 -12.168 -7.814 1.072 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.293 -6.795 2.077 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -10.346 -4.578 3.136 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -10.606 -4.491 1.378 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.984 -4.317 2.491 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.061 -6.540 4.412 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.739 -6.406 3.834 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.836 -7.921 3.599 1.00 0.00 H new ATOM 574 N PHE B 40 -14.582 -7.253 1.235 1.00 0.00 N ATOM 575 CA PHE B 40 -16.019 -7.015 1.356 1.00 0.00 C ATOM 576 C PHE B 40 -16.340 -6.198 2.608 1.00 0.00 C ATOM 577 O PHE B 40 -15.793 -6.456 3.681 1.00 0.00 O ATOM 578 CB PHE B 40 -16.755 -8.363 1.384 1.00 0.00 C ATOM 579 CG PHE B 40 -18.254 -8.263 1.297 1.00 0.00 C ATOM 580 CD1 PHE B 40 -18.882 -8.186 0.065 1.00 0.00 C ATOM 581 CD2 PHE B 40 -19.033 -8.257 2.442 1.00 0.00 C ATOM 582 CE1 PHE B 40 -20.258 -8.097 -0.024 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.409 -8.171 2.360 1.00 0.00 C ATOM 584 CZ PHE B 40 -21.022 -8.092 1.124 1.00 0.00 C ATOM 0 H PHE B 40 -14.348 -8.208 0.962 1.00 0.00 H new ATOM 0 HA PHE B 40 -16.355 -6.437 0.495 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -16.397 -8.974 0.556 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -16.492 -8.886 2.303 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -18.289 -8.196 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -18.559 -8.320 3.410 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.734 -8.031 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -21.005 -8.165 3.261 1.00 0.00 H new ATOM 0 HZ PHE B 40 -22.098 -8.026 1.057 1.00 0.00 H new ATOM 594 N PRO B 41 -17.243 -5.210 2.494 1.00 0.00 N ATOM 595 CA PRO B 41 -17.993 -4.921 1.274 1.00 0.00 C ATOM 596 C PRO B 41 -17.441 -3.754 0.443 1.00 0.00 C ATOM 597 O PRO B 41 -18.183 -3.139 -0.322 1.00 0.00 O ATOM 598 CB PRO B 41 -19.345 -4.536 1.861 1.00 0.00 C ATOM 599 CG PRO B 41 -19.012 -3.813 3.131 1.00 0.00 C ATOM 600 CD PRO B 41 -17.650 -4.303 3.577 1.00 0.00 C ATOM 0 HA PRO B 41 -17.978 -5.758 0.576 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -19.907 -3.899 1.178 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -19.959 -5.416 2.055 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -19.000 -2.735 2.969 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -19.763 -4.012 3.896 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -16.946 -3.479 3.697 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -17.703 -4.820 4.535 1.00 0.00 H new ATOM 608 N ALA B 42 -16.155 -3.448 0.572 1.00 0.00 N ATOM 609 CA ALA B 42 -15.603 -2.278 -0.108 1.00 0.00 C ATOM 610 C ALA B 42 -14.173 -2.506 -0.578 1.00 0.00 C ATOM 611 O ALA B 42 -13.500 -3.439 -0.145 1.00 0.00 O ATOM 612 CB ALA B 42 -15.663 -1.070 0.813 1.00 0.00 C ATOM 0 H ALA B 42 -15.486 -3.980 1.128 1.00 0.00 H new ATOM 0 HA ALA B 42 -16.210 -2.097 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -15.250 -0.201 0.301 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.699 -0.872 1.086 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -15.082 -1.270 1.714 1.00 0.00 H new ATOM 618 N HIS B 43 -13.722 -1.651 -1.484 1.00 0.00 N ATOM 619 CA HIS B 43 -12.346 -1.693 -1.950 1.00 0.00 C ATOM 620 C HIS B 43 -11.452 -0.883 -1.027 1.00 0.00 C ATOM 621 O HIS B 43 -11.734 0.281 -0.734 1.00 0.00 O ATOM 622 CB HIS B 43 -12.220 -1.159 -3.382 1.00 0.00 C ATOM 623 CG HIS B 43 -12.647 -2.133 -4.435 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.764 -2.962 -5.095 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.868 -2.402 -4.952 1.00 0.00 C ATOM 626 CE1 HIS B 43 -12.423 -3.698 -5.970 1.00 0.00 C ATOM 627 NE2 HIS B 43 -13.702 -3.378 -5.904 1.00 0.00 N ATOM 0 H HIS B 43 -14.290 -0.919 -1.911 1.00 0.00 H new ATOM 0 HA HIS B 43 -12.030 -2.736 -1.944 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.819 -0.253 -3.475 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -11.183 -0.875 -3.563 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.758 -3.000 -4.932 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.800 -1.936 -4.669 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.990 -4.437 -6.628 1.00 0.00 H new ATOM 636 N LYS B 44 -10.381 -1.503 -0.573 1.00 0.00 N ATOM 637 CA LYS B 44 -9.416 -0.840 0.282 1.00 0.00 C ATOM 638 C LYS B 44 -8.065 -0.792 -0.396 1.00 0.00 C ATOM 639 O LYS B 44 -7.845 -1.433 -1.420 1.00 0.00 O ATOM 640 CB LYS B 44 -9.282 -1.563 1.624 1.00 0.00 C ATOM 641 CG LYS B 44 -10.429 -1.309 2.582 1.00 0.00 C ATOM 642 CD LYS B 44 -10.532 0.161 2.955 1.00 0.00 C ATOM 643 CE LYS B 44 -11.408 0.364 4.180 1.00 0.00 C ATOM 644 NZ LYS B 44 -12.740 -0.278 4.032 1.00 0.00 N ATOM 0 H LYS B 44 -10.156 -2.475 -0.785 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.772 0.174 0.464 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.206 -2.635 1.441 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.351 -1.254 2.099 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.364 -1.636 2.126 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -10.289 -1.905 3.484 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -9.536 0.559 3.149 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -10.942 0.723 2.116 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -10.905 -0.046 5.056 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -11.539 1.431 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -13.365 0.039 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -13.154 -0.011 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -12.634 -1.312 4.076 1.00 0.00 H new ATOM 658 N CYS B 45 -7.169 -0.020 0.177 1.00 0.00 N ATOM 659 CA CYS B 45 -5.811 0.047 -0.316 1.00 0.00 C ATOM 660 C CYS B 45 -4.949 -0.887 0.514 1.00 0.00 C ATOM 661 O CYS B 45 -4.817 -0.711 1.726 1.00 0.00 O ATOM 662 CB CYS B 45 -5.280 1.479 -0.247 1.00 0.00 C ATOM 663 SG CYS B 45 -3.599 1.682 -0.913 1.00 0.00 S ATOM 0 H CYS B 45 -7.356 0.572 0.987 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.784 -0.261 -1.361 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -5.958 2.133 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.290 1.809 0.792 1.00 0.00 H new ATOM 668 N ILE B 46 -4.408 -1.905 -0.123 1.00 0.00 N ATOM 669 CA ILE B 46 -3.621 -2.895 0.578 1.00 0.00 C ATOM 670 C ILE B 46 -2.175 -2.873 0.090 1.00 0.00 C ATOM 671 O ILE B 46 -1.899 -3.132 -1.085 1.00 0.00 O ATOM 672 CB ILE B 46 -4.224 -4.310 0.415 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.622 -4.380 1.021 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.327 -5.351 1.048 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.688 -4.068 2.492 1.00 0.00 C ATOM 0 H ILE B 46 -4.500 -2.067 -1.126 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.636 -2.644 1.638 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.301 -4.520 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.270 -3.685 0.487 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.024 -5.380 0.857 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.770 -6.339 0.922 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.349 -5.328 0.568 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.215 -5.137 2.111 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.720 -4.143 2.834 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -5.071 -4.778 3.043 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.320 -3.057 2.666 1.00 0.00 H new ATOM 687 N CYS B 47 -1.263 -2.548 0.995 1.00 0.00 N ATOM 688 CA CYS B 47 0.155 -2.494 0.679 1.00 0.00 C ATOM 689 C CYS B 47 0.768 -3.883 0.809 1.00 0.00 C ATOM 690 O CYS B 47 0.359 -4.672 1.656 1.00 0.00 O ATOM 691 CB CYS B 47 0.869 -1.524 1.623 1.00 0.00 C ATOM 692 SG CYS B 47 0.141 0.150 1.681 1.00 0.00 S ATOM 0 H CYS B 47 -1.484 -2.316 1.963 1.00 0.00 H new ATOM 0 HA CYS B 47 0.274 -2.143 -0.346 1.00 0.00 H new ATOM 0 HB2 CYS B 47 0.862 -1.944 2.629 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.912 -1.442 1.319 1.00 0.00 H new ATOM 697 N TYR B 48 1.734 -4.188 -0.036 1.00 0.00 N ATOM 698 CA TYR B 48 2.388 -5.486 -0.009 1.00 0.00 C ATOM 699 C TYR B 48 3.816 -5.359 0.491 1.00 0.00 C ATOM 700 O TYR B 48 4.627 -4.621 -0.082 1.00 0.00 O ATOM 701 CB TYR B 48 2.391 -6.116 -1.399 1.00 0.00 C ATOM 702 CG TYR B 48 1.038 -6.605 -1.868 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.069 -5.768 -1.871 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.876 -7.905 -2.318 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.297 -6.210 -2.307 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.349 -8.357 -2.760 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.434 -7.506 -2.755 1.00 0.00 C ATOM 708 OH TYR B 48 -2.659 -7.949 -3.194 1.00 0.00 O ATOM 0 H TYR B 48 2.086 -3.553 -0.753 1.00 0.00 H new ATOM 0 HA TYR B 48 1.828 -6.126 0.673 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.767 -5.385 -2.115 1.00 0.00 H new ATOM 0 HB3 TYR B 48 3.088 -6.954 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR B 48 0.035 -4.750 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.723 -8.575 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.148 -5.545 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.458 -9.373 -3.109 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.586 -8.884 -3.477 1.00 0.00 H new ATOM 718 N PHE B 49 4.117 -6.082 1.553 1.00 0.00 N ATOM 719 CA PHE B 49 5.447 -6.076 2.130 1.00 0.00 C ATOM 720 C PHE B 49 6.063 -7.463 2.024 1.00 0.00 C ATOM 721 O PHE B 49 5.373 -8.469 2.208 1.00 0.00 O ATOM 722 CB PHE B 49 5.385 -5.631 3.594 1.00 0.00 C ATOM 723 CG PHE B 49 4.897 -4.220 3.765 1.00 0.00 C ATOM 724 CD1 PHE B 49 5.790 -3.163 3.744 1.00 0.00 C ATOM 725 CD2 PHE B 49 3.548 -3.948 3.941 1.00 0.00 C ATOM 726 CE1 PHE B 49 5.349 -1.864 3.895 1.00 0.00 C ATOM 727 CE2 PHE B 49 3.103 -2.653 4.093 1.00 0.00 C ATOM 728 CZ PHE B 49 4.002 -1.607 4.071 1.00 0.00 C ATOM 0 H PHE B 49 3.452 -6.686 2.037 1.00 0.00 H new ATOM 0 HA PHE B 49 6.070 -5.371 1.580 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.728 -6.305 4.144 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.377 -5.721 4.037 1.00 0.00 H new ATOM 0 HD1 PHE B 49 6.844 -3.357 3.608 1.00 0.00 H new ATOM 0 HD2 PHE B 49 2.838 -4.762 3.959 1.00 0.00 H new ATOM 0 HE1 PHE B 49 6.056 -1.048 3.876 1.00 0.00 H new ATOM 0 HE2 PHE B 49 2.050 -2.457 4.229 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.655 -0.591 4.191 1.00 0.00 H new ATOM 738 N PRO B 50 7.365 -7.531 1.690 1.00 0.00 N ATOM 739 CA PRO B 50 8.092 -8.799 1.582 1.00 0.00 C ATOM 740 C PRO B 50 7.950 -9.634 2.839 1.00 0.00 C ATOM 741 O PRO B 50 8.398 -9.242 3.917 1.00 0.00 O ATOM 742 CB PRO B 50 9.542 -8.371 1.382 1.00 0.00 C ATOM 743 CG PRO B 50 9.451 -7.014 0.782 1.00 0.00 C ATOM 744 CD PRO B 50 8.229 -6.377 1.387 1.00 0.00 C ATOM 0 HA PRO B 50 7.713 -9.423 0.772 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.084 -8.351 2.328 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.072 -9.061 0.725 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.345 -6.430 1.000 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.365 -7.072 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.473 -5.810 2.285 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.750 -5.686 0.694 1.00 0.00 H new ATOM 752 N CYS B 51 7.317 -10.779 2.689 1.00 0.00 N ATOM 753 CA CYS B 51 6.998 -11.627 3.821 1.00 0.00 C ATOM 754 C CYS B 51 8.222 -12.428 4.241 1.00 0.00 C ATOM 755 O CYS B 51 8.743 -12.183 5.352 1.00 0.00 O ATOM 756 CB CYS B 51 5.838 -12.557 3.471 1.00 0.00 C ATOM 757 SG CYS B 51 4.892 -13.139 4.914 1.00 0.00 S ATOM 758 OXT CYS B 51 8.688 -13.270 3.444 1.00 0.00 O ATOM 0 H CYS B 51 7.011 -11.147 1.788 1.00 0.00 H new ATOM 0 HA CYS B 51 6.696 -10.999 4.659 1.00 0.00 H new ATOM 0 HB2 CYS B 51 5.162 -12.038 2.792 1.00 0.00 H new ATOM 0 HB3 CYS B 51 6.228 -13.421 2.933 1.00 0.00 H new TER 763 CYS B 51