USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 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 13 SER OG : rot 180:sc= 0.037 USER MOD Set 1.2: A 75 THR OG1 : rot -160:sc= -0.132 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.359 USER MOD Set 2.2: A 67 SER OG : rot 66:sc= -1.72! USER MOD Single : A 12 MET CE :methyl 139:sc= -0.258 (180deg=-1.18) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -133:sc=-0.000398 (180deg=-0.136) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0414) USER MOD Single : A 38 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.28) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.175) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 9:sc= 0.927 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0475) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0951 K(o=-0.095,f=-1.3!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 8 78.359 -4.030 -23.161 1.00 0.00 N ATOM 2 CA GLU A 8 78.871 -2.627 -23.092 1.00 0.00 C ATOM 3 C GLU A 8 77.888 -1.742 -22.319 1.00 0.00 C ATOM 4 O GLU A 8 76.685 -1.898 -22.437 1.00 0.00 O ATOM 5 CB GLU A 8 78.972 -2.172 -24.549 1.00 0.00 C ATOM 6 CG GLU A 8 79.708 -0.832 -24.619 1.00 0.00 C ATOM 7 CD GLU A 8 79.681 -0.305 -26.056 1.00 0.00 C ATOM 8 OE1 GLU A 8 78.625 -0.354 -26.664 1.00 0.00 O ATOM 9 OE2 GLU A 8 80.718 0.139 -26.522 1.00 0.00 O ATOM 0 HA GLU A 8 79.829 -2.561 -22.576 1.00 0.00 H new ATOM 0 HB2 GLU A 8 79.502 -2.920 -25.138 1.00 0.00 H new ATOM 0 HB3 GLU A 8 77.976 -2.074 -24.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 79.238 -0.112 -23.948 1.00 0.00 H new ATOM 0 HG3 GLU A 8 80.738 -0.954 -24.285 1.00 0.00 H new ATOM 16 N GLY A 9 78.399 -0.820 -21.534 1.00 0.00 N ATOM 17 CA GLY A 9 77.519 0.092 -20.737 1.00 0.00 C ATOM 18 C GLY A 9 77.609 -0.281 -19.254 1.00 0.00 C ATOM 19 O GLY A 9 77.499 -1.440 -18.897 1.00 0.00 O ATOM 0 H GLY A 9 79.399 -0.661 -21.412 1.00 0.00 H new ATOM 0 HA2 GLY A 9 77.825 1.128 -20.882 1.00 0.00 H new ATOM 0 HA3 GLY A 9 76.488 0.013 -21.081 1.00 0.00 H new ATOM 23 N VAL A 10 77.807 0.699 -18.401 1.00 0.00 N ATOM 24 CA VAL A 10 77.914 0.430 -16.929 1.00 0.00 C ATOM 25 C VAL A 10 76.520 0.524 -16.293 1.00 0.00 C ATOM 26 O VAL A 10 75.747 1.408 -16.617 1.00 0.00 O ATOM 27 CB VAL A 10 78.856 1.518 -16.370 1.00 0.00 C ATOM 28 CG1 VAL A 10 79.060 1.320 -14.864 1.00 0.00 C ATOM 29 CG2 VAL A 10 80.225 1.437 -17.059 1.00 0.00 C ATOM 0 H VAL A 10 77.900 1.680 -18.664 1.00 0.00 H new ATOM 0 HA VAL A 10 78.303 -0.565 -16.713 1.00 0.00 H new ATOM 0 HB VAL A 10 78.401 2.490 -16.558 1.00 0.00 H new ATOM 0 HG11 VAL A 10 79.726 2.094 -14.482 1.00 0.00 H new ATOM 0 HG12 VAL A 10 78.098 1.386 -14.355 1.00 0.00 H new ATOM 0 HG13 VAL A 10 79.501 0.340 -14.682 1.00 0.00 H new ATOM 0 HG21 VAL A 10 80.881 2.209 -16.657 1.00 0.00 H new ATOM 0 HG22 VAL A 10 80.666 0.456 -16.879 1.00 0.00 H new ATOM 0 HG23 VAL A 10 80.102 1.588 -18.131 1.00 0.00 H new ATOM 39 N ILE A 11 76.207 -0.384 -15.395 1.00 0.00 N ATOM 40 CA ILE A 11 74.871 -0.368 -14.716 1.00 0.00 C ATOM 41 C ILE A 11 75.045 0.073 -13.256 1.00 0.00 C ATOM 42 O ILE A 11 75.742 -0.571 -12.491 1.00 0.00 O ATOM 43 CB ILE A 11 74.345 -1.819 -14.799 1.00 0.00 C ATOM 44 CG1 ILE A 11 74.249 -2.294 -16.269 1.00 0.00 C ATOM 45 CG2 ILE A 11 72.962 -1.927 -14.135 1.00 0.00 C ATOM 46 CD1 ILE A 11 73.315 -1.393 -17.095 1.00 0.00 C ATOM 0 H ILE A 11 76.826 -1.140 -15.102 1.00 0.00 H new ATOM 0 HA ILE A 11 74.173 0.327 -15.183 1.00 0.00 H new ATOM 0 HB ILE A 11 75.052 -2.458 -14.270 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.243 -2.297 -16.717 1.00 0.00 H new ATOM 0 HG13 ILE A 11 73.884 -3.321 -16.297 1.00 0.00 H new ATOM 0 HG21 ILE A 11 72.606 -2.955 -14.202 1.00 0.00 H new ATOM 0 HG22 ILE A 11 73.038 -1.637 -13.087 1.00 0.00 H new ATOM 0 HG23 ILE A 11 72.261 -1.266 -14.645 1.00 0.00 H new ATOM 0 HD11 ILE A 11 73.272 -1.757 -18.122 1.00 0.00 H new ATOM 0 HD12 ILE A 11 72.315 -1.411 -16.662 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.695 -0.371 -17.088 1.00 0.00 H new ATOM 58 N MET A 12 74.414 1.163 -12.880 1.00 0.00 N ATOM 59 CA MET A 12 74.425 1.596 -11.446 1.00 0.00 C ATOM 60 C MET A 12 73.275 0.927 -10.673 1.00 0.00 C ATOM 61 O MET A 12 72.112 1.131 -10.979 1.00 0.00 O ATOM 62 CB MET A 12 74.300 3.135 -11.467 1.00 0.00 C ATOM 63 CG MET A 12 72.933 3.604 -11.996 1.00 0.00 C ATOM 64 SD MET A 12 73.045 5.335 -12.511 1.00 0.00 S ATOM 65 CE MET A 12 74.029 5.066 -14.005 1.00 0.00 C ATOM 0 H MET A 12 73.890 1.772 -13.508 1.00 0.00 H new ATOM 0 HA MET A 12 75.339 1.298 -10.933 1.00 0.00 H new ATOM 0 HB2 MET A 12 74.449 3.523 -10.459 1.00 0.00 H new ATOM 0 HB3 MET A 12 75.091 3.553 -12.090 1.00 0.00 H new ATOM 0 HG2 MET A 12 72.624 2.983 -12.837 1.00 0.00 H new ATOM 0 HG3 MET A 12 72.174 3.493 -11.222 1.00 0.00 H new ATOM 0 HE1 MET A 12 73.656 5.704 -14.806 1.00 0.00 H new ATOM 0 HE2 MET A 12 75.072 5.310 -13.803 1.00 0.00 H new ATOM 0 HE3 MET A 12 73.953 4.022 -14.308 1.00 0.00 H new ATOM 75 N SER A 13 73.605 0.129 -9.683 1.00 0.00 N ATOM 76 CA SER A 13 72.558 -0.504 -8.822 1.00 0.00 C ATOM 77 C SER A 13 72.401 0.284 -7.518 1.00 0.00 C ATOM 78 O SER A 13 73.367 0.800 -6.981 1.00 0.00 O ATOM 79 CB SER A 13 73.075 -1.914 -8.537 1.00 0.00 C ATOM 80 OG SER A 13 74.424 -1.841 -8.098 1.00 0.00 O ATOM 0 H SER A 13 74.565 -0.112 -9.434 1.00 0.00 H new ATOM 0 HA SER A 13 71.581 -0.520 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 13 72.459 -2.393 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 13 73.006 -2.527 -9.435 1.00 0.00 H new ATOM 0 HG SER A 13 74.757 -2.744 -7.913 1.00 0.00 H new ATOM 86 N GLU A 14 71.192 0.371 -7.011 1.00 0.00 N ATOM 87 CA GLU A 14 70.923 1.224 -5.813 1.00 0.00 C ATOM 88 C GLU A 14 69.762 0.656 -4.990 1.00 0.00 C ATOM 89 O GLU A 14 68.852 0.047 -5.526 1.00 0.00 O ATOM 90 CB GLU A 14 70.560 2.598 -6.378 1.00 0.00 C ATOM 91 CG GLU A 14 70.517 3.624 -5.244 1.00 0.00 C ATOM 92 CD GLU A 14 70.034 4.970 -5.788 1.00 0.00 C ATOM 93 OE1 GLU A 14 69.069 4.975 -6.535 1.00 0.00 O ATOM 94 OE2 GLU A 14 70.639 5.974 -5.449 1.00 0.00 O ATOM 0 H GLU A 14 70.376 -0.117 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 14 71.783 1.269 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.292 2.899 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.593 2.553 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.850 3.280 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.507 3.733 -4.801 1.00 0.00 H new ATOM 101 N LEU A 15 69.800 0.860 -3.692 1.00 0.00 N ATOM 102 CA LEU A 15 68.680 0.421 -2.803 1.00 0.00 C ATOM 103 C LEU A 15 68.205 1.598 -1.943 1.00 0.00 C ATOM 104 O LEU A 15 68.980 2.178 -1.202 1.00 0.00 O ATOM 105 CB LEU A 15 69.292 -0.674 -1.925 1.00 0.00 C ATOM 106 CG LEU A 15 68.200 -1.640 -1.458 1.00 0.00 C ATOM 107 CD1 LEU A 15 68.852 -2.871 -0.826 1.00 0.00 C ATOM 108 CD2 LEU A 15 67.315 -0.950 -0.419 1.00 0.00 C ATOM 0 H LEU A 15 70.571 1.319 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 15 67.814 0.064 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 15 70.054 -1.216 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.787 -0.227 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 15 67.592 -1.941 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 68.078 -3.562 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 69.486 -3.365 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 15 69.457 -2.565 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 66.538 -1.639 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 15 67.923 -0.650 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 15 66.853 -0.068 -0.863 1.00 0.00 H new ATOM 120 N LYS A 16 66.943 1.952 -2.045 1.00 0.00 N ATOM 121 CA LYS A 16 66.390 3.067 -1.214 1.00 0.00 C ATOM 122 C LYS A 16 65.528 2.511 -0.076 1.00 0.00 C ATOM 123 O LYS A 16 64.684 1.658 -0.293 1.00 0.00 O ATOM 124 CB LYS A 16 65.536 3.900 -2.172 1.00 0.00 C ATOM 125 CG LYS A 16 66.416 4.930 -2.894 1.00 0.00 C ATOM 126 CD LYS A 16 65.584 6.166 -3.240 1.00 0.00 C ATOM 127 CE LYS A 16 66.437 7.146 -4.050 1.00 0.00 C ATOM 128 NZ LYS A 16 65.547 8.316 -4.295 1.00 0.00 N ATOM 0 H LYS A 16 66.270 1.512 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 16 67.180 3.660 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 16 65.051 3.250 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.745 4.408 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.257 5.212 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.832 4.494 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.703 5.876 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.228 6.645 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.332 7.438 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.770 6.699 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.060 9.033 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.707 8.008 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.252 8.724 -3.385 1.00 0.00 H new ATOM 142 N LEU A 17 65.739 3.001 1.126 1.00 0.00 N ATOM 143 CA LEU A 17 65.031 2.445 2.321 1.00 0.00 C ATOM 144 C LEU A 17 64.353 3.565 3.116 1.00 0.00 C ATOM 145 O LEU A 17 64.766 4.709 3.056 1.00 0.00 O ATOM 146 CB LEU A 17 66.128 1.794 3.165 1.00 0.00 C ATOM 147 CG LEU A 17 66.671 0.564 2.436 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.074 0.242 2.955 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.746 -0.628 2.690 1.00 0.00 C ATOM 0 H LEU A 17 66.378 3.770 1.329 1.00 0.00 H new ATOM 0 HA LEU A 17 64.251 1.739 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 17 66.933 2.507 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.730 1.507 4.138 1.00 0.00 H new ATOM 0 HG LEU A 17 66.718 0.766 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.462 -0.635 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.733 1.092 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.028 0.039 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.132 -1.505 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.699 -0.831 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.747 -0.398 2.320 1.00 0.00 H new ATOM 161 N LYS A 18 63.317 3.234 3.853 1.00 0.00 N ATOM 162 CA LYS A 18 62.690 4.217 4.790 1.00 0.00 C ATOM 163 C LYS A 18 62.505 3.573 6.180 1.00 0.00 C ATOM 164 O LYS A 18 61.953 2.489 6.257 1.00 0.00 O ATOM 165 CB LYS A 18 61.329 4.540 4.167 1.00 0.00 C ATOM 166 CG LYS A 18 60.673 5.693 4.930 1.00 0.00 C ATOM 167 CD LYS A 18 59.230 5.864 4.452 1.00 0.00 C ATOM 168 CE LYS A 18 58.602 7.077 5.143 1.00 0.00 C ATOM 169 NZ LYS A 18 57.136 6.819 5.112 1.00 0.00 N ATOM 0 H LYS A 18 62.876 2.314 3.843 1.00 0.00 H new ATOM 0 HA LYS A 18 63.300 5.110 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.453 4.809 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.687 3.660 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.691 5.492 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.232 6.615 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.208 5.997 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.653 4.966 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.963 7.180 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.852 8.001 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.635 7.608 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 56.820 6.732 4.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.928 5.936 5.621 1.00 0.00 H new ATOM 183 N PRO A 19 62.967 4.233 7.238 1.00 0.00 N ATOM 184 CA PRO A 19 62.740 3.700 8.610 1.00 0.00 C ATOM 185 C PRO A 19 61.287 3.928 9.035 1.00 0.00 C ATOM 186 O PRO A 19 60.712 4.964 8.751 1.00 0.00 O ATOM 187 CB PRO A 19 63.696 4.515 9.480 1.00 0.00 C ATOM 188 CG PRO A 19 63.888 5.798 8.744 1.00 0.00 C ATOM 189 CD PRO A 19 63.728 5.500 7.278 1.00 0.00 C ATOM 0 HA PRO A 19 62.916 2.627 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.278 4.688 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.643 3.995 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.158 6.540 9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.875 6.213 8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.193 6.300 6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.695 5.398 6.786 1.00 0.00 H new ATOM 197 N LEU A 20 60.698 2.966 9.711 1.00 0.00 N ATOM 198 CA LEU A 20 59.295 3.131 10.221 1.00 0.00 C ATOM 199 C LEU A 20 59.210 3.986 11.523 1.00 0.00 C ATOM 200 O LEU A 20 58.380 4.879 11.539 1.00 0.00 O ATOM 201 CB LEU A 20 58.720 1.715 10.391 1.00 0.00 C ATOM 202 CG LEU A 20 58.594 1.048 9.020 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.550 -0.472 9.191 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.308 1.522 8.339 1.00 0.00 C ATOM 0 H LEU A 20 61.131 2.069 9.932 1.00 0.00 H new ATOM 0 HA LEU A 20 58.699 3.700 9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.368 1.123 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 57.745 1.763 10.875 1.00 0.00 H new ATOM 0 HG LEU A 20 59.453 1.318 8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.460 -0.946 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.466 -0.810 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.692 -0.744 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.217 1.047 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.450 1.252 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.340 2.604 8.215 1.00 0.00 H new ATOM 216 N PRO A 21 60.010 3.747 12.582 1.00 0.00 N ATOM 217 CA PRO A 21 60.076 4.756 13.684 1.00 0.00 C ATOM 218 C PRO A 21 60.780 6.026 13.194 1.00 0.00 C ATOM 219 O PRO A 21 61.549 5.985 12.249 1.00 0.00 O ATOM 220 CB PRO A 21 60.891 4.070 14.783 1.00 0.00 C ATOM 221 CG PRO A 21 61.696 3.037 14.074 1.00 0.00 C ATOM 222 CD PRO A 21 60.879 2.586 12.898 1.00 0.00 C ATOM 0 HA PRO A 21 59.091 5.062 14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.532 4.782 15.303 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.242 3.619 15.533 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.651 3.448 13.747 1.00 0.00 H new ATOM 0 HG3 PRO A 21 61.919 2.199 14.735 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.513 2.323 12.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.288 1.703 13.140 1.00 0.00 H new ATOM 230 N LYS A 22 60.517 7.146 13.832 1.00 0.00 N ATOM 231 CA LYS A 22 61.149 8.438 13.407 1.00 0.00 C ATOM 232 C LYS A 22 62.541 8.576 14.030 1.00 0.00 C ATOM 233 O LYS A 22 62.676 8.982 15.172 1.00 0.00 O ATOM 234 CB LYS A 22 60.219 9.541 13.923 1.00 0.00 C ATOM 235 CG LYS A 22 60.641 10.886 13.328 1.00 0.00 C ATOM 236 CD LYS A 22 59.747 11.995 13.887 1.00 0.00 C ATOM 237 CE LYS A 22 60.116 13.327 13.232 1.00 0.00 C ATOM 238 NZ LYS A 22 59.422 13.313 11.915 1.00 0.00 N ATOM 0 H LYS A 22 59.889 7.219 14.632 1.00 0.00 H new ATOM 0 HA LYS A 22 61.275 8.492 12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.187 9.318 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.258 9.585 15.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.685 11.090 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.564 10.855 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.699 11.762 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.868 12.064 14.968 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.790 14.170 13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.195 13.421 13.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.085 13.607 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.079 12.352 11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.616 13.970 11.940 1.00 0.00 H new ATOM 252 N VAL A 23 63.569 8.237 13.283 1.00 0.00 N ATOM 253 CA VAL A 23 64.970 8.366 13.795 1.00 0.00 C ATOM 254 C VAL A 23 65.922 8.739 12.646 1.00 0.00 C ATOM 255 O VAL A 23 65.790 8.239 11.541 1.00 0.00 O ATOM 256 CB VAL A 23 65.303 6.987 14.405 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.255 5.882 13.340 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.699 7.022 15.037 1.00 0.00 C ATOM 0 H VAL A 23 63.494 7.874 12.333 1.00 0.00 H new ATOM 0 HA VAL A 23 65.078 9.155 14.539 1.00 0.00 H new ATOM 0 HB VAL A 23 64.555 6.766 15.167 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.494 4.923 13.800 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.256 5.838 12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.981 6.100 12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.929 6.047 15.466 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.438 7.266 14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.724 7.778 15.821 1.00 0.00 H new ATOM 268 N GLU A 24 66.870 9.612 12.910 1.00 0.00 N ATOM 269 CA GLU A 24 67.878 9.990 11.872 1.00 0.00 C ATOM 270 C GLU A 24 69.230 9.347 12.196 1.00 0.00 C ATOM 271 O GLU A 24 69.847 9.667 13.197 1.00 0.00 O ATOM 272 CB GLU A 24 67.976 11.514 11.951 1.00 0.00 C ATOM 273 CG GLU A 24 68.800 12.037 10.772 1.00 0.00 C ATOM 274 CD GLU A 24 69.001 13.546 10.918 1.00 0.00 C ATOM 275 OE1 GLU A 24 68.031 14.227 11.209 1.00 0.00 O ATOM 276 OE2 GLU A 24 70.120 13.996 10.735 1.00 0.00 O ATOM 0 H GLU A 24 66.986 10.080 13.809 1.00 0.00 H new ATOM 0 HA GLU A 24 67.594 9.653 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.979 11.954 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.440 11.810 12.892 1.00 0.00 H new ATOM 0 HG2 GLU A 24 69.766 11.533 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 24 68.292 11.816 9.833 1.00 0.00 H new ATOM 283 N LEU A 25 69.686 8.447 11.351 1.00 0.00 N ATOM 284 CA LEU A 25 70.964 7.716 11.624 1.00 0.00 C ATOM 285 C LEU A 25 72.144 8.431 10.933 1.00 0.00 C ATOM 286 O LEU A 25 72.063 8.689 9.746 1.00 0.00 O ATOM 287 CB LEU A 25 70.763 6.321 11.023 1.00 0.00 C ATOM 288 CG LEU A 25 69.683 5.573 11.808 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.170 4.397 10.975 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.272 5.051 13.121 1.00 0.00 C ATOM 0 H LEU A 25 69.223 8.188 10.480 1.00 0.00 H new ATOM 0 HA LEU A 25 71.193 7.673 12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.473 6.404 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.699 5.764 11.052 1.00 0.00 H new ATOM 0 HG LEU A 25 68.858 6.251 12.026 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.401 3.864 11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.748 4.769 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.995 3.719 10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.502 4.519 13.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 71.098 4.373 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.636 5.889 13.715 1.00 0.00 H new ATOM 302 N PRO A 26 73.207 8.739 11.672 1.00 0.00 N ATOM 303 CA PRO A 26 74.408 9.389 11.055 1.00 0.00 C ATOM 304 C PRO A 26 75.005 8.526 9.919 1.00 0.00 C ATOM 305 O PRO A 26 74.660 7.367 9.797 1.00 0.00 O ATOM 306 CB PRO A 26 75.397 9.512 12.217 1.00 0.00 C ATOM 307 CG PRO A 26 74.549 9.464 13.442 1.00 0.00 C ATOM 308 CD PRO A 26 73.411 8.540 13.123 1.00 0.00 C ATOM 0 HA PRO A 26 74.165 10.348 10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 26 76.124 8.700 12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.960 10.444 12.161 1.00 0.00 H new ATOM 0 HG2 PRO A 26 75.119 9.100 14.297 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.183 10.457 13.702 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.657 7.504 13.356 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.517 8.792 13.693 1.00 0.00 H new ATOM 316 N PRO A 27 75.885 9.117 9.120 1.00 0.00 N ATOM 317 CA PRO A 27 76.374 8.446 7.875 1.00 0.00 C ATOM 318 C PRO A 27 77.206 7.181 8.162 1.00 0.00 C ATOM 319 O PRO A 27 77.530 6.454 7.240 1.00 0.00 O ATOM 320 CB PRO A 27 77.245 9.518 7.201 1.00 0.00 C ATOM 321 CG PRO A 27 76.848 10.799 7.852 1.00 0.00 C ATOM 322 CD PRO A 27 76.506 10.446 9.267 1.00 0.00 C ATOM 0 HA PRO A 27 75.544 8.100 7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.306 9.313 7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 27 77.070 9.550 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.660 11.525 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.995 11.249 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.391 10.413 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.821 11.168 9.712 1.00 0.00 H new ATOM 330 N ASP A 28 77.562 6.915 9.402 1.00 0.00 N ATOM 331 CA ASP A 28 78.343 5.669 9.717 1.00 0.00 C ATOM 332 C ASP A 28 77.428 4.433 9.676 1.00 0.00 C ATOM 333 O ASP A 28 77.866 3.344 9.338 1.00 0.00 O ATOM 334 CB ASP A 28 78.956 5.883 11.116 1.00 0.00 C ATOM 335 CG ASP A 28 77.871 6.033 12.198 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.799 6.525 11.887 1.00 0.00 O ATOM 337 OD2 ASP A 28 78.138 5.650 13.325 1.00 0.00 O ATOM 0 H ASP A 28 77.346 7.504 10.206 1.00 0.00 H new ATOM 0 HA ASP A 28 79.128 5.490 8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.602 5.040 11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.584 6.774 11.105 1.00 0.00 H new ATOM 342 N PHE A 29 76.164 4.597 10.010 1.00 0.00 N ATOM 343 CA PHE A 29 75.217 3.426 10.044 1.00 0.00 C ATOM 344 C PHE A 29 75.112 2.759 8.666 1.00 0.00 C ATOM 345 O PHE A 29 75.177 1.550 8.558 1.00 0.00 O ATOM 346 CB PHE A 29 73.855 3.992 10.470 1.00 0.00 C ATOM 347 CG PHE A 29 73.650 3.983 11.965 1.00 0.00 C ATOM 348 CD1 PHE A 29 74.118 5.075 12.758 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.990 2.879 12.587 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.924 5.064 14.175 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.795 2.868 14.004 1.00 0.00 C ATOM 352 CZ PHE A 29 73.262 3.961 14.797 1.00 0.00 C ATOM 0 H PHE A 29 75.746 5.493 10.261 1.00 0.00 H new ATOM 0 HA PHE A 29 75.569 2.661 10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.763 5.014 10.103 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.063 3.411 9.997 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.618 5.909 12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.638 2.053 11.987 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.278 5.889 14.775 1.00 0.00 H new ATOM 0 HE2 PHE A 29 72.295 2.034 14.474 1.00 0.00 H new ATOM 0 HZ PHE A 29 73.115 3.953 15.867 1.00 0.00 H new ATOM 362 N VAL A 30 74.959 3.542 7.619 1.00 0.00 N ATOM 363 CA VAL A 30 74.659 2.963 6.259 1.00 0.00 C ATOM 364 C VAL A 30 75.771 1.987 5.822 1.00 0.00 C ATOM 365 O VAL A 30 75.512 1.008 5.145 1.00 0.00 O ATOM 366 CB VAL A 30 74.535 4.172 5.304 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.869 4.922 5.190 1.00 0.00 C ATOM 368 CG2 VAL A 30 74.095 3.690 3.917 1.00 0.00 C ATOM 0 H VAL A 30 75.029 4.559 7.645 1.00 0.00 H new ATOM 0 HA VAL A 30 73.739 2.378 6.258 1.00 0.00 H new ATOM 0 HB VAL A 30 73.790 4.856 5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.754 5.768 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 30 76.168 5.283 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.633 4.248 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 30 74.008 4.544 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.834 2.992 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.129 3.190 3.995 1.00 0.00 H new ATOM 378 N ASP A 31 76.996 2.258 6.220 1.00 0.00 N ATOM 379 CA ASP A 31 78.134 1.341 5.877 1.00 0.00 C ATOM 380 C ASP A 31 78.004 0.030 6.658 1.00 0.00 C ATOM 381 O ASP A 31 78.216 -1.040 6.117 1.00 0.00 O ATOM 382 CB ASP A 31 79.413 2.080 6.287 1.00 0.00 C ATOM 383 CG ASP A 31 79.589 3.327 5.417 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.405 3.218 4.215 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.904 4.370 5.966 1.00 0.00 O ATOM 0 H ASP A 31 77.256 3.077 6.769 1.00 0.00 H new ATOM 0 HA ASP A 31 78.143 1.091 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.360 2.363 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.276 1.423 6.177 1.00 0.00 H new ATOM 390 N VAL A 32 77.646 0.114 7.921 1.00 0.00 N ATOM 391 CA VAL A 32 77.548 -1.123 8.773 1.00 0.00 C ATOM 392 C VAL A 32 76.363 -1.978 8.297 1.00 0.00 C ATOM 393 O VAL A 32 76.457 -3.192 8.232 1.00 0.00 O ATOM 394 CB VAL A 32 77.342 -0.639 10.226 1.00 0.00 C ATOM 395 CG1 VAL A 32 77.266 -1.839 11.179 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.515 0.251 10.654 1.00 0.00 C ATOM 0 H VAL A 32 77.417 0.985 8.400 1.00 0.00 H new ATOM 0 HA VAL A 32 78.444 -1.740 8.704 1.00 0.00 H new ATOM 0 HB VAL A 32 76.411 -0.074 10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 32 77.121 -1.485 12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 32 76.430 -2.477 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 32 78.193 -2.409 11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 32 78.361 0.587 11.679 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.443 -0.317 10.594 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.575 1.116 9.994 1.00 0.00 H new ATOM 406 N ILE A 33 75.258 -1.349 7.959 1.00 0.00 N ATOM 407 CA ILE A 33 74.061 -2.103 7.438 1.00 0.00 C ATOM 408 C ILE A 33 74.413 -2.796 6.109 1.00 0.00 C ATOM 409 O ILE A 33 74.072 -3.946 5.899 1.00 0.00 O ATOM 410 CB ILE A 33 72.947 -1.042 7.252 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.597 -0.381 8.605 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.682 -1.673 6.648 1.00 0.00 C ATOM 413 CD1 ILE A 33 72.100 -1.417 9.630 1.00 0.00 C ATOM 0 H ILE A 33 75.131 -0.339 8.021 1.00 0.00 H new ATOM 0 HA ILE A 33 73.736 -2.889 8.120 1.00 0.00 H new ATOM 0 HB ILE A 33 73.323 -0.282 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.476 0.129 8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.829 0.378 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.915 -0.907 6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.919 -2.105 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 33 71.313 -2.455 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.864 -0.916 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 33 71.206 -1.909 9.246 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.878 -2.161 9.802 1.00 0.00 H new ATOM 425 N ARG A 34 75.096 -2.101 5.223 1.00 0.00 N ATOM 426 CA ARG A 34 75.494 -2.706 3.900 1.00 0.00 C ATOM 427 C ARG A 34 76.375 -3.949 4.103 1.00 0.00 C ATOM 428 O ARG A 34 76.203 -4.947 3.426 1.00 0.00 O ATOM 429 CB ARG A 34 76.281 -1.616 3.163 1.00 0.00 C ATOM 430 CG ARG A 34 76.502 -2.036 1.707 1.00 0.00 C ATOM 431 CD ARG A 34 77.199 -0.901 0.948 1.00 0.00 C ATOM 432 NE ARG A 34 78.577 -0.802 1.541 1.00 0.00 N ATOM 433 CZ ARG A 34 79.300 0.303 1.464 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.879 1.387 0.849 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.484 0.316 2.013 1.00 0.00 N ATOM 0 H ARG A 34 75.397 -1.136 5.358 1.00 0.00 H new ATOM 0 HA ARG A 34 74.618 -3.029 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.737 -0.672 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.240 -1.451 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 34 77.108 -2.941 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.547 -2.270 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.247 -1.115 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.656 0.037 1.061 1.00 0.00 H new ATOM 0 HE ARG A 34 78.967 -1.614 2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.960 1.398 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.471 2.217 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.834 -0.515 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.059 1.157 1.966 1.00 0.00 H new ATOM 449 N ILE A 35 77.304 -3.888 5.030 1.00 0.00 N ATOM 450 CA ILE A 35 78.237 -5.047 5.268 1.00 0.00 C ATOM 451 C ILE A 35 77.448 -6.259 5.797 1.00 0.00 C ATOM 452 O ILE A 35 77.696 -7.383 5.396 1.00 0.00 O ATOM 453 CB ILE A 35 79.272 -4.551 6.304 1.00 0.00 C ATOM 454 CG1 ILE A 35 80.071 -3.383 5.715 1.00 0.00 C ATOM 455 CG2 ILE A 35 80.251 -5.673 6.674 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.713 -2.581 6.847 1.00 0.00 C ATOM 0 H ILE A 35 77.459 -3.083 5.637 1.00 0.00 H new ATOM 0 HA ILE A 35 78.732 -5.371 4.352 1.00 0.00 H new ATOM 0 HB ILE A 35 78.734 -4.232 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.840 -3.759 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.416 -2.741 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.970 -5.302 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.700 -6.511 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.779 -6.004 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.281 -1.751 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.935 -2.193 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.381 -3.227 7.417 1.00 0.00 H new ATOM 468 N LYS A 36 76.514 -6.029 6.691 1.00 0.00 N ATOM 469 CA LYS A 36 75.677 -7.155 7.232 1.00 0.00 C ATOM 470 C LYS A 36 74.781 -7.751 6.138 1.00 0.00 C ATOM 471 O LYS A 36 74.648 -8.958 6.034 1.00 0.00 O ATOM 472 CB LYS A 36 74.815 -6.542 8.343 1.00 0.00 C ATOM 473 CG LYS A 36 75.711 -6.118 9.509 1.00 0.00 C ATOM 474 CD LYS A 36 74.843 -5.746 10.713 1.00 0.00 C ATOM 475 CE LYS A 36 74.147 -4.409 10.449 1.00 0.00 C ATOM 476 NZ LYS A 36 73.642 -3.970 11.780 1.00 0.00 N ATOM 0 H LYS A 36 76.293 -5.109 7.071 1.00 0.00 H new ATOM 0 HA LYS A 36 76.305 -7.965 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 74.267 -5.681 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 74.074 -7.265 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 36 76.389 -6.929 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 36 76.328 -5.269 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 36 74.102 -6.524 10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 36 75.458 -5.677 11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 36 74.839 -3.679 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 73.331 -4.522 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 72.851 -3.307 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 73.315 -4.798 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 74.407 -3.498 12.303 1.00 0.00 H new ATOM 490 N LEU A 37 74.177 -6.914 5.326 1.00 0.00 N ATOM 491 CA LEU A 37 73.050 -7.376 4.449 1.00 0.00 C ATOM 492 C LEU A 37 73.554 -7.904 3.099 1.00 0.00 C ATOM 493 O LEU A 37 72.915 -8.746 2.494 1.00 0.00 O ATOM 494 CB LEU A 37 72.167 -6.141 4.239 1.00 0.00 C ATOM 495 CG LEU A 37 71.404 -5.829 5.527 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.756 -4.447 5.412 1.00 0.00 C ATOM 497 CD2 LEU A 37 70.316 -6.882 5.747 1.00 0.00 C ATOM 0 H LEU A 37 74.417 -5.927 5.232 1.00 0.00 H new ATOM 0 HA LEU A 37 72.510 -8.202 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.781 -5.287 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.466 -6.317 3.423 1.00 0.00 H new ATOM 0 HG LEU A 37 72.096 -5.841 6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.212 -4.223 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.529 -3.695 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 70.065 -4.438 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.773 -6.658 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.624 -6.872 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.775 -7.868 5.828 1.00 0.00 H new ATOM 509 N GLN A 38 74.686 -7.420 2.622 1.00 0.00 N ATOM 510 CA GLN A 38 75.188 -7.794 1.244 1.00 0.00 C ATOM 511 C GLN A 38 75.202 -9.320 1.018 1.00 0.00 C ATOM 512 O GLN A 38 75.443 -10.085 1.934 1.00 0.00 O ATOM 513 CB GLN A 38 76.616 -7.223 1.136 1.00 0.00 C ATOM 514 CG GLN A 38 77.521 -7.796 2.237 1.00 0.00 C ATOM 515 CD GLN A 38 78.921 -7.189 2.118 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.904 -7.903 2.097 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.054 -5.894 2.038 1.00 0.00 N ATOM 0 H GLN A 38 75.291 -6.776 3.132 1.00 0.00 H new ATOM 0 HA GLN A 38 74.525 -7.386 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 38 77.033 -7.459 0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.584 -6.136 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.101 -7.576 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.575 -8.881 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.229 -5.295 2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 38 79.983 -5.481 1.958 1.00 0.00 H new ATOM 526 N GLY A 39 74.944 -9.744 -0.200 1.00 0.00 N ATOM 527 CA GLY A 39 74.809 -11.206 -0.498 1.00 0.00 C ATOM 528 C GLY A 39 73.333 -11.630 -0.474 1.00 0.00 C ATOM 529 O GLY A 39 72.967 -12.605 -1.108 1.00 0.00 O ATOM 0 H GLY A 39 74.820 -9.132 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.240 -11.424 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.371 -11.785 0.235 1.00 0.00 H new ATOM 533 N LYS A 40 72.491 -10.918 0.247 1.00 0.00 N ATOM 534 CA LYS A 40 71.023 -11.223 0.237 1.00 0.00 C ATOM 535 C LYS A 40 70.335 -10.453 -0.895 1.00 0.00 C ATOM 536 O LYS A 40 70.815 -9.416 -1.322 1.00 0.00 O ATOM 537 CB LYS A 40 70.493 -10.760 1.599 1.00 0.00 C ATOM 538 CG LYS A 40 71.116 -11.602 2.716 1.00 0.00 C ATOM 539 CD LYS A 40 70.535 -13.018 2.679 1.00 0.00 C ATOM 540 CE LYS A 40 71.009 -13.797 3.907 1.00 0.00 C ATOM 541 NZ LYS A 40 72.422 -14.165 3.606 1.00 0.00 N ATOM 0 H LYS A 40 72.762 -10.136 0.843 1.00 0.00 H new ATOM 0 HA LYS A 40 70.829 -12.283 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.729 -9.707 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.407 -10.851 1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 40 72.199 -11.639 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 70.918 -11.142 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.446 -12.975 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.849 -13.528 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.943 -13.190 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 40 70.397 -14.683 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 72.513 -15.201 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 72.695 -13.769 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 73.045 -13.782 4.345 1.00 0.00 H new ATOM 555 N THR A 41 69.222 -10.959 -1.376 1.00 0.00 N ATOM 556 CA THR A 41 68.488 -10.284 -2.491 1.00 0.00 C ATOM 557 C THR A 41 67.306 -9.482 -1.943 1.00 0.00 C ATOM 558 O THR A 41 66.704 -9.855 -0.951 1.00 0.00 O ATOM 559 CB THR A 41 67.995 -11.423 -3.386 1.00 0.00 C ATOM 560 OG1 THR A 41 69.076 -12.299 -3.673 1.00 0.00 O ATOM 561 CG2 THR A 41 67.443 -10.848 -4.692 1.00 0.00 C ATOM 0 H THR A 41 68.789 -11.819 -1.039 1.00 0.00 H new ATOM 0 HA THR A 41 69.120 -9.581 -3.034 1.00 0.00 H new ATOM 0 HB THR A 41 67.206 -11.973 -2.872 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.762 -13.030 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.092 -11.661 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.614 -10.176 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.229 -10.297 -5.208 1.00 0.00 H new ATOM 569 N VAL A 42 66.978 -8.386 -2.589 1.00 0.00 N ATOM 570 CA VAL A 42 65.897 -7.480 -2.083 1.00 0.00 C ATOM 571 C VAL A 42 64.902 -7.154 -3.203 1.00 0.00 C ATOM 572 O VAL A 42 65.288 -6.978 -4.347 1.00 0.00 O ATOM 573 CB VAL A 42 66.607 -6.200 -1.596 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.516 -6.538 -0.412 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.454 -5.579 -2.720 1.00 0.00 C ATOM 0 H VAL A 42 67.419 -8.078 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 42 65.328 -7.948 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 42 65.846 -5.481 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.017 -5.633 -0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.918 -6.952 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.261 -7.270 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.944 -4.678 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.209 -6.295 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.810 -5.323 -3.562 1.00 0.00 H new ATOM 585 N ARG A 43 63.633 -7.080 -2.872 1.00 0.00 N ATOM 586 CA ARG A 43 62.607 -6.592 -3.844 1.00 0.00 C ATOM 587 C ARG A 43 61.675 -5.589 -3.155 1.00 0.00 C ATOM 588 O ARG A 43 61.376 -5.718 -1.982 1.00 0.00 O ATOM 589 CB ARG A 43 61.833 -7.843 -4.265 1.00 0.00 C ATOM 590 CG ARG A 43 60.905 -7.501 -5.433 1.00 0.00 C ATOM 591 CD ARG A 43 60.006 -8.704 -5.743 1.00 0.00 C ATOM 592 NE ARG A 43 60.924 -9.780 -6.249 1.00 0.00 N ATOM 593 CZ ARG A 43 60.601 -11.062 -6.205 1.00 0.00 C ATOM 594 NH1 ARG A 43 59.450 -11.490 -5.733 1.00 0.00 N ATOM 595 NH2 ARG A 43 61.457 -11.938 -6.656 1.00 0.00 N ATOM 0 H ARG A 43 63.263 -7.341 -1.958 1.00 0.00 H new ATOM 0 HA ARG A 43 63.051 -6.084 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 43 62.527 -8.632 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.252 -8.224 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 60.295 -6.633 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 43 61.492 -7.237 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 43 59.472 -9.033 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 43 59.254 -8.448 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 43 61.827 -9.513 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 43 58.763 -10.823 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 43 59.244 -12.489 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 43 62.353 -11.628 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 43 61.230 -12.932 -6.632 1.00 0.00 H new ATOM 609 N THR A 44 61.212 -4.593 -3.883 1.00 0.00 N ATOM 610 CA THR A 44 60.381 -3.493 -3.265 1.00 0.00 C ATOM 611 C THR A 44 59.165 -4.058 -2.512 1.00 0.00 C ATOM 612 O THR A 44 58.506 -4.967 -2.986 1.00 0.00 O ATOM 613 CB THR A 44 59.908 -2.625 -4.438 1.00 0.00 C ATOM 614 OG1 THR A 44 61.012 -2.332 -5.283 1.00 0.00 O ATOM 615 CG2 THR A 44 59.314 -1.322 -3.903 1.00 0.00 C ATOM 0 H THR A 44 61.374 -4.492 -4.885 1.00 0.00 H new ATOM 0 HA THR A 44 60.965 -2.930 -2.537 1.00 0.00 H new ATOM 0 HB THR A 44 59.148 -3.162 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.711 -1.779 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.978 -0.706 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.467 -1.547 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.072 -0.782 -3.336 1.00 0.00 H new ATOM 623 N GLY A 45 58.877 -3.519 -1.349 1.00 0.00 N ATOM 624 CA GLY A 45 57.677 -3.957 -0.570 1.00 0.00 C ATOM 625 C GLY A 45 58.064 -4.950 0.541 1.00 0.00 C ATOM 626 O GLY A 45 57.293 -5.161 1.461 1.00 0.00 O ATOM 0 H GLY A 45 59.430 -2.787 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.189 -3.087 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.955 -4.422 -1.241 1.00 0.00 H new ATOM 630 N ASP A 46 59.236 -5.556 0.469 1.00 0.00 N ATOM 631 CA ASP A 46 59.693 -6.471 1.576 1.00 0.00 C ATOM 632 C ASP A 46 59.883 -5.690 2.880 1.00 0.00 C ATOM 633 O ASP A 46 60.177 -4.507 2.861 1.00 0.00 O ATOM 634 CB ASP A 46 61.036 -7.055 1.120 1.00 0.00 C ATOM 635 CG ASP A 46 60.818 -8.032 -0.040 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.844 -8.767 -0.004 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.639 -8.034 -0.942 1.00 0.00 O ATOM 0 H ASP A 46 59.892 -5.456 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 46 58.956 -7.251 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.704 -6.252 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.520 -7.568 1.951 1.00 0.00 H new ATOM 642 N VAL A 47 59.717 -6.350 4.003 1.00 0.00 N ATOM 643 CA VAL A 47 59.941 -5.688 5.331 1.00 0.00 C ATOM 644 C VAL A 47 60.808 -6.602 6.208 1.00 0.00 C ATOM 645 O VAL A 47 60.545 -7.786 6.322 1.00 0.00 O ATOM 646 CB VAL A 47 58.537 -5.492 5.942 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.646 -4.798 7.306 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.676 -4.619 5.021 1.00 0.00 C ATOM 0 H VAL A 47 59.433 -7.328 4.057 1.00 0.00 H new ATOM 0 HA VAL A 47 60.460 -4.733 5.245 1.00 0.00 H new ATOM 0 HB VAL A 47 58.077 -6.473 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.650 -4.665 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.246 -5.411 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.120 -3.824 7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.688 -4.488 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.149 -3.645 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.578 -5.102 4.049 1.00 0.00 H new ATOM 658 N ILE A 48 61.833 -6.050 6.819 1.00 0.00 N ATOM 659 CA ILE A 48 62.740 -6.868 7.690 1.00 0.00 C ATOM 660 C ILE A 48 63.073 -6.105 8.978 1.00 0.00 C ATOM 661 O ILE A 48 63.085 -4.887 8.994 1.00 0.00 O ATOM 662 CB ILE A 48 64.011 -7.149 6.862 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.695 -5.841 6.415 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.640 -7.978 5.627 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.667 -5.344 7.497 1.00 0.00 C ATOM 0 H ILE A 48 62.081 -5.063 6.751 1.00 0.00 H new ATOM 0 HA ILE A 48 62.266 -7.802 7.991 1.00 0.00 H new ATOM 0 HB ILE A 48 64.711 -7.700 7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.234 -6.006 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.941 -5.079 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.537 -8.178 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.195 -8.922 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.924 -7.425 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.140 -4.420 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.119 -5.159 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.432 -6.100 7.674 1.00 0.00 H new ATOM 677 N GLY A 49 63.339 -6.820 10.049 1.00 0.00 N ATOM 678 CA GLY A 49 63.633 -6.166 11.362 1.00 0.00 C ATOM 679 C GLY A 49 65.119 -6.322 11.696 1.00 0.00 C ATOM 680 O GLY A 49 65.707 -7.359 11.449 1.00 0.00 O ATOM 0 H GLY A 49 63.364 -7.840 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.369 -5.109 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.025 -6.615 12.147 1.00 0.00 H new ATOM 684 N ILE A 50 65.720 -5.292 12.252 1.00 0.00 N ATOM 685 CA ILE A 50 67.146 -5.381 12.706 1.00 0.00 C ATOM 686 C ILE A 50 67.223 -5.034 14.199 1.00 0.00 C ATOM 687 O ILE A 50 66.583 -4.102 14.656 1.00 0.00 O ATOM 688 CB ILE A 50 67.920 -4.356 11.849 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.806 -4.723 10.362 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.405 -4.353 12.239 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.294 -3.554 9.501 1.00 0.00 C ATOM 0 H ILE A 50 65.278 -4.387 12.411 1.00 0.00 H new ATOM 0 HA ILE A 50 67.566 -6.379 12.585 1.00 0.00 H new ATOM 0 HB ILE A 50 67.491 -3.369 12.023 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.398 -5.614 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.772 -4.962 10.115 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.940 -3.626 11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.504 -4.086 13.291 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.826 -5.345 12.075 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.211 -3.819 8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.684 -2.674 9.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.335 -3.336 9.740 1.00 0.00 H new ATOM 703 N SER A 51 67.996 -5.785 14.951 1.00 0.00 N ATOM 704 CA SER A 51 68.278 -5.413 16.376 1.00 0.00 C ATOM 705 C SER A 51 69.521 -4.520 16.452 1.00 0.00 C ATOM 706 O SER A 51 70.595 -4.915 16.032 1.00 0.00 O ATOM 707 CB SER A 51 68.532 -6.739 17.097 1.00 0.00 C ATOM 708 OG SER A 51 69.731 -7.321 16.604 1.00 0.00 O ATOM 0 H SER A 51 68.446 -6.645 14.636 1.00 0.00 H new ATOM 0 HA SER A 51 67.454 -4.858 16.825 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.610 -6.572 18.171 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.694 -7.418 16.940 1.00 0.00 H new ATOM 0 HG SER A 51 70.188 -6.682 16.018 1.00 0.00 H new ATOM 714 N ILE A 52 69.375 -3.326 16.982 1.00 0.00 N ATOM 715 CA ILE A 52 70.545 -2.396 17.119 1.00 0.00 C ATOM 716 C ILE A 52 70.605 -1.857 18.557 1.00 0.00 C ATOM 717 O ILE A 52 69.639 -1.323 19.067 1.00 0.00 O ATOM 718 CB ILE A 52 70.297 -1.256 16.107 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.194 -1.823 14.682 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.460 -0.253 16.149 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.645 -0.752 13.734 1.00 0.00 C ATOM 0 H ILE A 52 68.490 -2.954 17.327 1.00 0.00 H new ATOM 0 HA ILE A 52 71.495 -2.891 16.920 1.00 0.00 H new ATOM 0 HB ILE A 52 69.365 -0.758 16.375 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.175 -2.155 14.341 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.542 -2.696 14.675 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.276 0.547 15.432 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.541 0.169 17.151 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.389 -0.762 15.894 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.574 -1.160 12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.656 -0.441 14.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.314 0.109 13.731 1.00 0.00 H new ATOM 733 N LEU A 53 71.746 -2.000 19.208 1.00 0.00 N ATOM 734 CA LEU A 53 71.962 -1.431 20.589 1.00 0.00 C ATOM 735 C LEU A 53 70.838 -1.836 21.558 1.00 0.00 C ATOM 736 O LEU A 53 70.486 -1.087 22.453 1.00 0.00 O ATOM 737 CB LEU A 53 71.995 0.093 20.408 1.00 0.00 C ATOM 738 CG LEU A 53 73.228 0.485 19.590 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.042 1.896 19.029 1.00 0.00 C ATOM 740 CD2 LEU A 53 74.466 0.454 20.488 1.00 0.00 C ATOM 0 H LEU A 53 72.553 -2.498 18.831 1.00 0.00 H new ATOM 0 HA LEU A 53 72.885 -1.813 21.025 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.089 0.429 19.904 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.020 0.585 21.381 1.00 0.00 H new ATOM 0 HG LEU A 53 73.356 -0.219 18.768 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.920 2.175 18.447 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.160 1.920 18.389 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.913 2.600 19.851 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.345 0.733 19.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.337 1.158 21.310 1.00 0.00 H new ATOM 0 HD23 LEU A 53 74.600 -0.551 20.888 1.00 0.00 H new ATOM 752 N GLY A 54 70.285 -3.014 21.375 1.00 0.00 N ATOM 753 CA GLY A 54 69.223 -3.517 22.301 1.00 0.00 C ATOM 754 C GLY A 54 67.873 -2.851 21.989 1.00 0.00 C ATOM 755 O GLY A 54 67.016 -2.771 22.852 1.00 0.00 O ATOM 0 H GLY A 54 70.528 -3.652 20.617 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.132 -4.599 22.205 1.00 0.00 H new ATOM 0 HA3 GLY A 54 69.506 -3.312 23.333 1.00 0.00 H new ATOM 759 N LYS A 55 67.677 -2.376 20.773 1.00 0.00 N ATOM 760 CA LYS A 55 66.386 -1.713 20.407 1.00 0.00 C ATOM 761 C LYS A 55 65.893 -2.233 19.053 1.00 0.00 C ATOM 762 O LYS A 55 66.649 -2.293 18.100 1.00 0.00 O ATOM 763 CB LYS A 55 66.719 -0.223 20.321 1.00 0.00 C ATOM 764 CG LYS A 55 65.426 0.585 20.190 1.00 0.00 C ATOM 765 CD LYS A 55 65.765 2.072 20.065 1.00 0.00 C ATOM 766 CE LYS A 55 64.478 2.896 20.136 1.00 0.00 C ATOM 767 NZ LYS A 55 64.792 4.161 19.415 1.00 0.00 N ATOM 0 H LYS A 55 68.363 -2.422 20.019 1.00 0.00 H new ATOM 0 HA LYS A 55 65.596 -1.913 21.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.267 0.090 21.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.367 -0.034 19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 55 64.865 0.254 19.316 1.00 0.00 H new ATOM 0 HG3 LYS A 55 64.790 0.418 21.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.444 2.369 20.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.279 2.261 19.122 1.00 0.00 H new ATOM 0 HE2 LYS A 55 63.646 2.370 19.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 64.190 3.091 21.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 63.957 4.780 19.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 65.583 4.643 19.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 65.056 3.944 18.433 1.00 0.00 H new ATOM 781 N GLU A 56 64.635 -2.608 18.973 1.00 0.00 N ATOM 782 CA GLU A 56 64.078 -3.155 17.692 1.00 0.00 C ATOM 783 C GLU A 56 63.715 -2.013 16.738 1.00 0.00 C ATOM 784 O GLU A 56 63.013 -1.090 17.110 1.00 0.00 O ATOM 785 CB GLU A 56 62.820 -3.936 18.091 1.00 0.00 C ATOM 786 CG GLU A 56 62.317 -4.744 16.891 1.00 0.00 C ATOM 787 CD GLU A 56 61.000 -5.433 17.253 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.151 -4.778 17.836 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.861 -6.604 16.940 1.00 0.00 O ATOM 0 H GLU A 56 63.968 -2.558 19.743 1.00 0.00 H new ATOM 0 HA GLU A 56 64.800 -3.787 17.175 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.042 -4.603 18.924 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.045 -3.249 18.431 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.172 -4.088 16.033 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.061 -5.487 16.602 1.00 0.00 H new ATOM 796 N VAL A 57 64.193 -2.079 15.516 1.00 0.00 N ATOM 797 CA VAL A 57 63.780 -1.088 14.468 1.00 0.00 C ATOM 798 C VAL A 57 63.294 -1.830 13.210 1.00 0.00 C ATOM 799 O VAL A 57 63.941 -2.747 12.739 1.00 0.00 O ATOM 800 CB VAL A 57 65.037 -0.230 14.193 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.207 -1.100 13.713 1.00 0.00 C ATOM 802 CG2 VAL A 57 64.731 0.829 13.125 1.00 0.00 C ATOM 0 H VAL A 57 64.858 -2.784 15.197 1.00 0.00 H new ATOM 0 HA VAL A 57 62.950 -0.457 14.787 1.00 0.00 H new ATOM 0 HB VAL A 57 65.318 0.256 15.128 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.077 -0.470 13.528 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.450 -1.838 14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 57 65.926 -1.611 12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.623 1.427 12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.426 0.337 12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.926 1.476 13.474 1.00 0.00 H new ATOM 812 N LYS A 58 62.158 -1.430 12.683 1.00 0.00 N ATOM 813 CA LYS A 58 61.639 -2.041 11.419 1.00 0.00 C ATOM 814 C LYS A 58 62.027 -1.180 10.212 1.00 0.00 C ATOM 815 O LYS A 58 61.856 0.028 10.229 1.00 0.00 O ATOM 816 CB LYS A 58 60.117 -2.067 11.585 1.00 0.00 C ATOM 817 CG LYS A 58 59.738 -3.057 12.689 1.00 0.00 C ATOM 818 CD LYS A 58 58.215 -3.180 12.765 1.00 0.00 C ATOM 819 CE LYS A 58 57.832 -4.076 13.945 1.00 0.00 C ATOM 820 NZ LYS A 58 57.842 -3.174 15.130 1.00 0.00 N ATOM 0 H LYS A 58 61.565 -0.701 13.079 1.00 0.00 H new ATOM 0 HA LYS A 58 62.050 -3.036 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.751 -1.071 11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.643 -2.355 10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.182 -4.031 12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.134 -2.719 13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 58 57.766 -2.194 12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.827 -3.598 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 58 56.849 -4.524 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.541 -4.895 14.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 58.226 -3.684 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 58.436 -2.344 14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.872 -2.863 15.338 1.00 0.00 H new ATOM 834 N PHE A 59 62.545 -1.798 9.175 1.00 0.00 N ATOM 835 CA PHE A 59 62.893 -1.050 7.927 1.00 0.00 C ATOM 836 C PHE A 59 62.065 -1.571 6.749 1.00 0.00 C ATOM 837 O PHE A 59 61.970 -2.769 6.539 1.00 0.00 O ATOM 838 CB PHE A 59 64.377 -1.335 7.693 1.00 0.00 C ATOM 839 CG PHE A 59 65.300 -0.535 8.583 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.571 0.837 8.284 1.00 0.00 C ATOM 841 CD2 PHE A 59 65.912 -1.153 9.717 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.451 1.590 9.122 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.792 -0.400 10.553 1.00 0.00 C ATOM 844 CZ PHE A 59 67.061 0.970 10.257 1.00 0.00 C ATOM 0 H PHE A 59 62.743 -2.798 9.142 1.00 0.00 H new ATOM 0 HA PHE A 59 62.688 0.017 8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.563 -2.397 7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.618 -1.123 6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.111 1.304 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.709 -2.190 9.942 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.655 2.627 8.898 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.254 -0.868 11.410 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.726 1.539 10.891 1.00 0.00 H new ATOM 854 N LYS A 60 61.470 -0.678 5.990 1.00 0.00 N ATOM 855 CA LYS A 60 60.726 -1.088 4.759 1.00 0.00 C ATOM 856 C LYS A 60 61.568 -0.802 3.513 1.00 0.00 C ATOM 857 O LYS A 60 62.212 0.229 3.422 1.00 0.00 O ATOM 858 CB LYS A 60 59.460 -0.227 4.757 1.00 0.00 C ATOM 859 CG LYS A 60 58.501 -0.738 3.678 1.00 0.00 C ATOM 860 CD LYS A 60 57.275 0.174 3.610 1.00 0.00 C ATOM 861 CE LYS A 60 56.273 -0.393 2.602 1.00 0.00 C ATOM 862 NZ LYS A 60 55.457 0.776 2.172 1.00 0.00 N ATOM 0 H LYS A 60 61.470 0.325 6.175 1.00 0.00 H new ATOM 0 HA LYS A 60 60.496 -2.153 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.979 -0.265 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.716 0.816 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 60 59.004 -0.761 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.195 -1.760 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.812 0.253 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.573 1.180 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.782 -0.852 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 60 55.650 -1.164 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.746 0.467 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.979 1.188 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 56.076 1.490 1.738 1.00 0.00 H new ATOM 876 N VAL A 61 61.563 -1.709 2.562 1.00 0.00 N ATOM 877 CA VAL A 61 62.303 -1.483 1.275 1.00 0.00 C ATOM 878 C VAL A 61 61.447 -0.604 0.357 1.00 0.00 C ATOM 879 O VAL A 61 60.391 -1.016 -0.091 1.00 0.00 O ATOM 880 CB VAL A 61 62.528 -2.879 0.655 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.320 -2.754 -0.652 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.322 -3.765 1.623 1.00 0.00 C ATOM 0 H VAL A 61 61.075 -2.602 2.622 1.00 0.00 H new ATOM 0 HA VAL A 61 63.256 -0.977 1.426 1.00 0.00 H new ATOM 0 HB VAL A 61 61.554 -3.326 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.473 -3.744 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.764 -2.135 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.287 -2.293 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.475 -4.747 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.289 -3.305 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.767 -3.873 2.555 1.00 0.00 H new ATOM 892 N VAL A 62 61.906 0.595 0.078 1.00 0.00 N ATOM 893 CA VAL A 62 61.063 1.586 -0.669 1.00 0.00 C ATOM 894 C VAL A 62 61.124 1.269 -2.167 1.00 0.00 C ATOM 895 O VAL A 62 60.113 1.290 -2.849 1.00 0.00 O ATOM 896 CB VAL A 62 61.666 2.976 -0.372 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.845 4.071 -1.065 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.652 3.243 1.139 1.00 0.00 C ATOM 0 H VAL A 62 62.833 0.931 0.337 1.00 0.00 H new ATOM 0 HA VAL A 62 60.017 1.551 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 62 62.690 2.990 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.281 5.046 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.851 3.903 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.819 4.043 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 62 62.079 4.226 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.626 3.212 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.241 2.481 1.649 1.00 0.00 H new ATOM 908 N GLN A 63 62.303 0.977 -2.673 1.00 0.00 N ATOM 909 CA GLN A 63 62.464 0.708 -4.137 1.00 0.00 C ATOM 910 C GLN A 63 63.806 0.024 -4.413 1.00 0.00 C ATOM 911 O GLN A 63 64.843 0.479 -3.965 1.00 0.00 O ATOM 912 CB GLN A 63 62.425 2.085 -4.806 1.00 0.00 C ATOM 913 CG GLN A 63 62.185 1.918 -6.308 1.00 0.00 C ATOM 914 CD GLN A 63 60.718 1.561 -6.561 1.00 0.00 C ATOM 915 OE1 GLN A 63 59.835 2.045 -5.881 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.419 0.730 -7.522 1.00 0.00 N ATOM 0 H GLN A 63 63.164 0.914 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 63 61.685 0.046 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.634 2.692 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.364 2.611 -4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.440 2.840 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 63 62.833 1.136 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 63 61.160 0.323 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.445 0.487 -7.702 1.00 0.00 H new ATOM 925 N ALA A 64 63.780 -1.067 -5.146 1.00 0.00 N ATOM 926 CA ALA A 64 65.044 -1.707 -5.621 1.00 0.00 C ATOM 927 C ALA A 64 65.285 -1.357 -7.093 1.00 0.00 C ATOM 928 O ALA A 64 64.378 -1.422 -7.904 1.00 0.00 O ATOM 929 CB ALA A 64 64.813 -3.210 -5.457 1.00 0.00 C ATOM 0 H ALA A 64 62.926 -1.543 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 64 65.917 -1.368 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.700 -3.752 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.617 -3.436 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.957 -3.514 -6.060 1.00 0.00 H new ATOM 935 N TYR A 65 66.498 -0.986 -7.434 1.00 0.00 N ATOM 936 CA TYR A 65 66.828 -0.631 -8.851 1.00 0.00 C ATOM 937 C TYR A 65 68.078 -1.408 -9.316 1.00 0.00 C ATOM 938 O TYR A 65 69.137 -1.187 -8.763 1.00 0.00 O ATOM 939 CB TYR A 65 67.125 0.870 -8.814 1.00 0.00 C ATOM 940 CG TYR A 65 65.894 1.738 -8.941 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.971 1.519 -10.011 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.654 2.780 -7.993 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.808 2.342 -10.131 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.492 3.603 -8.113 1.00 0.00 C ATOM 945 CZ TYR A 65 63.568 3.384 -9.183 1.00 0.00 C ATOM 946 OH TYR A 65 62.447 4.179 -9.299 1.00 0.00 O ATOM 0 H TYR A 65 67.280 -0.914 -6.783 1.00 0.00 H new ATOM 0 HA TYR A 65 66.021 -0.879 -9.540 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.631 1.108 -7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.816 1.114 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.152 0.732 -10.728 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.351 2.946 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.110 2.176 -10.939 1.00 0.00 H new ATOM 0 HE2 TYR A 65 64.311 4.390 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 65 62.436 4.837 -8.573 1.00 0.00 H new ATOM 956 N PRO A 66 67.970 -2.293 -10.302 1.00 0.00 N ATOM 957 CA PRO A 66 66.672 -2.857 -10.805 1.00 0.00 C ATOM 958 C PRO A 66 66.104 -3.855 -9.794 1.00 0.00 C ATOM 959 O PRO A 66 66.813 -4.317 -8.920 1.00 0.00 O ATOM 960 CB PRO A 66 67.074 -3.568 -12.096 1.00 0.00 C ATOM 961 CG PRO A 66 68.497 -3.949 -11.877 1.00 0.00 C ATOM 962 CD PRO A 66 69.108 -2.858 -11.044 1.00 0.00 C ATOM 0 HA PRO A 66 65.902 -2.101 -10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.451 -4.444 -12.279 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.966 -2.914 -12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.567 -4.911 -11.369 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.022 -4.052 -12.827 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.869 -3.250 -10.369 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.592 -2.105 -11.666 1.00 0.00 H new ATOM 970 N SER A 67 64.839 -4.190 -9.912 1.00 0.00 N ATOM 971 CA SER A 67 64.224 -5.182 -8.977 1.00 0.00 C ATOM 972 C SER A 67 64.098 -6.555 -9.674 1.00 0.00 C ATOM 973 O SER A 67 63.810 -6.590 -10.854 1.00 0.00 O ATOM 974 CB SER A 67 62.838 -4.620 -8.661 1.00 0.00 C ATOM 975 OG SER A 67 62.965 -3.535 -7.754 1.00 0.00 O ATOM 0 H SER A 67 64.206 -3.816 -10.619 1.00 0.00 H new ATOM 0 HA SER A 67 64.821 -5.329 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.351 -4.287 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.208 -5.398 -8.229 1.00 0.00 H new ATOM 0 HG SER A 67 63.439 -2.797 -8.191 1.00 0.00 H new ATOM 981 N PRO A 68 64.307 -7.658 -8.963 1.00 0.00 N ATOM 982 CA PRO A 68 65.089 -7.702 -7.682 1.00 0.00 C ATOM 983 C PRO A 68 66.588 -7.525 -7.955 1.00 0.00 C ATOM 984 O PRO A 68 67.039 -7.680 -9.076 1.00 0.00 O ATOM 985 CB PRO A 68 64.801 -9.101 -7.141 1.00 0.00 C ATOM 986 CG PRO A 68 64.504 -9.912 -8.356 1.00 0.00 C ATOM 987 CD PRO A 68 63.808 -8.994 -9.320 1.00 0.00 C ATOM 0 HA PRO A 68 64.814 -6.909 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.656 -9.500 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 68 63.957 -9.095 -6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.421 -10.309 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.873 -10.766 -8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.046 -9.246 -10.353 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.725 -9.056 -9.218 1.00 0.00 H new ATOM 995 N LEU A 69 67.351 -7.199 -6.934 1.00 0.00 N ATOM 996 CA LEU A 69 68.842 -7.152 -7.068 1.00 0.00 C ATOM 997 C LEU A 69 69.510 -7.670 -5.788 1.00 0.00 C ATOM 998 O LEU A 69 68.916 -7.644 -4.725 1.00 0.00 O ATOM 999 CB LEU A 69 69.200 -5.677 -7.332 1.00 0.00 C ATOM 1000 CG LEU A 69 68.745 -4.769 -6.171 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.853 -4.696 -5.108 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.443 -3.356 -6.698 1.00 0.00 C ATOM 0 H LEU A 69 66.999 -6.962 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 69 69.196 -7.787 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.277 -5.582 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.730 -5.348 -8.259 1.00 0.00 H new ATOM 0 HG LEU A 69 67.841 -5.185 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.529 -4.054 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.057 -5.696 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.759 -4.286 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.122 -2.721 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.342 -2.937 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.651 -3.408 -7.445 1.00 0.00 H new ATOM 1014 N ARG A 70 70.731 -8.143 -5.893 1.00 0.00 N ATOM 1015 CA ARG A 70 71.521 -8.500 -4.672 1.00 0.00 C ATOM 1016 C ARG A 70 72.328 -7.286 -4.202 1.00 0.00 C ATOM 1017 O ARG A 70 72.839 -6.526 -5.006 1.00 0.00 O ATOM 1018 CB ARG A 70 72.455 -9.638 -5.100 1.00 0.00 C ATOM 1019 CG ARG A 70 71.774 -10.987 -4.860 1.00 0.00 C ATOM 1020 CD ARG A 70 72.430 -12.054 -5.739 1.00 0.00 C ATOM 1021 NE ARG A 70 71.615 -13.291 -5.518 1.00 0.00 N ATOM 1022 CZ ARG A 70 71.745 -14.044 -4.437 1.00 0.00 C ATOM 1023 NH1 ARG A 70 72.598 -13.761 -3.476 1.00 0.00 N ATOM 1024 NH2 ARG A 70 70.998 -15.107 -4.320 1.00 0.00 N ATOM 0 H ARG A 70 71.215 -8.297 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 70 70.881 -8.804 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.712 -9.533 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.387 -9.586 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.856 -11.266 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.711 -10.915 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.424 -11.759 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.471 -12.212 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 70 70.934 -13.563 -6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.191 -12.934 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 70 72.666 -14.368 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.330 -15.344 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.082 -15.701 -3.495 1.00 0.00 H new ATOM 1038 N VAL A 71 72.440 -7.111 -2.904 1.00 0.00 N ATOM 1039 CA VAL A 71 73.170 -5.922 -2.349 1.00 0.00 C ATOM 1040 C VAL A 71 74.676 -6.219 -2.326 1.00 0.00 C ATOM 1041 O VAL A 71 75.090 -7.297 -1.939 1.00 0.00 O ATOM 1042 CB VAL A 71 72.621 -5.715 -0.921 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.289 -4.499 -0.266 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.108 -5.471 -0.967 1.00 0.00 C ATOM 0 H VAL A 71 72.056 -7.743 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 71 73.023 -5.025 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 71 72.836 -6.613 -0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.893 -4.364 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.366 -4.660 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.084 -3.608 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.732 -5.326 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.901 -4.581 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.614 -6.332 -1.418 1.00 0.00 H new ATOM 1054 N GLU A 72 75.482 -5.268 -2.741 1.00 0.00 N ATOM 1055 CA GLU A 72 76.967 -5.462 -2.743 1.00 0.00 C ATOM 1056 C GLU A 72 77.656 -4.268 -2.082 1.00 0.00 C ATOM 1057 O GLU A 72 77.022 -3.275 -1.769 1.00 0.00 O ATOM 1058 CB GLU A 72 77.365 -5.543 -4.220 1.00 0.00 C ATOM 1059 CG GLU A 72 76.761 -6.797 -4.853 1.00 0.00 C ATOM 1060 CD GLU A 72 77.395 -7.035 -6.224 1.00 0.00 C ATOM 1061 OE1 GLU A 72 77.059 -6.308 -7.145 1.00 0.00 O ATOM 1062 OE2 GLU A 72 78.208 -7.939 -6.330 1.00 0.00 O ATOM 0 H GLU A 72 75.170 -4.358 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 72 77.260 -6.355 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 72 77.018 -4.655 -4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.451 -5.565 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.930 -7.660 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.682 -6.682 -4.955 1.00 0.00 H new ATOM 1069 N ASP A 73 78.950 -4.365 -1.869 1.00 0.00 N ATOM 1070 CA ASP A 73 79.758 -3.164 -1.456 1.00 0.00 C ATOM 1071 C ASP A 73 79.713 -2.077 -2.540 1.00 0.00 C ATOM 1072 O ASP A 73 79.824 -0.900 -2.242 1.00 0.00 O ATOM 1073 CB ASP A 73 81.195 -3.668 -1.276 1.00 0.00 C ATOM 1074 CG ASP A 73 82.034 -2.587 -0.591 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.993 -2.515 0.626 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.704 -1.851 -1.296 1.00 0.00 O ATOM 0 H ASP A 73 79.485 -5.228 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 73 79.365 -2.720 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.200 -4.580 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.627 -3.919 -2.244 1.00 0.00 H new ATOM 1081 N ARG A 74 79.551 -2.469 -3.787 1.00 0.00 N ATOM 1082 CA ARG A 74 79.493 -1.468 -4.906 1.00 0.00 C ATOM 1083 C ARG A 74 78.079 -0.879 -5.064 1.00 0.00 C ATOM 1084 O ARG A 74 77.920 0.184 -5.639 1.00 0.00 O ATOM 1085 CB ARG A 74 79.926 -2.224 -6.178 1.00 0.00 C ATOM 1086 CG ARG A 74 78.986 -3.403 -6.479 1.00 0.00 C ATOM 1087 CD ARG A 74 79.156 -3.830 -7.941 1.00 0.00 C ATOM 1088 NE ARG A 74 78.520 -2.743 -8.761 1.00 0.00 N ATOM 1089 CZ ARG A 74 78.101 -2.946 -9.999 1.00 0.00 C ATOM 1090 NH1 ARG A 74 78.221 -4.106 -10.608 1.00 0.00 N ATOM 1091 NH2 ARG A 74 77.552 -1.953 -10.645 1.00 0.00 N ATOM 0 H ARG A 74 79.456 -3.442 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 74 80.149 -0.621 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.934 -1.538 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 74 80.945 -2.591 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 74 79.210 -4.239 -5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 74 77.952 -3.115 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 74 80.210 -3.946 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 78.676 -4.791 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 74 78.408 -1.817 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 78.652 -4.894 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 74 77.883 -4.217 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 74 77.453 -1.043 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 74 77.222 -2.087 -11.601 1.00 0.00 H new ATOM 1105 N THR A 75 77.064 -1.557 -4.563 1.00 0.00 N ATOM 1106 CA THR A 75 75.668 -1.008 -4.639 1.00 0.00 C ATOM 1107 C THR A 75 75.523 0.193 -3.700 1.00 0.00 C ATOM 1108 O THR A 75 75.916 0.135 -2.549 1.00 0.00 O ATOM 1109 CB THR A 75 74.741 -2.146 -4.196 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.072 -3.329 -4.910 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.287 -1.766 -4.481 1.00 0.00 C ATOM 0 H THR A 75 77.145 -2.465 -4.106 1.00 0.00 H new ATOM 0 HA THR A 75 75.425 -0.666 -5.645 1.00 0.00 H new ATOM 0 HB THR A 75 74.865 -2.319 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.316 -3.952 -4.880 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.630 -2.577 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.034 -0.859 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.159 -1.591 -5.549 1.00 0.00 H new ATOM 1119 N LYS A 76 74.959 1.275 -4.193 1.00 0.00 N ATOM 1120 CA LYS A 76 74.785 2.505 -3.352 1.00 0.00 C ATOM 1121 C LYS A 76 73.462 2.432 -2.584 1.00 0.00 C ATOM 1122 O LYS A 76 72.457 2.008 -3.123 1.00 0.00 O ATOM 1123 CB LYS A 76 74.763 3.677 -4.338 1.00 0.00 C ATOM 1124 CG LYS A 76 76.131 3.808 -5.014 1.00 0.00 C ATOM 1125 CD LYS A 76 76.113 4.997 -5.977 1.00 0.00 C ATOM 1126 CE LYS A 76 77.344 4.936 -6.885 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.293 6.192 -7.683 1.00 0.00 N ATOM 0 H LYS A 76 74.610 1.358 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 76 75.582 2.612 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.989 3.519 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.515 4.601 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.908 3.947 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.371 2.892 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.204 4.979 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.107 5.932 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.263 4.875 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.317 4.057 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.106 6.225 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.411 6.218 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.327 7.011 -7.043 1.00 0.00 H new ATOM 1141 N ILE A 77 73.461 2.843 -1.336 1.00 0.00 N ATOM 1142 CA ILE A 77 72.207 2.795 -0.511 1.00 0.00 C ATOM 1143 C ILE A 77 71.926 4.187 0.074 1.00 0.00 C ATOM 1144 O ILE A 77 72.828 4.867 0.530 1.00 0.00 O ATOM 1145 CB ILE A 77 72.479 1.754 0.595 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.750 0.382 -0.039 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.261 1.631 1.522 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.336 -0.565 1.010 1.00 0.00 C ATOM 0 H ILE A 77 74.279 3.212 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 77 71.329 2.515 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 77 73.346 2.081 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.825 -0.032 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.442 0.487 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.467 0.893 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 77 71.057 2.597 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.393 1.316 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.527 -1.537 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.270 -0.153 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.629 -0.681 1.831 1.00 0.00 H new ATOM 1160 N THR A 78 70.678 4.599 0.058 1.00 0.00 N ATOM 1161 CA THR A 78 70.311 5.971 0.528 1.00 0.00 C ATOM 1162 C THR A 78 69.137 5.903 1.510 1.00 0.00 C ATOM 1163 O THR A 78 68.228 5.108 1.342 1.00 0.00 O ATOM 1164 CB THR A 78 69.904 6.724 -0.740 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.908 6.555 -1.732 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.743 8.212 -0.424 1.00 0.00 C ATOM 0 H THR A 78 69.892 4.035 -0.265 1.00 0.00 H new ATOM 0 HA THR A 78 71.132 6.461 1.052 1.00 0.00 H new ATOM 0 HB THR A 78 68.957 6.329 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.648 7.035 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.453 8.747 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.973 8.341 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.688 8.610 -0.055 1.00 0.00 H new ATOM 1174 N LEU A 79 69.158 6.736 2.527 1.00 0.00 N ATOM 1175 CA LEU A 79 68.024 6.789 3.502 1.00 0.00 C ATOM 1176 C LEU A 79 67.078 7.942 3.152 1.00 0.00 C ATOM 1177 O LEU A 79 67.494 9.085 3.068 1.00 0.00 O ATOM 1178 CB LEU A 79 68.680 7.026 4.864 1.00 0.00 C ATOM 1179 CG LEU A 79 69.468 5.781 5.277 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.367 6.117 6.467 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.492 4.670 5.675 1.00 0.00 C ATOM 0 H LEU A 79 69.920 7.386 2.722 1.00 0.00 H new ATOM 0 HA LEU A 79 67.428 5.876 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.344 7.889 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.919 7.252 5.611 1.00 0.00 H new ATOM 0 HG LEU A 79 70.082 5.446 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.928 5.230 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.061 6.909 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.753 6.452 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.052 3.782 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.879 5.006 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.850 4.429 4.828 1.00 0.00 H new ATOM 1193 N VAL A 80 65.815 7.641 2.951 1.00 0.00 N ATOM 1194 CA VAL A 80 64.817 8.695 2.582 1.00 0.00 C ATOM 1195 C VAL A 80 64.092 9.178 3.845 1.00 0.00 C ATOM 1196 O VAL A 80 63.905 8.424 4.785 1.00 0.00 O ATOM 1197 CB VAL A 80 63.838 8.013 1.604 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.749 9.000 1.161 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.591 7.530 0.358 1.00 0.00 C ATOM 0 H VAL A 80 65.431 6.699 3.028 1.00 0.00 H new ATOM 0 HA VAL A 80 65.280 9.569 2.124 1.00 0.00 H new ATOM 0 HB VAL A 80 63.381 7.167 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.067 8.503 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.195 9.346 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.211 9.852 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.892 7.050 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.058 8.381 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.360 6.815 0.652 1.00 0.00 H new ATOM 1209 N THR A 81 63.690 10.429 3.863 1.00 0.00 N ATOM 1210 CA THR A 81 62.838 10.947 4.977 1.00 0.00 C ATOM 1211 C THR A 81 61.845 11.985 4.445 1.00 0.00 C ATOM 1212 O THR A 81 62.060 12.574 3.400 1.00 0.00 O ATOM 1213 CB THR A 81 63.817 11.593 5.961 1.00 0.00 C ATOM 1214 OG1 THR A 81 64.644 12.516 5.267 1.00 0.00 O ATOM 1215 CG2 THR A 81 64.685 10.510 6.604 1.00 0.00 C ATOM 0 H THR A 81 63.919 11.117 3.146 1.00 0.00 H new ATOM 0 HA THR A 81 62.251 10.159 5.448 1.00 0.00 H new ATOM 0 HB THR A 81 63.260 12.117 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 81 65.270 12.932 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 81 65.382 10.970 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 81 64.049 9.803 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 81 65.243 9.984 5.830 1.00 0.00 H new ATOM 1223 N HIS A 82 60.765 12.205 5.162 1.00 0.00 N ATOM 1224 CA HIS A 82 59.723 13.178 4.709 1.00 0.00 C ATOM 1225 C HIS A 82 59.388 14.167 5.843 1.00 0.00 C ATOM 1226 O HIS A 82 58.595 13.839 6.709 1.00 0.00 O ATOM 1227 CB HIS A 82 58.506 12.316 4.363 1.00 0.00 C ATOM 1228 CG HIS A 82 57.558 12.976 3.400 1.00 0.00 C ATOM 1229 ND1 HIS A 82 56.707 12.247 2.584 1.00 0.00 N ATOM 1230 CD2 HIS A 82 57.314 14.296 3.110 1.00 0.00 C ATOM 1231 CE1 HIS A 82 55.998 13.123 1.850 1.00 0.00 C ATOM 1232 NE2 HIS A 82 56.329 14.386 2.131 1.00 0.00 N ATOM 0 H HIS A 82 60.562 11.746 6.050 1.00 0.00 H new ATOM 0 HA HIS A 82 60.053 13.776 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 82 58.848 11.373 3.935 1.00 0.00 H new ATOM 0 HB3 HIS A 82 57.969 12.074 5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 82 57.811 15.136 3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 82 55.252 12.840 1.122 1.00 0.00 H new ATOM 0 HE2 HIS A 82 55.943 15.234 1.717 1.00 0.00 H new ATOM 1240 N PRO A 83 59.994 15.349 5.819 1.00 0.00 N ATOM 1241 CA PRO A 83 59.691 16.373 6.859 1.00 0.00 C ATOM 1242 C PRO A 83 58.262 16.899 6.687 1.00 0.00 C ATOM 1243 O PRO A 83 57.876 17.150 5.557 1.00 0.00 O ATOM 1244 CB PRO A 83 60.717 17.480 6.603 1.00 0.00 C ATOM 1245 CG PRO A 83 61.129 17.309 5.178 1.00 0.00 C ATOM 1246 CD PRO A 83 60.999 15.846 4.855 1.00 0.00 C ATOM 1247 OXT PRO A 83 57.580 17.040 7.688 1.00 0.00 O ATOM 0 HA PRO A 83 59.752 15.979 7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 83 60.283 18.466 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 83 61.571 17.388 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 83 60.498 17.907 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 83 62.155 17.647 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 83 60.674 15.693 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 83 61.951 15.327 4.969 1.00 0.00 H new TER 1255 PRO A 83