USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 608 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 81 MET CE :methyl 135:sc= -1.98 (180deg=-7.5!) USER MOD Set 1.2: A 85 MET CE :methyl -121:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 69 SER OG : rot -100:sc= 0.14 USER MOD Set 3.2: A 71 THR OG1 : rot -84:sc= 0.0621 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 GLN : amide:sc= -0.047 X(o=-0.047,f=0.31) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0182) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 16 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.7!) USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= -0.0175 (180deg=-0.843) USER MOD Single : A 18 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.94 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -169:sc= 0 (180deg=-0.0267) USER MOD Single : A 47 MET CE :methyl 163:sc= -1.62 (180deg=-2.03) USER MOD Single : A 50 GLN : amide:sc= -0.995 X(o=-0.99,f=-1.4!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.504! C(o=-1.8!,f=-0.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 80 MET CE :methyl -114:sc= -4.16! (180deg=-8.46!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 84.553 1.241 2.120 1.00 0.90 N ATOM 45 CA ILE A 4 83.793 1.374 3.397 1.00 0.89 C ATOM 46 C ILE A 4 82.401 0.751 3.253 1.00 0.82 C ATOM 47 O ILE A 4 82.164 -0.361 3.681 1.00 0.85 O ATOM 48 CB ILE A 4 83.690 2.882 3.681 1.00 0.85 C ATOM 49 CG1 ILE A 4 83.685 3.692 2.376 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.889 3.313 4.523 1.00 0.75 C ATOM 51 CD1 ILE A 4 83.007 5.042 2.618 1.00 1.74 C ATOM 0 HA ILE A 4 84.292 0.855 4.216 1.00 0.89 H new ATOM 0 HB ILE A 4 82.757 3.070 4.212 1.00 0.85 H new ATOM 0 HG12 ILE A 4 84.706 3.843 2.025 1.00 1.02 H new ATOM 0 HG13 ILE A 4 83.158 3.143 1.596 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.824 4.381 4.729 1.00 0.75 H new ATOM 0 HG22 ILE A 4 84.890 2.762 5.463 1.00 0.75 H new ATOM 0 HG23 ILE A 4 85.810 3.104 3.979 1.00 0.75 H new ATOM 0 HD11 ILE A 4 83.003 5.618 1.693 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.981 4.880 2.949 1.00 1.74 H new ATOM 0 HD13 ILE A 4 83.553 5.591 3.385 1.00 1.74 H new ATOM 63 N TYR A 5 81.481 1.455 2.657 1.00 0.78 N ATOM 64 CA TYR A 5 80.108 0.897 2.489 1.00 0.78 C ATOM 65 C TYR A 5 80.082 -0.089 1.321 1.00 0.92 C ATOM 66 O TYR A 5 79.421 -1.107 1.369 1.00 0.99 O ATOM 67 CB TYR A 5 79.223 2.107 2.194 1.00 0.78 C ATOM 68 CG TYR A 5 79.279 3.066 3.359 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.666 2.729 4.572 1.00 1.77 C ATOM 70 CD2 TYR A 5 79.946 4.289 3.227 1.00 1.31 C ATOM 71 CE1 TYR A 5 78.720 3.616 5.653 1.00 2.00 C ATOM 72 CE2 TYR A 5 79.999 5.178 4.308 1.00 1.36 C ATOM 73 CZ TYR A 5 79.386 4.841 5.521 1.00 1.35 C ATOM 74 OH TYR A 5 79.438 5.715 6.588 1.00 1.60 O ATOM 0 H TYR A 5 81.619 2.392 2.279 1.00 0.78 H new ATOM 0 HA TYR A 5 79.769 0.353 3.371 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.559 2.604 1.284 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.196 1.786 2.022 1.00 0.78 H new ATOM 0 HD1 TYR A 5 78.152 1.785 4.673 1.00 1.77 H new ATOM 0 HD2 TYR A 5 80.420 4.547 2.292 1.00 1.31 H new ATOM 0 HE1 TYR A 5 78.248 3.356 6.589 1.00 2.00 H new ATOM 0 HE2 TYR A 5 80.512 6.123 4.206 1.00 1.36 H new ATOM 0 HH TYR A 5 79.938 6.517 6.330 1.00 1.60 H new ATOM 84 N LYS A 6 80.799 0.203 0.270 1.00 1.02 N ATOM 85 CA LYS A 6 80.816 -0.723 -0.899 1.00 1.19 C ATOM 86 C LYS A 6 80.982 -2.167 -0.421 1.00 1.15 C ATOM 87 O LYS A 6 80.481 -3.093 -1.027 1.00 1.19 O ATOM 88 CB LYS A 6 82.022 -0.289 -1.732 1.00 1.38 C ATOM 89 CG LYS A 6 81.794 -0.670 -3.195 1.00 1.86 C ATOM 90 CD LYS A 6 82.973 -0.185 -4.041 1.00 1.94 C ATOM 91 CE LYS A 6 83.451 -1.319 -4.951 1.00 2.16 C ATOM 92 NZ LYS A 6 82.459 -1.364 -6.062 1.00 2.91 N ATOM 0 H LYS A 6 81.373 1.041 0.170 1.00 1.02 H new ATOM 0 HA LYS A 6 79.891 -0.682 -1.474 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.170 0.787 -1.644 1.00 1.38 H new ATOM 0 HB3 LYS A 6 82.927 -0.767 -1.357 1.00 1.38 H new ATOM 0 HG2 LYS A 6 81.687 -1.751 -3.287 1.00 1.86 H new ATOM 0 HG3 LYS A 6 80.867 -0.226 -3.557 1.00 1.86 H new ATOM 0 HD2 LYS A 6 82.674 0.675 -4.641 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.787 0.144 -3.395 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.456 -1.127 -5.327 1.00 2.16 H new ATOM 0 HE3 LYS A 6 83.487 -2.267 -4.415 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 82.103 -2.335 -6.170 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 81.666 -0.727 -5.846 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.915 -1.062 -6.947 1.00 2.91 H new ATOM 106 N ALA A 7 81.680 -2.365 0.664 1.00 1.13 N ATOM 107 CA ALA A 7 81.873 -3.749 1.181 1.00 1.14 C ATOM 108 C ALA A 7 80.533 -4.330 1.636 1.00 1.06 C ATOM 109 O ALA A 7 80.320 -5.526 1.604 1.00 1.10 O ATOM 110 CB ALA A 7 82.824 -3.600 2.369 1.00 1.20 C ATOM 0 H ALA A 7 82.124 -1.629 1.214 1.00 1.13 H new ATOM 0 HA ALA A 7 82.273 -4.423 0.423 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.016 -4.580 2.806 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.763 -3.163 2.030 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.371 -2.951 3.118 1.00 1.20 H new ATOM 116 N ALA A 8 79.626 -3.491 2.057 1.00 0.99 N ATOM 117 CA ALA A 8 78.299 -3.994 2.510 1.00 0.95 C ATOM 118 C ALA A 8 77.693 -4.911 1.445 1.00 0.95 C ATOM 119 O ALA A 8 77.226 -5.994 1.738 1.00 1.02 O ATOM 120 CB ALA A 8 77.441 -2.742 2.693 1.00 0.91 C ATOM 0 H ALA A 8 79.747 -2.479 2.107 1.00 0.99 H new ATOM 0 HA ALA A 8 78.368 -4.576 3.429 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.444 -3.030 3.027 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.900 -2.092 3.438 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.366 -2.210 1.744 1.00 0.91 H new ATOM 126 N VAL A 9 77.697 -4.487 0.211 1.00 0.97 N ATOM 127 CA VAL A 9 77.123 -5.337 -0.871 1.00 1.07 C ATOM 128 C VAL A 9 77.967 -6.601 -1.051 1.00 1.16 C ATOM 129 O VAL A 9 77.449 -7.691 -1.187 1.00 1.18 O ATOM 130 CB VAL A 9 77.177 -4.471 -2.131 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.549 -5.231 -3.301 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.399 -3.176 -1.891 1.00 1.49 C ATOM 0 H VAL A 9 78.073 -3.589 -0.095 1.00 0.97 H new ATOM 0 HA VAL A 9 76.107 -5.661 -0.646 1.00 1.07 H new ATOM 0 HB VAL A 9 78.215 -4.236 -2.366 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.588 -4.614 -4.199 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.101 -6.155 -3.472 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.511 -5.466 -3.067 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.436 -2.558 -2.788 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.361 -3.413 -1.657 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.844 -2.633 -1.057 1.00 1.49 H new ATOM 142 N GLU A 10 79.266 -6.464 -1.049 1.00 1.28 N ATOM 143 CA GLU A 10 80.140 -7.660 -1.218 1.00 1.44 C ATOM 144 C GLU A 10 79.669 -8.788 -0.296 1.00 1.41 C ATOM 145 O GLU A 10 79.794 -9.955 -0.612 1.00 1.54 O ATOM 146 CB GLU A 10 81.538 -7.189 -0.816 1.00 1.68 C ATOM 147 CG GLU A 10 81.911 -5.948 -1.629 1.00 2.16 C ATOM 148 CD GLU A 10 83.434 -5.835 -1.718 1.00 2.64 C ATOM 149 OE1 GLU A 10 84.056 -6.797 -2.138 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.953 -4.790 -1.365 1.00 3.13 O ATOM 0 H GLU A 10 79.758 -5.578 -0.938 1.00 1.28 H new ATOM 0 HA GLU A 10 80.119 -8.049 -2.236 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.564 -6.960 0.249 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.265 -7.983 -0.990 1.00 1.68 H new ATOM 0 HG2 GLU A 10 81.481 -6.013 -2.629 1.00 2.16 H new ATOM 0 HG3 GLU A 10 81.496 -5.055 -1.161 1.00 2.16 H new ATOM 157 N GLN A 11 79.125 -8.448 0.841 1.00 1.37 N ATOM 158 CA GLN A 11 78.642 -9.499 1.782 1.00 1.43 C ATOM 159 C GLN A 11 77.397 -10.184 1.212 1.00 1.24 C ATOM 160 O GLN A 11 77.122 -11.331 1.499 1.00 1.31 O ATOM 161 CB GLN A 11 78.301 -8.750 3.071 1.00 1.58 C ATOM 162 CG GLN A 11 79.589 -8.443 3.839 1.00 1.88 C ATOM 163 CD GLN A 11 79.240 -7.934 5.239 1.00 2.09 C ATOM 164 OE1 GLN A 11 78.086 -7.707 5.545 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.194 -7.744 6.108 1.00 2.48 N ATOM 0 H GLN A 11 78.994 -7.488 1.159 1.00 1.37 H new ATOM 0 HA GLN A 11 79.385 -10.279 1.949 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.775 -7.824 2.838 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.632 -9.351 3.687 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.205 -9.339 3.910 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.174 -7.695 3.304 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.163 -7.934 5.852 1.00 2.48 H new ATOM 0 HE22 GLN A 11 79.971 -7.405 7.044 1.00 2.48 H new ATOM 174 N LEU A 12 76.645 -9.488 0.404 1.00 1.24 N ATOM 175 CA LEU A 12 75.420 -10.100 -0.187 1.00 1.13 C ATOM 176 C LEU A 12 75.800 -11.014 -1.356 1.00 1.02 C ATOM 177 O LEU A 12 76.687 -10.712 -2.129 1.00 1.28 O ATOM 178 CB LEU A 12 74.585 -8.917 -0.678 1.00 1.12 C ATOM 179 CG LEU A 12 73.954 -8.205 0.520 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.077 -7.052 0.027 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.094 -9.197 1.306 1.00 1.49 C ATOM 0 H LEU A 12 76.825 -8.523 0.127 1.00 1.24 H new ATOM 0 HA LEU A 12 74.874 -10.713 0.531 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.212 -8.223 -1.238 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.808 -9.264 -1.359 1.00 1.12 H new ATOM 0 HG LEU A 12 74.741 -7.813 1.164 1.00 1.28 H new ATOM 0 HD11 LEU A 12 72.628 -6.545 0.881 1.00 2.02 H new ATOM 0 HD12 LEU A 12 73.688 -6.345 -0.534 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.290 -7.443 -0.618 1.00 2.02 H new ATOM 0 HD21 LEU A 12 72.644 -8.691 2.160 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.308 -9.588 0.660 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.717 -10.019 1.658 1.00 1.49 H new ATOM 193 N THR A 13 75.135 -12.128 -1.490 1.00 0.93 N ATOM 194 CA THR A 13 75.461 -13.061 -2.608 1.00 0.93 C ATOM 195 C THR A 13 74.615 -12.730 -3.840 1.00 0.88 C ATOM 196 O THR A 13 73.571 -12.116 -3.742 1.00 0.86 O ATOM 197 CB THR A 13 75.115 -14.451 -2.075 1.00 1.03 C ATOM 198 OG1 THR A 13 73.940 -14.372 -1.278 1.00 1.13 O ATOM 199 CG2 THR A 13 76.274 -14.977 -1.228 1.00 1.20 C ATOM 0 H THR A 13 74.381 -12.433 -0.875 1.00 0.93 H new ATOM 0 HA THR A 13 76.505 -12.990 -2.915 1.00 0.93 H new ATOM 0 HB THR A 13 74.942 -15.129 -2.911 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.716 -15.263 -0.937 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.027 -15.968 -0.848 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.174 -15.037 -1.840 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.449 -14.301 -0.391 1.00 1.20 H new ATOM 207 N GLU A 14 75.056 -13.134 -5.000 1.00 0.88 N ATOM 208 CA GLU A 14 74.277 -12.844 -6.237 1.00 0.87 C ATOM 209 C GLU A 14 72.797 -13.164 -6.017 1.00 0.82 C ATOM 210 O GLU A 14 71.935 -12.336 -6.229 1.00 0.79 O ATOM 211 CB GLU A 14 74.870 -13.766 -7.304 1.00 0.99 C ATOM 212 CG GLU A 14 74.551 -13.214 -8.694 1.00 1.98 C ATOM 213 CD GLU A 14 75.847 -13.053 -9.490 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.817 -13.704 -9.140 1.00 3.17 O ATOM 215 OE2 GLU A 14 75.846 -12.283 -10.435 1.00 2.36 O ATOM 0 H GLU A 14 75.922 -13.653 -5.145 1.00 0.88 H new ATOM 0 HA GLU A 14 74.336 -11.794 -6.525 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.949 -13.845 -7.172 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.462 -14.771 -7.198 1.00 0.99 H new ATOM 0 HG2 GLU A 14 73.872 -13.887 -9.217 1.00 1.98 H new ATOM 0 HG3 GLU A 14 74.043 -12.253 -8.608 1.00 1.98 H new ATOM 222 N GLU A 15 72.498 -14.360 -5.590 1.00 0.85 N ATOM 223 CA GLU A 15 71.074 -14.735 -5.355 1.00 0.84 C ATOM 224 C GLU A 15 70.390 -13.686 -4.474 1.00 0.76 C ATOM 225 O GLU A 15 69.251 -13.324 -4.695 1.00 0.70 O ATOM 226 CB GLU A 15 71.134 -16.084 -4.638 1.00 0.92 C ATOM 227 CG GLU A 15 71.495 -17.180 -5.643 1.00 1.49 C ATOM 228 CD GLU A 15 72.245 -18.304 -4.926 1.00 1.88 C ATOM 229 OE1 GLU A 15 73.448 -18.178 -4.763 1.00 2.07 O ATOM 230 OE2 GLU A 15 71.604 -19.274 -4.554 1.00 2.62 O ATOM 0 H GLU A 15 73.178 -15.094 -5.393 1.00 0.85 H new ATOM 0 HA GLU A 15 70.502 -14.792 -6.281 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.874 -16.050 -3.839 1.00 0.92 H new ATOM 0 HB3 GLU A 15 70.173 -16.304 -4.173 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.591 -17.572 -6.110 1.00 1.49 H new ATOM 0 HG3 GLU A 15 72.113 -16.767 -6.441 1.00 1.49 H new ATOM 237 N GLN A 16 71.076 -13.196 -3.477 1.00 0.79 N ATOM 238 CA GLN A 16 70.462 -12.169 -2.585 1.00 0.74 C ATOM 239 C GLN A 16 70.128 -10.908 -3.386 1.00 0.68 C ATOM 240 O GLN A 16 69.157 -10.229 -3.116 1.00 0.67 O ATOM 241 CB GLN A 16 71.530 -11.870 -1.533 1.00 0.79 C ATOM 242 CG GLN A 16 71.225 -12.657 -0.257 1.00 0.88 C ATOM 243 CD GLN A 16 70.022 -12.032 0.454 1.00 1.70 C ATOM 244 OE1 GLN A 16 68.933 -12.003 -0.082 1.00 2.53 O ATOM 245 NE2 GLN A 16 70.176 -11.526 1.647 1.00 2.20 N ATOM 0 H GLN A 16 72.032 -13.461 -3.241 1.00 0.79 H new ATOM 0 HA GLN A 16 69.532 -12.514 -2.134 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.515 -12.140 -1.913 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.554 -10.802 -1.317 1.00 0.79 H new ATOM 0 HG2 GLN A 16 71.016 -13.699 -0.501 1.00 0.88 H new ATOM 0 HG3 GLN A 16 72.093 -12.652 0.402 1.00 0.88 H new ATOM 0 HE21 GLN A 16 71.091 -11.550 2.097 1.00 2.20 H new ATOM 0 HE22 GLN A 16 69.381 -11.106 2.129 1.00 2.20 H new ATOM 254 N LYS A 17 70.925 -10.590 -4.369 1.00 0.69 N ATOM 255 CA LYS A 17 70.651 -9.373 -5.187 1.00 0.68 C ATOM 256 C LYS A 17 69.404 -9.585 -6.049 1.00 0.62 C ATOM 257 O LYS A 17 68.628 -8.676 -6.269 1.00 0.57 O ATOM 258 CB LYS A 17 71.889 -9.200 -6.068 1.00 0.79 C ATOM 259 CG LYS A 17 73.147 -9.260 -5.198 1.00 1.01 C ATOM 260 CD LYS A 17 74.079 -8.104 -5.568 1.00 1.53 C ATOM 261 CE LYS A 17 75.520 -8.474 -5.204 1.00 1.70 C ATOM 262 NZ LYS A 17 75.504 -8.725 -3.733 1.00 2.33 N ATOM 0 H LYS A 17 71.753 -11.119 -4.641 1.00 0.69 H new ATOM 0 HA LYS A 17 70.464 -8.494 -4.570 1.00 0.68 H new ATOM 0 HB2 LYS A 17 71.921 -9.982 -6.827 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.843 -8.247 -6.595 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.876 -9.200 -4.144 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.657 -10.213 -5.342 1.00 1.01 H new ATOM 0 HD2 LYS A 17 74.005 -7.890 -6.634 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.780 -7.198 -5.040 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.849 -9.358 -5.750 1.00 1.70 H new ATOM 0 HE3 LYS A 17 76.209 -7.668 -5.458 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.250 -8.162 -3.277 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.578 -8.454 -3.345 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.673 -9.735 -3.551 1.00 2.33 H new ATOM 276 N ASN A 18 69.205 -10.777 -6.539 1.00 0.65 N ATOM 277 CA ASN A 18 68.008 -11.044 -7.386 1.00 0.64 C ATOM 278 C ASN A 18 66.731 -10.677 -6.626 1.00 0.58 C ATOM 279 O ASN A 18 65.897 -9.940 -7.114 1.00 0.56 O ATOM 280 CB ASN A 18 68.051 -12.545 -7.672 1.00 0.73 C ATOM 281 CG ASN A 18 68.987 -12.813 -8.851 1.00 0.91 C ATOM 282 OD1 ASN A 18 70.147 -13.371 -8.635 1.00 1.55 O flip ATOM 283 ND2 ASN A 18 68.661 -12.511 -9.982 1.00 1.35 N flip ATOM 0 H ASN A 18 69.819 -11.578 -6.390 1.00 0.65 H new ATOM 0 HA ASN A 18 68.011 -10.455 -8.303 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.396 -13.084 -6.790 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.050 -12.912 -7.898 1.00 0.73 H new ATOM 0 HD21 ASN A 18 67.755 -12.075 -10.152 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.294 -12.694 -10.761 1.00 1.35 H new ATOM 290 N GLU A 19 66.571 -11.185 -5.434 1.00 0.62 N ATOM 291 CA GLU A 19 65.348 -10.862 -4.646 1.00 0.64 C ATOM 292 C GLU A 19 65.181 -9.344 -4.532 1.00 0.58 C ATOM 293 O GLU A 19 64.206 -8.781 -4.985 1.00 0.61 O ATOM 294 CB GLU A 19 65.587 -11.482 -3.269 1.00 0.75 C ATOM 295 CG GLU A 19 64.247 -11.890 -2.653 1.00 1.47 C ATOM 296 CD GLU A 19 63.828 -13.256 -3.199 1.00 2.01 C ATOM 297 OE1 GLU A 19 64.142 -13.537 -4.343 1.00 2.64 O ATOM 298 OE2 GLU A 19 63.200 -13.999 -2.462 1.00 2.50 O ATOM 0 H GLU A 19 67.233 -11.809 -4.973 1.00 0.62 H new ATOM 0 HA GLU A 19 64.441 -11.247 -5.112 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.238 -12.352 -3.358 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.095 -10.768 -2.620 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.332 -11.931 -1.567 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.486 -11.145 -2.885 1.00 1.47 H new ATOM 305 N PHE A 20 66.130 -8.680 -3.930 1.00 0.58 N ATOM 306 CA PHE A 20 66.028 -7.198 -3.790 1.00 0.59 C ATOM 307 C PHE A 20 65.593 -6.574 -5.119 1.00 0.53 C ATOM 308 O PHE A 20 64.742 -5.708 -5.160 1.00 0.54 O ATOM 309 CB PHE A 20 67.437 -6.738 -3.416 1.00 0.67 C ATOM 310 CG PHE A 20 67.435 -6.204 -2.004 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.407 -5.354 -1.580 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.460 -6.558 -1.119 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.404 -4.858 -0.271 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.457 -6.062 0.190 1.00 2.57 C ATOM 315 CZ PHE A 20 67.429 -5.212 0.615 1.00 2.67 C ATOM 0 H PHE A 20 66.970 -9.098 -3.530 1.00 0.58 H new ATOM 0 HA PHE A 20 65.292 -6.901 -3.043 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.137 -7.569 -3.501 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.774 -5.966 -4.107 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.616 -5.081 -2.263 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.253 -7.214 -1.446 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.611 -4.202 0.056 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.248 -6.335 0.872 1.00 2.57 H new ATOM 0 HZ PHE A 20 67.426 -4.830 1.625 1.00 2.67 H new ATOM 325 N LYS A 21 66.171 -7.009 -6.206 1.00 0.53 N ATOM 326 CA LYS A 21 65.790 -6.443 -7.532 1.00 0.53 C ATOM 327 C LYS A 21 64.312 -6.720 -7.817 1.00 0.50 C ATOM 328 O LYS A 21 63.584 -5.858 -8.268 1.00 0.63 O ATOM 329 CB LYS A 21 66.678 -7.173 -8.542 1.00 0.61 C ATOM 330 CG LYS A 21 66.677 -6.411 -9.868 1.00 0.68 C ATOM 331 CD LYS A 21 66.464 -7.395 -11.021 1.00 1.26 C ATOM 332 CE LYS A 21 66.826 -6.717 -12.344 1.00 1.85 C ATOM 333 NZ LYS A 21 68.136 -7.310 -12.734 1.00 1.94 N ATOM 0 H LYS A 21 66.890 -7.732 -6.233 1.00 0.53 H new ATOM 0 HA LYS A 21 65.925 -5.362 -7.577 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.695 -7.253 -8.157 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.314 -8.189 -8.694 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.888 -5.659 -9.867 1.00 0.68 H new ATOM 0 HG3 LYS A 21 67.621 -5.882 -9.997 1.00 0.68 H new ATOM 0 HD2 LYS A 21 67.080 -8.282 -10.874 1.00 1.26 H new ATOM 0 HD3 LYS A 21 65.426 -7.727 -11.042 1.00 1.26 H new ATOM 0 HE2 LYS A 21 66.067 -6.903 -13.104 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.901 -5.636 -12.226 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.451 -6.894 -13.634 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 68.841 -7.111 -11.995 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.032 -8.339 -12.846 1.00 1.94 H new ATOM 347 N ALA A 22 63.863 -7.917 -7.554 1.00 0.51 N ATOM 348 CA ALA A 22 62.431 -8.249 -7.809 1.00 0.60 C ATOM 349 C ALA A 22 61.529 -7.445 -6.868 1.00 0.51 C ATOM 350 O ALA A 22 60.335 -7.350 -7.070 1.00 0.50 O ATOM 351 CB ALA A 22 62.313 -9.744 -7.518 1.00 0.76 C ATOM 0 H ALA A 22 64.425 -8.679 -7.174 1.00 0.51 H new ATOM 0 HA ALA A 22 62.125 -8.008 -8.827 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.285 -10.067 -7.683 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.978 -10.297 -8.181 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.592 -9.936 -6.482 1.00 0.76 H new ATOM 357 N ALA A 23 62.091 -6.868 -5.842 1.00 0.51 N ATOM 358 CA ALA A 23 61.264 -6.071 -4.889 1.00 0.47 C ATOM 359 C ALA A 23 61.516 -4.575 -5.094 1.00 0.43 C ATOM 360 O ALA A 23 60.742 -3.741 -4.669 1.00 0.46 O ATOM 361 CB ALA A 23 61.728 -6.507 -3.499 1.00 0.58 C ATOM 0 H ALA A 23 63.086 -6.913 -5.621 1.00 0.51 H new ATOM 0 HA ALA A 23 60.196 -6.236 -5.032 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.165 -5.964 -2.740 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.560 -7.577 -3.378 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.790 -6.291 -3.386 1.00 0.58 H new ATOM 367 N PHE A 24 62.595 -4.229 -5.742 1.00 0.54 N ATOM 368 CA PHE A 24 62.896 -2.787 -5.973 1.00 0.56 C ATOM 369 C PHE A 24 62.223 -2.306 -7.262 1.00 0.56 C ATOM 370 O PHE A 24 61.706 -1.208 -7.331 1.00 0.60 O ATOM 371 CB PHE A 24 64.417 -2.718 -6.107 1.00 0.66 C ATOM 372 CG PHE A 24 64.823 -1.324 -6.521 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.584 -0.885 -7.829 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.439 -0.472 -5.597 1.00 1.24 C ATOM 375 CE1 PHE A 24 64.960 0.408 -8.212 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.815 0.822 -5.981 1.00 1.24 C ATOM 377 CZ PHE A 24 65.576 1.261 -7.288 1.00 0.94 C ATOM 0 H PHE A 24 63.281 -4.882 -6.121 1.00 0.54 H new ATOM 0 HA PHE A 24 62.527 -2.154 -5.166 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.888 -2.979 -5.160 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.761 -3.443 -6.845 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.110 -1.543 -8.542 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.624 -0.812 -4.589 1.00 1.24 H new ATOM 0 HE1 PHE A 24 64.775 0.748 -9.220 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.289 1.480 -5.268 1.00 1.24 H new ATOM 0 HZ PHE A 24 65.867 2.258 -7.584 1.00 0.94 H new ATOM 387 N ASP A 25 62.227 -3.119 -8.283 1.00 0.58 N ATOM 388 CA ASP A 25 61.588 -2.709 -9.566 1.00 0.64 C ATOM 389 C ASP A 25 60.091 -2.465 -9.356 1.00 0.66 C ATOM 390 O ASP A 25 59.442 -1.805 -10.143 1.00 0.76 O ATOM 391 CB ASP A 25 61.810 -3.889 -10.511 1.00 0.68 C ATOM 392 CG ASP A 25 61.812 -3.393 -11.959 1.00 1.05 C ATOM 393 OD1 ASP A 25 61.803 -2.189 -12.153 1.00 1.78 O ATOM 394 OD2 ASP A 25 61.823 -4.228 -12.850 1.00 1.58 O ATOM 0 H ASP A 25 62.645 -4.049 -8.284 1.00 0.58 H new ATOM 0 HA ASP A 25 62.008 -1.784 -9.961 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.757 -4.378 -10.282 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.025 -4.632 -10.372 1.00 0.68 H new ATOM 399 N ILE A 26 59.539 -2.997 -8.301 1.00 0.61 N ATOM 400 CA ILE A 26 58.085 -2.801 -8.039 1.00 0.67 C ATOM 401 C ILE A 26 57.844 -1.453 -7.354 1.00 0.73 C ATOM 402 O ILE A 26 56.725 -1.096 -7.043 1.00 0.99 O ATOM 403 CB ILE A 26 57.698 -3.951 -7.117 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.050 -5.277 -7.802 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.194 -3.894 -6.835 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.321 -6.427 -7.111 1.00 0.84 C ATOM 0 H ILE A 26 60.032 -3.560 -7.608 1.00 0.61 H new ATOM 0 HA ILE A 26 57.495 -2.795 -8.956 1.00 0.67 H new ATOM 0 HB ILE A 26 58.240 -3.872 -6.174 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.771 -5.238 -8.855 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.127 -5.442 -7.764 1.00 0.66 H new ATOM 0 HG21 ILE A 26 55.916 -4.716 -6.176 1.00 0.83 H new ATOM 0 HG22 ILE A 26 55.949 -2.946 -6.356 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.645 -3.979 -7.773 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.575 -7.366 -7.602 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.622 -6.472 -6.064 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.245 -6.265 -7.173 1.00 0.84 H new ATOM 418 N PHE A 27 58.884 -0.703 -7.119 1.00 0.57 N ATOM 419 CA PHE A 27 58.713 0.621 -6.453 1.00 0.63 C ATOM 420 C PHE A 27 59.400 1.719 -7.271 1.00 0.59 C ATOM 421 O PHE A 27 59.724 2.773 -6.761 1.00 0.67 O ATOM 422 CB PHE A 27 59.387 0.470 -5.090 1.00 0.70 C ATOM 423 CG PHE A 27 58.535 -0.402 -4.199 1.00 0.67 C ATOM 424 CD1 PHE A 27 58.581 -1.795 -4.332 1.00 1.44 C ATOM 425 CD2 PHE A 27 57.700 0.182 -3.239 1.00 1.17 C ATOM 426 CE1 PHE A 27 57.792 -2.604 -3.505 1.00 1.65 C ATOM 427 CE2 PHE A 27 56.910 -0.628 -2.412 1.00 1.20 C ATOM 428 CZ PHE A 27 56.957 -2.019 -2.545 1.00 1.09 C ATOM 0 H PHE A 27 59.845 -0.948 -7.359 1.00 0.57 H new ATOM 0 HA PHE A 27 57.664 0.903 -6.361 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.377 0.029 -5.209 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.527 1.449 -4.632 1.00 0.70 H new ATOM 0 HD1 PHE A 27 59.225 -2.246 -5.073 1.00 1.44 H new ATOM 0 HD2 PHE A 27 57.665 1.256 -3.136 1.00 1.17 H new ATOM 0 HE1 PHE A 27 57.827 -3.679 -3.607 1.00 1.65 H new ATOM 0 HE2 PHE A 27 56.265 -0.178 -1.672 1.00 1.20 H new ATOM 0 HZ PHE A 27 56.349 -2.643 -1.907 1.00 1.09 H new ATOM 438 N VAL A 28 59.624 1.483 -8.535 1.00 0.58 N ATOM 439 CA VAL A 28 60.290 2.519 -9.377 1.00 0.59 C ATOM 440 C VAL A 28 59.244 3.371 -10.098 1.00 0.64 C ATOM 441 O VAL A 28 59.500 3.933 -11.143 1.00 0.73 O ATOM 442 CB VAL A 28 61.126 1.737 -10.388 1.00 0.60 C ATOM 443 CG1 VAL A 28 61.994 2.707 -11.188 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.022 0.740 -9.648 1.00 1.37 C ATOM 0 H VAL A 28 59.376 0.621 -9.020 1.00 0.58 H new ATOM 0 HA VAL A 28 60.900 3.199 -8.782 1.00 0.59 H new ATOM 0 HB VAL A 28 60.465 1.196 -11.066 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.591 2.150 -11.910 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.356 3.416 -11.715 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.655 3.248 -10.510 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.619 0.182 -10.370 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.683 1.279 -8.970 1.00 1.37 H new ATOM 0 HG23 VAL A 28 61.403 0.048 -9.077 1.00 1.37 H new ATOM 454 N LEU A 29 58.066 3.471 -9.550 1.00 0.75 N ATOM 455 CA LEU A 29 57.012 4.288 -10.211 1.00 0.91 C ATOM 456 C LEU A 29 57.571 5.666 -10.575 1.00 1.10 C ATOM 457 O LEU A 29 57.606 6.568 -9.761 1.00 1.54 O ATOM 458 CB LEU A 29 55.898 4.418 -9.172 1.00 1.17 C ATOM 459 CG LEU A 29 56.477 4.974 -7.870 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.613 6.138 -7.381 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.495 3.871 -6.811 1.00 1.73 C ATOM 0 H LEU A 29 57.788 3.024 -8.676 1.00 0.75 H new ATOM 0 HA LEU A 29 56.653 3.833 -11.134 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.114 5.077 -9.544 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.439 3.446 -8.992 1.00 1.17 H new ATOM 0 HG LEU A 29 57.493 5.327 -8.046 1.00 1.49 H new ATOM 0 HD11 LEU A 29 56.026 6.533 -6.453 1.00 2.09 H new ATOM 0 HD12 LEU A 29 55.600 6.924 -8.136 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.596 5.787 -7.205 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.907 4.265 -5.882 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.479 3.518 -6.636 1.00 1.73 H new ATOM 0 HD23 LEU A 29 57.112 3.042 -7.159 1.00 1.73 H new ATOM 473 N GLY A 30 58.012 5.834 -11.792 1.00 1.47 N ATOM 474 CA GLY A 30 58.573 7.150 -12.205 1.00 1.89 C ATOM 475 C GLY A 30 60.083 7.155 -11.962 1.00 1.94 C ATOM 476 O GLY A 30 60.812 6.357 -12.516 1.00 2.46 O ATOM 0 H GLY A 30 58.008 5.117 -12.517 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.362 7.334 -13.259 1.00 1.89 H new ATOM 0 HA3 GLY A 30 58.100 7.953 -11.640 1.00 1.89 H new ATOM 480 N ALA A 31 60.558 8.047 -11.136 1.00 1.89 N ATOM 481 CA ALA A 31 62.022 8.099 -10.858 1.00 2.14 C ATOM 482 C ALA A 31 62.800 8.320 -12.156 1.00 2.28 C ATOM 483 O ALA A 31 62.356 7.956 -13.227 1.00 2.46 O ATOM 484 CB ALA A 31 62.360 6.735 -10.256 1.00 1.97 C ATOM 0 H ALA A 31 59.997 8.741 -10.642 1.00 1.89 H new ATOM 0 HA ALA A 31 62.285 8.917 -10.188 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.424 6.694 -10.023 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.783 6.587 -9.343 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.115 5.950 -10.972 1.00 1.97 H new ATOM 490 N GLU A 32 63.957 8.916 -12.068 1.00 2.73 N ATOM 491 CA GLU A 32 64.767 9.161 -13.295 1.00 2.98 C ATOM 492 C GLU A 32 64.731 7.930 -14.204 1.00 2.33 C ATOM 493 O GLU A 32 64.158 7.954 -15.275 1.00 2.34 O ATOM 494 CB GLU A 32 66.187 9.413 -12.790 1.00 3.71 C ATOM 495 CG GLU A 32 66.596 10.851 -13.113 1.00 4.48 C ATOM 496 CD GLU A 32 67.829 11.229 -12.289 1.00 5.14 C ATOM 497 OE1 GLU A 32 67.674 11.466 -11.102 1.00 5.71 O ATOM 498 OE2 GLU A 32 68.907 11.275 -12.859 1.00 5.38 O ATOM 0 H GLU A 32 64.377 9.244 -11.199 1.00 2.73 H new ATOM 0 HA GLU A 32 64.389 10.000 -13.879 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.238 9.242 -11.715 1.00 3.71 H new ATOM 0 HB3 GLU A 32 66.880 8.713 -13.257 1.00 3.71 H new ATOM 0 HG2 GLU A 32 66.813 10.948 -14.177 1.00 4.48 H new ATOM 0 HG3 GLU A 32 65.775 11.532 -12.891 1.00 4.48 H new ATOM 505 N ASP A 33 65.339 6.854 -13.786 1.00 2.13 N ATOM 506 CA ASP A 33 65.338 5.625 -14.629 1.00 2.25 C ATOM 507 C ASP A 33 65.695 4.398 -13.786 1.00 1.67 C ATOM 508 O ASP A 33 66.720 3.776 -13.979 1.00 2.00 O ATOM 509 CB ASP A 33 66.409 5.876 -15.692 1.00 3.20 C ATOM 510 CG ASP A 33 67.684 6.387 -15.021 1.00 3.87 C ATOM 511 OD1 ASP A 33 67.795 7.589 -14.843 1.00 4.49 O ATOM 512 OD2 ASP A 33 68.529 5.569 -14.696 1.00 4.16 O ATOM 0 H ASP A 33 65.836 6.773 -12.899 1.00 2.13 H new ATOM 0 HA ASP A 33 64.361 5.429 -15.070 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.617 4.956 -16.238 1.00 3.20 H new ATOM 0 HB3 ASP A 33 66.051 6.605 -16.419 1.00 3.20 H new ATOM 517 N GLY A 34 64.855 4.042 -12.851 1.00 1.10 N ATOM 518 CA GLY A 34 65.146 2.854 -12.001 1.00 1.18 C ATOM 519 C GLY A 34 65.431 3.302 -10.566 1.00 0.92 C ATOM 520 O GLY A 34 66.352 2.830 -9.930 1.00 1.03 O ATOM 0 H GLY A 34 63.981 4.523 -12.640 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.299 2.168 -12.016 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.003 2.311 -12.399 1.00 1.18 H new ATOM 524 N CYS A 35 64.647 4.209 -10.051 1.00 0.78 N ATOM 525 CA CYS A 35 64.874 4.685 -8.654 1.00 0.68 C ATOM 526 C CYS A 35 63.540 4.806 -7.913 1.00 0.69 C ATOM 527 O CYS A 35 62.485 4.834 -8.516 1.00 0.89 O ATOM 528 CB CYS A 35 65.532 6.056 -8.806 1.00 0.78 C ATOM 529 SG CYS A 35 67.285 5.842 -9.206 1.00 1.27 S ATOM 0 H CYS A 35 63.860 4.641 -10.535 1.00 0.78 H new ATOM 0 HA CYS A 35 65.494 3.998 -8.078 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.035 6.625 -9.592 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.425 6.627 -7.884 1.00 0.78 H new ATOM 0 HG CYS A 35 67.846 7.008 -9.337 1.00 1.27 H new ATOM 535 N ILE A 36 63.577 4.877 -6.610 1.00 0.57 N ATOM 536 CA ILE A 36 62.307 4.994 -5.836 1.00 0.57 C ATOM 537 C ILE A 36 62.371 6.198 -4.891 1.00 0.50 C ATOM 538 O ILE A 36 63.428 6.731 -4.620 1.00 0.60 O ATOM 539 CB ILE A 36 62.207 3.691 -5.042 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.373 3.607 -4.054 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.267 2.502 -6.002 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.209 2.365 -3.175 1.00 0.75 C ATOM 0 H ILE A 36 64.429 4.859 -6.049 1.00 0.57 H new ATOM 0 HA ILE A 36 61.442 5.145 -6.481 1.00 0.57 H new ATOM 0 HB ILE A 36 61.264 3.669 -4.496 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.319 3.561 -4.594 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.403 4.503 -3.434 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.196 1.573 -5.436 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.438 2.562 -6.707 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.210 2.523 -6.548 1.00 0.72 H new ATOM 0 HD11 ILE A 36 64.039 2.305 -2.471 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.271 2.430 -2.624 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.200 1.474 -3.802 1.00 0.75 H new ATOM 554 N SER A 37 61.245 6.627 -4.386 1.00 0.54 N ATOM 555 CA SER A 37 61.242 7.795 -3.459 1.00 0.50 C ATOM 556 C SER A 37 61.562 7.338 -2.033 1.00 0.48 C ATOM 557 O SER A 37 61.120 6.297 -1.590 1.00 0.60 O ATOM 558 CB SER A 37 59.824 8.358 -3.534 1.00 0.55 C ATOM 559 OG SER A 37 59.702 9.449 -2.632 1.00 1.02 O ATOM 0 H SER A 37 60.329 6.220 -4.575 1.00 0.54 H new ATOM 0 HA SER A 37 61.991 8.539 -3.731 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.604 8.685 -4.550 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.099 7.583 -3.285 1.00 0.55 H new ATOM 0 HG SER A 37 58.793 9.813 -2.680 1.00 1.02 H new ATOM 565 N THR A 38 62.327 8.110 -1.310 1.00 0.48 N ATOM 566 CA THR A 38 62.673 7.719 0.086 1.00 0.53 C ATOM 567 C THR A 38 61.407 7.331 0.857 1.00 0.53 C ATOM 568 O THR A 38 61.462 6.624 1.844 1.00 0.59 O ATOM 569 CB THR A 38 63.314 8.966 0.698 1.00 0.64 C ATOM 570 OG1 THR A 38 62.407 10.055 0.604 1.00 0.62 O ATOM 571 CG2 THR A 38 64.600 9.301 -0.058 1.00 0.85 C ATOM 0 H THR A 38 62.727 8.994 -1.625 1.00 0.48 H new ATOM 0 HA THR A 38 63.341 6.858 0.121 1.00 0.53 H new ATOM 0 HB THR A 38 63.550 8.780 1.746 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.814 10.855 0.997 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.057 10.189 0.378 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.294 8.463 0.015 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.367 9.489 -1.106 1.00 0.85 H new ATOM 579 N LYS A 39 60.268 7.789 0.414 1.00 0.60 N ATOM 580 CA LYS A 39 59.000 7.446 1.122 1.00 0.73 C ATOM 581 C LYS A 39 58.521 6.053 0.705 1.00 0.66 C ATOM 582 O LYS A 39 57.809 5.389 1.431 1.00 0.87 O ATOM 583 CB LYS A 39 57.999 8.513 0.679 1.00 0.90 C ATOM 584 CG LYS A 39 57.078 8.865 1.849 1.00 1.78 C ATOM 585 CD LYS A 39 55.910 9.713 1.343 1.00 2.12 C ATOM 586 CE LYS A 39 55.224 8.996 0.179 1.00 2.70 C ATOM 587 NZ LYS A 39 53.772 9.279 0.355 1.00 2.96 N ATOM 0 H LYS A 39 60.160 8.385 -0.406 1.00 0.60 H new ATOM 0 HA LYS A 39 59.123 7.427 2.205 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.527 9.403 0.338 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.411 8.148 -0.163 1.00 0.90 H new ATOM 0 HG2 LYS A 39 56.704 7.955 2.318 1.00 1.78 H new ATOM 0 HG3 LYS A 39 57.634 9.411 2.611 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.196 9.886 2.149 1.00 2.12 H new ATOM 0 HD3 LYS A 39 56.269 10.690 1.021 1.00 2.12 H new ATOM 0 HE2 LYS A 39 55.585 9.366 -0.781 1.00 2.70 H new ATOM 0 HE3 LYS A 39 55.423 7.925 0.203 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 53.234 8.820 -0.407 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 53.455 8.909 1.274 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 53.612 10.306 0.321 1.00 2.96 H new ATOM 601 N GLU A 40 58.908 5.604 -0.458 1.00 0.52 N ATOM 602 CA GLU A 40 58.472 4.254 -0.919 1.00 0.56 C ATOM 603 C GLU A 40 59.378 3.173 -0.323 1.00 0.52 C ATOM 604 O GLU A 40 58.951 2.066 -0.061 1.00 0.59 O ATOM 605 CB GLU A 40 58.608 4.292 -2.442 1.00 0.71 C ATOM 606 CG GLU A 40 57.565 5.247 -3.024 1.00 1.06 C ATOM 607 CD GLU A 40 56.189 4.581 -2.994 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.941 3.739 -3.840 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.406 4.924 -2.123 1.00 2.23 O ATOM 0 H GLU A 40 59.507 6.113 -1.109 1.00 0.52 H new ATOM 0 HA GLU A 40 57.454 4.020 -0.608 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.610 4.618 -2.720 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.472 3.292 -2.855 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.545 6.173 -2.450 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.830 5.512 -4.048 1.00 1.06 H new ATOM 616 N LEU A 41 60.627 3.484 -0.109 1.00 0.51 N ATOM 617 CA LEU A 41 61.560 2.474 0.470 1.00 0.54 C ATOM 618 C LEU A 41 60.937 1.832 1.712 1.00 0.56 C ATOM 619 O LEU A 41 61.106 0.657 1.968 1.00 0.70 O ATOM 620 CB LEU A 41 62.813 3.266 0.846 1.00 0.62 C ATOM 621 CG LEU A 41 63.996 2.310 1.000 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.249 3.105 1.371 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.691 1.296 2.104 1.00 1.40 C ATOM 0 H LEU A 41 61.043 4.394 -0.310 1.00 0.51 H new ATOM 0 HA LEU A 41 61.782 1.666 -0.227 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.030 4.009 0.078 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.647 3.809 1.777 1.00 0.62 H new ATOM 0 HG LEU A 41 64.164 1.785 0.060 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.093 2.424 1.481 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.467 3.829 0.585 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.082 3.630 2.311 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.534 0.614 2.215 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.524 1.821 3.044 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.798 0.729 1.841 1.00 1.40 H new ATOM 635 N GLY A 42 60.219 2.597 2.488 1.00 0.57 N ATOM 636 CA GLY A 42 59.586 2.034 3.714 1.00 0.60 C ATOM 637 C GLY A 42 58.942 0.686 3.388 1.00 0.55 C ATOM 638 O GLY A 42 59.344 -0.344 3.893 1.00 0.57 O ATOM 0 H GLY A 42 60.043 3.589 2.326 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.334 1.911 4.497 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.834 2.724 4.097 1.00 0.60 H new ATOM 642 N LYS A 43 57.942 0.682 2.549 1.00 0.57 N ATOM 643 CA LYS A 43 57.271 -0.602 2.194 1.00 0.58 C ATOM 644 C LYS A 43 58.297 -1.607 1.664 1.00 0.56 C ATOM 645 O LYS A 43 58.182 -2.797 1.879 1.00 0.60 O ATOM 646 CB LYS A 43 56.266 -0.235 1.101 1.00 0.65 C ATOM 647 CG LYS A 43 54.867 -0.129 1.711 1.00 0.99 C ATOM 648 CD LYS A 43 54.082 0.976 1.000 1.00 1.28 C ATOM 649 CE LYS A 43 52.840 1.329 1.821 1.00 1.53 C ATOM 650 NZ LYS A 43 52.651 2.793 1.625 1.00 1.86 N ATOM 0 H LYS A 43 57.561 1.511 2.094 1.00 0.57 H new ATOM 0 HA LYS A 43 56.787 -1.066 3.054 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.545 0.711 0.638 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.276 -0.990 0.315 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.344 -1.080 1.615 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.939 0.089 2.776 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.709 1.858 0.873 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.790 0.646 0.003 1.00 1.28 H new ATOM 0 HE2 LYS A 43 51.969 0.770 1.479 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.981 1.087 2.874 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.816 3.110 2.159 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.493 3.300 1.965 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.512 2.993 0.614 1.00 1.86 H new ATOM 664 N VAL A 44 59.298 -1.138 0.972 1.00 0.54 N ATOM 665 CA VAL A 44 60.330 -2.064 0.428 1.00 0.56 C ATOM 666 C VAL A 44 61.114 -2.713 1.573 1.00 0.59 C ATOM 667 O VAL A 44 61.615 -3.813 1.450 1.00 0.57 O ATOM 668 CB VAL A 44 61.240 -1.176 -0.422 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.578 -1.879 -0.656 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.568 -0.907 -1.771 1.00 1.36 C ATOM 0 H VAL A 44 59.446 -0.151 0.759 1.00 0.54 H new ATOM 0 HA VAL A 44 59.897 -2.878 -0.154 1.00 0.56 H new ATOM 0 HB VAL A 44 61.413 -0.234 0.099 1.00 0.59 H new ATOM 0 HG11 VAL A 44 63.222 -1.242 -1.262 1.00 1.36 H new ATOM 0 HG12 VAL A 44 63.059 -2.075 0.302 1.00 1.36 H new ATOM 0 HG13 VAL A 44 62.408 -2.822 -1.176 1.00 1.36 H new ATOM 0 HG21 VAL A 44 61.214 -0.274 -2.380 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.396 -1.852 -2.286 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.615 -0.403 -1.609 1.00 1.36 H new ATOM 680 N MET A 45 61.223 -2.042 2.686 1.00 0.74 N ATOM 681 CA MET A 45 61.973 -2.620 3.837 1.00 0.84 C ATOM 682 C MET A 45 61.093 -3.620 4.592 1.00 0.86 C ATOM 683 O MET A 45 61.568 -4.606 5.120 1.00 0.89 O ATOM 684 CB MET A 45 62.315 -1.427 4.728 1.00 0.96 C ATOM 685 CG MET A 45 63.610 -0.778 4.237 1.00 1.12 C ATOM 686 SD MET A 45 65.020 -1.522 5.093 1.00 1.48 S ATOM 687 CE MET A 45 66.118 -0.085 5.013 1.00 0.73 C ATOM 0 H MET A 45 60.825 -1.117 2.849 1.00 0.74 H new ATOM 0 HA MET A 45 62.866 -3.159 3.519 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.502 -0.701 4.710 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.428 -1.753 5.762 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.712 -0.914 3.160 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.584 0.296 4.422 1.00 1.12 H new ATOM 0 HE1 MET A 45 67.124 -0.379 5.312 1.00 0.73 H new ATOM 0 HE2 MET A 45 66.140 0.300 3.993 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.752 0.691 5.686 1.00 0.73 H new ATOM 697 N ARG A 46 59.813 -3.372 4.647 1.00 0.94 N ATOM 698 CA ARG A 46 58.902 -4.306 5.368 1.00 1.04 C ATOM 699 C ARG A 46 58.758 -5.615 4.586 1.00 1.00 C ATOM 700 O ARG A 46 58.336 -6.624 5.116 1.00 1.04 O ATOM 701 CB ARG A 46 57.561 -3.576 5.437 1.00 1.21 C ATOM 702 CG ARG A 46 57.779 -2.153 5.954 1.00 1.04 C ATOM 703 CD ARG A 46 57.076 -1.987 7.303 1.00 1.77 C ATOM 704 NE ARG A 46 56.278 -0.736 7.172 1.00 2.29 N ATOM 705 CZ ARG A 46 55.366 -0.446 8.061 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.256 -1.165 9.145 1.00 3.10 N ATOM 707 NH2 ARG A 46 54.563 0.564 7.865 1.00 3.45 N ATOM 0 H ARG A 46 59.358 -2.563 4.224 1.00 0.94 H new ATOM 0 HA ARG A 46 59.278 -4.566 6.358 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.099 -3.549 4.450 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.877 -4.112 6.095 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.845 -1.953 6.060 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.389 -1.430 5.237 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.436 -2.842 7.522 1.00 1.77 H new ATOM 0 HD3 ARG A 46 57.797 -1.912 8.117 1.00 1.77 H new ATOM 0 HE ARG A 46 56.444 -0.105 6.388 1.00 2.29 H new ATOM 0 HH11 ARG A 46 55.883 -1.955 9.299 1.00 3.10 H new ATOM 0 HH12 ARG A 46 54.543 -0.937 9.838 1.00 3.10 H new ATOM 0 HH21 ARG A 46 54.648 1.126 7.018 1.00 3.45 H new ATOM 0 HH22 ARG A 46 53.851 0.791 8.559 1.00 3.45 H new ATOM 721 N MET A 47 59.105 -5.605 3.328 1.00 0.98 N ATOM 722 CA MET A 47 58.985 -6.847 2.511 1.00 1.04 C ATOM 723 C MET A 47 60.170 -7.778 2.780 1.00 0.99 C ATOM 724 O MET A 47 60.059 -8.984 2.681 1.00 1.07 O ATOM 725 CB MET A 47 58.998 -6.367 1.059 1.00 1.19 C ATOM 726 CG MET A 47 57.561 -6.202 0.563 1.00 1.37 C ATOM 727 SD MET A 47 57.519 -4.978 -0.769 1.00 1.89 S ATOM 728 CE MET A 47 58.724 -5.781 -1.853 1.00 1.30 C ATOM 0 H MET A 47 59.466 -4.791 2.830 1.00 0.98 H new ATOM 0 HA MET A 47 58.082 -7.410 2.747 1.00 1.04 H new ATOM 0 HB2 MET A 47 59.531 -5.419 0.983 1.00 1.19 H new ATOM 0 HB3 MET A 47 59.530 -7.083 0.433 1.00 1.19 H new ATOM 0 HG2 MET A 47 57.176 -7.157 0.206 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.916 -5.885 1.383 1.00 1.37 H new ATOM 0 HE1 MET A 47 58.639 -5.370 -2.859 1.00 1.30 H new ATOM 0 HE2 MET A 47 59.730 -5.604 -1.473 1.00 1.30 H new ATOM 0 HE3 MET A 47 58.530 -6.853 -1.881 1.00 1.30 H new ATOM 738 N LEU A 48 61.304 -7.229 3.120 1.00 0.93 N ATOM 739 CA LEU A 48 62.494 -8.086 3.393 1.00 0.98 C ATOM 740 C LEU A 48 62.573 -8.422 4.886 1.00 1.32 C ATOM 741 O LEU A 48 63.193 -9.389 5.281 1.00 1.80 O ATOM 742 CB LEU A 48 63.697 -7.245 2.966 1.00 1.21 C ATOM 743 CG LEU A 48 64.000 -7.505 1.489 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.655 -6.261 0.669 1.00 2.11 C ATOM 745 CD2 LEU A 48 65.487 -7.827 1.324 1.00 1.86 C ATOM 0 H LEU A 48 61.459 -6.226 3.221 1.00 0.93 H new ATOM 0 HA LEU A 48 62.451 -9.034 2.857 1.00 0.98 H new ATOM 0 HB2 LEU A 48 63.490 -6.187 3.125 1.00 1.21 H new ATOM 0 HB3 LEU A 48 64.565 -7.495 3.576 1.00 1.21 H new ATOM 0 HG LEU A 48 63.403 -8.347 1.139 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.871 -6.447 -0.383 1.00 2.11 H new ATOM 0 HD12 LEU A 48 62.596 -6.030 0.787 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.251 -5.418 1.018 1.00 2.11 H new ATOM 0 HD21 LEU A 48 65.705 -8.013 0.272 1.00 1.86 H new ATOM 0 HD22 LEU A 48 66.083 -6.984 1.675 1.00 1.86 H new ATOM 0 HD23 LEU A 48 65.734 -8.714 1.908 1.00 1.86 H new ATOM 757 N GLY A 49 61.949 -7.633 5.716 1.00 1.36 N ATOM 758 CA GLY A 49 61.988 -7.910 7.180 1.00 1.95 C ATOM 759 C GLY A 49 62.457 -6.661 7.928 1.00 1.43 C ATOM 760 O GLY A 49 63.106 -6.747 8.952 1.00 1.92 O ATOM 0 H GLY A 49 61.414 -6.808 5.444 1.00 1.36 H new ATOM 0 HA2 GLY A 49 60.999 -8.206 7.530 1.00 1.95 H new ATOM 0 HA3 GLY A 49 62.661 -8.743 7.385 1.00 1.95 H new ATOM 764 N GLN A 50 62.132 -5.501 7.427 1.00 1.21 N ATOM 765 CA GLN A 50 62.559 -4.247 8.112 1.00 1.01 C ATOM 766 C GLN A 50 61.394 -3.256 8.171 1.00 1.02 C ATOM 767 O GLN A 50 60.773 -2.952 7.171 1.00 1.23 O ATOM 768 CB GLN A 50 63.694 -3.691 7.252 1.00 1.43 C ATOM 769 CG GLN A 50 64.993 -4.428 7.585 1.00 1.58 C ATOM 770 CD GLN A 50 65.752 -3.662 8.671 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.183 -2.838 9.358 1.00 3.08 O ATOM 772 NE2 GLN A 50 67.021 -3.903 8.855 1.00 3.14 N ATOM 0 H GLN A 50 61.590 -5.367 6.574 1.00 1.21 H new ATOM 0 HA GLN A 50 62.878 -4.425 9.139 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.456 -3.810 6.195 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.812 -2.623 7.433 1.00 1.43 H new ATOM 0 HG2 GLN A 50 64.772 -5.440 7.926 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.610 -4.520 6.691 1.00 1.58 H new ATOM 0 HE21 GLN A 50 67.498 -4.595 8.277 1.00 3.14 H new ATOM 0 HE22 GLN A 50 67.536 -3.399 9.577 1.00 3.14 H new ATOM 781 N ASN A 51 61.091 -2.750 9.335 1.00 0.98 N ATOM 782 CA ASN A 51 59.965 -1.780 9.456 1.00 1.08 C ATOM 783 C ASN A 51 60.364 -0.617 10.369 1.00 0.93 C ATOM 784 O ASN A 51 59.787 -0.426 11.420 1.00 1.15 O ATOM 785 CB ASN A 51 58.819 -2.580 10.075 1.00 1.52 C ATOM 786 CG ASN A 51 59.289 -3.219 11.383 1.00 1.82 C ATOM 787 OD1 ASN A 51 59.501 -4.506 11.427 1.00 2.25 O flip ATOM 788 ND2 ASN A 51 59.465 -2.540 12.375 1.00 2.47 N flip ATOM 0 H ASN A 51 61.574 -2.966 10.207 1.00 0.98 H new ATOM 0 HA ASN A 51 59.687 -1.347 8.495 1.00 1.08 H new ATOM 0 HB2 ASN A 51 57.966 -1.928 10.263 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.484 -3.351 9.381 1.00 1.52 H new ATOM 0 HD21 ASN A 51 59.299 -1.534 12.341 1.00 2.47 H new ATOM 0 HD22 ASN A 51 59.778 -2.976 13.242 1.00 2.47 H new ATOM 795 N PRO A 52 61.345 0.125 9.931 1.00 0.72 N ATOM 796 CA PRO A 52 61.834 1.284 10.715 1.00 0.80 C ATOM 797 C PRO A 52 60.831 2.440 10.641 1.00 0.80 C ATOM 798 O PRO A 52 60.003 2.500 9.754 1.00 0.80 O ATOM 799 CB PRO A 52 63.143 1.656 10.026 1.00 0.85 C ATOM 800 CG PRO A 52 63.004 1.148 8.626 1.00 0.79 C ATOM 801 CD PRO A 52 62.085 -0.046 8.675 1.00 0.71 C ATOM 0 HA PRO A 52 61.964 1.061 11.774 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.304 2.734 10.040 1.00 0.85 H new ATOM 0 HB3 PRO A 52 63.996 1.200 10.528 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.596 1.921 7.975 1.00 0.79 H new ATOM 0 HG3 PRO A 52 63.976 0.869 8.220 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.414 -0.068 7.816 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.645 -0.981 8.666 1.00 0.71 H new ATOM 809 N THR A 53 60.897 3.356 11.568 1.00 0.87 N ATOM 810 CA THR A 53 59.946 4.505 11.549 1.00 0.92 C ATOM 811 C THR A 53 60.317 5.481 10.429 1.00 0.82 C ATOM 812 O THR A 53 61.448 5.518 9.987 1.00 0.76 O ATOM 813 CB THR A 53 60.102 5.170 12.917 1.00 1.08 C ATOM 814 OG1 THR A 53 61.421 5.683 13.044 1.00 1.26 O ATOM 815 CG2 THR A 53 59.844 4.141 14.018 1.00 1.54 C ATOM 0 H THR A 53 61.567 3.359 12.337 1.00 0.87 H new ATOM 0 HA THR A 53 58.919 4.189 11.365 1.00 0.92 H new ATOM 0 HB THR A 53 59.384 5.985 13.010 1.00 1.08 H new ATOM 0 HG1 THR A 53 61.523 6.111 13.920 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.955 4.616 14.993 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.832 3.748 13.919 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.560 3.324 13.928 1.00 1.54 H new ATOM 823 N PRO A 54 59.343 6.242 10.008 1.00 0.82 N ATOM 824 CA PRO A 54 59.561 7.232 8.925 1.00 0.75 C ATOM 825 C PRO A 54 60.380 8.421 9.440 1.00 0.73 C ATOM 826 O PRO A 54 60.894 9.209 8.673 1.00 0.69 O ATOM 827 CB PRO A 54 58.147 7.665 8.546 1.00 0.83 C ATOM 828 CG PRO A 54 57.321 7.404 9.765 1.00 0.94 C ATOM 829 CD PRO A 54 57.960 6.250 10.496 1.00 0.93 C ATOM 0 HA PRO A 54 60.118 6.827 8.080 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.118 8.719 8.268 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.777 7.100 7.691 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.283 8.289 10.401 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.294 7.164 9.490 1.00 0.94 H new ATOM 0 HD2 PRO A 54 57.919 6.390 11.576 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.454 5.310 10.277 1.00 0.93 H new ATOM 837 N GLU A 55 60.505 8.555 10.732 1.00 0.85 N ATOM 838 CA GLU A 55 61.290 9.693 11.292 1.00 0.87 C ATOM 839 C GLU A 55 62.784 9.357 11.292 1.00 0.84 C ATOM 840 O GLU A 55 63.626 10.228 11.202 1.00 0.82 O ATOM 841 CB GLU A 55 60.778 9.864 12.723 1.00 1.02 C ATOM 842 CG GLU A 55 59.926 11.130 12.813 1.00 1.48 C ATOM 843 CD GLU A 55 59.613 11.433 14.280 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.465 11.169 15.114 1.00 2.53 O ATOM 845 OE2 GLU A 55 58.527 11.922 14.545 1.00 2.57 O ATOM 0 H GLU A 55 60.098 7.926 11.424 1.00 0.85 H new ATOM 0 HA GLU A 55 61.170 10.604 10.706 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.189 8.995 13.016 1.00 1.02 H new ATOM 0 HB3 GLU A 55 61.617 9.928 13.415 1.00 1.02 H new ATOM 0 HG2 GLU A 55 60.455 11.970 12.362 1.00 1.48 H new ATOM 0 HG3 GLU A 55 59.000 10.999 12.253 1.00 1.48 H new ATOM 852 N GLU A 56 63.117 8.099 11.395 1.00 0.88 N ATOM 853 CA GLU A 56 64.556 7.706 11.402 1.00 0.91 C ATOM 854 C GLU A 56 65.062 7.518 9.969 1.00 0.80 C ATOM 855 O GLU A 56 66.244 7.599 9.702 1.00 0.81 O ATOM 856 CB GLU A 56 64.599 6.381 12.164 1.00 1.00 C ATOM 857 CG GLU A 56 65.251 6.598 13.532 1.00 1.44 C ATOM 858 CD GLU A 56 64.806 5.492 14.491 1.00 1.39 C ATOM 859 OE1 GLU A 56 64.341 4.471 14.012 1.00 2.00 O ATOM 860 OE2 GLU A 56 64.938 5.686 15.688 1.00 1.79 O ATOM 0 H GLU A 56 62.456 7.327 11.475 1.00 0.88 H new ATOM 0 HA GLU A 56 65.189 8.464 11.864 1.00 0.91 H new ATOM 0 HB2 GLU A 56 63.590 5.988 12.289 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.161 5.640 11.595 1.00 1.00 H new ATOM 0 HG2 GLU A 56 66.337 6.594 13.434 1.00 1.44 H new ATOM 0 HG3 GLU A 56 64.971 7.573 13.930 1.00 1.44 H new ATOM 867 N LEU A 57 64.175 7.266 9.044 1.00 0.75 N ATOM 868 CA LEU A 57 64.607 7.073 7.630 1.00 0.70 C ATOM 869 C LEU A 57 65.012 8.413 7.011 1.00 0.67 C ATOM 870 O LEU A 57 66.127 8.589 6.563 1.00 0.71 O ATOM 871 CB LEU A 57 63.382 6.501 6.916 1.00 0.69 C ATOM 872 CG LEU A 57 63.158 5.055 7.364 1.00 1.00 C ATOM 873 CD1 LEU A 57 61.796 4.570 6.864 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.260 4.166 6.782 1.00 1.41 C ATOM 0 H LEU A 57 63.171 7.186 9.206 1.00 0.75 H new ATOM 0 HA LEU A 57 65.471 6.413 7.550 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.502 7.103 7.142 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.526 6.540 5.836 1.00 0.69 H new ATOM 0 HG LEU A 57 63.184 5.004 8.452 1.00 1.00 H new ATOM 0 HD11 LEU A 57 61.637 3.540 7.183 1.00 1.51 H new ATOM 0 HD12 LEU A 57 61.010 5.203 7.276 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.769 4.621 5.776 1.00 1.51 H new ATOM 0 HD21 LEU A 57 64.102 3.135 7.100 1.00 1.41 H new ATOM 0 HD22 LEU A 57 64.233 4.218 5.694 1.00 1.41 H new ATOM 0 HD23 LEU A 57 65.231 4.511 7.137 1.00 1.41 H new ATOM 886 N GLN A 58 64.114 9.359 6.980 1.00 0.68 N ATOM 887 CA GLN A 58 64.447 10.687 6.389 1.00 0.72 C ATOM 888 C GLN A 58 65.778 11.196 6.949 1.00 0.71 C ATOM 889 O GLN A 58 66.522 11.884 6.279 1.00 0.79 O ATOM 890 CB GLN A 58 63.299 11.606 6.808 1.00 0.79 C ATOM 891 CG GLN A 58 62.539 12.071 5.564 1.00 1.09 C ATOM 892 CD GLN A 58 61.920 10.863 4.861 1.00 1.67 C ATOM 893 OE1 GLN A 58 61.050 10.209 5.402 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.333 10.534 3.667 1.00 2.20 N ATOM 0 H GLN A 58 63.163 9.270 7.339 1.00 0.68 H new ATOM 0 HA GLN A 58 64.557 10.642 5.305 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.625 11.079 7.483 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.688 12.466 7.353 1.00 0.79 H new ATOM 0 HG2 GLN A 58 61.760 12.780 5.845 1.00 1.09 H new ATOM 0 HG3 GLN A 58 63.215 12.592 4.886 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.063 11.081 3.211 1.00 2.20 H new ATOM 0 HE22 GLN A 58 61.926 9.730 3.190 1.00 2.20 H new ATOM 903 N GLU A 59 66.085 10.862 8.173 1.00 0.70 N ATOM 904 CA GLU A 59 67.369 11.328 8.773 1.00 0.72 C ATOM 905 C GLU A 59 68.554 10.662 8.067 1.00 0.73 C ATOM 906 O GLU A 59 69.499 11.315 7.671 1.00 0.75 O ATOM 907 CB GLU A 59 67.302 10.892 10.237 1.00 0.75 C ATOM 908 CG GLU A 59 66.095 11.548 10.910 1.00 1.37 C ATOM 909 CD GLU A 59 66.535 12.840 11.601 1.00 1.66 C ATOM 910 OE1 GLU A 59 66.529 13.869 10.946 1.00 2.42 O ATOM 911 OE2 GLU A 59 66.870 12.778 12.772 1.00 2.02 O ATOM 0 H GLU A 59 65.504 10.287 8.783 1.00 0.70 H new ATOM 0 HA GLU A 59 67.505 12.405 8.675 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.222 9.807 10.301 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.219 11.175 10.754 1.00 0.75 H new ATOM 0 HG2 GLU A 59 65.325 11.763 10.169 1.00 1.37 H new ATOM 0 HG3 GLU A 59 65.656 10.866 11.637 1.00 1.37 H new ATOM 918 N MET A 60 68.510 9.369 7.905 1.00 0.79 N ATOM 919 CA MET A 60 69.633 8.662 7.225 1.00 0.84 C ATOM 920 C MET A 60 69.760 9.144 5.777 1.00 0.82 C ATOM 921 O MET A 60 70.847 9.354 5.274 1.00 0.96 O ATOM 922 CB MET A 60 69.251 7.182 7.267 1.00 0.93 C ATOM 923 CG MET A 60 70.382 6.380 7.914 1.00 1.27 C ATOM 924 SD MET A 60 70.025 6.149 9.674 1.00 1.65 S ATOM 925 CE MET A 60 69.021 4.654 9.508 1.00 0.97 C ATOM 0 H MET A 60 67.744 8.770 8.214 1.00 0.79 H new ATOM 0 HA MET A 60 70.593 8.849 7.707 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.328 7.050 7.832 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.062 6.816 6.258 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.484 5.413 7.422 1.00 1.27 H new ATOM 0 HG3 MET A 60 71.331 6.902 7.790 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.687 4.329 10.493 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.154 4.866 8.883 1.00 0.97 H new ATOM 0 HE3 MET A 60 69.616 3.865 9.048 1.00 0.97 H new ATOM 935 N ILE A 61 68.657 9.321 5.102 1.00 0.76 N ATOM 936 CA ILE A 61 68.712 9.788 3.686 1.00 0.78 C ATOM 937 C ILE A 61 69.355 11.176 3.609 1.00 0.77 C ATOM 938 O ILE A 61 69.691 11.656 2.546 1.00 0.82 O ATOM 939 CB ILE A 61 67.252 9.846 3.234 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.748 8.427 2.963 1.00 0.90 C ATOM 941 CG2 ILE A 61 67.141 10.679 1.956 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.350 8.258 3.559 1.00 0.98 C ATOM 0 H ILE A 61 67.719 9.162 5.470 1.00 0.76 H new ATOM 0 HA ILE A 61 69.309 9.129 3.056 1.00 0.78 H new ATOM 0 HB ILE A 61 66.649 10.305 4.017 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.722 8.238 1.890 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.431 7.698 3.399 1.00 0.90 H new ATOM 0 HG21 ILE A 61 66.100 10.718 1.637 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.500 11.690 2.148 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.744 10.223 1.171 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.992 7.247 3.365 1.00 0.98 H new ATOM 0 HD12 ILE A 61 65.390 8.429 4.635 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.670 8.977 3.102 1.00 0.98 H new ATOM 954 N ASP A 62 69.527 11.824 4.729 1.00 0.82 N ATOM 955 CA ASP A 62 70.145 13.181 4.716 1.00 0.90 C ATOM 956 C ASP A 62 71.574 13.108 4.168 1.00 0.85 C ATOM 957 O ASP A 62 71.888 13.689 3.148 1.00 0.91 O ATOM 958 CB ASP A 62 70.153 13.626 6.178 1.00 1.03 C ATOM 959 CG ASP A 62 70.728 15.039 6.279 1.00 1.58 C ATOM 960 OD1 ASP A 62 70.341 15.873 5.477 1.00 2.06 O ATOM 961 OD2 ASP A 62 71.546 15.264 7.156 1.00 2.24 O ATOM 0 H ASP A 62 69.267 11.473 5.651 1.00 0.82 H new ATOM 0 HA ASP A 62 69.598 13.878 4.081 1.00 0.90 H new ATOM 0 HB2 ASP A 62 69.140 13.605 6.581 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.749 12.936 6.776 1.00 1.03 H new ATOM 966 N GLU A 63 72.442 12.400 4.837 1.00 0.84 N ATOM 967 CA GLU A 63 73.849 12.293 4.351 1.00 0.91 C ATOM 968 C GLU A 63 73.908 11.433 3.086 1.00 1.01 C ATOM 969 O GLU A 63 74.907 11.395 2.396 1.00 1.32 O ATOM 970 CB GLU A 63 74.613 11.622 5.495 1.00 0.99 C ATOM 971 CG GLU A 63 74.251 10.137 5.552 1.00 1.35 C ATOM 972 CD GLU A 63 74.522 9.600 6.958 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.679 9.790 7.818 1.00 2.14 O ATOM 974 OE2 GLU A 63 75.571 9.007 7.152 1.00 2.00 O ATOM 0 H GLU A 63 72.240 11.891 5.698 1.00 0.84 H new ATOM 0 HA GLU A 63 74.272 13.264 4.093 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.686 11.740 5.347 1.00 0.99 H new ATOM 0 HB3 GLU A 63 74.367 12.103 6.442 1.00 0.99 H new ATOM 0 HG2 GLU A 63 73.201 9.997 5.294 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.836 9.581 4.820 1.00 1.35 H new ATOM 981 N VAL A 64 72.845 10.743 2.775 1.00 0.92 N ATOM 982 CA VAL A 64 72.841 9.887 1.555 1.00 1.07 C ATOM 983 C VAL A 64 72.409 10.705 0.336 1.00 1.13 C ATOM 984 O VAL A 64 73.011 10.634 -0.717 1.00 1.54 O ATOM 985 CB VAL A 64 71.824 8.784 1.850 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.644 7.910 0.608 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.329 7.924 3.009 1.00 1.42 C ATOM 0 H VAL A 64 71.979 10.735 3.313 1.00 0.92 H new ATOM 0 HA VAL A 64 73.828 9.482 1.330 1.00 1.07 H new ATOM 0 HB VAL A 64 70.868 9.233 2.119 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.919 7.124 0.818 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.285 8.523 -0.219 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.599 7.460 0.338 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.605 7.137 3.221 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.285 7.475 2.739 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.458 8.546 3.895 1.00 1.42 H new ATOM 997 N ASP A 65 71.370 11.482 0.471 1.00 1.00 N ATOM 998 CA ASP A 65 70.899 12.305 -0.681 1.00 1.14 C ATOM 999 C ASP A 65 71.691 13.613 -0.753 1.00 1.45 C ATOM 1000 O ASP A 65 71.133 14.691 -0.697 1.00 1.74 O ATOM 1001 CB ASP A 65 69.425 12.586 -0.391 1.00 1.21 C ATOM 1002 CG ASP A 65 68.555 11.581 -1.147 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.104 10.826 -1.932 1.00 2.83 O ATOM 1004 OD2 ASP A 65 67.356 11.581 -0.926 1.00 2.63 O ATOM 0 H ASP A 65 70.826 11.583 1.328 1.00 1.00 H new ATOM 0 HA ASP A 65 71.036 11.797 -1.636 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.234 12.515 0.680 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.171 13.602 -0.693 1.00 1.21 H new ATOM 1043 N SER A 69 67.517 14.946 -4.033 1.00 1.42 N ATOM 1044 CA SER A 69 66.476 14.435 -4.970 1.00 1.79 C ATOM 1045 C SER A 69 65.440 13.603 -4.210 1.00 1.42 C ATOM 1046 O SER A 69 64.388 13.281 -4.726 1.00 1.97 O ATOM 1047 CB SER A 69 67.236 13.561 -5.968 1.00 2.79 C ATOM 1048 OG SER A 69 66.532 13.535 -7.202 1.00 3.72 O ATOM 0 HA SER A 69 65.934 15.242 -5.463 1.00 1.79 H new ATOM 0 HB2 SER A 69 68.242 13.952 -6.119 1.00 2.79 H new ATOM 0 HB3 SER A 69 67.342 12.550 -5.576 1.00 2.79 H new ATOM 0 HG SER A 69 66.016 12.705 -7.267 1.00 3.72 H new ATOM 1054 N GLY A 70 65.728 13.251 -2.987 1.00 1.01 N ATOM 1055 CA GLY A 70 64.760 12.441 -2.197 1.00 1.07 C ATOM 1056 C GLY A 70 64.447 11.145 -2.949 1.00 0.84 C ATOM 1057 O GLY A 70 63.325 10.681 -2.965 1.00 0.87 O ATOM 0 H GLY A 70 66.592 13.490 -2.501 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.176 12.213 -1.215 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.844 13.008 -2.032 1.00 1.07 H new ATOM 1061 N THR A 71 65.432 10.559 -3.572 1.00 0.70 N ATOM 1062 CA THR A 71 65.192 9.293 -4.323 1.00 0.55 C ATOM 1063 C THR A 71 66.442 8.412 -4.283 1.00 0.54 C ATOM 1064 O THR A 71 67.548 8.878 -4.470 1.00 0.72 O ATOM 1065 CB THR A 71 64.890 9.734 -5.756 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.602 10.930 -6.041 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.390 9.981 -5.909 1.00 0.81 C ATOM 0 H THR A 71 66.393 10.901 -3.594 1.00 0.70 H new ATOM 0 HA THR A 71 64.377 8.707 -3.898 1.00 0.55 H new ATOM 0 HB THR A 71 65.199 8.953 -6.451 1.00 0.60 H new ATOM 0 HG1 THR A 71 65.093 11.700 -5.712 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.175 10.295 -6.930 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.846 9.062 -5.690 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.077 10.762 -5.216 1.00 0.81 H new ATOM 1075 N VAL A 72 66.275 7.142 -4.036 1.00 0.52 N ATOM 1076 CA VAL A 72 67.458 6.233 -3.979 1.00 0.65 C ATOM 1077 C VAL A 72 67.496 5.299 -5.187 1.00 0.56 C ATOM 1078 O VAL A 72 66.698 5.396 -6.098 1.00 0.57 O ATOM 1079 CB VAL A 72 67.302 5.407 -2.698 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.830 6.205 -1.513 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.829 5.057 -2.465 1.00 1.23 C ATOM 0 H VAL A 72 65.374 6.694 -3.871 1.00 0.52 H new ATOM 0 HA VAL A 72 68.383 6.809 -3.986 1.00 0.65 H new ATOM 0 HB VAL A 72 67.870 4.483 -2.802 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.719 5.618 -0.601 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.884 6.436 -1.670 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.265 7.133 -1.418 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.735 4.470 -1.551 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.248 5.974 -2.369 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.455 4.477 -3.309 1.00 1.23 H new ATOM 1091 N ASP A 73 68.424 4.386 -5.178 1.00 0.64 N ATOM 1092 CA ASP A 73 68.548 3.413 -6.294 1.00 0.70 C ATOM 1093 C ASP A 73 69.105 2.100 -5.742 1.00 0.70 C ATOM 1094 O ASP A 73 69.153 1.895 -4.545 1.00 0.71 O ATOM 1095 CB ASP A 73 69.535 4.052 -7.274 1.00 0.85 C ATOM 1096 CG ASP A 73 69.343 3.444 -8.664 1.00 1.25 C ATOM 1097 OD1 ASP A 73 68.947 2.292 -8.735 1.00 1.72 O ATOM 1098 OD2 ASP A 73 69.596 4.140 -9.634 1.00 1.91 O ATOM 0 H ASP A 73 69.112 4.272 -4.433 1.00 0.64 H new ATOM 0 HA ASP A 73 67.597 3.193 -6.779 1.00 0.70 H new ATOM 0 HB2 ASP A 73 69.378 5.130 -7.313 1.00 0.85 H new ATOM 0 HB3 ASP A 73 70.558 3.890 -6.933 1.00 0.85 H new ATOM 1103 N PHE A 74 69.531 1.210 -6.590 1.00 0.81 N ATOM 1104 CA PHE A 74 70.082 -0.078 -6.083 1.00 0.87 C ATOM 1105 C PHE A 74 71.410 0.164 -5.362 1.00 0.76 C ATOM 1106 O PHE A 74 71.822 -0.610 -4.521 1.00 0.74 O ATOM 1107 CB PHE A 74 70.292 -0.937 -7.328 1.00 1.04 C ATOM 1108 CG PHE A 74 69.931 -2.368 -7.017 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.587 -2.748 -6.931 1.00 2.11 C ATOM 1110 CD2 PHE A 74 70.941 -3.315 -6.813 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.252 -4.075 -6.642 1.00 3.02 C ATOM 1112 CE2 PHE A 74 70.606 -4.644 -6.523 1.00 3.14 C ATOM 1113 CZ PHE A 74 69.262 -5.024 -6.438 1.00 3.42 C ATOM 0 H PHE A 74 69.523 1.315 -7.605 1.00 0.81 H new ATOM 0 HA PHE A 74 69.417 -0.560 -5.366 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.677 -0.565 -8.148 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.330 -0.875 -7.655 1.00 1.04 H new ATOM 0 HD1 PHE A 74 67.808 -2.016 -7.088 1.00 2.11 H new ATOM 0 HD2 PHE A 74 71.978 -3.021 -6.879 1.00 2.16 H new ATOM 0 HE1 PHE A 74 67.215 -4.368 -6.576 1.00 3.02 H new ATOM 0 HE2 PHE A 74 71.385 -5.375 -6.365 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.003 -6.049 -6.215 1.00 3.42 H new ATOM 1123 N ASP A 75 72.083 1.232 -5.685 1.00 0.79 N ATOM 1124 CA ASP A 75 73.385 1.525 -5.018 1.00 0.78 C ATOM 1125 C ASP A 75 73.155 2.234 -3.680 1.00 0.71 C ATOM 1126 O ASP A 75 73.777 1.916 -2.685 1.00 0.67 O ATOM 1127 CB ASP A 75 74.129 2.443 -5.990 1.00 0.96 C ATOM 1128 CG ASP A 75 74.675 1.618 -7.157 1.00 1.50 C ATOM 1129 OD1 ASP A 75 73.996 0.696 -7.574 1.00 1.99 O ATOM 1130 OD2 ASP A 75 75.766 1.923 -7.612 1.00 2.18 O ATOM 0 H ASP A 75 71.789 1.916 -6.382 1.00 0.79 H new ATOM 0 HA ASP A 75 73.947 0.617 -4.799 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.458 3.217 -6.361 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.946 2.949 -5.475 1.00 0.96 H new ATOM 1135 N GLU A 76 72.271 3.195 -3.645 1.00 0.74 N ATOM 1136 CA GLU A 76 72.013 3.921 -2.369 1.00 0.72 C ATOM 1137 C GLU A 76 71.163 3.065 -1.426 1.00 0.61 C ATOM 1138 O GLU A 76 71.469 2.925 -0.259 1.00 0.60 O ATOM 1139 CB GLU A 76 71.255 5.185 -2.778 1.00 0.82 C ATOM 1140 CG GLU A 76 72.041 5.922 -3.864 1.00 0.96 C ATOM 1141 CD GLU A 76 73.224 6.656 -3.229 1.00 1.36 C ATOM 1142 OE1 GLU A 76 73.009 7.728 -2.687 1.00 2.01 O ATOM 1143 OE2 GLU A 76 74.324 6.133 -3.295 1.00 2.14 O ATOM 0 H GLU A 76 71.718 3.508 -4.443 1.00 0.74 H new ATOM 0 HA GLU A 76 72.935 4.152 -1.836 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.263 4.924 -3.146 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.114 5.833 -1.913 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.398 5.215 -4.613 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.393 6.631 -4.379 1.00 0.96 H new ATOM 1150 N PHE A 77 70.098 2.492 -1.918 1.00 0.60 N ATOM 1151 CA PHE A 77 69.238 1.650 -1.037 1.00 0.54 C ATOM 1152 C PHE A 77 70.066 0.528 -0.404 1.00 0.48 C ATOM 1153 O PHE A 77 70.083 0.359 0.799 1.00 0.55 O ATOM 1154 CB PHE A 77 68.167 1.071 -1.961 1.00 0.61 C ATOM 1155 CG PHE A 77 67.301 0.105 -1.188 1.00 0.67 C ATOM 1156 CD1 PHE A 77 67.115 0.280 0.189 1.00 1.30 C ATOM 1157 CD2 PHE A 77 66.685 -0.964 -1.847 1.00 1.52 C ATOM 1158 CE1 PHE A 77 66.313 -0.616 0.906 1.00 1.38 C ATOM 1159 CE2 PHE A 77 65.882 -1.860 -1.130 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.696 -1.686 0.247 1.00 1.25 C ATOM 0 H PHE A 77 69.787 2.570 -2.886 1.00 0.60 H new ATOM 0 HA PHE A 77 68.802 2.223 -0.218 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.556 1.873 -2.374 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.635 0.562 -2.803 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.590 1.106 0.698 1.00 1.30 H new ATOM 0 HD2 PHE A 77 66.829 -1.099 -2.909 1.00 1.52 H new ATOM 0 HE1 PHE A 77 66.170 -0.482 1.968 1.00 1.38 H new ATOM 0 HE2 PHE A 77 65.406 -2.685 -1.639 1.00 1.78 H new ATOM 0 HZ PHE A 77 65.077 -2.377 0.800 1.00 1.25 H new ATOM 1170 N LEU A 78 70.753 -0.240 -1.204 1.00 0.46 N ATOM 1171 CA LEU A 78 71.578 -1.351 -0.647 1.00 0.49 C ATOM 1172 C LEU A 78 72.387 -0.861 0.559 1.00 0.48 C ATOM 1173 O LEU A 78 72.358 -1.455 1.619 1.00 0.54 O ATOM 1174 CB LEU A 78 72.514 -1.757 -1.786 1.00 0.56 C ATOM 1175 CG LEU A 78 71.851 -2.847 -2.630 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.701 -3.117 -3.873 1.00 1.70 C ATOM 1177 CD2 LEU A 78 71.736 -4.131 -1.803 1.00 0.70 C ATOM 0 H LEU A 78 70.779 -0.147 -2.219 1.00 0.46 H new ATOM 0 HA LEU A 78 70.966 -2.184 -0.301 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.744 -0.891 -2.407 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.459 -2.120 -1.382 1.00 0.56 H new ATOM 0 HG LEU A 78 70.857 -2.518 -2.934 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.229 -3.894 -4.475 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.786 -2.203 -4.461 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.695 -3.447 -3.570 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.264 -4.909 -2.403 1.00 0.70 H new ATOM 0 HD22 LEU A 78 72.730 -4.459 -1.501 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.132 -3.940 -0.916 1.00 0.70 H new ATOM 1189 N VAL A 79 73.111 0.212 0.404 1.00 0.46 N ATOM 1190 CA VAL A 79 73.926 0.736 1.539 1.00 0.51 C ATOM 1191 C VAL A 79 73.028 1.075 2.734 1.00 0.53 C ATOM 1192 O VAL A 79 73.280 0.663 3.848 1.00 0.64 O ATOM 1193 CB VAL A 79 74.591 2.001 0.997 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.395 2.670 2.112 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.527 1.631 -0.155 1.00 0.62 C ATOM 0 H VAL A 79 73.175 0.750 -0.460 1.00 0.46 H new ATOM 0 HA VAL A 79 74.655 0.006 1.890 1.00 0.51 H new ATOM 0 HB VAL A 79 73.826 2.689 0.637 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.870 3.572 1.727 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.729 2.933 2.934 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.160 1.982 2.472 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.002 2.533 -0.542 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.293 0.944 0.205 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.954 1.153 -0.950 1.00 0.62 H new ATOM 1205 N MET A 80 71.985 1.827 2.510 1.00 0.52 N ATOM 1206 CA MET A 80 71.076 2.195 3.634 1.00 0.60 C ATOM 1207 C MET A 80 70.567 0.939 4.346 1.00 0.62 C ATOM 1208 O MET A 80 70.071 1.000 5.453 1.00 0.71 O ATOM 1209 CB MET A 80 69.918 2.945 2.977 1.00 0.66 C ATOM 1210 CG MET A 80 70.313 4.408 2.764 1.00 1.11 C ATOM 1211 SD MET A 80 69.785 4.942 1.117 1.00 1.23 S ATOM 1212 CE MET A 80 68.125 5.494 1.578 1.00 0.86 C ATOM 0 H MET A 80 71.723 2.202 1.599 1.00 0.52 H new ATOM 0 HA MET A 80 71.581 2.800 4.388 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.666 2.483 2.023 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.029 2.885 3.605 1.00 0.66 H new ATOM 0 HG2 MET A 80 69.851 5.035 3.527 1.00 1.11 H new ATOM 0 HG3 MET A 80 71.392 4.523 2.867 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.383 4.853 1.102 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.011 5.439 2.661 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.979 6.523 1.249 1.00 0.86 H new ATOM 1222 N MET A 81 70.683 -0.200 3.719 1.00 0.61 N ATOM 1223 CA MET A 81 70.204 -1.456 4.361 1.00 0.72 C ATOM 1224 C MET A 81 71.225 -1.956 5.389 1.00 0.79 C ATOM 1225 O MET A 81 70.946 -2.030 6.568 1.00 0.91 O ATOM 1226 CB MET A 81 70.062 -2.456 3.214 1.00 0.75 C ATOM 1227 CG MET A 81 68.587 -2.820 3.033 1.00 1.01 C ATOM 1228 SD MET A 81 68.078 -3.946 4.356 1.00 1.71 S ATOM 1229 CE MET A 81 68.597 -5.484 3.556 1.00 1.66 C ATOM 0 H MET A 81 71.089 -0.314 2.790 1.00 0.61 H new ATOM 0 HA MET A 81 69.266 -1.312 4.897 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.457 -2.028 2.293 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.645 -3.352 3.425 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.974 -1.919 3.052 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.434 -3.290 2.062 1.00 1.01 H new ATOM 0 HE1 MET A 81 69.125 -6.108 4.276 1.00 1.66 H new ATOM 0 HE2 MET A 81 67.720 -6.017 3.188 1.00 1.66 H new ATOM 0 HE3 MET A 81 69.259 -5.254 2.721 1.00 1.66 H new ATOM 1239 N VAL A 82 72.404 -2.303 4.948 1.00 0.78 N ATOM 1240 CA VAL A 82 73.439 -2.801 5.900 1.00 0.90 C ATOM 1241 C VAL A 82 73.602 -1.829 7.072 1.00 0.94 C ATOM 1242 O VAL A 82 74.085 -2.191 8.127 1.00 1.13 O ATOM 1243 CB VAL A 82 74.729 -2.872 5.080 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.580 -3.933 3.987 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.998 -1.510 4.436 1.00 1.38 C ATOM 0 H VAL A 82 72.695 -2.263 3.971 1.00 0.78 H new ATOM 0 HA VAL A 82 73.171 -3.767 6.328 1.00 0.90 H new ATOM 0 HB VAL A 82 75.561 -3.137 5.732 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.498 -3.984 3.402 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.387 -4.903 4.445 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.748 -3.668 3.334 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.917 -1.559 3.851 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.166 -1.246 3.783 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.103 -0.754 5.214 1.00 1.38 H new ATOM 1255 N ARG A 83 73.206 -0.599 6.896 1.00 0.84 N ATOM 1256 CA ARG A 83 73.342 0.392 8.004 1.00 0.93 C ATOM 1257 C ARG A 83 72.520 -0.055 9.216 1.00 0.93 C ATOM 1258 O ARG A 83 72.972 0.007 10.342 1.00 1.23 O ATOM 1259 CB ARG A 83 72.793 1.701 7.436 1.00 0.95 C ATOM 1260 CG ARG A 83 73.627 2.874 7.956 1.00 1.53 C ATOM 1261 CD ARG A 83 72.909 4.188 7.645 1.00 1.50 C ATOM 1262 NE ARG A 83 73.959 5.237 7.771 1.00 1.75 N ATOM 1263 CZ ARG A 83 74.486 5.766 6.700 1.00 2.02 C ATOM 1264 NH1 ARG A 83 73.771 6.555 5.945 1.00 2.58 N ATOM 1265 NH2 ARG A 83 75.725 5.505 6.386 1.00 2.44 N ATOM 0 H ARG A 83 72.795 -0.236 6.036 1.00 0.84 H new ATOM 0 HA ARG A 83 74.373 0.496 8.341 1.00 0.93 H new ATOM 0 HB2 ARG A 83 72.820 1.677 6.347 1.00 0.95 H new ATOM 0 HB3 ARG A 83 71.750 1.826 7.726 1.00 0.95 H new ATOM 0 HG2 ARG A 83 73.780 2.777 9.031 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.613 2.867 7.491 1.00 1.53 H new ATOM 0 HD2 ARG A 83 72.480 4.176 6.643 1.00 1.50 H new ATOM 0 HD3 ARG A 83 72.089 4.364 8.341 1.00 1.50 H new ATOM 0 HE ARG A 83 74.266 5.542 8.694 1.00 1.75 H new ATOM 0 HH11 ARG A 83 72.802 6.757 6.192 1.00 2.58 H new ATOM 0 HH12 ARG A 83 74.181 6.969 5.108 1.00 2.58 H new ATOM 0 HH21 ARG A 83 76.282 4.888 6.977 1.00 2.44 H new ATOM 0 HH22 ARG A 83 76.137 5.918 5.549 1.00 2.44 H new ATOM 1279 N CYS A 84 71.316 -0.504 8.994 1.00 0.81 N ATOM 1280 CA CYS A 84 70.466 -0.955 10.133 1.00 0.94 C ATOM 1281 C CYS A 84 70.602 -2.467 10.326 1.00 1.01 C ATOM 1282 O CYS A 84 71.363 -2.931 11.152 1.00 1.67 O ATOM 1283 CB CYS A 84 69.037 -0.594 9.728 1.00 1.20 C ATOM 1284 SG CYS A 84 68.560 0.962 10.523 1.00 1.56 S ATOM 0 H CYS A 84 70.883 -0.578 8.073 1.00 0.81 H new ATOM 0 HA CYS A 84 70.754 -0.486 11.074 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.968 -0.497 8.644 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.352 -1.390 10.021 1.00 1.20 H new ATOM 0 HG CYS A 84 67.346 1.271 10.177 1.00 1.56 H new ATOM 1290 N MET A 85 69.873 -3.239 9.569 1.00 1.25 N ATOM 1291 CA MET A 85 69.960 -4.720 9.709 1.00 1.43 C ATOM 1292 C MET A 85 69.700 -5.129 11.161 1.00 1.78 C ATOM 1293 O MET A 85 70.416 -5.929 11.728 1.00 2.66 O ATOM 1294 CB MET A 85 71.391 -5.071 9.299 1.00 1.49 C ATOM 1295 CG MET A 85 71.388 -5.653 7.885 1.00 1.71 C ATOM 1296 SD MET A 85 70.886 -7.392 7.949 1.00 1.93 S ATOM 1297 CE MET A 85 70.710 -7.643 6.166 1.00 1.59 C ATOM 0 H MET A 85 69.220 -2.908 8.859 1.00 1.25 H new ATOM 0 HA MET A 85 69.222 -5.239 9.097 1.00 1.43 H new ATOM 0 HB2 MET A 85 72.020 -4.181 9.336 1.00 1.49 H new ATOM 0 HB3 MET A 85 71.815 -5.791 9.999 1.00 1.49 H new ATOM 0 HG2 MET A 85 70.705 -5.089 7.250 1.00 1.71 H new ATOM 0 HG3 MET A 85 72.380 -5.566 7.442 1.00 1.71 H new ATOM 0 HE1 MET A 85 69.689 -7.951 5.941 1.00 1.59 H new ATOM 0 HE2 MET A 85 70.932 -6.712 5.644 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.403 -8.417 5.837 1.00 1.59 H new