USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 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 38 LYS NZ :NH3+ 170:sc= 0.0108 (180deg=0) USER MOD Set 1.2: A 51 THR OG1 : rot 130:sc= -2.53 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.04 USER MOD Single : A 12 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.2) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -61:sc= -2.11 USER MOD Single : A 31 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.0318 (180deg=-0.965) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0599) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 0.0255 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.057) USER MOD Single : A 88 TYR OH : rot 172:sc= 0.00227 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.972 13.049 -3.024 1.00 0.21 N ATOM 33 CA VAL A 3 77.944 11.979 -2.927 1.00 0.18 C ATOM 34 C VAL A 3 76.897 12.169 -4.036 1.00 0.15 C ATOM 35 O VAL A 3 76.467 13.277 -4.304 1.00 0.19 O ATOM 36 CB VAL A 3 77.355 12.134 -1.502 1.00 0.22 C ATOM 37 CG1 VAL A 3 76.324 13.274 -1.417 1.00 0.23 C ATOM 38 CG2 VAL A 3 76.689 10.824 -1.081 1.00 0.21 C ATOM 0 HA VAL A 3 78.339 10.973 -3.069 1.00 0.18 H new ATOM 0 HB VAL A 3 78.179 12.380 -0.833 1.00 0.22 H new ATOM 0 HG11 VAL A 3 75.940 13.342 -0.399 1.00 0.23 H new ATOM 0 HG12 VAL A 3 76.800 14.216 -1.690 1.00 0.23 H new ATOM 0 HG13 VAL A 3 75.501 13.072 -2.102 1.00 0.23 H new ATOM 0 HG21 VAL A 3 76.274 10.932 -0.079 1.00 0.21 H new ATOM 0 HG22 VAL A 3 75.889 10.581 -1.780 1.00 0.21 H new ATOM 0 HG23 VAL A 3 77.428 10.023 -1.083 1.00 0.21 H new ATOM 48 N LEU A 4 76.495 11.104 -4.668 1.00 0.11 N ATOM 49 CA LEU A 4 75.477 11.214 -5.758 1.00 0.12 C ATOM 50 C LEU A 4 74.053 11.160 -5.174 1.00 0.12 C ATOM 51 O LEU A 4 73.106 11.596 -5.802 1.00 0.12 O ATOM 52 CB LEU A 4 75.738 10.012 -6.684 1.00 0.13 C ATOM 53 CG LEU A 4 77.222 9.938 -7.109 1.00 0.14 C ATOM 54 CD1 LEU A 4 77.395 8.818 -8.136 1.00 0.15 C ATOM 55 CD2 LEU A 4 77.680 11.271 -7.725 1.00 0.16 C ATOM 0 H LEU A 4 76.826 10.158 -4.479 1.00 0.11 H new ATOM 0 HA LEU A 4 75.556 12.159 -6.296 1.00 0.12 H new ATOM 0 HB2 LEU A 4 75.458 9.090 -6.174 1.00 0.13 H new ATOM 0 HB3 LEU A 4 75.108 10.090 -7.570 1.00 0.13 H new ATOM 0 HG LEU A 4 77.830 9.736 -6.227 1.00 0.14 H new ATOM 0 HD11 LEU A 4 78.440 8.761 -8.440 1.00 0.15 H new ATOM 0 HD12 LEU A 4 77.093 7.869 -7.693 1.00 0.15 H new ATOM 0 HD13 LEU A 4 76.775 9.025 -9.008 1.00 0.15 H new ATOM 0 HD21 LEU A 4 78.728 11.196 -8.017 1.00 0.16 H new ATOM 0 HD22 LEU A 4 77.074 11.493 -8.603 1.00 0.16 H new ATOM 0 HD23 LEU A 4 77.564 12.069 -6.992 1.00 0.16 H new ATOM 67 N ALA A 5 73.906 10.679 -3.958 1.00 0.10 N ATOM 68 CA ALA A 5 72.563 10.654 -3.300 1.00 0.11 C ATOM 69 C ALA A 5 72.730 10.239 -1.838 1.00 0.10 C ATOM 70 O ALA A 5 73.696 9.590 -1.483 1.00 0.10 O ATOM 71 CB ALA A 5 71.744 9.611 -4.068 1.00 0.11 C ATOM 0 H ALA A 5 74.666 10.301 -3.393 1.00 0.10 H new ATOM 0 HA ALA A 5 72.071 11.627 -3.316 1.00 0.11 H new ATOM 0 HB1 ALA A 5 70.746 9.542 -3.636 1.00 0.11 H new ATOM 0 HB2 ALA A 5 71.667 9.907 -5.114 1.00 0.11 H new ATOM 0 HB3 ALA A 5 72.236 8.641 -4.001 1.00 0.11 H new ATOM 77 N LYS A 6 71.835 10.664 -0.982 1.00 0.10 N ATOM 78 CA LYS A 6 71.979 10.361 0.475 1.00 0.09 C ATOM 79 C LYS A 6 70.644 9.871 1.044 1.00 0.08 C ATOM 80 O LYS A 6 69.631 10.536 0.916 1.00 0.09 O ATOM 81 CB LYS A 6 72.373 11.700 1.100 1.00 0.14 C ATOM 82 CG LYS A 6 72.725 11.500 2.573 1.00 0.15 C ATOM 83 CD LYS A 6 73.151 12.838 3.177 1.00 0.40 C ATOM 84 CE LYS A 6 74.046 12.584 4.390 1.00 0.87 C ATOM 85 NZ LYS A 6 74.022 13.858 5.161 1.00 0.88 N ATOM 0 H LYS A 6 71.009 11.209 -1.230 1.00 0.10 H new ATOM 0 HA LYS A 6 72.711 9.579 0.675 1.00 0.09 H new ATOM 0 HB2 LYS A 6 73.224 12.124 0.567 1.00 0.14 H new ATOM 0 HB3 LYS A 6 71.552 12.411 1.006 1.00 0.14 H new ATOM 0 HG2 LYS A 6 71.866 11.101 3.113 1.00 0.15 H new ATOM 0 HG3 LYS A 6 73.530 10.771 2.671 1.00 0.15 H new ATOM 0 HD2 LYS A 6 73.685 13.431 2.435 1.00 0.40 H new ATOM 0 HD3 LYS A 6 72.273 13.412 3.473 1.00 0.40 H new ATOM 0 HE2 LYS A 6 73.673 11.753 4.989 1.00 0.87 H new ATOM 0 HE3 LYS A 6 75.060 12.326 4.085 1.00 0.87 H new ATOM 0 HZ1 LYS A 6 74.615 13.761 6.010 1.00 0.88 H new ATOM 0 HZ2 LYS A 6 74.389 14.630 4.568 1.00 0.88 H new ATOM 0 HZ3 LYS A 6 73.045 14.074 5.444 1.00 0.88 H new ATOM 99 N PHE A 7 70.633 8.713 1.665 1.00 0.07 N ATOM 100 CA PHE A 7 69.356 8.178 2.233 1.00 0.07 C ATOM 101 C PHE A 7 69.633 7.288 3.452 1.00 0.07 C ATOM 102 O PHE A 7 70.751 6.877 3.684 1.00 0.07 O ATOM 103 CB PHE A 7 68.712 7.390 1.083 1.00 0.08 C ATOM 104 CG PHE A 7 69.577 6.214 0.678 1.00 0.07 C ATOM 105 CD1 PHE A 7 70.806 6.434 -0.031 1.00 0.08 C ATOM 106 CD2 PHE A 7 69.163 4.879 0.997 1.00 0.07 C ATOM 107 CE1 PHE A 7 71.620 5.317 -0.418 1.00 0.08 C ATOM 108 CE2 PHE A 7 69.978 3.762 0.609 1.00 0.07 C ATOM 109 CZ PHE A 7 71.205 3.980 -0.098 1.00 0.07 C ATOM 0 H PHE A 7 71.451 8.119 1.802 1.00 0.07 H new ATOM 0 HA PHE A 7 68.696 8.968 2.592 1.00 0.07 H new ATOM 0 HB2 PHE A 7 67.728 7.034 1.388 1.00 0.08 H new ATOM 0 HB3 PHE A 7 68.562 8.047 0.227 1.00 0.08 H new ATOM 0 HD1 PHE A 7 71.118 7.439 -0.273 1.00 0.08 H new ATOM 0 HD2 PHE A 7 68.238 4.713 1.529 1.00 0.07 H new ATOM 0 HE1 PHE A 7 72.545 5.482 -0.950 1.00 0.08 H new ATOM 0 HE2 PHE A 7 69.666 2.757 0.850 1.00 0.07 H new ATOM 0 HZ PHE A 7 71.817 3.140 -0.390 1.00 0.07 H new ATOM 119 N HIS A 8 68.628 7.043 4.257 1.00 0.08 N ATOM 120 CA HIS A 8 68.829 6.238 5.502 1.00 0.08 C ATOM 121 C HIS A 8 68.078 4.906 5.399 1.00 0.07 C ATOM 122 O HIS A 8 66.948 4.853 4.951 1.00 0.08 O ATOM 123 CB HIS A 8 68.239 7.094 6.624 1.00 0.09 C ATOM 124 CG HIS A 8 69.023 8.372 6.747 1.00 0.11 C ATOM 125 ND1 HIS A 8 68.682 9.517 6.045 1.00 1.08 N ATOM 126 CD2 HIS A 8 70.130 8.702 7.488 1.00 1.04 C ATOM 127 CE1 HIS A 8 69.569 10.474 6.375 1.00 0.74 C ATOM 128 NE2 HIS A 8 70.474 10.030 7.252 1.00 0.56 N ATOM 0 H HIS A 8 67.673 7.367 4.104 1.00 0.08 H new ATOM 0 HA HIS A 8 69.879 6.000 5.674 1.00 0.08 H new ATOM 0 HB2 HIS A 8 67.193 7.316 6.414 1.00 0.09 H new ATOM 0 HB3 HIS A 8 68.266 6.546 7.566 1.00 0.09 H new ATOM 0 HD2 HIS A 8 70.655 8.033 8.154 1.00 1.04 H new ATOM 0 HE1 HIS A 8 69.551 11.479 5.979 1.00 0.74 H new ATOM 0 HE2 HIS A 8 71.250 10.552 7.660 1.00 0.56 H new ATOM 136 N THR A 9 68.689 3.842 5.853 1.00 0.08 N ATOM 137 CA THR A 9 68.015 2.508 5.840 1.00 0.08 C ATOM 138 C THR A 9 68.545 1.651 7.001 1.00 0.08 C ATOM 139 O THR A 9 69.613 1.915 7.519 1.00 0.08 O ATOM 140 CB THR A 9 68.354 1.895 4.464 1.00 0.08 C ATOM 141 OG1 THR A 9 67.588 0.713 4.276 1.00 0.09 O ATOM 142 CG2 THR A 9 69.847 1.556 4.364 1.00 0.08 C ATOM 0 H THR A 9 69.635 3.840 6.236 1.00 0.08 H new ATOM 0 HA THR A 9 66.935 2.574 5.975 1.00 0.08 H new ATOM 0 HB THR A 9 68.115 2.626 3.691 1.00 0.08 H new ATOM 0 HG1 THR A 9 67.799 0.322 3.403 1.00 0.09 H new ATOM 0 HG21 THR A 9 70.058 1.126 3.385 1.00 0.08 H new ATOM 0 HG22 THR A 9 70.436 2.464 4.496 1.00 0.08 H new ATOM 0 HG23 THR A 9 70.110 0.837 5.140 1.00 0.08 H new ATOM 150 N THR A 10 67.842 0.605 7.372 1.00 0.08 N ATOM 151 CA THR A 10 68.357 -0.290 8.455 1.00 0.09 C ATOM 152 C THR A 10 68.771 -1.647 7.865 1.00 0.08 C ATOM 153 O THR A 10 68.360 -2.007 6.776 1.00 0.08 O ATOM 154 CB THR A 10 67.209 -0.413 9.493 1.00 0.09 C ATOM 155 OG1 THR A 10 67.732 -0.913 10.712 1.00 0.10 O ATOM 156 CG2 THR A 10 66.100 -1.359 9.019 1.00 0.10 C ATOM 0 H THR A 10 66.942 0.336 6.975 1.00 0.08 H new ATOM 0 HA THR A 10 69.250 0.109 8.936 1.00 0.09 H new ATOM 0 HB THR A 10 66.780 0.580 9.624 1.00 0.09 H new ATOM 0 HG1 THR A 10 68.662 -1.193 10.579 1.00 0.10 H new ATOM 0 HG21 THR A 10 65.319 -1.413 9.778 1.00 0.10 H new ATOM 0 HG22 THR A 10 65.676 -0.984 8.088 1.00 0.10 H new ATOM 0 HG23 THR A 10 66.516 -2.353 8.854 1.00 0.10 H new ATOM 164 N VAL A 11 69.624 -2.360 8.551 1.00 0.08 N ATOM 165 CA VAL A 11 70.129 -3.660 8.009 1.00 0.08 C ATOM 166 C VAL A 11 69.090 -4.760 8.225 1.00 0.09 C ATOM 167 O VAL A 11 68.585 -4.945 9.314 1.00 0.11 O ATOM 168 CB VAL A 11 71.412 -3.965 8.796 1.00 0.09 C ATOM 169 CG1 VAL A 11 72.034 -5.274 8.284 1.00 0.10 C ATOM 170 CG2 VAL A 11 72.419 -2.817 8.615 1.00 0.10 C ATOM 0 H VAL A 11 69.995 -2.100 9.465 1.00 0.08 H new ATOM 0 HA VAL A 11 70.321 -3.608 6.937 1.00 0.08 H new ATOM 0 HB VAL A 11 71.166 -4.068 9.853 1.00 0.09 H new ATOM 0 HG11 VAL A 11 72.944 -5.488 8.844 1.00 0.10 H new ATOM 0 HG12 VAL A 11 71.325 -6.091 8.418 1.00 0.10 H new ATOM 0 HG13 VAL A 11 72.275 -5.173 7.226 1.00 0.10 H new ATOM 0 HG21 VAL A 11 73.327 -3.038 9.175 1.00 0.10 H new ATOM 0 HG22 VAL A 11 72.662 -2.709 7.558 1.00 0.10 H new ATOM 0 HG23 VAL A 11 71.982 -1.889 8.983 1.00 0.10 H new ATOM 180 N HIS A 12 68.857 -5.551 7.213 1.00 0.08 N ATOM 181 CA HIS A 12 67.958 -6.734 7.355 1.00 0.10 C ATOM 182 C HIS A 12 68.767 -8.015 7.198 1.00 0.11 C ATOM 183 O HIS A 12 69.953 -7.983 6.930 1.00 0.09 O ATOM 184 CB HIS A 12 66.917 -6.621 6.242 1.00 0.11 C ATOM 185 CG HIS A 12 65.784 -5.752 6.710 1.00 0.12 C ATOM 186 ND1 HIS A 12 65.966 -4.418 7.040 1.00 0.11 N ATOM 187 CD2 HIS A 12 64.453 -6.013 6.916 1.00 0.13 C ATOM 188 CE1 HIS A 12 64.773 -3.931 7.426 1.00 0.13 C ATOM 189 NE2 HIS A 12 63.816 -4.861 7.369 1.00 0.14 N ATOM 0 H HIS A 12 69.256 -5.427 6.282 1.00 0.08 H new ATOM 0 HA HIS A 12 67.480 -6.761 8.334 1.00 0.10 H new ATOM 0 HB2 HIS A 12 67.370 -6.197 5.346 1.00 0.11 H new ATOM 0 HB3 HIS A 12 66.545 -7.610 5.974 1.00 0.11 H new ATOM 0 HD2 HIS A 12 63.973 -6.966 6.752 1.00 0.13 H new ATOM 0 HE1 HIS A 12 64.609 -2.912 7.743 1.00 0.13 H new ATOM 0 HE2 HIS A 12 62.830 -4.751 7.606 1.00 0.14 H new ATOM 197 N ARG A 13 68.154 -9.142 7.457 1.00 0.13 N ATOM 198 CA ARG A 13 68.889 -10.456 7.427 1.00 0.14 C ATOM 199 C ARG A 13 69.774 -10.594 6.173 1.00 0.13 C ATOM 200 O ARG A 13 69.560 -9.938 5.173 1.00 0.12 O ATOM 201 CB ARG A 13 67.780 -11.506 7.400 1.00 0.17 C ATOM 202 CG ARG A 13 67.067 -11.535 8.754 1.00 0.67 C ATOM 203 CD ARG A 13 66.032 -12.662 8.764 1.00 0.92 C ATOM 204 NE ARG A 13 65.254 -12.471 10.031 1.00 1.61 N ATOM 205 CZ ARG A 13 64.564 -13.456 10.580 1.00 2.02 C ATOM 206 NH1 ARG A 13 64.517 -14.657 10.044 1.00 2.70 N ATOM 207 NH2 ARG A 13 63.908 -13.229 11.685 1.00 2.11 N ATOM 0 H ARG A 13 67.164 -9.215 7.691 1.00 0.13 H new ATOM 0 HA ARG A 13 69.561 -10.556 8.279 1.00 0.14 H new ATOM 0 HB2 ARG A 13 67.068 -11.277 6.607 1.00 0.17 H new ATOM 0 HB3 ARG A 13 68.200 -12.487 7.178 1.00 0.17 H new ATOM 0 HG2 ARG A 13 67.791 -11.685 9.555 1.00 0.67 H new ATOM 0 HG3 ARG A 13 66.580 -10.578 8.940 1.00 0.67 H new ATOM 0 HD2 ARG A 13 65.382 -12.607 7.891 1.00 0.92 H new ATOM 0 HD3 ARG A 13 66.514 -13.639 8.742 1.00 0.92 H new ATOM 0 HE ARG A 13 65.257 -11.556 10.482 1.00 1.61 H new ATOM 0 HH11 ARG A 13 65.023 -14.850 9.179 1.00 2.70 H new ATOM 0 HH12 ARG A 13 63.975 -15.395 10.493 1.00 2.70 H new ATOM 0 HH21 ARG A 13 63.933 -12.303 12.112 1.00 2.11 H new ATOM 0 HH22 ARG A 13 63.370 -13.978 12.122 1.00 2.11 H new ATOM 221 N ILE A 14 70.835 -11.364 6.276 1.00 0.14 N ATOM 222 CA ILE A 14 71.848 -11.499 5.161 1.00 0.13 C ATOM 223 C ILE A 14 72.555 -10.166 4.840 1.00 0.10 C ATOM 224 O ILE A 14 73.308 -10.095 3.884 1.00 0.10 O ATOM 225 CB ILE A 14 71.084 -11.997 3.918 1.00 0.15 C ATOM 226 CG1 ILE A 14 70.296 -13.267 4.251 1.00 0.19 C ATOM 227 CG2 ILE A 14 72.084 -12.313 2.806 1.00 0.15 C ATOM 228 CD1 ILE A 14 69.322 -13.567 3.110 1.00 0.21 C ATOM 0 H ILE A 14 71.051 -11.920 7.104 1.00 0.14 H new ATOM 0 HA ILE A 14 72.629 -12.195 5.467 1.00 0.13 H new ATOM 0 HB ILE A 14 70.392 -11.220 3.595 1.00 0.15 H new ATOM 0 HG12 ILE A 14 70.978 -14.106 4.394 1.00 0.19 H new ATOM 0 HG13 ILE A 14 69.751 -13.137 5.186 1.00 0.19 H new ATOM 0 HG21 ILE A 14 71.549 -12.666 1.925 1.00 0.15 H new ATOM 0 HG22 ILE A 14 72.644 -11.413 2.554 1.00 0.15 H new ATOM 0 HG23 ILE A 14 72.773 -13.086 3.145 1.00 0.15 H new ATOM 0 HD11 ILE A 14 68.758 -14.470 3.341 1.00 0.21 H new ATOM 0 HD12 ILE A 14 68.634 -12.730 2.990 1.00 0.21 H new ATOM 0 HD13 ILE A 14 69.879 -13.714 2.185 1.00 0.21 H new ATOM 240 N GLY A 15 72.347 -9.120 5.615 1.00 0.08 N ATOM 241 CA GLY A 15 73.038 -7.822 5.332 1.00 0.06 C ATOM 242 C GLY A 15 72.351 -7.093 4.166 1.00 0.06 C ATOM 243 O GLY A 15 72.940 -6.219 3.552 1.00 0.07 O ATOM 0 H GLY A 15 71.730 -9.113 6.427 1.00 0.08 H new ATOM 0 HA2 GLY A 15 73.023 -7.193 6.222 1.00 0.06 H new ATOM 0 HA3 GLY A 15 74.085 -8.005 5.089 1.00 0.06 H new ATOM 247 N ARG A 16 71.144 -7.483 3.812 1.00 0.07 N ATOM 248 CA ARG A 16 70.459 -6.854 2.641 1.00 0.09 C ATOM 249 C ARG A 16 69.731 -5.577 3.072 1.00 0.08 C ATOM 250 O ARG A 16 69.090 -5.543 4.105 1.00 0.07 O ATOM 251 CB ARG A 16 69.464 -7.913 2.155 1.00 0.13 C ATOM 252 CG ARG A 16 68.714 -7.401 0.923 1.00 0.17 C ATOM 253 CD ARG A 16 67.850 -8.527 0.352 1.00 0.26 C ATOM 254 NE ARG A 16 66.818 -8.793 1.404 1.00 1.24 N ATOM 255 CZ ARG A 16 65.761 -8.014 1.557 1.00 1.65 C ATOM 256 NH1 ARG A 16 65.613 -6.986 0.766 1.00 2.33 N ATOM 257 NH2 ARG A 16 64.856 -8.241 2.484 1.00 1.78 N ATOM 0 H ARG A 16 70.608 -8.210 4.286 1.00 0.07 H new ATOM 0 HA ARG A 16 71.158 -6.562 1.857 1.00 0.09 H new ATOM 0 HB2 ARG A 16 69.992 -8.835 1.912 1.00 0.13 H new ATOM 0 HB3 ARG A 16 68.756 -8.150 2.949 1.00 0.13 H new ATOM 0 HG2 ARG A 16 68.090 -6.549 1.191 1.00 0.17 H new ATOM 0 HG3 ARG A 16 69.422 -7.053 0.171 1.00 0.17 H new ATOM 0 HD2 ARG A 16 67.387 -8.231 -0.589 1.00 0.26 H new ATOM 0 HD3 ARG A 16 68.445 -9.417 0.149 1.00 0.26 H new ATOM 0 HE ARG A 16 66.934 -9.598 2.020 1.00 1.24 H new ATOM 0 HH11 ARG A 16 66.307 -6.794 0.044 1.00 2.33 H new ATOM 0 HH12 ARG A 16 64.803 -6.375 0.870 1.00 2.33 H new ATOM 0 HH21 ARG A 16 64.958 -9.038 3.112 1.00 1.78 H new ATOM 0 HH22 ARG A 16 64.052 -7.620 2.575 1.00 1.78 H new ATOM 271 N ILE A 17 69.733 -4.572 2.230 1.00 0.08 N ATOM 272 CA ILE A 17 68.925 -3.343 2.510 1.00 0.07 C ATOM 273 C ILE A 17 68.144 -2.943 1.252 1.00 0.07 C ATOM 274 O ILE A 17 68.547 -3.260 0.149 1.00 0.08 O ATOM 275 CB ILE A 17 69.937 -2.255 2.910 1.00 0.08 C ATOM 276 CG1 ILE A 17 70.915 -1.984 1.754 1.00 0.09 C ATOM 277 CG2 ILE A 17 70.725 -2.715 4.139 1.00 0.08 C ATOM 278 CD1 ILE A 17 71.711 -0.697 2.024 1.00 0.09 C ATOM 0 H ILE A 17 70.261 -4.550 1.358 1.00 0.08 H new ATOM 0 HA ILE A 17 68.194 -3.499 3.304 1.00 0.07 H new ATOM 0 HB ILE A 17 69.394 -1.338 3.140 1.00 0.08 H new ATOM 0 HG12 ILE A 17 71.598 -2.826 1.641 1.00 0.09 H new ATOM 0 HG13 ILE A 17 70.366 -1.891 0.817 1.00 0.09 H new ATOM 0 HG21 ILE A 17 71.442 -1.944 4.421 1.00 0.08 H new ATOM 0 HG22 ILE A 17 70.038 -2.892 4.966 1.00 0.08 H new ATOM 0 HG23 ILE A 17 71.258 -3.637 3.906 1.00 0.08 H new ATOM 0 HD11 ILE A 17 72.400 -0.515 1.199 1.00 0.09 H new ATOM 0 HD12 ILE A 17 71.023 0.144 2.114 1.00 0.09 H new ATOM 0 HD13 ILE A 17 72.275 -0.806 2.950 1.00 0.09 H new ATOM 290 N ILE A 18 67.076 -2.199 1.406 1.00 0.07 N ATOM 291 CA ILE A 18 66.316 -1.717 0.210 1.00 0.07 C ATOM 292 C ILE A 18 66.353 -0.192 0.144 1.00 0.07 C ATOM 293 O ILE A 18 65.981 0.483 1.089 1.00 0.09 O ATOM 294 CB ILE A 18 64.872 -2.202 0.402 1.00 0.08 C ATOM 295 CG1 ILE A 18 64.834 -3.730 0.595 1.00 0.09 C ATOM 296 CG2 ILE A 18 64.038 -1.819 -0.827 1.00 0.09 C ATOM 297 CD1 ILE A 18 65.469 -4.440 -0.608 1.00 0.09 C ATOM 0 H ILE A 18 66.698 -1.905 2.307 1.00 0.07 H new ATOM 0 HA ILE A 18 66.746 -2.097 -0.717 1.00 0.07 H new ATOM 0 HB ILE A 18 64.458 -1.728 1.292 1.00 0.08 H new ATOM 0 HG12 ILE A 18 65.366 -4.001 1.507 1.00 0.09 H new ATOM 0 HG13 ILE A 18 63.803 -4.061 0.718 1.00 0.09 H new ATOM 0 HG21 ILE A 18 63.012 -2.163 -0.692 1.00 0.09 H new ATOM 0 HG22 ILE A 18 64.045 -0.736 -0.948 1.00 0.09 H new ATOM 0 HG23 ILE A 18 64.463 -2.286 -1.715 1.00 0.09 H new ATOM 0 HD11 ILE A 18 65.433 -5.519 -0.454 1.00 0.09 H new ATOM 0 HD12 ILE A 18 64.919 -4.184 -1.514 1.00 0.09 H new ATOM 0 HD13 ILE A 18 66.507 -4.122 -0.712 1.00 0.09 H new ATOM 309 N ILE A 19 66.709 0.351 -0.993 1.00 0.06 N ATOM 310 CA ILE A 19 66.666 1.836 -1.162 1.00 0.07 C ATOM 311 C ILE A 19 65.223 2.275 -1.448 1.00 0.08 C ATOM 312 O ILE A 19 64.512 1.586 -2.147 1.00 0.08 O ATOM 313 CB ILE A 19 67.587 2.143 -2.356 1.00 0.06 C ATOM 314 CG1 ILE A 19 69.009 1.639 -2.014 1.00 0.07 C ATOM 315 CG2 ILE A 19 67.593 3.662 -2.602 1.00 0.07 C ATOM 316 CD1 ILE A 19 70.028 2.071 -3.074 1.00 0.08 C ATOM 0 H ILE A 19 67.027 -0.169 -1.811 1.00 0.06 H new ATOM 0 HA ILE A 19 66.994 2.369 -0.270 1.00 0.07 H new ATOM 0 HB ILE A 19 67.237 1.644 -3.260 1.00 0.06 H new ATOM 0 HG12 ILE A 19 69.309 2.026 -1.040 1.00 0.07 H new ATOM 0 HG13 ILE A 19 69.002 0.552 -1.936 1.00 0.07 H new ATOM 0 HG21 ILE A 19 68.243 3.891 -3.446 1.00 0.07 H new ATOM 0 HG22 ILE A 19 66.580 3.999 -2.822 1.00 0.07 H new ATOM 0 HG23 ILE A 19 67.960 4.173 -1.712 1.00 0.07 H new ATOM 0 HD11 ILE A 19 71.016 1.700 -2.802 1.00 0.08 H new ATOM 0 HD12 ILE A 19 69.741 1.662 -4.043 1.00 0.08 H new ATOM 0 HD13 ILE A 19 70.053 3.159 -3.133 1.00 0.08 H new ATOM 328 N PRO A 20 64.851 3.453 -0.986 1.00 0.10 N ATOM 329 CA PRO A 20 63.505 3.993 -1.321 1.00 0.12 C ATOM 330 C PRO A 20 63.393 4.208 -2.823 1.00 0.10 C ATOM 331 O PRO A 20 64.349 4.586 -3.474 1.00 0.08 O ATOM 332 CB PRO A 20 63.463 5.324 -0.580 1.00 0.14 C ATOM 333 CG PRO A 20 64.902 5.689 -0.440 1.00 0.13 C ATOM 334 CD PRO A 20 65.602 4.397 -0.137 1.00 0.12 C ATOM 0 HA PRO A 20 62.687 3.329 -1.040 1.00 0.12 H new ATOM 0 HB2 PRO A 20 62.910 6.078 -1.140 1.00 0.14 H new ATOM 0 HB3 PRO A 20 62.977 5.228 0.391 1.00 0.14 H new ATOM 0 HG2 PRO A 20 65.286 6.141 -1.355 1.00 0.13 H new ATOM 0 HG3 PRO A 20 65.049 6.415 0.360 1.00 0.13 H new ATOM 0 HD2 PRO A 20 66.660 4.432 -0.398 1.00 0.12 H new ATOM 0 HD3 PRO A 20 65.543 4.136 0.920 1.00 0.12 H new ATOM 342 N ALA A 21 62.238 3.954 -3.376 1.00 0.11 N ATOM 343 CA ALA A 21 62.054 4.113 -4.852 1.00 0.10 C ATOM 344 C ALA A 21 62.380 5.549 -5.281 1.00 0.09 C ATOM 345 O ALA A 21 62.752 5.795 -6.415 1.00 0.08 O ATOM 346 CB ALA A 21 60.579 3.800 -5.116 1.00 0.13 C ATOM 0 H ALA A 21 61.410 3.642 -2.869 1.00 0.11 H new ATOM 0 HA ALA A 21 62.715 3.454 -5.415 1.00 0.10 H new ATOM 0 HB1 ALA A 21 60.372 3.897 -6.182 1.00 0.13 H new ATOM 0 HB2 ALA A 21 60.360 2.782 -4.795 1.00 0.13 H new ATOM 0 HB3 ALA A 21 59.954 4.498 -4.560 1.00 0.13 H new ATOM 352 N GLY A 22 62.232 6.498 -4.384 1.00 0.10 N ATOM 353 CA GLY A 22 62.516 7.924 -4.740 1.00 0.10 C ATOM 354 C GLY A 22 64.000 8.096 -5.066 1.00 0.08 C ATOM 355 O GLY A 22 64.355 8.752 -6.028 1.00 0.07 O ATOM 0 H GLY A 22 61.927 6.345 -3.423 1.00 0.10 H new ATOM 0 HA2 GLY A 22 61.910 8.221 -5.596 1.00 0.10 H new ATOM 0 HA3 GLY A 22 62.239 8.576 -3.912 1.00 0.10 H new ATOM 359 N THR A 23 64.869 7.510 -4.276 1.00 0.08 N ATOM 360 CA THR A 23 66.336 7.642 -4.542 1.00 0.08 C ATOM 361 C THR A 23 66.711 6.869 -5.806 1.00 0.07 C ATOM 362 O THR A 23 67.484 7.343 -6.616 1.00 0.08 O ATOM 363 CB THR A 23 67.037 7.044 -3.318 1.00 0.10 C ATOM 364 OG1 THR A 23 66.607 7.730 -2.150 1.00 0.14 O ATOM 365 CG2 THR A 23 68.555 7.192 -3.471 1.00 0.12 C ATOM 0 H THR A 23 64.626 6.948 -3.461 1.00 0.08 H new ATOM 0 HA THR A 23 66.628 8.680 -4.700 1.00 0.08 H new ATOM 0 HB THR A 23 66.786 5.987 -3.234 1.00 0.10 H new ATOM 0 HG1 THR A 23 67.052 7.349 -1.364 1.00 0.14 H new ATOM 0 HG21 THR A 23 69.052 6.766 -2.599 1.00 0.12 H new ATOM 0 HG22 THR A 23 68.883 6.667 -4.368 1.00 0.12 H new ATOM 0 HG23 THR A 23 68.811 8.248 -3.554 1.00 0.12 H new ATOM 373 N ARG A 24 66.130 5.707 -6.013 1.00 0.07 N ATOM 374 CA ARG A 24 66.419 4.927 -7.277 1.00 0.07 C ATOM 375 C ARG A 24 66.097 5.797 -8.497 1.00 0.07 C ATOM 376 O ARG A 24 66.798 5.783 -9.490 1.00 0.09 O ATOM 377 CB ARG A 24 65.488 3.698 -7.304 1.00 0.08 C ATOM 378 CG ARG A 24 65.419 2.987 -5.948 1.00 0.06 C ATOM 379 CD ARG A 24 65.070 1.517 -6.165 1.00 0.07 C ATOM 380 NE ARG A 24 64.307 1.117 -4.942 1.00 0.07 N ATOM 381 CZ ARG A 24 63.444 0.115 -4.956 1.00 0.09 C ATOM 382 NH1 ARG A 24 63.214 -0.598 -6.037 1.00 0.10 N ATOM 383 NH2 ARG A 24 62.802 -0.175 -3.858 1.00 0.10 N ATOM 0 H ARG A 24 65.473 5.263 -5.371 1.00 0.07 H new ATOM 0 HA ARG A 24 67.467 4.629 -7.300 1.00 0.07 H new ATOM 0 HB2 ARG A 24 64.486 4.011 -7.598 1.00 0.08 H new ATOM 0 HB3 ARG A 24 65.838 2.997 -8.061 1.00 0.08 H new ATOM 0 HG2 ARG A 24 66.374 3.073 -5.431 1.00 0.06 H new ATOM 0 HG3 ARG A 24 64.669 3.461 -5.314 1.00 0.06 H new ATOM 0 HD2 ARG A 24 64.471 1.382 -7.066 1.00 0.07 H new ATOM 0 HD3 ARG A 24 65.968 0.911 -6.286 1.00 0.07 H new ATOM 0 HE ARG A 24 64.456 1.631 -4.074 1.00 0.07 H new ATOM 0 HH11 ARG A 24 63.709 -0.385 -6.903 1.00 0.10 H new ATOM 0 HH12 ARG A 24 62.541 -1.364 -6.009 1.00 0.10 H new ATOM 0 HH21 ARG A 24 62.970 0.367 -3.011 1.00 0.10 H new ATOM 0 HH22 ARG A 24 62.132 -0.944 -3.847 1.00 0.10 H new ATOM 397 N LYS A 25 64.992 6.496 -8.436 1.00 0.08 N ATOM 398 CA LYS A 25 64.540 7.317 -9.603 1.00 0.10 C ATOM 399 C LYS A 25 65.504 8.482 -9.835 1.00 0.12 C ATOM 400 O LYS A 25 66.004 8.674 -10.927 1.00 0.13 O ATOM 401 CB LYS A 25 63.151 7.836 -9.203 1.00 0.13 C ATOM 402 CG LYS A 25 62.558 8.666 -10.339 1.00 0.50 C ATOM 403 CD LYS A 25 61.173 9.175 -9.932 1.00 1.27 C ATOM 404 CE LYS A 25 60.505 9.853 -11.130 1.00 1.50 C ATOM 405 NZ LYS A 25 59.721 10.977 -10.547 1.00 2.26 N ATOM 0 H LYS A 25 64.378 6.534 -7.622 1.00 0.08 H new ATOM 0 HA LYS A 25 64.511 6.743 -10.529 1.00 0.10 H new ATOM 0 HB2 LYS A 25 62.493 6.998 -8.972 1.00 0.13 H new ATOM 0 HB3 LYS A 25 63.226 8.441 -8.300 1.00 0.13 H new ATOM 0 HG2 LYS A 25 63.213 9.507 -10.569 1.00 0.50 H new ATOM 0 HG3 LYS A 25 62.484 8.063 -11.244 1.00 0.50 H new ATOM 0 HD2 LYS A 25 60.558 8.346 -9.581 1.00 1.27 H new ATOM 0 HD3 LYS A 25 61.262 9.879 -9.105 1.00 1.27 H new ATOM 0 HE2 LYS A 25 61.246 10.216 -11.842 1.00 1.50 H new ATOM 0 HE3 LYS A 25 59.860 9.158 -11.668 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 59.233 11.491 -11.308 1.00 2.26 H new ATOM 0 HZ2 LYS A 25 59.019 10.601 -9.878 1.00 2.26 H new ATOM 0 HZ3 LYS A 25 60.363 11.625 -10.047 1.00 2.26 H new ATOM 419 N PHE A 26 65.806 9.223 -8.800 1.00 0.12 N ATOM 420 CA PHE A 26 66.775 10.362 -8.932 1.00 0.13 C ATOM 421 C PHE A 26 68.128 9.861 -9.446 1.00 0.12 C ATOM 422 O PHE A 26 68.845 10.571 -10.128 1.00 0.12 O ATOM 423 CB PHE A 26 66.918 10.936 -7.518 1.00 0.14 C ATOM 424 CG PHE A 26 67.812 12.154 -7.548 1.00 0.16 C ATOM 425 CD1 PHE A 26 67.280 13.427 -7.943 1.00 0.17 C ATOM 426 CD2 PHE A 26 69.194 12.035 -7.184 1.00 0.18 C ATOM 427 CE1 PHE A 26 68.131 14.581 -7.973 1.00 0.18 C ATOM 428 CE2 PHE A 26 70.046 13.190 -7.213 1.00 0.20 C ATOM 429 CZ PHE A 26 69.514 14.463 -7.607 1.00 0.19 C ATOM 0 H PHE A 26 65.424 9.091 -7.864 1.00 0.12 H new ATOM 0 HA PHE A 26 66.426 11.111 -9.643 1.00 0.13 H new ATOM 0 HB2 PHE A 26 65.938 11.203 -7.123 1.00 0.14 H new ATOM 0 HB3 PHE A 26 67.336 10.183 -6.850 1.00 0.14 H new ATOM 0 HD1 PHE A 26 66.239 13.516 -8.218 1.00 0.17 H new ATOM 0 HD2 PHE A 26 69.594 11.076 -6.888 1.00 0.18 H new ATOM 0 HE1 PHE A 26 67.731 15.539 -8.271 1.00 0.18 H new ATOM 0 HE2 PHE A 26 71.087 13.101 -6.938 1.00 0.20 H new ATOM 0 HZ PHE A 26 70.154 15.333 -7.628 1.00 0.19 H new ATOM 439 N TYR A 27 68.521 8.688 -9.027 1.00 0.11 N ATOM 440 CA TYR A 27 69.882 8.170 -9.372 1.00 0.10 C ATOM 441 C TYR A 27 69.877 7.442 -10.730 1.00 0.09 C ATOM 442 O TYR A 27 70.921 7.235 -11.322 1.00 0.09 O ATOM 443 CB TYR A 27 70.204 7.198 -8.234 1.00 0.10 C ATOM 444 CG TYR A 27 71.672 6.847 -8.221 1.00 0.08 C ATOM 445 CD1 TYR A 27 72.237 5.981 -9.222 1.00 0.08 C ATOM 446 CD2 TYR A 27 72.500 7.363 -7.176 1.00 0.12 C ATOM 447 CE1 TYR A 27 73.630 5.640 -9.170 1.00 0.11 C ATOM 448 CE2 TYR A 27 73.889 7.024 -7.127 1.00 0.15 C ATOM 449 CZ TYR A 27 74.456 6.164 -8.120 1.00 0.13 C ATOM 450 OH TYR A 27 75.793 5.837 -8.060 1.00 0.20 O ATOM 0 H TYR A 27 67.955 8.060 -8.456 1.00 0.11 H new ATOM 0 HA TYR A 27 70.618 8.968 -9.469 1.00 0.10 H new ATOM 0 HB2 TYR A 27 69.925 7.645 -7.280 1.00 0.10 H new ATOM 0 HB3 TYR A 27 69.611 6.291 -8.347 1.00 0.10 H new ATOM 0 HD1 TYR A 27 71.613 5.588 -10.011 1.00 0.08 H new ATOM 0 HD2 TYR A 27 72.076 8.010 -6.422 1.00 0.12 H new ATOM 0 HE1 TYR A 27 74.056 4.990 -9.920 1.00 0.11 H new ATOM 0 HE2 TYR A 27 74.512 7.419 -6.338 1.00 0.15 H new ATOM 0 HH TYR A 27 75.888 4.868 -7.952 1.00 0.20 H new ATOM 460 N GLY A 28 68.716 7.109 -11.260 1.00 0.10 N ATOM 461 CA GLY A 28 68.661 6.456 -12.606 1.00 0.11 C ATOM 462 C GLY A 28 69.094 4.988 -12.486 1.00 0.10 C ATOM 463 O GLY A 28 69.854 4.494 -13.299 1.00 0.11 O ATOM 0 H GLY A 28 67.810 7.263 -10.817 1.00 0.10 H new ATOM 0 HA2 GLY A 28 67.650 6.515 -13.009 1.00 0.11 H new ATOM 0 HA3 GLY A 28 69.313 6.982 -13.303 1.00 0.11 H new ATOM 467 N ILE A 29 68.681 4.316 -11.436 1.00 0.10 N ATOM 468 CA ILE A 29 69.141 2.905 -11.207 1.00 0.10 C ATOM 469 C ILE A 29 68.146 1.909 -11.808 1.00 0.11 C ATOM 470 O ILE A 29 66.968 1.929 -11.500 1.00 0.12 O ATOM 471 CB ILE A 29 69.216 2.738 -9.681 1.00 0.10 C ATOM 472 CG1 ILE A 29 70.194 3.761 -9.109 1.00 0.11 C ATOM 473 CG2 ILE A 29 69.705 1.327 -9.326 1.00 0.12 C ATOM 474 CD1 ILE A 29 70.143 3.740 -7.579 1.00 0.12 C ATOM 0 H ILE A 29 68.046 4.683 -10.727 1.00 0.10 H new ATOM 0 HA ILE A 29 70.103 2.714 -11.682 1.00 0.10 H new ATOM 0 HB ILE A 29 68.223 2.891 -9.259 1.00 0.10 H new ATOM 0 HG12 ILE A 29 71.205 3.539 -9.450 1.00 0.11 H new ATOM 0 HG13 ILE A 29 69.946 4.757 -9.475 1.00 0.11 H new ATOM 0 HG21 ILE A 29 69.754 1.221 -8.242 1.00 0.12 H new ATOM 0 HG22 ILE A 29 69.013 0.589 -9.732 1.00 0.12 H new ATOM 0 HG23 ILE A 29 70.696 1.168 -9.751 1.00 0.12 H new ATOM 0 HD11 ILE A 29 70.844 4.473 -7.181 1.00 0.12 H new ATOM 0 HD12 ILE A 29 69.135 3.984 -7.245 1.00 0.12 H new ATOM 0 HD13 ILE A 29 70.414 2.747 -7.220 1.00 0.12 H new ATOM 486 N GLU A 30 68.652 0.952 -12.539 1.00 0.10 N ATOM 487 CA GLU A 30 67.797 -0.168 -13.032 1.00 0.11 C ATOM 488 C GLU A 30 68.463 -1.503 -12.687 1.00 0.10 C ATOM 489 O GLU A 30 69.649 -1.555 -12.416 1.00 0.09 O ATOM 490 CB GLU A 30 67.721 0.020 -14.549 1.00 0.13 C ATOM 491 CG GLU A 30 67.068 1.371 -14.868 1.00 1.13 C ATOM 492 CD GLU A 30 66.916 1.548 -16.386 1.00 1.34 C ATOM 493 OE1 GLU A 30 67.596 0.854 -17.129 1.00 1.99 O ATOM 494 OE2 GLU A 30 66.117 2.381 -16.783 1.00 1.63 O ATOM 0 H GLU A 30 69.631 0.898 -12.819 1.00 0.10 H new ATOM 0 HA GLU A 30 66.805 -0.169 -12.581 1.00 0.11 H new ATOM 0 HB2 GLU A 30 68.721 -0.023 -14.981 1.00 0.13 H new ATOM 0 HB3 GLU A 30 67.144 -0.789 -14.997 1.00 0.13 H new ATOM 0 HG2 GLU A 30 66.091 1.432 -14.389 1.00 1.13 H new ATOM 0 HG3 GLU A 30 67.674 2.180 -14.460 1.00 1.13 H new ATOM 501 N GLN A 31 67.716 -2.581 -12.702 1.00 0.10 N ATOM 502 CA GLN A 31 68.315 -3.921 -12.377 1.00 0.09 C ATOM 503 C GLN A 31 69.476 -4.233 -13.330 1.00 0.09 C ATOM 504 O GLN A 31 69.395 -3.989 -14.520 1.00 0.10 O ATOM 505 CB GLN A 31 67.182 -4.932 -12.569 1.00 0.11 C ATOM 506 CG GLN A 31 66.109 -4.705 -11.499 1.00 1.15 C ATOM 507 CD GLN A 31 64.909 -5.630 -11.748 1.00 1.21 C ATOM 508 OE1 GLN A 31 64.882 -6.380 -12.707 1.00 0.95 O ATOM 509 NE2 GLN A 31 63.902 -5.603 -10.919 1.00 1.95 N ATOM 0 H GLN A 31 66.721 -2.594 -12.924 1.00 0.10 H new ATOM 0 HA GLN A 31 68.717 -3.950 -11.364 1.00 0.09 H new ATOM 0 HB2 GLN A 31 66.748 -4.824 -13.563 1.00 0.11 H new ATOM 0 HB3 GLN A 31 67.571 -5.948 -12.500 1.00 0.11 H new ATOM 0 HG2 GLN A 31 66.525 -4.895 -10.510 1.00 1.15 H new ATOM 0 HG3 GLN A 31 65.785 -3.664 -11.514 1.00 1.15 H new ATOM 0 HE21 GLN A 31 63.920 -4.976 -10.114 1.00 1.95 H new ATOM 0 HE22 GLN A 31 63.096 -6.209 -11.075 1.00 1.95 H new ATOM 518 N GLY A 32 70.545 -4.784 -12.811 1.00 0.09 N ATOM 519 CA GLY A 32 71.712 -5.136 -13.672 1.00 0.10 C ATOM 520 C GLY A 32 72.754 -4.005 -13.671 1.00 0.09 C ATOM 521 O GLY A 32 73.898 -4.225 -14.027 1.00 0.10 O ATOM 0 H GLY A 32 70.658 -5.006 -11.822 1.00 0.09 H new ATOM 0 HA2 GLY A 32 72.169 -6.058 -13.313 1.00 0.10 H new ATOM 0 HA3 GLY A 32 71.374 -5.324 -14.691 1.00 0.10 H new ATOM 525 N ASP A 33 72.393 -2.812 -13.236 1.00 0.07 N ATOM 526 CA ASP A 33 73.395 -1.700 -13.171 1.00 0.07 C ATOM 527 C ASP A 33 74.299 -1.874 -11.952 1.00 0.06 C ATOM 528 O ASP A 33 73.924 -2.518 -10.989 1.00 0.07 O ATOM 529 CB ASP A 33 72.573 -0.415 -13.048 1.00 0.07 C ATOM 530 CG ASP A 33 71.795 -0.159 -14.344 1.00 0.08 C ATOM 531 OD1 ASP A 33 72.222 -0.634 -15.386 1.00 0.09 O ATOM 532 OD2 ASP A 33 70.786 0.517 -14.269 1.00 0.09 O ATOM 0 H ASP A 33 71.453 -2.566 -12.926 1.00 0.07 H new ATOM 0 HA ASP A 33 74.041 -1.683 -14.049 1.00 0.07 H new ATOM 0 HB2 ASP A 33 71.881 -0.496 -12.210 1.00 0.07 H new ATOM 0 HB3 ASP A 33 73.231 0.428 -12.838 1.00 0.07 H new ATOM 537 N PHE A 34 75.445 -1.234 -11.948 1.00 0.05 N ATOM 538 CA PHE A 34 76.330 -1.281 -10.749 1.00 0.05 C ATOM 539 C PHE A 34 76.400 0.101 -10.106 1.00 0.04 C ATOM 540 O PHE A 34 76.589 1.089 -10.785 1.00 0.05 O ATOM 541 CB PHE A 34 77.703 -1.690 -11.281 1.00 0.07 C ATOM 542 CG PHE A 34 77.666 -3.132 -11.727 1.00 0.08 C ATOM 543 CD1 PHE A 34 77.968 -4.178 -10.793 1.00 0.09 C ATOM 544 CD2 PHE A 34 77.332 -3.454 -13.084 1.00 0.09 C ATOM 545 CE1 PHE A 34 77.936 -5.549 -11.217 1.00 0.10 C ATOM 546 CE2 PHE A 34 77.300 -4.825 -13.509 1.00 0.11 C ATOM 547 CZ PHE A 34 77.601 -5.872 -12.575 1.00 0.11 C ATOM 0 H PHE A 34 75.803 -0.681 -12.727 1.00 0.05 H new ATOM 0 HA PHE A 34 75.966 -1.975 -9.991 1.00 0.05 H new ATOM 0 HB2 PHE A 34 77.987 -1.048 -12.115 1.00 0.07 H new ATOM 0 HB3 PHE A 34 78.458 -1.558 -10.506 1.00 0.07 H new ATOM 0 HD1 PHE A 34 78.219 -3.934 -9.771 1.00 0.09 H new ATOM 0 HD2 PHE A 34 77.105 -2.665 -13.786 1.00 0.09 H new ATOM 0 HE1 PHE A 34 78.164 -6.337 -10.515 1.00 0.10 H new ATOM 0 HE2 PHE A 34 77.050 -5.068 -14.531 1.00 0.11 H new ATOM 0 HZ PHE A 34 77.575 -6.904 -12.894 1.00 0.11 H new ATOM 557 N VAL A 35 76.371 0.157 -8.800 1.00 0.04 N ATOM 558 CA VAL A 35 76.575 1.461 -8.102 1.00 0.04 C ATOM 559 C VAL A 35 77.634 1.286 -7.010 1.00 0.04 C ATOM 560 O VAL A 35 77.860 0.189 -6.534 1.00 0.04 O ATOM 561 CB VAL A 35 75.205 1.835 -7.518 1.00 0.04 C ATOM 562 CG1 VAL A 35 74.187 1.979 -8.658 1.00 0.04 C ATOM 563 CG2 VAL A 35 74.724 0.746 -6.556 1.00 0.03 C ATOM 0 H VAL A 35 76.215 -0.643 -8.187 1.00 0.04 H new ATOM 0 HA VAL A 35 76.932 2.249 -8.765 1.00 0.04 H new ATOM 0 HB VAL A 35 75.298 2.777 -6.977 1.00 0.04 H new ATOM 0 HG11 VAL A 35 73.214 2.244 -8.245 1.00 0.04 H new ATOM 0 HG12 VAL A 35 74.516 2.760 -9.343 1.00 0.04 H new ATOM 0 HG13 VAL A 35 74.107 1.034 -9.196 1.00 0.04 H new ATOM 0 HG21 VAL A 35 73.752 1.024 -6.149 1.00 0.03 H new ATOM 0 HG22 VAL A 35 74.637 -0.200 -7.091 1.00 0.03 H new ATOM 0 HG23 VAL A 35 75.440 0.637 -5.742 1.00 0.03 H new ATOM 573 N GLU A 36 78.295 2.350 -6.625 1.00 0.04 N ATOM 574 CA GLU A 36 79.358 2.244 -5.582 1.00 0.05 C ATOM 575 C GLU A 36 78.953 3.100 -4.399 1.00 0.05 C ATOM 576 O GLU A 36 78.511 4.217 -4.582 1.00 0.05 O ATOM 577 CB GLU A 36 80.627 2.787 -6.240 1.00 0.06 C ATOM 578 CG GLU A 36 81.820 2.588 -5.296 1.00 0.07 C ATOM 579 CD GLU A 36 83.097 3.213 -5.888 1.00 0.09 C ATOM 580 OE1 GLU A 36 83.013 3.858 -6.925 1.00 0.96 O ATOM 581 OE2 GLU A 36 84.143 3.037 -5.286 1.00 1.00 O ATOM 0 H GLU A 36 78.142 3.290 -6.991 1.00 0.04 H new ATOM 0 HA GLU A 36 79.511 1.226 -5.224 1.00 0.05 H new ATOM 0 HB2 GLU A 36 80.808 2.274 -7.184 1.00 0.06 H new ATOM 0 HB3 GLU A 36 80.505 3.845 -6.471 1.00 0.06 H new ATOM 0 HG2 GLU A 36 81.603 3.041 -4.328 1.00 0.07 H new ATOM 0 HG3 GLU A 36 81.978 1.524 -5.122 1.00 0.07 H new ATOM 588 N ILE A 37 78.879 2.509 -3.234 1.00 0.05 N ATOM 589 CA ILE A 37 78.233 3.212 -2.094 1.00 0.05 C ATOM 590 C ILE A 37 78.998 2.967 -0.788 1.00 0.05 C ATOM 591 O ILE A 37 79.701 1.984 -0.646 1.00 0.06 O ATOM 592 CB ILE A 37 76.820 2.616 -2.046 1.00 0.05 C ATOM 593 CG1 ILE A 37 76.007 3.301 -0.947 1.00 0.05 C ATOM 594 CG2 ILE A 37 76.888 1.109 -1.771 1.00 0.06 C ATOM 595 CD1 ILE A 37 74.514 3.272 -1.310 1.00 0.08 C ATOM 0 H ILE A 37 79.236 1.576 -3.027 1.00 0.05 H new ATOM 0 HA ILE A 37 78.220 4.295 -2.217 1.00 0.05 H new ATOM 0 HB ILE A 37 76.338 2.779 -3.010 1.00 0.05 H new ATOM 0 HG12 ILE A 37 76.169 2.797 0.006 1.00 0.05 H new ATOM 0 HG13 ILE A 37 76.341 4.331 -0.823 1.00 0.05 H new ATOM 0 HG21 ILE A 37 75.879 0.699 -1.740 1.00 0.06 H new ATOM 0 HG22 ILE A 37 77.454 0.620 -2.564 1.00 0.06 H new ATOM 0 HG23 ILE A 37 77.380 0.936 -0.814 1.00 0.06 H new ATOM 0 HD11 ILE A 37 73.939 3.761 -0.524 1.00 0.08 H new ATOM 0 HD12 ILE A 37 74.359 3.796 -2.253 1.00 0.08 H new ATOM 0 HD13 ILE A 37 74.184 2.238 -1.411 1.00 0.08 H new ATOM 607 N LYS A 38 78.819 3.834 0.175 1.00 0.06 N ATOM 608 CA LYS A 38 79.478 3.646 1.501 1.00 0.07 C ATOM 609 C LYS A 38 78.470 3.859 2.632 1.00 0.07 C ATOM 610 O LYS A 38 77.590 4.690 2.535 1.00 0.07 O ATOM 611 CB LYS A 38 80.572 4.711 1.560 1.00 0.08 C ATOM 612 CG LYS A 38 81.502 4.396 2.728 1.00 0.15 C ATOM 613 CD LYS A 38 82.623 5.436 2.786 1.00 0.41 C ATOM 614 CE LYS A 38 83.632 5.039 3.865 1.00 1.18 C ATOM 615 NZ LYS A 38 84.953 5.475 3.336 1.00 1.06 N ATOM 0 H LYS A 38 78.240 4.670 0.098 1.00 0.06 H new ATOM 0 HA LYS A 38 79.880 2.639 1.617 1.00 0.07 H new ATOM 0 HB2 LYS A 38 81.133 4.729 0.625 1.00 0.08 H new ATOM 0 HB3 LYS A 38 80.130 5.700 1.685 1.00 0.08 H new ATOM 0 HG2 LYS A 38 80.942 4.398 3.663 1.00 0.15 H new ATOM 0 HG3 LYS A 38 81.924 3.398 2.611 1.00 0.15 H new ATOM 0 HD2 LYS A 38 83.119 5.506 1.818 1.00 0.41 H new ATOM 0 HD3 LYS A 38 82.209 6.420 3.005 1.00 0.41 H new ATOM 0 HE2 LYS A 38 83.407 5.525 4.814 1.00 1.18 H new ATOM 0 HE3 LYS A 38 83.614 3.964 4.046 1.00 1.18 H new ATOM 0 HZ1 LYS A 38 85.671 5.393 4.084 1.00 1.06 H new ATOM 0 HZ2 LYS A 38 85.221 4.872 2.532 1.00 1.06 H new ATOM 0 HZ3 LYS A 38 84.892 6.465 3.022 1.00 1.06 H new ATOM 629 N ILE A 39 78.613 3.132 3.714 1.00 0.08 N ATOM 630 CA ILE A 39 77.684 3.308 4.877 1.00 0.08 C ATOM 631 C ILE A 39 78.441 3.841 6.091 1.00 0.08 C ATOM 632 O ILE A 39 79.604 3.541 6.289 1.00 0.08 O ATOM 633 CB ILE A 39 77.118 1.916 5.191 1.00 0.09 C ATOM 634 CG1 ILE A 39 78.267 0.924 5.431 1.00 0.10 C ATOM 635 CG2 ILE A 39 76.249 1.435 4.031 1.00 0.10 C ATOM 636 CD1 ILE A 39 77.728 -0.328 6.123 1.00 0.12 C ATOM 0 H ILE A 39 79.334 2.423 3.843 1.00 0.08 H new ATOM 0 HA ILE A 39 76.895 4.021 4.640 1.00 0.08 H new ATOM 0 HB ILE A 39 76.508 1.976 6.092 1.00 0.09 H new ATOM 0 HG12 ILE A 39 78.733 0.656 4.483 1.00 0.10 H new ATOM 0 HG13 ILE A 39 79.039 1.388 6.045 1.00 0.10 H new ATOM 0 HG21 ILE A 39 75.851 0.447 4.260 1.00 0.10 H new ATOM 0 HG22 ILE A 39 75.425 2.132 3.880 1.00 0.10 H new ATOM 0 HG23 ILE A 39 76.850 1.382 3.123 1.00 0.10 H new ATOM 0 HD11 ILE A 39 78.544 -1.030 6.292 1.00 0.12 H new ATOM 0 HD12 ILE A 39 77.283 -0.052 7.079 1.00 0.12 H new ATOM 0 HD13 ILE A 39 76.972 -0.796 5.492 1.00 0.12 H new ATOM 648 N VAL A 40 77.759 4.572 6.936 1.00 0.08 N ATOM 649 CA VAL A 40 78.390 5.070 8.194 1.00 0.08 C ATOM 650 C VAL A 40 77.400 4.936 9.356 1.00 0.09 C ATOM 651 O VAL A 40 76.324 5.505 9.335 1.00 0.10 O ATOM 652 CB VAL A 40 78.713 6.546 7.929 1.00 0.09 C ATOM 653 CG1 VAL A 40 79.402 7.155 9.156 1.00 0.10 C ATOM 654 CG2 VAL A 40 79.649 6.667 6.721 1.00 0.10 C ATOM 0 H VAL A 40 76.785 4.847 6.807 1.00 0.08 H new ATOM 0 HA VAL A 40 79.284 4.506 8.462 1.00 0.08 H new ATOM 0 HB VAL A 40 77.783 7.078 7.727 1.00 0.09 H new ATOM 0 HG11 VAL A 40 79.629 8.203 8.963 1.00 0.10 H new ATOM 0 HG12 VAL A 40 78.741 7.080 10.019 1.00 0.10 H new ATOM 0 HG13 VAL A 40 80.327 6.615 9.360 1.00 0.10 H new ATOM 0 HG21 VAL A 40 79.874 7.718 6.539 1.00 0.10 H new ATOM 0 HG22 VAL A 40 80.574 6.127 6.922 1.00 0.10 H new ATOM 0 HG23 VAL A 40 79.165 6.242 5.842 1.00 0.10 H new ATOM 664 N LYS A 41 77.802 4.261 10.400 1.00 0.09 N ATOM 665 CA LYS A 41 76.952 4.161 11.623 1.00 0.11 C ATOM 666 C LYS A 41 77.805 4.447 12.854 1.00 0.11 C ATOM 667 O LYS A 41 78.979 4.137 12.878 1.00 0.12 O ATOM 668 CB LYS A 41 76.451 2.720 11.656 1.00 0.14 C ATOM 669 CG LYS A 41 75.439 2.560 12.792 1.00 0.18 C ATOM 670 CD LYS A 41 75.095 1.079 12.964 1.00 1.18 C ATOM 671 CE LYS A 41 73.964 0.925 13.984 1.00 1.31 C ATOM 672 NZ LYS A 41 74.504 1.488 15.254 1.00 1.94 N ATOM 0 H LYS A 41 78.694 3.769 10.458 1.00 0.09 H new ATOM 0 HA LYS A 41 76.126 4.872 11.613 1.00 0.11 H new ATOM 0 HB2 LYS A 41 75.989 2.462 10.703 1.00 0.14 H new ATOM 0 HB3 LYS A 41 77.287 2.036 11.800 1.00 0.14 H new ATOM 0 HG2 LYS A 41 75.851 2.959 13.719 1.00 0.18 H new ATOM 0 HG3 LYS A 41 74.537 3.131 12.573 1.00 0.18 H new ATOM 0 HD2 LYS A 41 74.795 0.652 12.007 1.00 1.18 H new ATOM 0 HD3 LYS A 41 75.975 0.528 13.297 1.00 1.18 H new ATOM 0 HE2 LYS A 41 73.070 1.461 13.665 1.00 1.31 H new ATOM 0 HE3 LYS A 41 73.683 -0.121 14.105 1.00 1.31 H new ATOM 0 HZ1 LYS A 41 73.995 1.074 16.061 1.00 1.94 H new ATOM 0 HZ2 LYS A 41 75.517 1.263 15.331 1.00 1.94 H new ATOM 0 HZ3 LYS A 41 74.377 2.520 15.258 1.00 1.94 H new ATOM 686 N TYR A 42 77.242 5.079 13.849 1.00 0.12 N ATOM 687 CA TYR A 42 78.045 5.441 15.058 1.00 0.13 C ATOM 688 C TYR A 42 77.736 4.485 16.215 1.00 0.18 C ATOM 689 O TYR A 42 76.590 4.289 16.576 1.00 0.23 O ATOM 690 CB TYR A 42 77.624 6.868 15.407 1.00 0.17 C ATOM 691 CG TYR A 42 78.603 7.443 16.402 1.00 0.18 C ATOM 692 CD1 TYR A 42 79.898 7.876 15.961 1.00 0.20 C ATOM 693 CD2 TYR A 42 78.242 7.557 17.786 1.00 0.28 C ATOM 694 CE1 TYR A 42 80.833 8.421 16.902 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.177 8.104 18.728 1.00 0.36 C ATOM 696 CZ TYR A 42 80.473 8.536 18.286 1.00 0.35 C ATOM 697 OH TYR A 42 81.371 9.061 19.192 1.00 0.46 O ATOM 0 H TYR A 42 76.262 5.361 13.879 1.00 0.12 H new ATOM 0 HA TYR A 42 79.117 5.369 14.873 1.00 0.13 H new ATOM 0 HB2 TYR A 42 77.598 7.483 14.507 1.00 0.17 H new ATOM 0 HB3 TYR A 42 76.617 6.871 15.825 1.00 0.17 H new ATOM 0 HD1 TYR A 42 80.169 7.791 14.919 1.00 0.20 H new ATOM 0 HD2 TYR A 42 77.267 7.231 18.119 1.00 0.28 H new ATOM 0 HE1 TYR A 42 81.808 8.745 16.569 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.905 8.191 19.770 1.00 0.36 H new ATOM 0 HH TYR A 42 80.968 9.069 20.085 1.00 0.46 H new ATOM 759 N PRO A 47 82.996 5.981 15.392 1.00 0.17 N ATOM 760 CA PRO A 47 82.196 5.734 14.168 1.00 0.14 C ATOM 761 C PRO A 47 82.714 4.489 13.431 1.00 0.15 C ATOM 762 O PRO A 47 83.903 4.337 13.219 1.00 0.21 O ATOM 763 CB PRO A 47 82.397 6.993 13.313 1.00 0.18 C ATOM 764 CG PRO A 47 83.272 7.916 14.107 1.00 0.33 C ATOM 765 CD PRO A 47 83.911 7.116 15.209 1.00 0.23 C ATOM 0 HA PRO A 47 81.145 5.550 14.388 1.00 0.14 H new ATOM 0 HB2 PRO A 47 82.862 6.743 12.359 1.00 0.18 H new ATOM 0 HB3 PRO A 47 81.441 7.465 13.087 1.00 0.18 H new ATOM 0 HG2 PRO A 47 84.034 8.362 13.468 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.685 8.735 14.522 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.912 6.783 14.933 1.00 0.23 H new ATOM 0 HD3 PRO A 47 84.010 7.702 16.123 1.00 0.23 H new ATOM 773 N LYS A 48 81.817 3.684 12.917 1.00 0.16 N ATOM 774 CA LYS A 48 82.227 2.539 12.043 1.00 0.23 C ATOM 775 C LYS A 48 81.793 2.815 10.600 1.00 0.19 C ATOM 776 O LYS A 48 80.713 3.321 10.364 1.00 0.18 O ATOM 777 CB LYS A 48 81.485 1.322 12.594 1.00 0.31 C ATOM 778 CG LYS A 48 81.900 1.075 14.046 1.00 0.41 C ATOM 779 CD LYS A 48 83.363 0.631 14.084 1.00 0.42 C ATOM 780 CE LYS A 48 83.728 0.193 15.504 1.00 0.34 C ATOM 781 NZ LYS A 48 83.267 -1.220 15.602 1.00 1.25 N ATOM 0 H LYS A 48 80.812 3.771 13.066 1.00 0.16 H new ATOM 0 HA LYS A 48 83.306 2.386 12.041 1.00 0.23 H new ATOM 0 HB2 LYS A 48 80.409 1.484 12.536 1.00 0.31 H new ATOM 0 HB3 LYS A 48 81.708 0.444 11.988 1.00 0.31 H new ATOM 0 HG2 LYS A 48 81.768 1.983 14.634 1.00 0.41 H new ATOM 0 HG3 LYS A 48 81.264 0.311 14.493 1.00 0.41 H new ATOM 0 HD2 LYS A 48 83.523 -0.191 13.386 1.00 0.42 H new ATOM 0 HD3 LYS A 48 84.010 1.449 13.767 1.00 0.42 H new ATOM 0 HE2 LYS A 48 84.801 0.271 15.677 1.00 0.34 H new ATOM 0 HE3 LYS A 48 83.238 0.820 16.249 1.00 0.34 H new ATOM 0 HZ1 LYS A 48 82.876 -1.393 16.550 1.00 1.25 H new ATOM 0 HZ2 LYS A 48 82.532 -1.396 14.887 1.00 1.25 H new ATOM 0 HZ3 LYS A 48 84.070 -1.860 15.437 1.00 1.25 H new ATOM 795 N GLU A 49 82.641 2.528 9.644 1.00 0.16 N ATOM 796 CA GLU A 49 82.299 2.821 8.217 1.00 0.14 C ATOM 797 C GLU A 49 82.646 1.634 7.315 1.00 0.11 C ATOM 798 O GLU A 49 83.425 0.772 7.678 1.00 0.12 O ATOM 799 CB GLU A 49 83.148 4.039 7.849 1.00 0.22 C ATOM 800 CG GLU A 49 82.757 5.225 8.738 1.00 0.98 C ATOM 801 CD GLU A 49 83.549 6.480 8.337 1.00 1.03 C ATOM 802 OE1 GLU A 49 84.583 6.340 7.699 1.00 1.69 O ATOM 803 OE2 GLU A 49 83.111 7.563 8.687 1.00 1.33 O ATOM 0 H GLU A 49 83.557 2.103 9.790 1.00 0.16 H new ATOM 0 HA GLU A 49 81.233 3.006 8.086 1.00 0.14 H new ATOM 0 HB2 GLU A 49 84.206 3.809 7.976 1.00 0.22 H new ATOM 0 HB3 GLU A 49 83.001 4.294 6.799 1.00 0.22 H new ATOM 0 HG2 GLU A 49 81.688 5.418 8.648 1.00 0.98 H new ATOM 0 HG3 GLU A 49 82.951 4.984 9.783 1.00 0.98 H new ATOM 810 N GLY A 50 82.087 1.608 6.130 1.00 0.10 N ATOM 811 CA GLY A 50 82.390 0.507 5.171 1.00 0.09 C ATOM 812 C GLY A 50 82.061 0.962 3.749 1.00 0.09 C ATOM 813 O GLY A 50 81.013 1.523 3.504 1.00 0.08 O ATOM 0 H GLY A 50 81.430 2.308 5.786 1.00 0.10 H new ATOM 0 HA2 GLY A 50 83.442 0.229 5.241 1.00 0.09 H new ATOM 0 HA3 GLY A 50 81.809 -0.380 5.424 1.00 0.09 H new ATOM 817 N THR A 51 82.928 0.681 2.806 1.00 0.11 N ATOM 818 CA THR A 51 82.646 1.051 1.384 1.00 0.10 C ATOM 819 C THR A 51 82.728 -0.194 0.499 1.00 0.09 C ATOM 820 O THR A 51 83.644 -0.987 0.628 1.00 0.10 O ATOM 821 CB THR A 51 83.746 2.043 0.989 1.00 0.13 C ATOM 822 OG1 THR A 51 84.033 2.905 2.080 1.00 0.15 O ATOM 823 CG2 THR A 51 83.274 2.874 -0.207 1.00 0.15 C ATOM 0 H THR A 51 83.820 0.211 2.961 1.00 0.11 H new ATOM 0 HA THR A 51 81.651 1.480 1.266 1.00 0.10 H new ATOM 0 HB THR A 51 84.648 1.492 0.721 1.00 0.13 H new ATOM 0 HG1 THR A 51 85.001 2.926 2.234 1.00 0.15 H new ATOM 0 HG21 THR A 51 84.054 3.580 -0.490 1.00 0.15 H new ATOM 0 HG22 THR A 51 83.060 2.213 -1.047 1.00 0.15 H new ATOM 0 HG23 THR A 51 82.371 3.421 0.064 1.00 0.15 H new ATOM 831 N PHE A 52 81.814 -0.343 -0.432 1.00 0.08 N ATOM 832 CA PHE A 52 81.885 -1.510 -1.367 1.00 0.08 C ATOM 833 C PHE A 52 81.146 -1.207 -2.685 1.00 0.07 C ATOM 834 O PHE A 52 80.405 -0.245 -2.785 1.00 0.06 O ATOM 835 CB PHE A 52 81.251 -2.688 -0.588 1.00 0.09 C ATOM 836 CG PHE A 52 79.739 -2.563 -0.511 1.00 0.08 C ATOM 837 CD1 PHE A 52 79.131 -1.589 0.350 1.00 0.09 C ATOM 838 CD2 PHE A 52 78.918 -3.418 -1.318 1.00 0.08 C ATOM 839 CE1 PHE A 52 77.701 -1.474 0.403 1.00 0.09 C ATOM 840 CE2 PHE A 52 77.492 -3.303 -1.266 1.00 0.08 C ATOM 841 CZ PHE A 52 76.881 -2.333 -0.407 1.00 0.08 C ATOM 0 H PHE A 52 81.028 0.289 -0.583 1.00 0.08 H new ATOM 0 HA PHE A 52 82.907 -1.745 -1.664 1.00 0.08 H new ATOM 0 HB2 PHE A 52 81.514 -3.628 -1.073 1.00 0.09 H new ATOM 0 HB3 PHE A 52 81.665 -2.722 0.420 1.00 0.09 H new ATOM 0 HD1 PHE A 52 79.748 -0.944 0.957 1.00 0.09 H new ATOM 0 HD2 PHE A 52 79.376 -4.150 -1.966 1.00 0.08 H new ATOM 0 HE1 PHE A 52 77.241 -0.742 1.051 1.00 0.09 H new ATOM 0 HE2 PHE A 52 76.876 -3.948 -1.875 1.00 0.08 H new ATOM 0 HZ PHE A 52 75.805 -2.247 -0.368 1.00 0.08 H new ATOM 851 N THR A 53 81.247 -2.100 -3.640 1.00 0.07 N ATOM 852 CA THR A 53 80.447 -1.964 -4.895 1.00 0.07 C ATOM 853 C THR A 53 79.322 -3.000 -4.897 1.00 0.07 C ATOM 854 O THR A 53 79.480 -4.093 -4.382 1.00 0.08 O ATOM 855 CB THR A 53 81.434 -2.240 -6.031 1.00 0.08 C ATOM 856 OG1 THR A 53 82.536 -1.350 -5.925 1.00 0.08 O ATOM 857 CG2 THR A 53 80.736 -2.034 -7.377 1.00 0.07 C ATOM 0 H THR A 53 81.852 -2.920 -3.603 1.00 0.07 H new ATOM 0 HA THR A 53 79.986 -0.981 -4.994 1.00 0.07 H new ATOM 0 HB THR A 53 81.789 -3.268 -5.963 1.00 0.08 H new ATOM 0 HG1 THR A 53 83.170 -1.527 -6.651 1.00 0.08 H new ATOM 0 HG21 THR A 53 81.440 -2.231 -8.186 1.00 0.07 H new ATOM 0 HG22 THR A 53 79.891 -2.718 -7.457 1.00 0.07 H new ATOM 0 HG23 THR A 53 80.379 -1.006 -7.448 1.00 0.07 H new ATOM 865 N ALA A 54 78.163 -2.633 -5.389 1.00 0.06 N ATOM 866 CA ALA A 54 76.992 -3.559 -5.330 1.00 0.07 C ATOM 867 C ALA A 54 76.169 -3.474 -6.615 1.00 0.07 C ATOM 868 O ALA A 54 76.000 -2.413 -7.184 1.00 0.06 O ATOM 869 CB ALA A 54 76.168 -3.076 -4.132 1.00 0.08 C ATOM 0 H ALA A 54 77.979 -1.731 -5.829 1.00 0.06 H new ATOM 0 HA ALA A 54 77.299 -4.600 -5.227 1.00 0.07 H new ATOM 0 HB1 ALA A 54 75.286 -3.706 -4.019 1.00 0.08 H new ATOM 0 HB2 ALA A 54 76.773 -3.133 -3.227 1.00 0.08 H new ATOM 0 HB3 ALA A 54 75.858 -2.044 -4.296 1.00 0.08 H new ATOM 875 N ARG A 55 75.595 -4.578 -7.026 1.00 0.08 N ATOM 876 CA ARG A 55 74.702 -4.568 -8.222 1.00 0.08 C ATOM 877 C ARG A 55 73.251 -4.382 -7.778 1.00 0.07 C ATOM 878 O ARG A 55 72.849 -4.866 -6.735 1.00 0.08 O ATOM 879 CB ARG A 55 74.888 -5.937 -8.874 1.00 0.11 C ATOM 880 CG ARG A 55 74.288 -5.919 -10.280 1.00 0.14 C ATOM 881 CD ARG A 55 74.315 -7.333 -10.865 1.00 0.24 C ATOM 882 NE ARG A 55 73.973 -7.166 -12.314 1.00 1.02 N ATOM 883 CZ ARG A 55 73.503 -8.168 -13.038 1.00 1.57 C ATOM 884 NH1 ARG A 55 73.317 -9.368 -12.531 1.00 1.60 N ATOM 885 NH2 ARG A 55 73.218 -7.961 -14.295 1.00 2.36 N ATOM 0 H ARG A 55 75.708 -5.489 -6.581 1.00 0.08 H new ATOM 0 HA ARG A 55 74.940 -3.758 -8.912 1.00 0.08 H new ATOM 0 HB2 ARG A 55 75.948 -6.187 -8.923 1.00 0.11 H new ATOM 0 HB3 ARG A 55 74.406 -6.707 -8.271 1.00 0.11 H new ATOM 0 HG2 ARG A 55 73.264 -5.548 -10.245 1.00 0.14 H new ATOM 0 HG3 ARG A 55 74.852 -5.239 -10.919 1.00 0.14 H new ATOM 0 HD2 ARG A 55 75.296 -7.791 -10.742 1.00 0.24 H new ATOM 0 HD3 ARG A 55 73.596 -7.981 -10.363 1.00 0.24 H new ATOM 0 HE ARG A 55 74.106 -6.255 -12.754 1.00 1.02 H new ATOM 0 HH11 ARG A 55 73.537 -9.547 -11.551 1.00 1.60 H new ATOM 0 HH12 ARG A 55 72.953 -10.119 -13.118 1.00 1.60 H new ATOM 0 HH21 ARG A 55 73.359 -7.037 -14.704 1.00 2.36 H new ATOM 0 HH22 ARG A 55 72.855 -8.723 -14.868 1.00 2.36 H new ATOM 899 N VAL A 56 72.465 -3.699 -8.570 1.00 0.07 N ATOM 900 CA VAL A 56 71.029 -3.491 -8.211 1.00 0.06 C ATOM 901 C VAL A 56 70.220 -4.746 -8.537 1.00 0.07 C ATOM 902 O VAL A 56 70.207 -5.214 -9.661 1.00 0.09 O ATOM 903 CB VAL A 56 70.576 -2.300 -9.065 1.00 0.07 C ATOM 904 CG1 VAL A 56 69.076 -2.029 -8.851 1.00 0.07 C ATOM 905 CG2 VAL A 56 71.382 -1.065 -8.656 1.00 0.08 C ATOM 0 H VAL A 56 72.756 -3.276 -9.451 1.00 0.07 H new ATOM 0 HA VAL A 56 70.886 -3.297 -7.148 1.00 0.06 H new ATOM 0 HB VAL A 56 70.743 -2.526 -10.118 1.00 0.07 H new ATOM 0 HG11 VAL A 56 68.768 -1.181 -9.463 1.00 0.07 H new ATOM 0 HG12 VAL A 56 68.502 -2.911 -9.138 1.00 0.07 H new ATOM 0 HG13 VAL A 56 68.893 -1.803 -7.800 1.00 0.07 H new ATOM 0 HG21 VAL A 56 71.069 -0.211 -9.257 1.00 0.08 H new ATOM 0 HG22 VAL A 56 71.209 -0.850 -7.602 1.00 0.08 H new ATOM 0 HG23 VAL A 56 72.443 -1.253 -8.818 1.00 0.08 H new ATOM 915 N GLY A 57 69.530 -5.264 -7.559 1.00 0.07 N ATOM 916 CA GLY A 57 68.681 -6.468 -7.782 1.00 0.09 C ATOM 917 C GLY A 57 67.209 -6.066 -7.854 1.00 0.09 C ATOM 918 O GLY A 57 66.867 -4.901 -7.984 1.00 0.09 O ATOM 0 H GLY A 57 69.518 -4.901 -6.606 1.00 0.07 H new ATOM 0 HA2 GLY A 57 68.976 -6.965 -8.706 1.00 0.09 H new ATOM 0 HA3 GLY A 57 68.832 -7.184 -6.974 1.00 0.09 H new ATOM 922 N GLU A 58 66.336 -7.034 -7.774 1.00 0.12 N ATOM 923 CA GLU A 58 64.872 -6.743 -7.850 1.00 0.14 C ATOM 924 C GLU A 58 64.452 -5.838 -6.688 1.00 0.10 C ATOM 925 O GLU A 58 65.071 -5.825 -5.641 1.00 0.09 O ATOM 926 CB GLU A 58 64.182 -8.107 -7.748 1.00 0.19 C ATOM 927 CG GLU A 58 62.675 -7.943 -7.980 1.00 0.27 C ATOM 928 CD GLU A 58 61.945 -9.289 -7.811 1.00 0.63 C ATOM 929 OE1 GLU A 58 62.582 -10.264 -7.440 1.00 1.26 O ATOM 930 OE2 GLU A 58 60.750 -9.318 -8.061 1.00 1.44 O ATOM 0 H GLU A 58 66.574 -8.019 -7.659 1.00 0.12 H new ATOM 0 HA GLU A 58 64.604 -6.224 -8.770 1.00 0.14 H new ATOM 0 HB2 GLU A 58 64.600 -8.793 -8.485 1.00 0.19 H new ATOM 0 HB3 GLU A 58 64.363 -8.544 -6.766 1.00 0.19 H new ATOM 0 HG2 GLU A 58 62.271 -7.215 -7.277 1.00 0.27 H new ATOM 0 HG3 GLU A 58 62.497 -7.551 -8.982 1.00 0.27 H new ATOM 937 N GLN A 59 63.410 -5.069 -6.880 1.00 0.10 N ATOM 938 CA GLN A 59 62.921 -4.137 -5.809 1.00 0.08 C ATOM 939 C GLN A 59 64.039 -3.217 -5.291 1.00 0.07 C ATOM 940 O GLN A 59 63.867 -2.571 -4.271 1.00 0.07 O ATOM 941 CB GLN A 59 62.407 -5.040 -4.683 1.00 0.09 C ATOM 942 CG GLN A 59 61.058 -5.640 -5.086 1.00 0.19 C ATOM 943 CD GLN A 59 60.581 -6.601 -3.997 1.00 1.01 C ATOM 944 OE1 GLN A 59 60.040 -6.182 -2.993 1.00 1.34 O ATOM 945 NE2 GLN A 59 60.758 -7.884 -4.156 1.00 1.72 N ATOM 0 H GLN A 59 62.868 -5.045 -7.744 1.00 0.10 H new ATOM 0 HA GLN A 59 62.146 -3.476 -6.196 1.00 0.08 H new ATOM 0 HB2 GLN A 59 63.126 -5.835 -4.483 1.00 0.09 H new ATOM 0 HB3 GLN A 59 62.302 -4.467 -3.762 1.00 0.09 H new ATOM 0 HG2 GLN A 59 60.325 -4.847 -5.233 1.00 0.19 H new ATOM 0 HG3 GLN A 59 61.152 -6.167 -6.035 1.00 0.19 H new ATOM 0 HE21 GLN A 59 61.212 -8.236 -4.999 1.00 1.72 H new ATOM 0 HE22 GLN A 59 60.442 -8.535 -3.437 1.00 1.72 H new ATOM 954 N GLY A 60 65.098 -3.019 -6.054 1.00 0.07 N ATOM 955 CA GLY A 60 66.109 -1.982 -5.665 1.00 0.06 C ATOM 956 C GLY A 60 66.952 -2.461 -4.478 1.00 0.05 C ATOM 957 O GLY A 60 67.501 -1.654 -3.742 1.00 0.05 O ATOM 0 H GLY A 60 65.300 -3.525 -6.916 1.00 0.07 H new ATOM 0 HA2 GLY A 60 66.758 -1.764 -6.513 1.00 0.06 H new ATOM 0 HA3 GLY A 60 65.602 -1.053 -5.405 1.00 0.06 H new ATOM 961 N SER A 61 67.003 -3.751 -4.239 1.00 0.06 N ATOM 962 CA SER A 61 67.756 -4.268 -3.055 1.00 0.06 C ATOM 963 C SER A 61 69.261 -4.271 -3.343 1.00 0.06 C ATOM 964 O SER A 61 69.687 -4.537 -4.451 1.00 0.06 O ATOM 965 CB SER A 61 67.248 -5.694 -2.840 1.00 0.08 C ATOM 966 OG SER A 61 67.792 -6.542 -3.844 1.00 1.30 O ATOM 0 H SER A 61 66.556 -4.466 -4.813 1.00 0.06 H new ATOM 0 HA SER A 61 67.602 -3.648 -2.172 1.00 0.06 H new ATOM 0 HB2 SER A 61 67.537 -6.050 -1.851 1.00 0.08 H new ATOM 0 HB3 SER A 61 66.159 -5.715 -2.881 1.00 0.08 H new ATOM 0 HG SER A 61 67.470 -7.458 -3.709 1.00 1.30 H new ATOM 972 N VAL A 62 70.059 -4.065 -2.327 1.00 0.06 N ATOM 973 CA VAL A 62 71.543 -4.152 -2.486 1.00 0.07 C ATOM 974 C VAL A 62 72.148 -4.874 -1.273 1.00 0.08 C ATOM 975 O VAL A 62 71.604 -4.815 -0.185 1.00 0.07 O ATOM 976 CB VAL A 62 72.023 -2.697 -2.571 1.00 0.07 C ATOM 977 CG1 VAL A 62 71.642 -1.936 -1.297 1.00 0.07 C ATOM 978 CG2 VAL A 62 73.543 -2.669 -2.741 1.00 0.08 C ATOM 0 H VAL A 62 69.743 -3.838 -1.384 1.00 0.06 H new ATOM 0 HA VAL A 62 71.843 -4.715 -3.369 1.00 0.07 H new ATOM 0 HB VAL A 62 71.546 -2.219 -3.427 1.00 0.07 H new ATOM 0 HG11 VAL A 62 71.989 -0.905 -1.371 1.00 0.07 H new ATOM 0 HG12 VAL A 62 70.559 -1.947 -1.177 1.00 0.07 H new ATOM 0 HG13 VAL A 62 72.107 -2.414 -0.435 1.00 0.07 H new ATOM 0 HG21 VAL A 62 73.883 -1.635 -2.801 1.00 0.08 H new ATOM 0 HG22 VAL A 62 74.014 -3.157 -1.887 1.00 0.08 H new ATOM 0 HG23 VAL A 62 73.817 -3.195 -3.656 1.00 0.08 H new ATOM 988 N ILE A 63 73.202 -5.630 -1.474 1.00 0.08 N ATOM 989 CA ILE A 63 73.768 -6.448 -0.351 1.00 0.09 C ATOM 990 C ILE A 63 75.132 -5.900 0.085 1.00 0.09 C ATOM 991 O ILE A 63 76.085 -5.918 -0.673 1.00 0.09 O ATOM 992 CB ILE A 63 73.922 -7.869 -0.918 1.00 0.11 C ATOM 993 CG1 ILE A 63 72.575 -8.389 -1.460 1.00 0.13 C ATOM 994 CG2 ILE A 63 74.423 -8.809 0.184 1.00 0.11 C ATOM 995 CD1 ILE A 63 71.513 -8.395 -0.352 1.00 0.15 C ATOM 0 H ILE A 63 73.694 -5.716 -2.363 1.00 0.08 H new ATOM 0 HA ILE A 63 73.122 -6.425 0.527 1.00 0.09 H new ATOM 0 HB ILE A 63 74.641 -7.840 -1.737 1.00 0.11 H new ATOM 0 HG12 ILE A 63 72.243 -7.761 -2.286 1.00 0.13 H new ATOM 0 HG13 ILE A 63 72.701 -9.397 -1.856 1.00 0.13 H new ATOM 0 HG21 ILE A 63 74.532 -9.816 -0.219 1.00 0.11 H new ATOM 0 HG22 ILE A 63 75.388 -8.458 0.550 1.00 0.11 H new ATOM 0 HG23 ILE A 63 73.706 -8.822 1.005 1.00 0.11 H new ATOM 0 HD11 ILE A 63 70.570 -8.765 -0.754 1.00 0.15 H new ATOM 0 HD12 ILE A 63 71.840 -9.043 0.462 1.00 0.15 H new ATOM 0 HD13 ILE A 63 71.374 -7.382 0.024 1.00 0.15 H new ATOM 1007 N ILE A 64 75.262 -5.553 1.344 1.00 0.09 N ATOM 1008 CA ILE A 64 76.601 -5.164 1.892 1.00 0.10 C ATOM 1009 C ILE A 64 77.432 -6.432 2.165 1.00 0.09 C ATOM 1010 O ILE A 64 76.884 -7.438 2.557 1.00 0.09 O ATOM 1011 CB ILE A 64 76.295 -4.420 3.198 1.00 0.11 C ATOM 1012 CG1 ILE A 64 75.450 -3.176 2.896 1.00 0.13 C ATOM 1013 CG2 ILE A 64 77.602 -3.985 3.869 1.00 0.13 C ATOM 1014 CD1 ILE A 64 74.707 -2.746 4.161 1.00 0.14 C ATOM 0 H ILE A 64 74.496 -5.522 2.017 1.00 0.09 H new ATOM 0 HA ILE A 64 77.176 -4.544 1.204 1.00 0.10 H new ATOM 0 HB ILE A 64 75.747 -5.086 3.865 1.00 0.11 H new ATOM 0 HG12 ILE A 64 76.089 -2.366 2.543 1.00 0.13 H new ATOM 0 HG13 ILE A 64 74.739 -3.391 2.099 1.00 0.13 H new ATOM 0 HG21 ILE A 64 77.377 -3.457 4.796 1.00 0.13 H new ATOM 0 HG22 ILE A 64 78.208 -4.864 4.090 1.00 0.13 H new ATOM 0 HG23 ILE A 64 78.152 -3.324 3.199 1.00 0.13 H new ATOM 0 HD11 ILE A 64 74.106 -1.862 3.947 1.00 0.14 H new ATOM 0 HD12 ILE A 64 74.057 -3.555 4.494 1.00 0.14 H new ATOM 0 HD13 ILE A 64 75.428 -2.514 4.945 1.00 0.14 H new ATOM 1026 N PRO A 65 78.731 -6.361 1.953 1.00 0.10 N ATOM 1027 CA PRO A 65 79.602 -7.553 2.188 1.00 0.11 C ATOM 1028 C PRO A 65 79.598 -7.943 3.671 1.00 0.10 C ATOM 1029 O PRO A 65 79.747 -7.110 4.545 1.00 0.10 O ATOM 1030 CB PRO A 65 80.980 -7.066 1.746 1.00 0.12 C ATOM 1031 CG PRO A 65 80.907 -5.591 1.941 1.00 0.13 C ATOM 1032 CD PRO A 65 79.528 -5.207 1.496 1.00 0.12 C ATOM 0 HA PRO A 65 79.274 -8.443 1.651 1.00 0.11 H new ATOM 0 HB2 PRO A 65 81.774 -7.511 2.345 1.00 0.12 H new ATOM 0 HB3 PRO A 65 81.182 -7.324 0.706 1.00 0.12 H new ATOM 0 HG2 PRO A 65 81.074 -5.322 2.984 1.00 0.13 H new ATOM 0 HG3 PRO A 65 81.668 -5.077 1.354 1.00 0.13 H new ATOM 0 HD2 PRO A 65 79.196 -4.274 1.952 1.00 0.12 H new ATOM 0 HD3 PRO A 65 79.470 -5.072 0.416 1.00 0.12 H new ATOM 1040 N LYS A 66 79.431 -9.213 3.956 1.00 0.11 N ATOM 1041 CA LYS A 66 79.410 -9.686 5.383 1.00 0.12 C ATOM 1042 C LYS A 66 80.682 -9.251 6.119 1.00 0.11 C ATOM 1043 O LYS A 66 80.662 -8.978 7.305 1.00 0.11 O ATOM 1044 CB LYS A 66 79.338 -11.214 5.304 1.00 0.14 C ATOM 1045 CG LYS A 66 79.167 -11.789 6.712 1.00 0.52 C ATOM 1046 CD LYS A 66 79.154 -13.318 6.639 1.00 1.08 C ATOM 1047 CE LYS A 66 78.817 -13.891 8.018 1.00 1.55 C ATOM 1048 NZ LYS A 66 79.395 -15.263 8.015 1.00 2.29 N ATOM 0 H LYS A 66 79.307 -9.948 3.260 1.00 0.11 H new ATOM 0 HA LYS A 66 78.568 -9.264 5.933 1.00 0.12 H new ATOM 0 HB2 LYS A 66 78.504 -11.517 4.672 1.00 0.14 H new ATOM 0 HB3 LYS A 66 80.245 -11.609 4.846 1.00 0.14 H new ATOM 0 HG2 LYS A 66 79.979 -11.452 7.356 1.00 0.52 H new ATOM 0 HG3 LYS A 66 78.239 -11.427 7.154 1.00 0.52 H new ATOM 0 HD2 LYS A 66 78.420 -13.652 5.905 1.00 1.08 H new ATOM 0 HD3 LYS A 66 80.125 -13.685 6.308 1.00 1.08 H new ATOM 0 HE2 LYS A 66 79.247 -13.283 8.814 1.00 1.55 H new ATOM 0 HE3 LYS A 66 77.740 -13.917 8.183 1.00 1.55 H new ATOM 0 HZ1 LYS A 66 79.205 -15.722 8.929 1.00 2.29 H new ATOM 0 HZ2 LYS A 66 78.962 -15.820 7.251 1.00 2.29 H new ATOM 0 HZ3 LYS A 66 80.422 -15.207 7.863 1.00 2.29 H new ATOM 1062 N ALA A 67 81.790 -9.211 5.421 1.00 0.11 N ATOM 1063 CA ALA A 67 83.085 -8.825 6.073 1.00 0.11 C ATOM 1064 C ALA A 67 82.977 -7.425 6.683 1.00 0.10 C ATOM 1065 O ALA A 67 83.480 -7.166 7.765 1.00 0.11 O ATOM 1066 CB ALA A 67 84.126 -8.839 4.951 1.00 0.12 C ATOM 0 H ALA A 67 81.856 -9.429 4.427 1.00 0.11 H new ATOM 0 HA ALA A 67 83.351 -9.506 6.881 1.00 0.11 H new ATOM 0 HB1 ALA A 67 85.101 -8.565 5.355 1.00 0.12 H new ATOM 0 HB2 ALA A 67 84.180 -9.838 4.517 1.00 0.12 H new ATOM 0 HB3 ALA A 67 83.839 -8.124 4.180 1.00 0.12 H new ATOM 1072 N LEU A 68 82.289 -6.536 6.013 1.00 0.10 N ATOM 1073 CA LEU A 68 82.108 -5.156 6.557 1.00 0.11 C ATOM 1074 C LEU A 68 81.051 -5.151 7.662 1.00 0.10 C ATOM 1075 O LEU A 68 81.158 -4.401 8.614 1.00 0.11 O ATOM 1076 CB LEU A 68 81.667 -4.289 5.371 1.00 0.11 C ATOM 1077 CG LEU A 68 82.821 -4.133 4.367 1.00 0.12 C ATOM 1078 CD1 LEU A 68 82.364 -3.255 3.199 1.00 0.13 C ATOM 1079 CD2 LEU A 68 84.025 -3.464 5.045 1.00 0.13 C ATOM 0 H LEU A 68 81.844 -6.707 5.111 1.00 0.10 H new ATOM 0 HA LEU A 68 83.028 -4.775 7.002 1.00 0.11 H new ATOM 0 HB2 LEU A 68 80.807 -4.743 4.879 1.00 0.11 H new ATOM 0 HB3 LEU A 68 81.350 -3.309 5.726 1.00 0.11 H new ATOM 0 HG LEU A 68 83.109 -5.120 4.006 1.00 0.12 H new ATOM 0 HD11 LEU A 68 83.181 -3.143 2.486 1.00 0.13 H new ATOM 0 HD12 LEU A 68 81.512 -3.722 2.704 1.00 0.13 H new ATOM 0 HD13 LEU A 68 82.073 -2.274 3.574 1.00 0.13 H new ATOM 0 HD21 LEU A 68 84.836 -3.359 4.325 1.00 0.13 H new ATOM 0 HD22 LEU A 68 83.735 -2.479 5.412 1.00 0.13 H new ATOM 0 HD23 LEU A 68 84.360 -4.078 5.881 1.00 0.13 H new ATOM 1091 N ARG A 69 80.047 -6.001 7.570 1.00 0.09 N ATOM 1092 CA ARG A 69 79.004 -6.052 8.652 1.00 0.09 C ATOM 1093 C ARG A 69 79.667 -6.349 9.999 1.00 0.10 C ATOM 1094 O ARG A 69 79.316 -5.779 11.016 1.00 0.11 O ATOM 1095 CB ARG A 69 78.083 -7.232 8.315 1.00 0.09 C ATOM 1096 CG ARG A 69 77.468 -7.104 6.919 1.00 0.08 C ATOM 1097 CD ARG A 69 76.380 -8.177 6.782 1.00 0.08 C ATOM 1098 NE ARG A 69 76.336 -8.541 5.330 1.00 0.08 N ATOM 1099 CZ ARG A 69 75.882 -9.717 4.923 1.00 0.08 C ATOM 1100 NH1 ARG A 69 75.410 -10.613 5.763 1.00 0.09 N ATOM 1101 NH2 ARG A 69 75.891 -9.992 3.649 1.00 0.09 N ATOM 0 H ARG A 69 79.906 -6.655 6.800 1.00 0.09 H new ATOM 0 HA ARG A 69 78.467 -5.105 8.712 1.00 0.09 H new ATOM 0 HB2 ARG A 69 78.649 -8.162 8.377 1.00 0.09 H new ATOM 0 HB3 ARG A 69 77.287 -7.293 9.057 1.00 0.09 H new ATOM 0 HG2 ARG A 69 77.043 -6.110 6.779 1.00 0.08 H new ATOM 0 HG3 ARG A 69 78.232 -7.235 6.152 1.00 0.08 H new ATOM 0 HD2 ARG A 69 76.612 -9.048 7.395 1.00 0.08 H new ATOM 0 HD3 ARG A 69 75.415 -7.798 7.118 1.00 0.08 H new ATOM 0 HE ARG A 69 76.663 -7.867 4.638 1.00 0.08 H new ATOM 0 HH11 ARG A 69 75.386 -10.412 6.763 1.00 0.09 H new ATOM 0 HH12 ARG A 69 75.068 -11.509 5.414 1.00 0.09 H new ATOM 0 HH21 ARG A 69 76.244 -9.306 2.982 1.00 0.09 H new ATOM 0 HH22 ARG A 69 75.545 -10.893 3.319 1.00 0.09 H new ATOM 1115 N ASP A 70 80.557 -7.310 10.013 1.00 0.10 N ATOM 1116 CA ASP A 70 81.182 -7.748 11.299 1.00 0.11 C ATOM 1117 C ASP A 70 82.124 -6.670 11.829 1.00 0.12 C ATOM 1118 O ASP A 70 82.088 -6.328 12.996 1.00 0.12 O ATOM 1119 CB ASP A 70 81.964 -9.022 10.961 1.00 0.11 C ATOM 1120 CG ASP A 70 80.999 -10.121 10.501 1.00 0.70 C ATOM 1121 OD1 ASP A 70 79.861 -10.113 10.943 1.00 1.49 O ATOM 1122 OD2 ASP A 70 81.419 -10.957 9.719 1.00 1.37 O ATOM 0 H ASP A 70 80.879 -7.812 9.185 1.00 0.10 H new ATOM 0 HA ASP A 70 80.434 -7.925 12.072 1.00 0.11 H new ATOM 0 HB2 ASP A 70 82.693 -8.815 10.177 1.00 0.11 H new ATOM 0 HB3 ASP A 70 82.522 -9.359 11.834 1.00 0.11 H new ATOM 1127 N VAL A 71 82.972 -6.138 10.982 1.00 0.12 N ATOM 1128 CA VAL A 71 83.950 -5.097 11.444 1.00 0.14 C ATOM 1129 C VAL A 71 83.195 -3.879 11.995 1.00 0.15 C ATOM 1130 O VAL A 71 83.632 -3.241 12.935 1.00 0.16 O ATOM 1131 CB VAL A 71 84.758 -4.727 10.188 1.00 0.15 C ATOM 1132 CG1 VAL A 71 85.730 -3.582 10.495 1.00 0.17 C ATOM 1133 CG2 VAL A 71 85.552 -5.948 9.720 1.00 0.15 C ATOM 0 H VAL A 71 83.031 -6.378 9.992 1.00 0.12 H new ATOM 0 HA VAL A 71 84.597 -5.453 12.245 1.00 0.14 H new ATOM 0 HB VAL A 71 84.068 -4.407 9.407 1.00 0.15 H new ATOM 0 HG11 VAL A 71 86.294 -3.332 9.596 1.00 0.17 H new ATOM 0 HG12 VAL A 71 85.169 -2.708 10.826 1.00 0.17 H new ATOM 0 HG13 VAL A 71 86.419 -3.890 11.281 1.00 0.17 H new ATOM 0 HG21 VAL A 71 86.126 -5.690 8.830 1.00 0.15 H new ATOM 0 HG22 VAL A 71 86.232 -6.265 10.511 1.00 0.15 H new ATOM 0 HG23 VAL A 71 84.865 -6.761 9.485 1.00 0.15 H new ATOM 1143 N ILE A 72 82.106 -3.526 11.371 1.00 0.14 N ATOM 1144 CA ILE A 72 81.347 -2.308 11.795 1.00 0.15 C ATOM 1145 C ILE A 72 80.419 -2.625 12.984 1.00 0.15 C ATOM 1146 O ILE A 72 80.032 -1.734 13.720 1.00 0.17 O ATOM 1147 CB ILE A 72 80.539 -1.892 10.554 1.00 0.15 C ATOM 1148 CG1 ILE A 72 81.498 -1.601 9.392 1.00 0.16 C ATOM 1149 CG2 ILE A 72 79.728 -0.625 10.854 1.00 0.17 C ATOM 1150 CD1 ILE A 72 80.696 -1.345 8.114 1.00 0.17 C ATOM 0 H ILE A 72 81.704 -4.030 10.580 1.00 0.14 H new ATOM 0 HA ILE A 72 82.008 -1.510 12.134 1.00 0.15 H new ATOM 0 HB ILE A 72 79.862 -2.704 10.287 1.00 0.15 H new ATOM 0 HG12 ILE A 72 82.115 -0.733 9.626 1.00 0.16 H new ATOM 0 HG13 ILE A 72 82.174 -2.443 9.246 1.00 0.16 H new ATOM 0 HG21 ILE A 72 79.160 -0.339 9.969 1.00 0.17 H new ATOM 0 HG22 ILE A 72 79.042 -0.819 11.679 1.00 0.17 H new ATOM 0 HG23 ILE A 72 80.405 0.184 11.128 1.00 0.17 H new ATOM 0 HD11 ILE A 72 81.380 -1.139 7.291 1.00 0.17 H new ATOM 0 HD12 ILE A 72 80.098 -2.225 7.877 1.00 0.17 H new ATOM 0 HD13 ILE A 72 80.038 -0.489 8.263 1.00 0.17 H new ATOM 1162 N GLY A 73 80.129 -3.889 13.235 1.00 0.14 N ATOM 1163 CA GLY A 73 79.309 -4.246 14.436 1.00 0.15 C ATOM 1164 C GLY A 73 77.830 -3.953 14.161 1.00 0.15 C ATOM 1165 O GLY A 73 77.125 -3.452 15.018 1.00 0.17 O ATOM 0 H GLY A 73 80.425 -4.679 12.661 1.00 0.14 H new ATOM 0 HA2 GLY A 73 79.441 -5.301 14.678 1.00 0.15 H new ATOM 0 HA3 GLY A 73 79.647 -3.676 15.301 1.00 0.15 H new ATOM 1169 N ILE A 74 77.391 -4.155 12.941 1.00 0.13 N ATOM 1170 CA ILE A 74 75.991 -3.768 12.565 1.00 0.14 C ATOM 1171 C ILE A 74 75.022 -4.929 12.825 1.00 0.14 C ATOM 1172 O ILE A 74 75.367 -6.085 12.668 1.00 0.15 O ATOM 1173 CB ILE A 74 76.046 -3.441 11.065 1.00 0.14 C ATOM 1174 CG1 ILE A 74 77.088 -2.339 10.792 1.00 0.15 C ATOM 1175 CG2 ILE A 74 74.668 -2.968 10.593 1.00 0.16 C ATOM 1176 CD1 ILE A 74 76.744 -1.063 11.573 1.00 0.18 C ATOM 0 H ILE A 74 77.940 -4.571 12.189 1.00 0.13 H new ATOM 0 HA ILE A 74 75.635 -2.922 13.152 1.00 0.14 H new ATOM 0 HB ILE A 74 76.334 -4.340 10.520 1.00 0.14 H new ATOM 0 HG12 ILE A 74 78.080 -2.690 11.078 1.00 0.15 H new ATOM 0 HG13 ILE A 74 77.122 -2.120 9.725 1.00 0.15 H new ATOM 0 HG21 ILE A 74 74.708 -2.736 9.529 1.00 0.16 H new ATOM 0 HG22 ILE A 74 73.934 -3.755 10.766 1.00 0.16 H new ATOM 0 HG23 ILE A 74 74.380 -2.075 11.148 1.00 0.16 H new ATOM 0 HD11 ILE A 74 77.492 -0.297 11.367 1.00 0.18 H new ATOM 0 HD12 ILE A 74 75.762 -0.703 11.267 1.00 0.18 H new ATOM 0 HD13 ILE A 74 76.734 -1.282 12.641 1.00 0.18 H new ATOM 1188 N LYS A 75 73.830 -4.618 13.274 1.00 0.15 N ATOM 1189 CA LYS A 75 72.838 -5.686 13.612 1.00 0.17 C ATOM 1190 C LYS A 75 71.484 -5.410 12.925 1.00 0.14 C ATOM 1191 O LYS A 75 71.175 -4.277 12.609 1.00 0.14 O ATOM 1192 CB LYS A 75 72.689 -5.613 15.132 1.00 0.25 C ATOM 1193 CG LYS A 75 73.871 -6.324 15.797 1.00 1.12 C ATOM 1194 CD LYS A 75 74.248 -5.593 17.089 1.00 1.44 C ATOM 1195 CE LYS A 75 75.682 -5.954 17.480 1.00 1.89 C ATOM 1196 NZ LYS A 75 76.276 -4.683 17.979 1.00 2.54 N ATOM 0 H LYS A 75 73.500 -3.664 13.422 1.00 0.15 H new ATOM 0 HA LYS A 75 73.164 -6.670 13.274 1.00 0.17 H new ATOM 0 HB2 LYS A 75 72.649 -4.573 15.454 1.00 0.25 H new ATOM 0 HB3 LYS A 75 71.752 -6.078 15.439 1.00 0.25 H new ATOM 0 HG2 LYS A 75 73.610 -7.359 16.016 1.00 1.12 H new ATOM 0 HG3 LYS A 75 74.723 -6.347 15.118 1.00 1.12 H new ATOM 0 HD2 LYS A 75 74.158 -4.516 16.949 1.00 1.44 H new ATOM 0 HD3 LYS A 75 73.561 -5.869 17.889 1.00 1.44 H new ATOM 0 HE2 LYS A 75 75.699 -6.726 18.249 1.00 1.89 H new ATOM 0 HE3 LYS A 75 76.238 -6.342 16.627 1.00 1.89 H new ATOM 0 HZ1 LYS A 75 77.087 -4.897 18.594 1.00 2.54 H new ATOM 0 HZ2 LYS A 75 76.595 -4.109 17.173 1.00 2.54 H new ATOM 0 HZ3 LYS A 75 75.561 -4.154 18.519 1.00 2.54 H new ATOM 1210 N PRO A 76 70.684 -6.451 12.747 1.00 0.15 N ATOM 1211 CA PRO A 76 69.339 -6.273 12.133 1.00 0.13 C ATOM 1212 C PRO A 76 68.508 -5.231 12.901 1.00 0.12 C ATOM 1213 O PRO A 76 68.383 -5.294 14.110 1.00 0.14 O ATOM 1214 CB PRO A 76 68.688 -7.652 12.240 1.00 0.16 C ATOM 1215 CG PRO A 76 69.811 -8.618 12.451 1.00 0.46 C ATOM 1216 CD PRO A 76 70.948 -7.863 13.084 1.00 0.21 C ATOM 0 HA PRO A 76 69.405 -5.913 11.106 1.00 0.13 H new ATOM 0 HB2 PRO A 76 67.981 -7.687 13.069 1.00 0.16 H new ATOM 0 HB3 PRO A 76 68.130 -7.892 11.335 1.00 0.16 H new ATOM 0 HG2 PRO A 76 69.493 -9.440 13.092 1.00 0.46 H new ATOM 0 HG3 PRO A 76 70.123 -9.056 11.503 1.00 0.46 H new ATOM 0 HD2 PRO A 76 70.974 -8.016 14.163 1.00 0.21 H new ATOM 0 HD3 PRO A 76 71.910 -8.192 12.692 1.00 0.21 H new ATOM 1224 N GLY A 77 67.875 -4.328 12.190 1.00 0.12 N ATOM 1225 CA GLY A 77 66.968 -3.335 12.847 1.00 0.13 C ATOM 1226 C GLY A 77 67.726 -2.043 13.210 1.00 0.13 C ATOM 1227 O GLY A 77 67.141 -1.121 13.748 1.00 0.15 O ATOM 0 H GLY A 77 67.949 -4.236 11.177 1.00 0.12 H new ATOM 0 HA2 GLY A 77 66.139 -3.098 12.180 1.00 0.13 H new ATOM 0 HA3 GLY A 77 66.537 -3.772 13.748 1.00 0.13 H new ATOM 1231 N GLU A 78 69.008 -1.958 12.916 1.00 0.12 N ATOM 1232 CA GLU A 78 69.778 -0.713 13.240 1.00 0.13 C ATOM 1233 C GLU A 78 69.880 0.187 12.015 1.00 0.12 C ATOM 1234 O GLU A 78 70.101 -0.284 10.914 1.00 0.11 O ATOM 1235 CB GLU A 78 71.160 -1.187 13.679 1.00 0.16 C ATOM 1236 CG GLU A 78 71.168 -1.380 15.198 1.00 0.25 C ATOM 1237 CD GLU A 78 72.585 -1.713 15.682 1.00 0.30 C ATOM 1238 OE1 GLU A 78 73.358 -2.234 14.894 1.00 0.24 O ATOM 1239 OE2 GLU A 78 72.872 -1.440 16.836 1.00 0.42 O ATOM 0 H GLU A 78 69.550 -2.696 12.467 1.00 0.12 H new ATOM 0 HA GLU A 78 69.290 -0.128 14.019 1.00 0.13 H new ATOM 0 HB2 GLU A 78 71.412 -2.123 13.180 1.00 0.16 H new ATOM 0 HB3 GLU A 78 71.917 -0.458 13.389 1.00 0.16 H new ATOM 0 HG2 GLU A 78 70.812 -0.474 15.689 1.00 0.25 H new ATOM 0 HG3 GLU A 78 70.484 -2.182 15.474 1.00 0.25 H new ATOM 1246 N VAL A 79 69.640 1.462 12.189 1.00 0.12 N ATOM 1247 CA VAL A 79 69.613 2.391 11.020 1.00 0.11 C ATOM 1248 C VAL A 79 70.992 3.014 10.776 1.00 0.11 C ATOM 1249 O VAL A 79 71.611 3.564 11.667 1.00 0.15 O ATOM 1250 CB VAL A 79 68.578 3.465 11.393 1.00 0.12 C ATOM 1251 CG1 VAL A 79 69.023 4.226 12.657 1.00 0.14 C ATOM 1252 CG2 VAL A 79 68.421 4.445 10.224 1.00 0.13 C ATOM 0 H VAL A 79 69.461 1.900 13.093 1.00 0.12 H new ATOM 0 HA VAL A 79 69.352 1.876 10.096 1.00 0.11 H new ATOM 0 HB VAL A 79 67.623 2.982 11.598 1.00 0.12 H new ATOM 0 HG11 VAL A 79 68.279 4.982 12.907 1.00 0.14 H new ATOM 0 HG12 VAL A 79 69.122 3.526 13.487 1.00 0.14 H new ATOM 0 HG13 VAL A 79 69.983 4.708 12.472 1.00 0.14 H new ATOM 0 HG21 VAL A 79 67.688 5.208 10.485 1.00 0.13 H new ATOM 0 HG22 VAL A 79 69.380 4.919 10.016 1.00 0.13 H new ATOM 0 HG23 VAL A 79 68.084 3.905 9.339 1.00 0.13 H new ATOM 1262 N ILE A 80 71.422 3.003 9.542 1.00 0.09 N ATOM 1263 CA ILE A 80 72.701 3.668 9.162 1.00 0.09 C ATOM 1264 C ILE A 80 72.425 4.725 8.085 1.00 0.08 C ATOM 1265 O ILE A 80 71.455 4.632 7.352 1.00 0.09 O ATOM 1266 CB ILE A 80 73.601 2.544 8.618 1.00 0.09 C ATOM 1267 CG1 ILE A 80 72.935 1.886 7.404 1.00 0.10 C ATOM 1268 CG2 ILE A 80 73.827 1.494 9.708 1.00 0.11 C ATOM 1269 CD1 ILE A 80 73.893 0.870 6.777 1.00 0.11 C ATOM 0 H ILE A 80 70.932 2.553 8.769 1.00 0.09 H new ATOM 0 HA ILE A 80 73.175 4.178 10.000 1.00 0.09 H new ATOM 0 HB ILE A 80 74.559 2.967 8.317 1.00 0.09 H new ATOM 0 HG12 ILE A 80 72.012 1.391 7.707 1.00 0.10 H new ATOM 0 HG13 ILE A 80 72.663 2.645 6.670 1.00 0.10 H new ATOM 0 HG21 ILE A 80 74.464 0.699 9.321 1.00 0.11 H new ATOM 0 HG22 ILE A 80 74.309 1.960 10.567 1.00 0.11 H new ATOM 0 HG23 ILE A 80 72.868 1.074 10.013 1.00 0.11 H new ATOM 0 HD11 ILE A 80 73.416 0.404 5.915 1.00 0.11 H new ATOM 0 HD12 ILE A 80 74.804 1.377 6.458 1.00 0.11 H new ATOM 0 HD13 ILE A 80 74.142 0.104 7.511 1.00 0.11 H new ATOM 1281 N GLU A 81 73.316 5.664 7.932 1.00 0.08 N ATOM 1282 CA GLU A 81 73.179 6.673 6.843 1.00 0.08 C ATOM 1283 C GLU A 81 74.040 6.245 5.659 1.00 0.07 C ATOM 1284 O GLU A 81 75.140 5.754 5.835 1.00 0.07 O ATOM 1285 CB GLU A 81 73.697 7.978 7.447 1.00 0.09 C ATOM 1286 CG GLU A 81 73.518 9.117 6.442 1.00 0.12 C ATOM 1287 CD GLU A 81 74.138 10.396 7.007 1.00 0.15 C ATOM 1288 OE1 GLU A 81 73.630 10.887 8.003 1.00 1.13 O ATOM 1289 OE2 GLU A 81 75.108 10.863 6.435 1.00 1.05 O ATOM 0 H GLU A 81 74.142 5.777 8.520 1.00 0.08 H new ATOM 0 HA GLU A 81 72.155 6.780 6.484 1.00 0.08 H new ATOM 0 HB2 GLU A 81 73.158 8.204 8.367 1.00 0.09 H new ATOM 0 HB3 GLU A 81 74.749 7.875 7.711 1.00 0.09 H new ATOM 0 HG2 GLU A 81 73.991 8.858 5.495 1.00 0.12 H new ATOM 0 HG3 GLU A 81 72.459 9.273 6.237 1.00 0.12 H new ATOM 1296 N VAL A 82 73.473 6.262 4.481 1.00 0.07 N ATOM 1297 CA VAL A 82 74.166 5.674 3.300 1.00 0.06 C ATOM 1298 C VAL A 82 74.476 6.763 2.271 1.00 0.06 C ATOM 1299 O VAL A 82 73.616 7.534 1.887 1.00 0.07 O ATOM 1300 CB VAL A 82 73.174 4.646 2.741 1.00 0.06 C ATOM 1301 CG1 VAL A 82 73.759 3.982 1.495 1.00 0.06 C ATOM 1302 CG2 VAL A 82 72.907 3.570 3.796 1.00 0.07 C ATOM 0 H VAL A 82 72.554 6.661 4.287 1.00 0.07 H new ATOM 0 HA VAL A 82 75.121 5.216 3.557 1.00 0.06 H new ATOM 0 HB VAL A 82 72.245 5.154 2.482 1.00 0.06 H new ATOM 0 HG11 VAL A 82 73.049 3.253 1.104 1.00 0.06 H new ATOM 0 HG12 VAL A 82 73.956 4.740 0.737 1.00 0.06 H new ATOM 0 HG13 VAL A 82 74.690 3.478 1.754 1.00 0.06 H new ATOM 0 HG21 VAL A 82 72.202 2.839 3.400 1.00 0.07 H new ATOM 0 HG22 VAL A 82 73.842 3.071 4.052 1.00 0.07 H new ATOM 0 HG23 VAL A 82 72.487 4.032 4.689 1.00 0.07 H new ATOM 1312 N LEU A 83 75.699 6.808 1.819 1.00 0.06 N ATOM 1313 CA LEU A 83 76.106 7.822 0.799 1.00 0.06 C ATOM 1314 C LEU A 83 76.524 7.105 -0.487 1.00 0.06 C ATOM 1315 O LEU A 83 77.396 6.259 -0.456 1.00 0.06 O ATOM 1316 CB LEU A 83 77.333 8.546 1.389 1.00 0.07 C ATOM 1317 CG LEU A 83 77.073 9.021 2.826 1.00 0.08 C ATOM 1318 CD1 LEU A 83 78.323 9.721 3.358 1.00 0.09 C ATOM 1319 CD2 LEU A 83 75.892 9.990 2.843 1.00 0.09 C ATOM 0 H LEU A 83 76.445 6.178 2.115 1.00 0.06 H new ATOM 0 HA LEU A 83 75.294 8.512 0.570 1.00 0.06 H new ATOM 0 HB2 LEU A 83 78.192 7.875 1.377 1.00 0.07 H new ATOM 0 HB3 LEU A 83 77.587 9.401 0.763 1.00 0.07 H new ATOM 0 HG LEU A 83 76.838 8.164 3.457 1.00 0.08 H new ATOM 0 HD11 LEU A 83 78.144 10.060 4.378 1.00 0.09 H new ATOM 0 HD12 LEU A 83 79.162 9.025 3.349 1.00 0.09 H new ATOM 0 HD13 LEU A 83 78.557 10.578 2.726 1.00 0.09 H new ATOM 0 HD21 LEU A 83 75.711 10.325 3.864 1.00 0.09 H new ATOM 0 HD22 LEU A 83 76.119 10.851 2.214 1.00 0.09 H new ATOM 0 HD23 LEU A 83 75.003 9.487 2.463 1.00 0.09 H new ATOM 1331 N LEU A 84 76.018 7.523 -1.621 1.00 0.06 N ATOM 1332 CA LEU A 84 76.514 6.956 -2.916 1.00 0.06 C ATOM 1333 C LEU A 84 77.827 7.630 -3.312 1.00 0.07 C ATOM 1334 O LEU A 84 78.017 8.810 -3.085 1.00 0.09 O ATOM 1335 CB LEU A 84 75.425 7.257 -3.936 1.00 0.07 C ATOM 1336 CG LEU A 84 74.386 6.135 -3.909 1.00 0.08 C ATOM 1337 CD1 LEU A 84 73.006 6.691 -4.288 1.00 0.10 C ATOM 1338 CD2 LEU A 84 74.799 5.054 -4.914 1.00 0.08 C ATOM 0 H LEU A 84 75.287 8.229 -1.707 1.00 0.06 H new ATOM 0 HA LEU A 84 76.711 5.886 -2.848 1.00 0.06 H new ATOM 0 HB2 LEU A 84 74.952 8.212 -3.709 1.00 0.07 H new ATOM 0 HB3 LEU A 84 75.858 7.344 -4.933 1.00 0.07 H new ATOM 0 HG LEU A 84 74.332 5.710 -2.907 1.00 0.08 H new ATOM 0 HD11 LEU A 84 72.271 5.886 -4.267 1.00 0.10 H new ATOM 0 HD12 LEU A 84 72.718 7.465 -3.577 1.00 0.10 H new ATOM 0 HD13 LEU A 84 73.048 7.117 -5.290 1.00 0.10 H new ATOM 0 HD21 LEU A 84 74.065 4.248 -4.904 1.00 0.08 H new ATOM 0 HD22 LEU A 84 74.849 5.486 -5.913 1.00 0.08 H new ATOM 0 HD23 LEU A 84 75.777 4.658 -4.641 1.00 0.08 H new ATOM 1350 N LEU A 85 78.748 6.876 -3.858 1.00 0.07 N ATOM 1351 CA LEU A 85 80.076 7.449 -4.224 1.00 0.08 C ATOM 1352 C LEU A 85 80.249 7.497 -5.745 1.00 0.07 C ATOM 1353 O LEU A 85 80.936 8.359 -6.264 1.00 0.11 O ATOM 1354 CB LEU A 85 81.100 6.510 -3.586 1.00 0.12 C ATOM 1355 CG LEU A 85 81.425 6.999 -2.173 1.00 0.19 C ATOM 1356 CD1 LEU A 85 82.066 5.863 -1.374 1.00 0.21 C ATOM 1357 CD2 LEU A 85 82.400 8.177 -2.256 1.00 0.34 C ATOM 0 H LEU A 85 78.635 5.884 -4.066 1.00 0.07 H new ATOM 0 HA LEU A 85 80.190 8.475 -3.873 1.00 0.08 H new ATOM 0 HB2 LEU A 85 80.706 5.494 -3.550 1.00 0.12 H new ATOM 0 HB3 LEU A 85 82.007 6.479 -4.190 1.00 0.12 H new ATOM 0 HG LEU A 85 80.508 7.318 -1.678 1.00 0.19 H new ATOM 0 HD11 LEU A 85 82.297 6.212 -0.368 1.00 0.21 H new ATOM 0 HD12 LEU A 85 81.374 5.023 -1.317 1.00 0.21 H new ATOM 0 HD13 LEU A 85 82.984 5.544 -1.868 1.00 0.21 H new ATOM 0 HD21 LEU A 85 82.633 8.528 -1.251 1.00 0.34 H new ATOM 0 HD22 LEU A 85 83.317 7.856 -2.750 1.00 0.34 H new ATOM 0 HD23 LEU A 85 81.945 8.987 -2.826 1.00 0.34 H new ATOM 1369 N GLY A 86 79.676 6.551 -6.460 1.00 0.06 N ATOM 1370 CA GLY A 86 79.867 6.524 -7.951 1.00 0.10 C ATOM 1371 C GLY A 86 78.907 5.528 -8.610 1.00 0.08 C ATOM 1372 O GLY A 86 78.097 4.906 -7.954 1.00 0.05 O ATOM 0 H GLY A 86 79.092 5.806 -6.081 1.00 0.06 H new ATOM 0 HA2 GLY A 86 79.700 7.520 -8.361 1.00 0.10 H new ATOM 0 HA3 GLY A 86 80.896 6.251 -8.184 1.00 0.10 H new ATOM 1376 N HIS A 87 78.997 5.384 -9.915 1.00 0.11 N ATOM 1377 CA HIS A 87 78.090 4.437 -10.645 1.00 0.12 C ATOM 1378 C HIS A 87 78.799 3.852 -11.878 1.00 0.14 C ATOM 1379 O HIS A 87 79.601 4.515 -12.510 1.00 0.20 O ATOM 1380 CB HIS A 87 76.879 5.283 -11.074 1.00 0.14 C ATOM 1381 CG HIS A 87 77.320 6.437 -11.941 1.00 0.18 C ATOM 1382 ND1 HIS A 87 77.256 6.389 -13.324 1.00 0.23 N ATOM 1383 CD2 HIS A 87 77.831 7.673 -11.632 1.00 0.27 C ATOM 1384 CE1 HIS A 87 77.719 7.563 -13.792 1.00 0.23 C ATOM 1385 NE2 HIS A 87 78.082 8.382 -12.802 1.00 0.26 N ATOM 0 H HIS A 87 79.662 5.883 -10.506 1.00 0.11 H new ATOM 0 HA HIS A 87 77.797 3.594 -10.019 1.00 0.12 H new ATOM 0 HB2 HIS A 87 76.169 4.662 -11.619 1.00 0.14 H new ATOM 0 HB3 HIS A 87 76.361 5.660 -10.192 1.00 0.14 H new ATOM 0 HD2 HIS A 87 78.011 8.039 -10.632 1.00 0.27 H new ATOM 0 HE1 HIS A 87 77.788 7.812 -14.841 1.00 0.23 H new ATOM 0 HE2 HIS A 87 78.462 9.325 -12.886 1.00 0.26 H new ATOM 1393 N TYR A 88 78.433 2.653 -12.274 1.00 0.11 N ATOM 1394 CA TYR A 88 78.995 2.062 -13.526 1.00 0.15 C ATOM 1395 C TYR A 88 77.867 1.464 -14.372 1.00 0.16 C ATOM 1396 O TYR A 88 76.950 0.854 -13.850 1.00 0.13 O ATOM 1397 CB TYR A 88 79.958 0.972 -13.057 1.00 0.16 C ATOM 1398 CG TYR A 88 81.076 1.597 -12.259 1.00 0.21 C ATOM 1399 CD1 TYR A 88 82.268 2.044 -12.921 1.00 0.48 C ATOM 1400 CD2 TYR A 88 80.947 1.746 -10.837 1.00 0.29 C ATOM 1401 CE1 TYR A 88 83.330 2.640 -12.163 1.00 0.56 C ATOM 1402 CE2 TYR A 88 82.011 2.341 -10.079 1.00 0.33 C ATOM 1403 CZ TYR A 88 83.202 2.787 -10.742 1.00 0.39 C ATOM 1404 OH TYR A 88 84.224 3.360 -10.012 1.00 0.48 O ATOM 0 H TYR A 88 77.767 2.059 -11.780 1.00 0.11 H new ATOM 0 HA TYR A 88 79.500 2.803 -14.146 1.00 0.15 H new ATOM 0 HB2 TYR A 88 79.427 0.240 -12.448 1.00 0.16 H new ATOM 0 HB3 TYR A 88 80.365 0.437 -13.915 1.00 0.16 H new ATOM 0 HD1 TYR A 88 82.366 1.932 -13.991 1.00 0.48 H new ATOM 0 HD2 TYR A 88 80.050 1.411 -10.338 1.00 0.29 H new ATOM 0 HE1 TYR A 88 84.226 2.978 -12.662 1.00 0.56 H new ATOM 0 HE2 TYR A 88 81.915 2.453 -9.009 1.00 0.33 H new ATOM 0 HH TYR A 88 83.928 3.498 -9.088 1.00 0.48 H new