USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 657 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 44 THR OG1 : rot 180:sc= 0.24 USER MOD Set 1.2: A 67 SER OG : rot 64:sc= -1.66! USER MOD Set 2.1: A 13 SER OG : rot 180:sc= -0.407 USER MOD Set 2.2: A 75 THR OG1 : rot -78:sc= -0.0324 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.162) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= 1.24 (180deg=0.383) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 51 SER OG : rot 25:sc= 0.833 USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0961) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 77.968 2.702 -22.023 1.00 0.00 N ATOM 2 CA GLU A 8 78.228 1.243 -21.819 1.00 0.00 C ATOM 3 C GLU A 8 79.315 1.044 -20.759 1.00 0.00 C ATOM 4 O GLU A 8 80.188 1.880 -20.598 1.00 0.00 O ATOM 5 CB GLU A 8 78.706 0.734 -23.180 1.00 0.00 C ATOM 6 CG GLU A 8 78.780 -0.794 -23.160 1.00 0.00 C ATOM 7 CD GLU A 8 79.374 -1.296 -24.477 1.00 0.00 C ATOM 8 OE1 GLU A 8 78.956 -0.811 -25.516 1.00 0.00 O ATOM 9 OE2 GLU A 8 80.236 -2.157 -24.425 1.00 0.00 O ATOM 0 HA GLU A 8 77.344 0.709 -21.471 1.00 0.00 H new ATOM 0 HB2 GLU A 8 78.024 1.065 -23.963 1.00 0.00 H new ATOM 0 HB3 GLU A 8 79.685 1.152 -23.413 1.00 0.00 H new ATOM 0 HG2 GLU A 8 79.393 -1.128 -22.322 1.00 0.00 H new ATOM 0 HG3 GLU A 8 77.785 -1.215 -23.014 1.00 0.00 H new ATOM 16 N GLY A 9 79.261 -0.057 -20.042 1.00 0.00 N ATOM 17 CA GLY A 9 80.281 -0.337 -18.985 1.00 0.00 C ATOM 18 C GLY A 9 79.602 -0.990 -17.779 1.00 0.00 C ATOM 19 O GLY A 9 78.730 -1.828 -17.933 1.00 0.00 O ATOM 0 H GLY A 9 78.547 -0.777 -20.147 1.00 0.00 H new ATOM 0 HA2 GLY A 9 81.057 -0.994 -19.378 1.00 0.00 H new ATOM 0 HA3 GLY A 9 80.770 0.589 -18.683 1.00 0.00 H new ATOM 23 N VAL A 10 80.001 -0.609 -16.585 1.00 0.00 N ATOM 24 CA VAL A 10 79.401 -1.203 -15.345 1.00 0.00 C ATOM 25 C VAL A 10 78.171 -0.381 -14.934 1.00 0.00 C ATOM 26 O VAL A 10 78.163 0.832 -15.058 1.00 0.00 O ATOM 27 CB VAL A 10 80.504 -1.133 -14.268 1.00 0.00 C ATOM 28 CG1 VAL A 10 80.001 -1.743 -12.953 1.00 0.00 C ATOM 29 CG2 VAL A 10 81.740 -1.920 -14.725 1.00 0.00 C ATOM 0 H VAL A 10 80.722 0.093 -16.417 1.00 0.00 H new ATOM 0 HA VAL A 10 79.071 -2.231 -15.491 1.00 0.00 H new ATOM 0 HB VAL A 10 80.764 -0.085 -14.116 1.00 0.00 H new ATOM 0 HG11 VAL A 10 80.789 -1.687 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 10 79.128 -1.190 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 10 79.728 -2.786 -13.116 1.00 0.00 H new ATOM 0 HG21 VAL A 10 82.512 -1.864 -13.957 1.00 0.00 H new ATOM 0 HG22 VAL A 10 81.467 -2.962 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 10 82.120 -1.494 -15.653 1.00 0.00 H new ATOM 39 N ILE A 11 77.144 -1.041 -14.450 1.00 0.00 N ATOM 40 CA ILE A 11 75.885 -0.329 -14.058 1.00 0.00 C ATOM 41 C ILE A 11 75.895 -0.073 -12.544 1.00 0.00 C ATOM 42 O ILE A 11 76.189 -0.964 -11.764 1.00 0.00 O ATOM 43 CB ILE A 11 74.732 -1.276 -14.457 1.00 0.00 C ATOM 44 CG1 ILE A 11 74.754 -1.522 -15.972 1.00 0.00 C ATOM 45 CG2 ILE A 11 73.378 -0.657 -14.083 1.00 0.00 C ATOM 46 CD1 ILE A 11 73.857 -2.714 -16.311 1.00 0.00 C ATOM 0 H ILE A 11 77.125 -2.051 -14.309 1.00 0.00 H new ATOM 0 HA ILE A 11 75.780 0.639 -14.548 1.00 0.00 H new ATOM 0 HB ILE A 11 74.865 -2.217 -13.924 1.00 0.00 H new ATOM 0 HG12 ILE A 11 74.410 -0.633 -16.500 1.00 0.00 H new ATOM 0 HG13 ILE A 11 75.774 -1.715 -16.305 1.00 0.00 H new ATOM 0 HG21 ILE A 11 72.576 -1.336 -14.371 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.341 -0.486 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 73.255 0.292 -14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 11 73.874 -2.887 -17.387 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.221 -3.602 -15.795 1.00 0.00 H new ATOM 0 HD13 ILE A 11 72.836 -2.503 -15.993 1.00 0.00 H new ATOM 58 N MET A 12 75.580 1.136 -12.138 1.00 0.00 N ATOM 59 CA MET A 12 75.442 1.441 -10.678 1.00 0.00 C ATOM 60 C MET A 12 74.021 1.117 -10.191 1.00 0.00 C ATOM 61 O MET A 12 73.056 1.734 -10.608 1.00 0.00 O ATOM 62 CB MET A 12 75.784 2.939 -10.523 1.00 0.00 C ATOM 63 CG MET A 12 74.769 3.836 -11.262 1.00 0.00 C ATOM 64 SD MET A 12 75.596 5.289 -11.968 1.00 0.00 S ATOM 65 CE MET A 12 74.126 6.333 -12.124 1.00 0.00 C ATOM 0 H MET A 12 75.412 1.927 -12.759 1.00 0.00 H new ATOM 0 HA MET A 12 76.111 0.833 -10.068 1.00 0.00 H new ATOM 0 HB2 MET A 12 75.799 3.201 -9.465 1.00 0.00 H new ATOM 0 HB3 MET A 12 76.785 3.126 -10.912 1.00 0.00 H new ATOM 0 HG2 MET A 12 74.282 3.267 -12.054 1.00 0.00 H new ATOM 0 HG3 MET A 12 73.988 4.155 -10.572 1.00 0.00 H new ATOM 0 HE1 MET A 12 74.408 7.297 -12.547 1.00 0.00 H new ATOM 0 HE2 MET A 12 73.402 5.847 -12.778 1.00 0.00 H new ATOM 0 HE3 MET A 12 73.681 6.484 -11.140 1.00 0.00 H new ATOM 75 N SER A 13 73.898 0.143 -9.316 1.00 0.00 N ATOM 76 CA SER A 13 72.563 -0.215 -8.740 1.00 0.00 C ATOM 77 C SER A 13 72.387 0.447 -7.370 1.00 0.00 C ATOM 78 O SER A 13 73.352 0.867 -6.754 1.00 0.00 O ATOM 79 CB SER A 13 72.586 -1.738 -8.603 1.00 0.00 C ATOM 80 OG SER A 13 73.613 -2.114 -7.698 1.00 0.00 O ATOM 0 H SER A 13 74.675 -0.423 -8.975 1.00 0.00 H new ATOM 0 HA SER A 13 71.737 0.124 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.621 -2.097 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.756 -2.199 -9.576 1.00 0.00 H new ATOM 0 HG SER A 13 73.628 -3.090 -7.608 1.00 0.00 H new ATOM 86 N GLU A 14 71.164 0.538 -6.897 1.00 0.00 N ATOM 87 CA GLU A 14 70.888 1.272 -5.623 1.00 0.00 C ATOM 88 C GLU A 14 69.654 0.698 -4.919 1.00 0.00 C ATOM 89 O GLU A 14 68.758 0.169 -5.556 1.00 0.00 O ATOM 90 CB GLU A 14 70.637 2.719 -6.052 1.00 0.00 C ATOM 91 CG GLU A 14 70.592 3.620 -4.815 1.00 0.00 C ATOM 92 CD GLU A 14 70.233 5.048 -5.233 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.322 5.201 -6.030 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.875 5.964 -4.746 1.00 0.00 O ATOM 0 H GLU A 14 70.342 0.132 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 14 71.713 1.187 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.425 3.051 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.697 2.789 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.857 3.243 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.558 3.610 -4.310 1.00 0.00 H new ATOM 101 N LEU A 15 69.612 0.802 -3.609 1.00 0.00 N ATOM 102 CA LEU A 15 68.389 0.418 -2.839 1.00 0.00 C ATOM 103 C LEU A 15 67.890 1.606 -2.011 1.00 0.00 C ATOM 104 O LEU A 15 68.659 2.254 -1.320 1.00 0.00 O ATOM 105 CB LEU A 15 68.841 -0.723 -1.925 1.00 0.00 C ATOM 106 CG LEU A 15 67.621 -1.357 -1.253 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.864 -2.212 -2.272 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.080 -2.238 -0.089 1.00 0.00 C ATOM 0 H LEU A 15 70.385 1.141 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 15 67.567 0.119 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.381 -1.473 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.530 -0.346 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 15 66.964 -0.572 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 65.995 -2.664 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.537 -1.585 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.520 -2.997 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.211 -2.690 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.737 -3.023 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.619 -1.630 0.637 1.00 0.00 H new ATOM 120 N LYS A 16 66.610 1.891 -2.086 1.00 0.00 N ATOM 121 CA LYS A 16 66.011 2.983 -1.258 1.00 0.00 C ATOM 122 C LYS A 16 65.284 2.386 -0.050 1.00 0.00 C ATOM 123 O LYS A 16 64.342 1.629 -0.209 1.00 0.00 O ATOM 124 CB LYS A 16 65.015 3.679 -2.189 1.00 0.00 C ATOM 125 CG LYS A 16 65.728 4.778 -2.980 1.00 0.00 C ATOM 126 CD LYS A 16 65.804 6.047 -2.131 1.00 0.00 C ATOM 127 CE LYS A 16 66.678 7.086 -2.836 1.00 0.00 C ATOM 128 NZ LYS A 16 65.822 7.632 -3.926 1.00 0.00 N ATOM 0 H LYS A 16 65.949 1.406 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 16 66.762 3.672 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.574 2.954 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.198 4.107 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.731 4.451 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 16 65.192 4.979 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.804 6.448 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.217 5.815 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.990 7.872 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.585 6.633 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.284 7.471 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.898 7.154 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.685 8.653 -3.782 1.00 0.00 H new ATOM 142 N LEU A 17 65.715 2.727 1.145 1.00 0.00 N ATOM 143 CA LEU A 17 65.077 2.178 2.382 1.00 0.00 C ATOM 144 C LEU A 17 64.473 3.311 3.217 1.00 0.00 C ATOM 145 O LEU A 17 64.916 4.443 3.144 1.00 0.00 O ATOM 146 CB LEU A 17 66.212 1.503 3.151 1.00 0.00 C ATOM 147 CG LEU A 17 66.643 0.231 2.420 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.034 -0.186 2.899 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.644 -0.891 2.719 1.00 0.00 C ATOM 0 H LEU A 17 66.489 3.369 1.314 1.00 0.00 H new ATOM 0 HA LEU A 17 64.269 1.484 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.057 2.185 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.885 1.260 4.162 1.00 0.00 H new ATOM 0 HG LEU A 17 66.670 0.420 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.342 -1.093 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.746 0.612 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.008 -0.375 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.950 -1.799 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.619 -1.079 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.652 -0.595 2.379 1.00 0.00 H new ATOM 161 N LYS A 18 63.466 3.004 4.003 1.00 0.00 N ATOM 162 CA LYS A 18 62.885 4.016 4.941 1.00 0.00 C ATOM 163 C LYS A 18 62.682 3.387 6.335 1.00 0.00 C ATOM 164 O LYS A 18 62.084 2.331 6.424 1.00 0.00 O ATOM 165 CB LYS A 18 61.535 4.391 4.327 1.00 0.00 C ATOM 166 CG LYS A 18 60.943 5.585 5.079 1.00 0.00 C ATOM 167 CD LYS A 18 59.476 5.762 4.686 1.00 0.00 C ATOM 168 CE LYS A 18 58.617 4.748 5.444 1.00 0.00 C ATOM 169 NZ LYS A 18 57.217 5.223 5.267 1.00 0.00 N ATOM 0 H LYS A 18 63.019 2.088 4.034 1.00 0.00 H new ATOM 0 HA LYS A 18 63.533 4.883 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.660 4.638 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.853 3.542 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 18 61.025 5.428 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.504 6.490 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.147 6.776 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 18 59.357 5.623 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.747 3.743 5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.890 4.709 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.567 4.578 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.122 6.180 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.983 5.244 4.254 1.00 0.00 H new ATOM 183 N PRO A 19 63.180 4.034 7.383 1.00 0.00 N ATOM 184 CA PRO A 19 62.844 3.594 8.768 1.00 0.00 C ATOM 185 C PRO A 19 61.365 3.872 9.067 1.00 0.00 C ATOM 186 O PRO A 19 60.848 4.920 8.722 1.00 0.00 O ATOM 187 CB PRO A 19 63.760 4.436 9.672 1.00 0.00 C ATOM 188 CG PRO A 19 64.739 5.102 8.757 1.00 0.00 C ATOM 189 CD PRO A 19 64.088 5.193 7.408 1.00 0.00 C ATOM 0 HA PRO A 19 62.993 2.525 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.185 5.173 10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.272 3.809 10.402 1.00 0.00 H new ATOM 0 HG2 PRO A 19 64.999 6.094 9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 19 65.665 4.530 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.545 6.130 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.823 5.144 6.604 1.00 0.00 H new ATOM 197 N LEU A 20 60.694 2.937 9.701 1.00 0.00 N ATOM 198 CA LEU A 20 59.257 3.150 10.087 1.00 0.00 C ATOM 199 C LEU A 20 59.084 4.101 11.311 1.00 0.00 C ATOM 200 O LEU A 20 58.269 5.000 11.197 1.00 0.00 O ATOM 201 CB LEU A 20 58.651 1.755 10.317 1.00 0.00 C ATOM 202 CG LEU A 20 58.544 1.021 8.978 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.485 -0.488 9.224 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.275 1.470 8.250 1.00 0.00 C ATOM 0 H LEU A 20 61.080 2.032 9.969 1.00 0.00 H new ATOM 0 HA LEU A 20 58.725 3.667 9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.273 1.186 11.008 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.666 1.845 10.775 1.00 0.00 H new ATOM 0 HG LEU A 20 59.416 1.254 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.409 -1.009 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.390 -0.808 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.615 -0.723 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.198 0.948 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.403 1.238 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.318 2.545 8.073 1.00 0.00 H new ATOM 216 N PRO A 21 59.798 3.935 12.443 1.00 0.00 N ATOM 217 CA PRO A 21 59.794 5.024 13.471 1.00 0.00 C ATOM 218 C PRO A 21 60.544 6.251 12.940 1.00 0.00 C ATOM 219 O PRO A 21 61.359 6.139 12.040 1.00 0.00 O ATOM 220 CB PRO A 21 60.521 4.420 14.674 1.00 0.00 C ATOM 221 CG PRO A 21 61.362 3.329 14.106 1.00 0.00 C ATOM 222 CD PRO A 21 60.623 2.795 12.912 1.00 0.00 C ATOM 0 HA PRO A 21 58.789 5.358 13.727 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.132 5.166 15.182 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.815 4.033 15.409 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.343 3.706 13.818 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.527 2.543 14.843 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.312 2.459 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.002 1.940 13.180 1.00 0.00 H new ATOM 230 N LYS A 22 60.268 7.412 13.493 1.00 0.00 N ATOM 231 CA LYS A 22 60.923 8.668 13.002 1.00 0.00 C ATOM 232 C LYS A 22 62.304 8.834 13.650 1.00 0.00 C ATOM 233 O LYS A 22 62.441 9.461 14.687 1.00 0.00 O ATOM 234 CB LYS A 22 59.984 9.809 13.412 1.00 0.00 C ATOM 235 CG LYS A 22 60.340 11.073 12.628 1.00 0.00 C ATOM 236 CD LYS A 22 59.441 12.225 13.080 1.00 0.00 C ATOM 237 CE LYS A 22 59.485 13.348 12.041 1.00 0.00 C ATOM 238 NZ LYS A 22 58.478 12.959 11.014 1.00 0.00 N ATOM 0 H LYS A 22 59.615 7.542 14.266 1.00 0.00 H new ATOM 0 HA LYS A 22 61.081 8.653 11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 58.949 9.529 13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.069 9.997 14.482 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.387 11.330 12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.215 10.898 11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.417 11.873 13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.771 12.599 14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.240 14.311 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.479 13.443 11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 58.901 13.035 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.174 11.978 11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.655 13.592 11.077 1.00 0.00 H new ATOM 252 N VAL A 23 63.321 8.267 13.039 1.00 0.00 N ATOM 253 CA VAL A 23 64.715 8.406 13.570 1.00 0.00 C ATOM 254 C VAL A 23 65.723 8.418 12.409 1.00 0.00 C ATOM 255 O VAL A 23 65.555 7.710 11.430 1.00 0.00 O ATOM 256 CB VAL A 23 64.912 7.192 14.504 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.796 5.871 13.731 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.289 7.269 15.171 1.00 0.00 C ATOM 0 H VAL A 23 63.242 7.710 12.188 1.00 0.00 H new ATOM 0 HA VAL A 23 64.873 9.339 14.111 1.00 0.00 H new ATOM 0 HB VAL A 23 64.129 7.219 15.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 64.939 5.035 14.416 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.808 5.802 13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.558 5.837 12.952 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.423 6.410 15.829 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.065 7.264 14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.360 8.187 15.754 1.00 0.00 H new ATOM 268 N GLU A 24 66.760 9.219 12.521 1.00 0.00 N ATOM 269 CA GLU A 24 67.808 9.279 11.454 1.00 0.00 C ATOM 270 C GLU A 24 69.151 8.790 12.002 1.00 0.00 C ATOM 271 O GLU A 24 69.614 9.265 13.025 1.00 0.00 O ATOM 272 CB GLU A 24 67.891 10.758 11.067 1.00 0.00 C ATOM 273 CG GLU A 24 68.761 10.912 9.817 1.00 0.00 C ATOM 274 CD GLU A 24 68.921 12.397 9.485 1.00 0.00 C ATOM 275 OE1 GLU A 24 69.180 13.164 10.398 1.00 0.00 O ATOM 276 OE2 GLU A 24 68.782 12.742 8.323 1.00 0.00 O ATOM 0 H GLU A 24 66.924 9.838 13.315 1.00 0.00 H new ATOM 0 HA GLU A 24 67.566 8.646 10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.892 11.152 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.312 11.337 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 69.738 10.458 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.305 10.388 8.977 1.00 0.00 H new ATOM 283 N LEU A 25 69.770 7.848 11.326 1.00 0.00 N ATOM 284 CA LEU A 25 71.082 7.299 11.796 1.00 0.00 C ATOM 285 C LEU A 25 72.247 8.056 11.129 1.00 0.00 C ATOM 286 O LEU A 25 72.124 8.444 9.981 1.00 0.00 O ATOM 287 CB LEU A 25 71.082 5.831 11.362 1.00 0.00 C ATOM 288 CG LEU A 25 70.217 5.016 12.324 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.944 3.636 11.722 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.952 4.852 13.656 1.00 0.00 C ATOM 0 H LEU A 25 69.418 7.434 10.463 1.00 0.00 H new ATOM 0 HA LEU A 25 71.208 7.405 12.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.698 5.741 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 72.101 5.443 11.354 1.00 0.00 H new ATOM 0 HG LEU A 25 69.272 5.534 12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 25 69.327 3.055 12.408 1.00 0.00 H new ATOM 0 HD12 LEU A 25 69.421 3.750 10.772 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.889 3.118 11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 70.336 4.271 14.342 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.896 4.334 13.489 1.00 0.00 H new ATOM 0 HD23 LEU A 25 71.148 5.834 14.087 1.00 0.00 H new ATOM 302 N PRO A 26 73.348 8.252 11.850 1.00 0.00 N ATOM 303 CA PRO A 26 74.553 8.912 11.251 1.00 0.00 C ATOM 304 C PRO A 26 75.065 8.149 10.007 1.00 0.00 C ATOM 305 O PRO A 26 74.714 6.999 9.820 1.00 0.00 O ATOM 306 CB PRO A 26 75.590 8.866 12.376 1.00 0.00 C ATOM 307 CG PRO A 26 74.788 8.737 13.626 1.00 0.00 C ATOM 308 CD PRO A 26 73.588 7.910 13.268 1.00 0.00 C ATOM 0 HA PRO A 26 74.338 9.923 10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.270 8.023 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 26 76.201 9.769 12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.369 8.259 14.414 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.489 9.716 14.000 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.781 6.845 13.398 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.729 8.157 13.892 1.00 0.00 H new ATOM 316 N PRO A 27 75.879 8.807 9.191 1.00 0.00 N ATOM 317 CA PRO A 27 76.299 8.220 7.880 1.00 0.00 C ATOM 318 C PRO A 27 77.190 6.974 8.042 1.00 0.00 C ATOM 319 O PRO A 27 77.467 6.302 7.065 1.00 0.00 O ATOM 320 CB PRO A 27 77.086 9.357 7.208 1.00 0.00 C ATOM 321 CG PRO A 27 76.707 10.586 7.962 1.00 0.00 C ATOM 322 CD PRO A 27 76.482 10.140 9.374 1.00 0.00 C ATOM 0 HA PRO A 27 75.440 7.878 7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.160 9.178 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.828 9.446 6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.495 11.337 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.807 11.039 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.413 10.091 9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.818 10.816 9.913 1.00 0.00 H new ATOM 330 N ASP A 28 77.644 6.664 9.241 1.00 0.00 N ATOM 331 CA ASP A 28 78.481 5.432 9.438 1.00 0.00 C ATOM 332 C ASP A 28 77.598 4.173 9.453 1.00 0.00 C ATOM 333 O ASP A 28 78.031 3.101 9.061 1.00 0.00 O ATOM 334 CB ASP A 28 79.225 5.618 10.775 1.00 0.00 C ATOM 335 CG ASP A 28 78.238 5.782 11.939 1.00 0.00 C ATOM 336 OD1 ASP A 28 77.530 4.832 12.228 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.212 6.854 12.521 1.00 0.00 O ATOM 0 H ASP A 28 77.471 7.209 10.086 1.00 0.00 H new ATOM 0 HA ASP A 28 79.191 5.298 8.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.869 4.758 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.871 6.494 10.716 1.00 0.00 H new ATOM 342 N PHE A 29 76.362 4.299 9.897 1.00 0.00 N ATOM 343 CA PHE A 29 75.449 3.105 9.982 1.00 0.00 C ATOM 344 C PHE A 29 75.247 2.463 8.605 1.00 0.00 C ATOM 345 O PHE A 29 75.297 1.256 8.473 1.00 0.00 O ATOM 346 CB PHE A 29 74.116 3.627 10.532 1.00 0.00 C ATOM 347 CG PHE A 29 74.034 3.573 12.037 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.716 4.547 12.828 1.00 0.00 C ATOM 349 CD2 PHE A 29 73.277 2.540 12.670 1.00 0.00 C ATOM 350 CE1 PHE A 29 74.641 4.490 14.254 1.00 0.00 C ATOM 351 CE2 PHE A 29 73.201 2.483 14.096 1.00 0.00 C ATOM 352 CZ PHE A 29 73.884 3.457 14.889 1.00 0.00 C ATOM 0 H PHE A 29 75.947 5.179 10.204 1.00 0.00 H new ATOM 0 HA PHE A 29 75.874 2.334 10.625 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.972 4.656 10.203 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.301 3.040 10.109 1.00 0.00 H new ATOM 0 HD1 PHE A 29 75.289 5.327 12.348 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.763 1.803 12.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 75.156 5.227 14.852 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.627 1.703 14.575 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.828 3.412 15.967 1.00 0.00 H new ATOM 362 N VAL A 30 75.030 3.265 7.584 1.00 0.00 N ATOM 363 CA VAL A 30 74.641 2.711 6.238 1.00 0.00 C ATOM 364 C VAL A 30 75.724 1.745 5.713 1.00 0.00 C ATOM 365 O VAL A 30 75.423 0.778 5.035 1.00 0.00 O ATOM 366 CB VAL A 30 74.457 3.938 5.316 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.779 4.697 5.143 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.942 3.482 3.945 1.00 0.00 C ATOM 0 H VAL A 30 75.105 4.281 7.623 1.00 0.00 H new ATOM 0 HA VAL A 30 73.722 2.126 6.285 1.00 0.00 H new ATOM 0 HB VAL A 30 73.732 4.608 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.623 5.556 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.132 5.040 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.523 4.035 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.813 4.350 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.661 2.797 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.985 2.975 4.066 1.00 0.00 H new ATOM 378 N ASP A 31 76.971 2.011 6.035 1.00 0.00 N ATOM 379 CA ASP A 31 78.086 1.099 5.613 1.00 0.00 C ATOM 380 C ASP A 31 78.004 -0.221 6.386 1.00 0.00 C ATOM 381 O ASP A 31 78.175 -1.285 5.820 1.00 0.00 O ATOM 382 CB ASP A 31 79.388 1.834 5.949 1.00 0.00 C ATOM 383 CG ASP A 31 79.510 3.091 5.083 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.246 2.997 3.896 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.865 4.125 5.624 1.00 0.00 O ATOM 0 H ASP A 31 77.265 2.825 6.575 1.00 0.00 H new ATOM 0 HA ASP A 31 78.030 0.861 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.402 2.105 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.242 1.178 5.777 1.00 0.00 H new ATOM 390 N VAL A 32 77.736 -0.152 7.673 1.00 0.00 N ATOM 391 CA VAL A 32 77.701 -1.398 8.517 1.00 0.00 C ATOM 392 C VAL A 32 76.488 -2.254 8.112 1.00 0.00 C ATOM 393 O VAL A 32 76.578 -3.467 8.045 1.00 0.00 O ATOM 394 CB VAL A 32 77.594 -0.928 9.984 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.576 -2.137 10.929 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.796 -0.048 10.342 1.00 0.00 C ATOM 0 H VAL A 32 77.540 0.713 8.176 1.00 0.00 H new ATOM 0 HA VAL A 32 78.591 -2.012 8.382 1.00 0.00 H new ATOM 0 HB VAL A 32 76.670 -0.360 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.500 -1.792 11.960 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.720 -2.770 10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.495 -2.710 10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.712 0.279 11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.716 -0.619 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.817 0.823 9.687 1.00 0.00 H new ATOM 406 N ILE A 33 75.366 -1.625 7.842 1.00 0.00 N ATOM 407 CA ILE A 33 74.146 -2.378 7.375 1.00 0.00 C ATOM 408 C ILE A 33 74.431 -3.043 6.016 1.00 0.00 C ATOM 409 O ILE A 33 74.054 -4.179 5.788 1.00 0.00 O ATOM 410 CB ILE A 33 73.017 -1.324 7.267 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.739 -0.687 8.649 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.725 -1.958 6.724 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.298 -1.739 9.682 1.00 0.00 C ATOM 0 H ILE A 33 75.239 -0.616 7.925 1.00 0.00 H new ATOM 0 HA ILE A 33 73.863 -3.176 8.061 1.00 0.00 H new ATOM 0 HB ILE A 33 73.347 -0.550 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.637 -0.182 9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.964 0.073 8.550 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.947 -1.198 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.912 -2.374 5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.399 -2.752 7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 33 72.112 -1.253 10.640 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.385 -2.226 9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 33 73.084 -2.485 9.800 1.00 0.00 H new ATOM 425 N ARG A 34 75.094 -2.340 5.121 1.00 0.00 N ATOM 426 CA ARG A 34 75.452 -2.926 3.777 1.00 0.00 C ATOM 427 C ARG A 34 76.301 -4.198 3.935 1.00 0.00 C ATOM 428 O ARG A 34 76.110 -5.164 3.217 1.00 0.00 O ATOM 429 CB ARG A 34 76.256 -1.843 3.048 1.00 0.00 C ATOM 430 CG ARG A 34 76.424 -2.234 1.577 1.00 0.00 C ATOM 431 CD ARG A 34 77.288 -1.187 0.864 1.00 0.00 C ATOM 432 NE ARG A 34 78.680 -1.376 1.396 1.00 0.00 N ATOM 433 CZ ARG A 34 79.593 -0.420 1.342 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.355 0.758 0.805 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.778 -0.657 1.832 1.00 0.00 N ATOM 0 H ARG A 34 75.405 -1.379 5.263 1.00 0.00 H new ATOM 0 HA ARG A 34 74.557 -3.211 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.745 -0.883 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.233 -1.723 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.889 -3.217 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.449 -2.305 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.260 -1.327 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.926 -0.179 1.065 1.00 0.00 H new ATOM 0 HE ARG A 34 78.930 -2.272 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.437 0.962 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.088 1.467 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.986 -1.565 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.497 0.066 1.801 1.00 0.00 H new ATOM 449 N ILE A 35 77.229 -4.197 4.867 1.00 0.00 N ATOM 450 CA ILE A 35 78.099 -5.408 5.095 1.00 0.00 C ATOM 451 C ILE A 35 77.241 -6.583 5.600 1.00 0.00 C ATOM 452 O ILE A 35 77.415 -7.710 5.169 1.00 0.00 O ATOM 453 CB ILE A 35 79.147 -4.985 6.149 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.002 -3.840 5.596 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.071 -6.160 6.494 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.760 -3.170 6.743 1.00 0.00 C ATOM 0 H ILE A 35 77.424 -3.408 5.483 1.00 0.00 H new ATOM 0 HA ILE A 35 78.585 -5.743 4.179 1.00 0.00 H new ATOM 0 HB ILE A 35 78.618 -4.664 7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.705 -4.222 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.369 -3.111 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.802 -5.842 7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.479 -6.983 6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.590 -6.491 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.368 -2.355 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 35 80.048 -2.775 7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.404 -3.902 7.230 1.00 0.00 H new ATOM 468 N LYS A 36 76.328 -6.320 6.508 1.00 0.00 N ATOM 469 CA LYS A 36 75.436 -7.408 7.041 1.00 0.00 C ATOM 470 C LYS A 36 74.535 -7.977 5.937 1.00 0.00 C ATOM 471 O LYS A 36 74.353 -9.178 5.841 1.00 0.00 O ATOM 472 CB LYS A 36 74.580 -6.755 8.132 1.00 0.00 C ATOM 473 CG LYS A 36 75.474 -6.334 9.301 1.00 0.00 C ATOM 474 CD LYS A 36 74.603 -5.823 10.451 1.00 0.00 C ATOM 475 CE LYS A 36 75.498 -5.310 11.581 1.00 0.00 C ATOM 476 NZ LYS A 36 74.593 -4.513 12.455 1.00 0.00 N ATOM 0 H LYS A 36 76.160 -5.396 6.905 1.00 0.00 H new ATOM 0 HA LYS A 36 76.026 -8.239 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.058 -5.887 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.817 -7.453 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.077 -7.179 9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.166 -5.555 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 36 73.950 -5.024 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.960 -6.623 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 36 75.952 -6.135 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 36 76.312 -4.698 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 75.134 -4.127 13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.180 -3.732 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 73.832 -5.123 12.815 1.00 0.00 H new ATOM 490 N LEU A 37 73.981 -7.122 5.106 1.00 0.00 N ATOM 491 CA LEU A 37 72.887 -7.555 4.174 1.00 0.00 C ATOM 492 C LEU A 37 73.451 -8.060 2.839 1.00 0.00 C ATOM 493 O LEU A 37 72.866 -8.926 2.213 1.00 0.00 O ATOM 494 CB LEU A 37 72.028 -6.307 3.948 1.00 0.00 C ATOM 495 CG LEU A 37 71.322 -5.924 5.250 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.696 -4.536 5.099 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.222 -6.943 5.559 1.00 0.00 C ATOM 0 H LEU A 37 74.241 -6.138 5.033 1.00 0.00 H new ATOM 0 HA LEU A 37 72.315 -8.381 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.652 -5.482 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.292 -6.497 3.166 1.00 0.00 H new ATOM 0 HG LEU A 37 72.047 -5.914 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.192 -4.261 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.476 -3.807 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.973 -4.550 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.721 -6.667 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.497 -6.954 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.663 -7.934 5.665 1.00 0.00 H new ATOM 509 N GLN A 38 74.574 -7.526 2.399 1.00 0.00 N ATOM 510 CA GLN A 38 75.113 -7.842 1.021 1.00 0.00 C ATOM 511 C GLN A 38 75.198 -9.357 0.756 1.00 0.00 C ATOM 512 O GLN A 38 75.446 -10.138 1.658 1.00 0.00 O ATOM 513 CB GLN A 38 76.514 -7.205 0.943 1.00 0.00 C ATOM 514 CG GLN A 38 77.427 -7.739 2.058 1.00 0.00 C ATOM 515 CD GLN A 38 78.891 -7.615 1.629 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.477 -8.562 1.145 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.511 -6.477 1.787 1.00 0.00 N ATOM 0 H GLN A 38 75.148 -6.878 2.939 1.00 0.00 H new ATOM 0 HA GLN A 38 74.441 -7.443 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.960 -7.417 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.429 -6.121 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.259 -7.179 2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.187 -8.781 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 38 79.020 -5.681 2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.487 -6.384 1.504 1.00 0.00 H new ATOM 526 N GLY A 39 74.990 -9.758 -0.479 1.00 0.00 N ATOM 527 CA GLY A 39 74.924 -11.212 -0.824 1.00 0.00 C ATOM 528 C GLY A 39 73.465 -11.691 -0.869 1.00 0.00 C ATOM 529 O GLY A 39 73.151 -12.636 -1.572 1.00 0.00 O ATOM 0 H GLY A 39 74.862 -9.128 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.399 -11.384 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.480 -11.792 -0.087 1.00 0.00 H new ATOM 533 N LYS A 40 72.581 -11.053 -0.130 1.00 0.00 N ATOM 534 CA LYS A 40 71.128 -11.418 -0.188 1.00 0.00 C ATOM 535 C LYS A 40 70.420 -10.596 -1.270 1.00 0.00 C ATOM 536 O LYS A 40 70.863 -9.516 -1.620 1.00 0.00 O ATOM 537 CB LYS A 40 70.564 -11.077 1.195 1.00 0.00 C ATOM 538 CG LYS A 40 71.180 -12.007 2.242 1.00 0.00 C ATOM 539 CD LYS A 40 70.527 -11.751 3.602 1.00 0.00 C ATOM 540 CE LYS A 40 71.252 -12.562 4.677 1.00 0.00 C ATOM 541 NZ LYS A 40 70.748 -12.020 5.971 1.00 0.00 N ATOM 0 H LYS A 40 72.807 -10.293 0.512 1.00 0.00 H new ATOM 0 HA LYS A 40 70.982 -12.470 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.783 -10.038 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.479 -11.183 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.037 -13.047 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.255 -11.838 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.569 -10.689 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.474 -12.030 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.035 -13.626 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 40 72.333 -12.449 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 71.200 -12.527 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 70.975 -11.007 6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.717 -12.148 6.023 1.00 0.00 H new ATOM 555 N THR A 41 69.328 -11.108 -1.795 1.00 0.00 N ATOM 556 CA THR A 41 68.570 -10.379 -2.857 1.00 0.00 C ATOM 557 C THR A 41 67.377 -9.639 -2.246 1.00 0.00 C ATOM 558 O THR A 41 66.791 -10.093 -1.279 1.00 0.00 O ATOM 559 CB THR A 41 68.090 -11.467 -3.821 1.00 0.00 C ATOM 560 OG1 THR A 41 69.186 -12.300 -4.172 1.00 0.00 O ATOM 561 CG2 THR A 41 67.515 -10.819 -5.082 1.00 0.00 C ATOM 0 H THR A 41 68.929 -12.008 -1.528 1.00 0.00 H new ATOM 0 HA THR A 41 69.183 -9.631 -3.359 1.00 0.00 H new ATOM 0 HB THR A 41 67.316 -12.065 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.882 -12.999 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.174 -11.595 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.675 -10.179 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.286 -10.220 -5.567 1.00 0.00 H new ATOM 569 N VAL A 42 67.023 -8.507 -2.811 1.00 0.00 N ATOM 570 CA VAL A 42 65.930 -7.661 -2.232 1.00 0.00 C ATOM 571 C VAL A 42 64.913 -7.282 -3.316 1.00 0.00 C ATOM 572 O VAL A 42 65.276 -7.050 -4.458 1.00 0.00 O ATOM 573 CB VAL A 42 66.619 -6.404 -1.662 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.547 -6.806 -0.513 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.438 -5.683 -2.743 1.00 0.00 C ATOM 0 H VAL A 42 67.450 -8.130 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 42 65.380 -8.194 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 42 65.846 -5.725 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.034 -5.918 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.965 -7.289 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.304 -7.499 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.912 -4.801 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.204 -6.356 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.779 -5.380 -3.557 1.00 0.00 H new ATOM 585 N ARG A 43 63.652 -7.225 -2.953 1.00 0.00 N ATOM 586 CA ARG A 43 62.594 -6.740 -3.892 1.00 0.00 C ATOM 587 C ARG A 43 61.692 -5.726 -3.182 1.00 0.00 C ATOM 588 O ARG A 43 61.475 -5.815 -1.985 1.00 0.00 O ATOM 589 CB ARG A 43 61.794 -7.989 -4.272 1.00 0.00 C ATOM 590 CG ARG A 43 62.670 -8.932 -5.098 1.00 0.00 C ATOM 591 CD ARG A 43 61.821 -10.099 -5.613 1.00 0.00 C ATOM 592 NE ARG A 43 62.790 -11.203 -5.926 1.00 0.00 N ATOM 593 CZ ARG A 43 62.419 -12.472 -5.991 1.00 0.00 C ATOM 594 NH1 ARG A 43 61.177 -12.859 -5.798 1.00 0.00 N ATOM 595 NH2 ARG A 43 63.320 -13.376 -6.263 1.00 0.00 N ATOM 0 H ARG A 43 63.309 -7.498 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 43 63.013 -6.244 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.445 -8.496 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.909 -7.706 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.113 -8.393 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.493 -9.308 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.096 -10.416 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 43 61.257 -9.811 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 43 63.768 -10.967 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.455 -12.170 -5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 43 60.936 -13.848 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 64.289 -13.099 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 43 63.055 -14.360 -6.318 1.00 0.00 H new ATOM 609 N THR A 44 61.162 -4.768 -3.914 1.00 0.00 N ATOM 610 CA THR A 44 60.322 -3.680 -3.287 1.00 0.00 C ATOM 611 C THR A 44 59.159 -4.265 -2.470 1.00 0.00 C ATOM 612 O THR A 44 58.512 -5.209 -2.892 1.00 0.00 O ATOM 613 CB THR A 44 59.770 -2.860 -4.459 1.00 0.00 C ATOM 614 OG1 THR A 44 60.825 -2.553 -5.359 1.00 0.00 O ATOM 615 CG2 THR A 44 59.156 -1.562 -3.931 1.00 0.00 C ATOM 0 H THR A 44 61.274 -4.690 -4.925 1.00 0.00 H new ATOM 0 HA THR A 44 60.917 -3.079 -2.599 1.00 0.00 H new ATOM 0 HB THR A 44 59.005 -3.438 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.473 -2.030 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.764 -0.980 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.346 -1.797 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.920 -0.983 -3.412 1.00 0.00 H new ATOM 623 N GLY A 45 58.900 -3.705 -1.308 1.00 0.00 N ATOM 624 CA GLY A 45 57.741 -4.155 -0.476 1.00 0.00 C ATOM 625 C GLY A 45 58.189 -5.122 0.633 1.00 0.00 C ATOM 626 O GLY A 45 57.459 -5.332 1.586 1.00 0.00 O ATOM 0 H GLY A 45 59.449 -2.949 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.253 -3.288 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 45 57.003 -4.644 -1.112 1.00 0.00 H new ATOM 630 N ASP A 46 59.367 -5.710 0.524 1.00 0.00 N ATOM 631 CA ASP A 46 59.877 -6.614 1.615 1.00 0.00 C ATOM 632 C ASP A 46 60.091 -5.829 2.914 1.00 0.00 C ATOM 633 O ASP A 46 60.343 -4.636 2.885 1.00 0.00 O ATOM 634 CB ASP A 46 61.216 -7.172 1.116 1.00 0.00 C ATOM 635 CG ASP A 46 60.974 -8.168 -0.023 1.00 0.00 C ATOM 636 OD1 ASP A 46 60.034 -8.940 0.073 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.741 -8.143 -0.970 1.00 0.00 O ATOM 0 H ASP A 46 59.995 -5.602 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 46 59.162 -7.408 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.853 -6.358 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.743 -7.663 1.934 1.00 0.00 H new ATOM 642 N VAL A 47 59.993 -6.495 4.042 1.00 0.00 N ATOM 643 CA VAL A 47 60.227 -5.820 5.361 1.00 0.00 C ATOM 644 C VAL A 47 61.136 -6.704 6.228 1.00 0.00 C ATOM 645 O VAL A 47 60.946 -7.906 6.304 1.00 0.00 O ATOM 646 CB VAL A 47 58.831 -5.656 6.000 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.949 -4.955 7.358 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.933 -4.807 5.093 1.00 0.00 C ATOM 0 H VAL A 47 59.759 -7.486 4.106 1.00 0.00 H new ATOM 0 HA VAL A 47 60.720 -4.853 5.257 1.00 0.00 H new ATOM 0 HB VAL A 47 58.398 -6.648 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.958 -4.845 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.577 -5.550 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.396 -3.970 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.951 -4.698 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.381 -3.823 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.828 -5.296 4.125 1.00 0.00 H new ATOM 658 N ILE A 48 62.114 -6.108 6.873 1.00 0.00 N ATOM 659 CA ILE A 48 63.031 -6.886 7.770 1.00 0.00 C ATOM 660 C ILE A 48 63.288 -6.112 9.069 1.00 0.00 C ATOM 661 O ILE A 48 63.206 -4.896 9.096 1.00 0.00 O ATOM 662 CB ILE A 48 64.338 -7.108 6.981 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.976 -5.770 6.553 1.00 0.00 C ATOM 664 CG2 ILE A 48 64.040 -7.951 5.735 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.919 -5.264 7.651 1.00 0.00 C ATOM 0 H ILE A 48 62.317 -5.110 6.816 1.00 0.00 H new ATOM 0 HA ILE A 48 62.592 -7.842 8.055 1.00 0.00 H new ATOM 0 HB ILE A 48 65.043 -7.626 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.527 -5.902 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 48 64.198 -5.031 6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.961 -8.110 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.628 -8.914 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 48 63.319 -7.429 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.365 -4.319 7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.357 -5.114 8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.706 -5.998 7.821 1.00 0.00 H new ATOM 677 N GLY A 49 63.590 -6.815 10.139 1.00 0.00 N ATOM 678 CA GLY A 49 63.800 -6.153 11.465 1.00 0.00 C ATOM 679 C GLY A 49 65.281 -6.220 11.847 1.00 0.00 C ATOM 680 O GLY A 49 65.942 -7.215 11.606 1.00 0.00 O ATOM 0 H GLY A 49 63.700 -7.829 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.473 -5.114 11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.195 -6.644 12.227 1.00 0.00 H new ATOM 684 N ILE A 50 65.797 -5.165 12.438 1.00 0.00 N ATOM 685 CA ILE A 50 67.213 -5.171 12.931 1.00 0.00 C ATOM 686 C ILE A 50 67.239 -4.735 14.405 1.00 0.00 C ATOM 687 O ILE A 50 66.579 -3.786 14.785 1.00 0.00 O ATOM 688 CB ILE A 50 67.972 -4.169 12.036 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.906 -4.620 10.569 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.447 -4.095 12.458 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.385 -3.487 9.654 1.00 0.00 C ATOM 0 H ILE A 50 65.293 -4.294 12.601 1.00 0.00 H new ATOM 0 HA ILE A 50 67.672 -6.158 12.878 1.00 0.00 H new ATOM 0 HB ILE A 50 67.506 -3.190 12.146 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.526 -5.504 10.423 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.885 -4.901 10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.973 -3.385 11.820 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.513 -3.768 13.496 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.904 -5.080 12.359 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.336 -3.813 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.747 -2.614 9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.414 -3.227 9.904 1.00 0.00 H new ATOM 703 N SER A 51 67.992 -5.436 15.222 1.00 0.00 N ATOM 704 CA SER A 51 68.240 -4.971 16.626 1.00 0.00 C ATOM 705 C SER A 51 69.487 -4.084 16.676 1.00 0.00 C ATOM 706 O SER A 51 70.556 -4.491 16.254 1.00 0.00 O ATOM 707 CB SER A 51 68.463 -6.248 17.442 1.00 0.00 C ATOM 708 OG SER A 51 69.670 -6.869 17.022 1.00 0.00 O ATOM 0 H SER A 51 68.448 -6.315 14.975 1.00 0.00 H new ATOM 0 HA SER A 51 67.409 -4.381 17.014 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.514 -6.010 18.505 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.624 -6.930 17.308 1.00 0.00 H new ATOM 0 HG SER A 51 70.267 -6.195 16.635 1.00 0.00 H new ATOM 714 N ILE A 52 69.353 -2.879 17.187 1.00 0.00 N ATOM 715 CA ILE A 52 70.525 -1.951 17.298 1.00 0.00 C ATOM 716 C ILE A 52 70.604 -1.401 18.730 1.00 0.00 C ATOM 717 O ILE A 52 69.663 -0.813 19.227 1.00 0.00 O ATOM 718 CB ILE A 52 70.260 -0.820 16.278 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.143 -1.401 14.861 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.414 0.193 16.293 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.562 -0.346 13.916 1.00 0.00 C ATOM 0 H ILE A 52 68.473 -2.497 17.534 1.00 0.00 H new ATOM 0 HA ILE A 52 71.473 -2.446 17.089 1.00 0.00 H new ATOM 0 HB ILE A 52 69.329 -0.325 16.556 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.123 -1.720 14.507 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.505 -2.284 14.872 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.214 0.984 15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.505 0.627 17.289 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.344 -0.311 16.031 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.481 -0.762 12.912 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.574 -0.048 14.267 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.217 0.525 13.896 1.00 0.00 H new ATOM 733 N LEU A 53 71.732 -1.595 19.390 1.00 0.00 N ATOM 734 CA LEU A 53 71.972 -1.011 20.762 1.00 0.00 C ATOM 735 C LEU A 53 70.824 -1.334 21.732 1.00 0.00 C ATOM 736 O LEU A 53 70.508 -0.549 22.610 1.00 0.00 O ATOM 737 CB LEU A 53 72.092 0.505 20.552 1.00 0.00 C ATOM 738 CG LEU A 53 73.349 0.811 19.735 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.285 2.249 19.216 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.584 0.643 20.621 1.00 0.00 C ATOM 0 H LEU A 53 72.512 -2.144 19.028 1.00 0.00 H new ATOM 0 HA LEU A 53 72.870 -1.435 21.211 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.209 0.882 20.035 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.139 1.013 21.515 1.00 0.00 H new ATOM 0 HG LEU A 53 73.410 0.124 18.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.181 2.466 18.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.404 2.369 18.585 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.224 2.938 20.059 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.481 0.861 20.041 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.523 1.330 21.465 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.630 -0.382 20.990 1.00 0.00 H new ATOM 752 N GLY A 54 70.206 -2.483 21.570 1.00 0.00 N ATOM 753 CA GLY A 54 69.091 -2.893 22.480 1.00 0.00 C ATOM 754 C GLY A 54 67.791 -2.165 22.100 1.00 0.00 C ATOM 755 O GLY A 54 66.915 -2.003 22.932 1.00 0.00 O ATOM 0 H GLY A 54 70.430 -3.158 20.839 1.00 0.00 H new ATOM 0 HA2 GLY A 54 68.942 -3.971 22.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.354 -2.665 23.513 1.00 0.00 H new ATOM 759 N LYS A 55 67.658 -1.728 20.861 1.00 0.00 N ATOM 760 CA LYS A 55 66.415 -1.018 20.426 1.00 0.00 C ATOM 761 C LYS A 55 65.898 -1.623 19.117 1.00 0.00 C ATOM 762 O LYS A 55 66.643 -1.763 18.163 1.00 0.00 O ATOM 763 CB LYS A 55 66.846 0.434 20.214 1.00 0.00 C ATOM 764 CG LYS A 55 65.611 1.308 19.983 1.00 0.00 C ATOM 765 CD LYS A 55 65.001 1.699 21.332 1.00 0.00 C ATOM 766 CE LYS A 55 65.749 2.906 21.901 1.00 0.00 C ATOM 767 NZ LYS A 55 65.138 4.086 21.229 1.00 0.00 N ATOM 0 H LYS A 55 68.365 -1.837 20.134 1.00 0.00 H new ATOM 0 HA LYS A 55 65.610 -1.101 21.156 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.399 0.790 21.083 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.518 0.503 19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.885 2.202 19.423 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.878 0.769 19.383 1.00 0.00 H new ATOM 0 HD2 LYS A 55 63.944 1.937 21.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 65.060 0.861 22.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 65.637 2.966 22.984 1.00 0.00 H new ATOM 0 HE3 LYS A 55 66.817 2.842 21.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 65.880 4.779 21.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 64.669 3.782 20.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 64.438 4.522 21.862 1.00 0.00 H new ATOM 781 N GLU A 56 64.635 -1.981 19.077 1.00 0.00 N ATOM 782 CA GLU A 56 64.055 -2.608 17.842 1.00 0.00 C ATOM 783 C GLU A 56 63.712 -1.531 16.808 1.00 0.00 C ATOM 784 O GLU A 56 63.032 -0.567 17.115 1.00 0.00 O ATOM 785 CB GLU A 56 62.782 -3.327 18.303 1.00 0.00 C ATOM 786 CG GLU A 56 62.253 -4.209 17.169 1.00 0.00 C ATOM 787 CD GLU A 56 60.865 -4.735 17.538 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.759 -5.415 18.545 1.00 0.00 O ATOM 789 OE2 GLU A 56 59.931 -4.449 16.806 1.00 0.00 O ATOM 0 H GLU A 56 63.978 -1.866 19.849 1.00 0.00 H new ATOM 0 HA GLU A 56 64.758 -3.294 17.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 62.994 -3.935 19.182 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.025 -2.598 18.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.203 -3.637 16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 56 62.934 -5.041 16.993 1.00 0.00 H new ATOM 796 N VAL A 57 64.183 -1.694 15.593 1.00 0.00 N ATOM 797 CA VAL A 57 63.760 -0.794 14.472 1.00 0.00 C ATOM 798 C VAL A 57 63.286 -1.637 13.276 1.00 0.00 C ATOM 799 O VAL A 57 63.954 -2.570 12.867 1.00 0.00 O ATOM 800 CB VAL A 57 65.006 0.056 14.132 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.184 -0.832 13.709 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.682 1.034 12.996 1.00 0.00 C ATOM 0 H VAL A 57 64.849 -2.420 15.328 1.00 0.00 H new ATOM 0 HA VAL A 57 62.922 -0.151 14.740 1.00 0.00 H new ATOM 0 HB VAL A 57 65.287 0.608 15.029 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.046 -0.207 13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.438 -1.511 14.523 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.906 -1.410 12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.566 1.628 12.764 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.378 0.476 12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.872 1.695 13.305 1.00 0.00 H new ATOM 812 N LYS A 58 62.137 -1.306 12.731 1.00 0.00 N ATOM 813 CA LYS A 58 61.650 -1.986 11.491 1.00 0.00 C ATOM 814 C LYS A 58 62.049 -1.177 10.253 1.00 0.00 C ATOM 815 O LYS A 58 61.893 0.032 10.225 1.00 0.00 O ATOM 816 CB LYS A 58 60.126 -2.030 11.625 1.00 0.00 C ATOM 817 CG LYS A 58 59.736 -2.967 12.770 1.00 0.00 C ATOM 818 CD LYS A 58 58.214 -3.128 12.799 1.00 0.00 C ATOM 819 CE LYS A 58 57.806 -3.956 14.019 1.00 0.00 C ATOM 820 NZ LYS A 58 56.429 -3.494 14.352 1.00 0.00 N ATOM 0 H LYS A 58 61.513 -0.587 13.097 1.00 0.00 H new ATOM 0 HA LYS A 58 62.078 -2.982 11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.739 -1.029 11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.679 -2.374 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.213 -3.938 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.088 -2.565 13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.736 -2.149 12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.873 -3.616 11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 58 57.822 -5.023 13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.489 -3.795 14.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.078 -4.016 15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.447 -2.476 14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 55.800 -3.667 13.542 1.00 0.00 H new ATOM 834 N PHE A 59 62.562 -1.839 9.240 1.00 0.00 N ATOM 835 CA PHE A 59 62.938 -1.140 7.973 1.00 0.00 C ATOM 836 C PHE A 59 62.112 -1.683 6.805 1.00 0.00 C ATOM 837 O PHE A 59 62.004 -2.885 6.626 1.00 0.00 O ATOM 838 CB PHE A 59 64.420 -1.457 7.767 1.00 0.00 C ATOM 839 CG PHE A 59 65.346 -0.599 8.597 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.611 0.750 8.208 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.964 -1.139 9.767 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.491 1.561 8.990 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.845 -0.330 10.548 1.00 0.00 C ATOM 844 CZ PHE A 59 67.108 1.019 10.161 1.00 0.00 C ATOM 0 H PHE A 59 62.737 -2.844 9.240 1.00 0.00 H new ATOM 0 HA PHE A 59 62.753 -0.067 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.595 -2.505 8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.667 -1.328 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.146 1.157 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.765 -2.159 10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.690 2.581 8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.312 -0.739 11.432 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.773 1.630 10.753 1.00 0.00 H new ATOM 854 N LYS A 60 61.534 -0.804 6.017 1.00 0.00 N ATOM 855 CA LYS A 60 60.790 -1.239 4.795 1.00 0.00 C ATOM 856 C LYS A 60 61.595 -0.903 3.537 1.00 0.00 C ATOM 857 O LYS A 60 62.241 0.128 3.469 1.00 0.00 O ATOM 858 CB LYS A 60 59.487 -0.438 4.820 1.00 0.00 C ATOM 859 CG LYS A 60 58.527 -0.998 3.768 1.00 0.00 C ATOM 860 CD LYS A 60 57.260 -0.143 3.723 1.00 0.00 C ATOM 861 CE LYS A 60 56.211 -0.831 2.848 1.00 0.00 C ATOM 862 NZ LYS A 60 54.920 -0.185 3.217 1.00 0.00 N ATOM 0 H LYS A 60 61.548 0.204 6.172 1.00 0.00 H new ATOM 0 HA LYS A 60 60.612 -2.314 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 60 59.032 -0.493 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.690 0.614 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 59.008 -1.006 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.273 -2.031 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.870 0.002 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.489 0.845 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.431 -0.697 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.183 -1.904 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.150 -0.604 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.734 -0.334 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 54.974 0.835 3.022 1.00 0.00 H new ATOM 876 N VAL A 61 61.559 -1.771 2.550 1.00 0.00 N ATOM 877 CA VAL A 61 62.254 -1.488 1.250 1.00 0.00 C ATOM 878 C VAL A 61 61.329 -0.653 0.359 1.00 0.00 C ATOM 879 O VAL A 61 60.296 -1.125 -0.081 1.00 0.00 O ATOM 880 CB VAL A 61 62.548 -2.865 0.615 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.294 -2.686 -0.715 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.426 -3.703 1.553 1.00 0.00 C ATOM 0 H VAL A 61 61.075 -2.668 2.590 1.00 0.00 H new ATOM 0 HA VAL A 61 63.177 -0.924 1.383 1.00 0.00 H new ATOM 0 HB VAL A 61 61.598 -3.371 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.496 -3.663 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.681 -2.101 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.236 -2.167 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.627 -4.671 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.368 -3.184 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.908 -3.850 2.501 1.00 0.00 H new ATOM 892 N VAL A 62 61.705 0.578 0.094 1.00 0.00 N ATOM 893 CA VAL A 62 60.803 1.516 -0.652 1.00 0.00 C ATOM 894 C VAL A 62 60.863 1.185 -2.148 1.00 0.00 C ATOM 895 O VAL A 62 59.845 1.151 -2.817 1.00 0.00 O ATOM 896 CB VAL A 62 61.334 2.939 -0.379 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.438 3.977 -1.066 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.341 3.223 1.128 1.00 0.00 C ATOM 0 H VAL A 62 62.605 0.975 0.365 1.00 0.00 H new ATOM 0 HA VAL A 62 59.764 1.431 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 62 62.349 3.005 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 62 60.822 4.978 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.432 3.798 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.422 3.894 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.718 4.230 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.327 3.140 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.984 2.501 1.631 1.00 0.00 H new ATOM 908 N GLN A 63 62.049 0.942 -2.664 1.00 0.00 N ATOM 909 CA GLN A 63 62.194 0.582 -4.111 1.00 0.00 C ATOM 910 C GLN A 63 63.563 -0.049 -4.373 1.00 0.00 C ATOM 911 O GLN A 63 64.575 0.438 -3.900 1.00 0.00 O ATOM 912 CB GLN A 63 62.063 1.905 -4.868 1.00 0.00 C ATOM 913 CG GLN A 63 61.724 1.624 -6.333 1.00 0.00 C ATOM 914 CD GLN A 63 60.240 1.266 -6.462 1.00 0.00 C ATOM 915 OE1 GLN A 63 59.407 1.801 -5.757 1.00 0.00 O ATOM 916 NE2 GLN A 63 59.871 0.377 -7.344 1.00 0.00 N ATOM 0 H GLN A 63 62.924 0.978 -2.141 1.00 0.00 H new ATOM 0 HA GLN A 63 61.446 -0.145 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.285 2.520 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 63 62.994 2.468 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 63 61.951 2.499 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.339 0.806 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.568 -0.073 -7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 63 58.885 0.133 -7.440 1.00 0.00 H new ATOM 925 N ALA A 64 63.590 -1.129 -5.121 1.00 0.00 N ATOM 926 CA ALA A 64 64.887 -1.724 -5.568 1.00 0.00 C ATOM 927 C ALA A 64 65.159 -1.341 -7.025 1.00 0.00 C ATOM 928 O ALA A 64 64.283 -1.437 -7.867 1.00 0.00 O ATOM 929 CB ALA A 64 64.695 -3.236 -5.436 1.00 0.00 C ATOM 0 H ALA A 64 62.759 -1.626 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 64 65.734 -1.371 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.606 -3.747 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.475 -3.486 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.867 -3.554 -6.069 1.00 0.00 H new ATOM 935 N TYR A 65 66.364 -0.910 -7.320 1.00 0.00 N ATOM 936 CA TYR A 65 66.696 -0.432 -8.698 1.00 0.00 C ATOM 937 C TYR A 65 67.973 -1.130 -9.212 1.00 0.00 C ATOM 938 O TYR A 65 69.027 -0.900 -8.653 1.00 0.00 O ATOM 939 CB TYR A 65 66.944 1.072 -8.534 1.00 0.00 C ATOM 940 CG TYR A 65 65.688 1.907 -8.639 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.815 1.747 -9.760 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.376 2.857 -7.620 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.629 2.538 -9.860 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.189 3.648 -7.720 1.00 0.00 C ATOM 945 CZ TYR A 65 63.316 3.489 -8.839 1.00 0.00 C ATOM 946 OH TYR A 65 62.171 4.253 -8.936 1.00 0.00 O ATOM 0 H TYR A 65 67.138 -0.869 -6.657 1.00 0.00 H new ATOM 0 HA TYR A 65 65.904 -0.648 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.410 1.252 -7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.653 1.400 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.052 1.029 -10.531 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.036 2.978 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 65 62.969 2.418 -10.707 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.953 4.366 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 65 62.108 4.848 -8.160 1.00 0.00 H new ATOM 956 N PRO A 66 67.893 -1.962 -10.247 1.00 0.00 N ATOM 957 CA PRO A 66 66.613 -2.538 -10.786 1.00 0.00 C ATOM 958 C PRO A 66 66.100 -3.644 -9.862 1.00 0.00 C ATOM 959 O PRO A 66 66.838 -4.150 -9.037 1.00 0.00 O ATOM 960 CB PRO A 66 67.034 -3.119 -12.133 1.00 0.00 C ATOM 961 CG PRO A 66 68.467 -3.478 -11.946 1.00 0.00 C ATOM 962 CD PRO A 66 69.049 -2.449 -11.017 1.00 0.00 C ATOM 0 HA PRO A 66 65.809 -1.806 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.436 -3.992 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.907 -2.394 -12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.564 -4.479 -11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 66 68.994 -3.481 -12.900 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.807 -2.884 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.529 -1.641 -11.569 1.00 0.00 H new ATOM 970 N SER A 67 64.848 -4.019 -9.996 1.00 0.00 N ATOM 971 CA SER A 67 64.300 -5.149 -9.184 1.00 0.00 C ATOM 972 C SER A 67 64.218 -6.426 -10.051 1.00 0.00 C ATOM 973 O SER A 67 63.869 -6.323 -11.210 1.00 0.00 O ATOM 974 CB SER A 67 62.898 -4.698 -8.774 1.00 0.00 C ATOM 975 OG SER A 67 62.999 -3.635 -7.837 1.00 0.00 O ATOM 0 H SER A 67 64.181 -3.588 -10.636 1.00 0.00 H new ATOM 0 HA SER A 67 64.924 -5.381 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.338 -4.373 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.349 -5.532 -8.337 1.00 0.00 H new ATOM 0 HG SER A 67 63.417 -2.859 -8.266 1.00 0.00 H new ATOM 981 N PRO A 68 64.531 -7.599 -9.510 1.00 0.00 N ATOM 982 CA PRO A 68 65.265 -7.765 -8.210 1.00 0.00 C ATOM 983 C PRO A 68 66.749 -7.424 -8.380 1.00 0.00 C ATOM 984 O PRO A 68 67.261 -7.406 -9.486 1.00 0.00 O ATOM 985 CB PRO A 68 65.087 -9.248 -7.894 1.00 0.00 C ATOM 986 CG PRO A 68 64.938 -9.892 -9.229 1.00 0.00 C ATOM 987 CD PRO A 68 64.206 -8.907 -10.098 1.00 0.00 C ATOM 0 HA PRO A 68 64.893 -7.111 -7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.946 -9.646 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.210 -9.419 -7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.912 -10.135 -9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.383 -10.827 -9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.534 -8.970 -11.136 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.132 -9.091 -10.092 1.00 0.00 H new ATOM 995 N LEU A 69 67.434 -7.154 -7.290 1.00 0.00 N ATOM 996 CA LEU A 69 68.927 -7.028 -7.332 1.00 0.00 C ATOM 997 C LEU A 69 69.552 -7.595 -6.051 1.00 0.00 C ATOM 998 O LEU A 69 68.906 -7.660 -5.020 1.00 0.00 O ATOM 999 CB LEU A 69 69.221 -5.525 -7.485 1.00 0.00 C ATOM 1000 CG LEU A 69 68.670 -4.719 -6.291 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.728 -4.657 -5.179 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.304 -3.292 -6.739 1.00 0.00 C ATOM 0 H LEU A 69 67.019 -7.015 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 69 69.357 -7.594 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.297 -5.370 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.776 -5.158 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 69 67.774 -5.212 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.337 -4.087 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.972 -5.668 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.627 -4.172 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.916 -2.732 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.192 -2.793 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.544 -3.339 -7.519 1.00 0.00 H new ATOM 1014 N ARG A 70 70.798 -8.007 -6.121 1.00 0.00 N ATOM 1015 CA ARG A 70 71.550 -8.385 -4.884 1.00 0.00 C ATOM 1016 C ARG A 70 72.311 -7.171 -4.345 1.00 0.00 C ATOM 1017 O ARG A 70 72.812 -6.361 -5.106 1.00 0.00 O ATOM 1018 CB ARG A 70 72.525 -9.487 -5.315 1.00 0.00 C ATOM 1019 CG ARG A 70 71.866 -10.858 -5.146 1.00 0.00 C ATOM 1020 CD ARG A 70 72.544 -11.873 -6.075 1.00 0.00 C ATOM 1021 NE ARG A 70 73.858 -12.204 -5.425 1.00 0.00 N ATOM 1022 CZ ARG A 70 74.509 -13.327 -5.680 1.00 0.00 C ATOM 1023 NH1 ARG A 70 74.067 -14.227 -6.532 1.00 0.00 N ATOM 1024 NH2 ARG A 70 75.640 -13.548 -5.067 1.00 0.00 N ATOM 0 H ARG A 70 71.327 -8.097 -6.988 1.00 0.00 H new ATOM 0 HA ARG A 70 70.887 -8.729 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.818 -9.340 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.435 -9.435 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.948 -11.187 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.803 -10.792 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 70 71.930 -12.766 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 70 72.694 -11.454 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 70 74.262 -11.540 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.189 -14.073 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 70 74.603 -15.079 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 70 76.005 -12.862 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 70 76.159 -14.407 -5.248 1.00 0.00 H new ATOM 1038 N VAL A 71 72.394 -7.050 -3.040 1.00 0.00 N ATOM 1039 CA VAL A 71 73.091 -5.875 -2.420 1.00 0.00 C ATOM 1040 C VAL A 71 74.602 -6.142 -2.398 1.00 0.00 C ATOM 1041 O VAL A 71 75.040 -7.193 -1.965 1.00 0.00 O ATOM 1042 CB VAL A 71 72.521 -5.747 -0.991 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.173 -4.568 -0.259 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.007 -5.506 -1.052 1.00 0.00 C ATOM 0 H VAL A 71 72.007 -7.718 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 71 72.932 -4.951 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 71 72.732 -6.673 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.760 -4.491 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.250 -4.728 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 71 72.973 -3.646 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.612 -5.417 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.807 -4.587 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.525 -6.343 -1.557 1.00 0.00 H new ATOM 1054 N GLU A 72 75.385 -5.196 -2.864 1.00 0.00 N ATOM 1055 CA GLU A 72 76.870 -5.377 -2.910 1.00 0.00 C ATOM 1056 C GLU A 72 77.569 -4.155 -2.307 1.00 0.00 C ATOM 1057 O GLU A 72 76.965 -3.108 -2.148 1.00 0.00 O ATOM 1058 CB GLU A 72 77.201 -5.509 -4.398 1.00 0.00 C ATOM 1059 CG GLU A 72 78.662 -5.936 -4.565 1.00 0.00 C ATOM 1060 CD GLU A 72 78.975 -6.122 -6.051 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.584 -5.270 -6.832 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.602 -7.114 -6.383 1.00 0.00 O ATOM 0 H GLU A 72 75.054 -4.298 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 72 77.203 -6.244 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.542 -6.242 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.029 -4.559 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.323 -5.183 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.844 -6.865 -4.025 1.00 0.00 H new ATOM 1069 N ASP A 73 78.835 -4.288 -1.973 1.00 0.00 N ATOM 1070 CA ASP A 73 79.613 -3.133 -1.394 1.00 0.00 C ATOM 1071 C ASP A 73 79.651 -1.944 -2.369 1.00 0.00 C ATOM 1072 O ASP A 73 79.743 -0.802 -1.953 1.00 0.00 O ATOM 1073 CB ASP A 73 81.036 -3.663 -1.120 1.00 0.00 C ATOM 1074 CG ASP A 73 81.683 -4.197 -2.407 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.233 -5.222 -2.891 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.616 -3.570 -2.881 1.00 0.00 O ATOM 0 H ASP A 73 79.368 -5.151 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 73 79.144 -2.767 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.651 -2.865 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 73 80.995 -4.456 -0.373 1.00 0.00 H new ATOM 1081 N ARG A 74 79.580 -2.215 -3.653 1.00 0.00 N ATOM 1082 CA ARG A 74 79.539 -1.111 -4.671 1.00 0.00 C ATOM 1083 C ARG A 74 78.118 -0.544 -4.824 1.00 0.00 C ATOM 1084 O ARG A 74 77.950 0.565 -5.302 1.00 0.00 O ATOM 1085 CB ARG A 74 80.001 -1.744 -5.988 1.00 0.00 C ATOM 1086 CG ARG A 74 81.469 -2.161 -5.871 1.00 0.00 C ATOM 1087 CD ARG A 74 81.976 -2.639 -7.237 1.00 0.00 C ATOM 1088 NE ARG A 74 83.297 -3.304 -6.970 1.00 0.00 N ATOM 1089 CZ ARG A 74 84.220 -3.445 -7.906 1.00 0.00 C ATOM 1090 NH1 ARG A 74 84.046 -3.030 -9.143 1.00 0.00 N ATOM 1091 NH2 ARG A 74 85.346 -4.026 -7.593 1.00 0.00 N ATOM 0 H ARG A 74 79.549 -3.157 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 74 80.175 -0.278 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.384 -2.611 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.878 -1.035 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.070 -1.321 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.574 -2.957 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.273 -3.335 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 74 82.091 -1.803 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 74 83.488 -3.659 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 74 83.171 -2.579 -9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 74 84.786 -3.159 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.500 -4.361 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 74 86.072 -4.145 -8.299 1.00 0.00 H new ATOM 1105 N THR A 75 77.104 -1.290 -4.427 1.00 0.00 N ATOM 1106 CA THR A 75 75.693 -0.778 -4.522 1.00 0.00 C ATOM 1107 C THR A 75 75.488 0.386 -3.547 1.00 0.00 C ATOM 1108 O THR A 75 75.906 0.324 -2.404 1.00 0.00 O ATOM 1109 CB THR A 75 74.789 -1.958 -4.143 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.161 -3.099 -4.901 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.329 -1.604 -4.435 1.00 0.00 C ATOM 0 H THR A 75 77.195 -2.230 -4.042 1.00 0.00 H new ATOM 0 HA THR A 75 75.466 -0.408 -5.522 1.00 0.00 H new ATOM 0 HB THR A 75 74.901 -2.173 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.795 -3.024 -5.807 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.690 -2.444 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.043 -0.728 -3.852 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.213 -1.387 -5.497 1.00 0.00 H new ATOM 1119 N LYS A 76 74.845 1.441 -3.999 1.00 0.00 N ATOM 1120 CA LYS A 76 74.590 2.626 -3.117 1.00 0.00 C ATOM 1121 C LYS A 76 73.290 2.427 -2.334 1.00 0.00 C ATOM 1122 O LYS A 76 72.309 1.948 -2.874 1.00 0.00 O ATOM 1123 CB LYS A 76 74.459 3.824 -4.063 1.00 0.00 C ATOM 1124 CG LYS A 76 75.798 4.082 -4.759 1.00 0.00 C ATOM 1125 CD LYS A 76 75.658 5.274 -5.707 1.00 0.00 C ATOM 1126 CE LYS A 76 76.765 5.219 -6.762 1.00 0.00 C ATOM 1127 NZ LYS A 76 76.725 6.551 -7.428 1.00 0.00 N ATOM 0 H LYS A 76 74.484 1.531 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 76 75.390 2.771 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.684 3.631 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.152 4.708 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.573 4.282 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.108 3.197 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 76 74.680 5.256 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 76 75.721 6.207 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 76 77.737 5.034 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 76 76.591 4.414 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 77.456 6.592 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 75.790 6.696 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 76.901 7.296 -6.724 1.00 0.00 H new ATOM 1141 N ILE A 77 73.280 2.790 -1.072 1.00 0.00 N ATOM 1142 CA ILE A 77 72.033 2.672 -0.247 1.00 0.00 C ATOM 1143 C ILE A 77 71.720 4.030 0.396 1.00 0.00 C ATOM 1144 O ILE A 77 72.579 4.645 1.005 1.00 0.00 O ATOM 1145 CB ILE A 77 72.337 1.593 0.813 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.648 0.258 0.120 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.124 1.394 1.733 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.261 -0.716 1.127 1.00 0.00 C ATOM 0 H ILE A 77 74.088 3.165 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 77 71.160 2.392 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 77 73.194 1.920 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.736 -0.165 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.337 0.420 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.352 0.630 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.892 2.332 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.266 1.078 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.480 -1.662 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.183 -0.294 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.557 -0.888 1.942 1.00 0.00 H new ATOM 1160 N THR A 78 70.495 4.489 0.260 1.00 0.00 N ATOM 1161 CA THR A 78 70.112 5.835 0.790 1.00 0.00 C ATOM 1162 C THR A 78 68.979 5.702 1.811 1.00 0.00 C ATOM 1163 O THR A 78 68.063 4.918 1.627 1.00 0.00 O ATOM 1164 CB THR A 78 69.637 6.623 -0.432 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.596 6.502 -1.474 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.472 8.097 -0.058 1.00 0.00 C ATOM 0 H THR A 78 69.739 3.981 -0.200 1.00 0.00 H new ATOM 0 HA THR A 78 70.942 6.327 1.298 1.00 0.00 H new ATOM 0 HB THR A 78 68.680 6.227 -0.770 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.292 7.005 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.134 8.658 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.737 8.189 0.741 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.428 8.496 0.281 1.00 0.00 H new ATOM 1174 N LEU A 79 69.044 6.465 2.879 1.00 0.00 N ATOM 1175 CA LEU A 79 67.953 6.453 3.901 1.00 0.00 C ATOM 1176 C LEU A 79 67.027 7.656 3.700 1.00 0.00 C ATOM 1177 O LEU A 79 67.468 8.792 3.732 1.00 0.00 O ATOM 1178 CB LEU A 79 68.672 6.551 5.249 1.00 0.00 C ATOM 1179 CG LEU A 79 69.447 5.258 5.512 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.506 5.507 6.589 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.479 4.174 5.992 1.00 0.00 C ATOM 0 H LEU A 79 69.815 7.100 3.085 1.00 0.00 H new ATOM 0 HA LEU A 79 67.333 5.559 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.353 7.402 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.949 6.722 6.047 1.00 0.00 H new ATOM 0 HG LEU A 79 69.933 4.932 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 79 71.058 4.586 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.195 6.280 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.020 5.832 7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.029 3.252 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.994 4.501 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.724 3.996 5.227 1.00 0.00 H new ATOM 1193 N VAL A 80 65.754 7.406 3.495 1.00 0.00 N ATOM 1194 CA VAL A 80 64.766 8.520 3.325 1.00 0.00 C ATOM 1195 C VAL A 80 64.120 8.839 4.680 1.00 0.00 C ATOM 1196 O VAL A 80 63.887 7.953 5.484 1.00 0.00 O ATOM 1197 CB VAL A 80 63.720 7.998 2.318 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.634 9.056 2.077 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.396 7.679 0.979 1.00 0.00 C ATOM 0 H VAL A 80 65.354 6.469 3.438 1.00 0.00 H new ATOM 0 HA VAL A 80 65.228 9.439 2.964 1.00 0.00 H new ATOM 0 HB VAL A 80 63.268 7.097 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.904 8.672 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.136 9.287 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.090 9.961 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.651 7.311 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.858 8.582 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.160 6.917 1.130 1.00 0.00 H new ATOM 1209 N THR A 81 63.838 10.099 4.927 1.00 0.00 N ATOM 1210 CA THR A 81 63.085 10.488 6.157 1.00 0.00 C ATOM 1211 C THR A 81 62.197 11.703 5.874 1.00 0.00 C ATOM 1212 O THR A 81 62.376 12.388 4.881 1.00 0.00 O ATOM 1213 CB THR A 81 64.159 10.838 7.190 1.00 0.00 C ATOM 1214 OG1 THR A 81 65.056 11.786 6.634 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.927 9.573 7.582 1.00 0.00 C ATOM 0 H THR A 81 64.101 10.877 4.322 1.00 0.00 H new ATOM 0 HA THR A 81 62.429 9.690 6.506 1.00 0.00 H new ATOM 0 HB THR A 81 63.686 11.261 8.076 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.743 12.013 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.691 9.825 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.237 8.846 8.010 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.401 9.146 6.698 1.00 0.00 H new ATOM 1223 N HIS A 82 61.244 11.967 6.742 1.00 0.00 N ATOM 1224 CA HIS A 82 60.340 13.145 6.560 1.00 0.00 C ATOM 1225 C HIS A 82 60.421 14.071 7.793 1.00 0.00 C ATOM 1226 O HIS A 82 59.681 13.876 8.743 1.00 0.00 O ATOM 1227 CB HIS A 82 58.939 12.546 6.413 1.00 0.00 C ATOM 1228 CG HIS A 82 57.932 13.503 5.836 1.00 0.00 C ATOM 1229 ND1 HIS A 82 57.668 14.736 6.412 1.00 0.00 N ATOM 1230 CD2 HIS A 82 57.117 13.423 4.733 1.00 0.00 C ATOM 1231 CE1 HIS A 82 56.730 15.342 5.662 1.00 0.00 C ATOM 1232 NE2 HIS A 82 56.358 14.586 4.626 1.00 0.00 N ATOM 0 H HIS A 82 61.055 11.409 7.575 1.00 0.00 H new ATOM 0 HA HIS A 82 60.611 13.752 5.696 1.00 0.00 H new ATOM 0 HB2 HIS A 82 58.995 11.663 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 82 58.591 12.212 7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 82 57.072 12.586 4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 82 56.327 16.321 5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 82 55.667 14.812 3.910 1.00 0.00 H new ATOM 1240 N PRO A 83 61.318 15.050 7.753 1.00 0.00 N ATOM 1241 CA PRO A 83 61.451 15.995 8.898 1.00 0.00 C ATOM 1242 C PRO A 83 60.219 16.902 8.984 1.00 0.00 C ATOM 1243 O PRO A 83 60.014 17.491 10.032 1.00 0.00 O ATOM 1244 CB PRO A 83 62.706 16.804 8.566 1.00 0.00 C ATOM 1245 CG PRO A 83 62.862 16.696 7.086 1.00 0.00 C ATOM 1246 CD PRO A 83 62.275 15.374 6.675 1.00 0.00 C ATOM 1247 OXT PRO A 83 59.504 16.991 7.999 1.00 0.00 O ATOM 0 HA PRO A 83 61.526 15.490 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 83 62.598 17.843 8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 83 63.579 16.407 9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 83 62.351 17.517 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 83 63.913 16.755 6.804 1.00 0.00 H new ATOM 0 HD2 PRO A 83 61.777 15.443 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 83 63.045 14.608 6.583 1.00 0.00 H new TER 1255 PRO A 83