USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 7 THR OG1 : rot 130:sc= -2.19 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.335 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.19 (180deg=-0.633) USER MOD Single : A 2 GLN : amide:sc= -3.83! C(o=-3.8!,f=-9.4!) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= -1.74 (180deg=-2.13!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -69:sc= 1.61 USER MOD Single : A 20 SER OG : rot -58:sc= 1.22 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0325) USER MOD Single : A 31 GLN : amide:sc= -1.79 K(o=-1.8,f=-6.1!) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.105 (180deg=-0.727) USER MOD Single : A 40 GLN : amide:sc= -0.814 K(o=-0.81,f=-3) USER MOD Single : A 41 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -0.613 (180deg=-0.652) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 140:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 62 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc=-0.00585 (180deg=-0.254) USER MOD Single : A 65 SER OG : rot 112:sc= 0.431 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 49.360 -10.139 -0.139 1.00 0.00 N ATOM 2 CA MET A 1 50.717 -10.463 0.385 1.00 0.00 C ATOM 3 C MET A 1 51.501 -9.169 0.577 1.00 0.00 C ATOM 4 O MET A 1 51.218 -8.159 -0.067 1.00 0.00 O ATOM 5 CB MET A 1 51.446 -11.368 -0.612 1.00 0.00 C ATOM 6 CG MET A 1 50.678 -12.680 -0.804 1.00 0.00 C ATOM 7 SD MET A 1 50.595 -13.577 0.765 1.00 0.00 S ATOM 8 CE MET A 1 48.864 -13.209 1.132 1.00 0.00 C ATOM 0 H1 MET A 1 48.643 -10.651 0.414 1.00 0.00 H new ATOM 0 H2 MET A 1 49.192 -9.116 -0.060 1.00 0.00 H new ATOM 0 H3 MET A 1 49.296 -10.424 -1.137 1.00 0.00 H new ATOM 0 HA MET A 1 50.630 -10.980 1.340 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.549 -10.856 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.453 -11.578 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.672 -12.473 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 51.171 -13.293 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 1 48.443 -14.009 1.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 48.800 -12.267 1.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.304 -13.129 0.201 1.00 0.00 H new ATOM 20 N GLN A 2 52.488 -9.205 1.467 1.00 0.00 N ATOM 21 CA GLN A 2 53.306 -8.028 1.735 1.00 0.00 C ATOM 22 C GLN A 2 54.584 -8.416 2.472 1.00 0.00 C ATOM 23 O GLN A 2 54.647 -9.467 3.112 1.00 0.00 O ATOM 24 CB GLN A 2 52.516 -7.022 2.573 1.00 0.00 C ATOM 25 CG GLN A 2 51.598 -7.771 3.540 1.00 0.00 C ATOM 26 CD GLN A 2 52.405 -8.774 4.357 1.00 0.00 C ATOM 27 OE1 GLN A 2 52.492 -9.946 3.992 1.00 0.00 O ATOM 28 NE2 GLN A 2 53.005 -8.381 5.448 1.00 0.00 N ATOM 0 H GLN A 2 52.739 -10.030 2.011 1.00 0.00 H new ATOM 0 HA GLN A 2 53.576 -7.574 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.199 -6.379 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.927 -6.375 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.102 -7.064 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.816 -8.288 2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 2 52.932 -7.409 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 2 53.547 -9.046 6.000 1.00 0.00 H new ATOM 37 N ILE A 3 55.595 -7.559 2.374 1.00 0.00 N ATOM 38 CA ILE A 3 56.873 -7.811 3.032 1.00 0.00 C ATOM 39 C ILE A 3 57.269 -6.626 3.907 1.00 0.00 C ATOM 40 O ILE A 3 56.679 -5.550 3.811 1.00 0.00 O ATOM 41 CB ILE A 3 57.958 -8.059 1.985 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.035 -6.861 1.038 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.617 -9.318 1.185 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.102 -7.124 -0.025 1.00 0.00 C ATOM 0 H ILE A 3 55.555 -6.686 1.847 1.00 0.00 H new ATOM 0 HA ILE A 3 56.768 -8.694 3.663 1.00 0.00 H new ATOM 0 HB ILE A 3 58.919 -8.193 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.067 -6.694 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 3 58.277 -5.957 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.391 -9.495 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.560 -10.173 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.656 -9.184 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.159 -6.271 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.068 -7.270 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 3 58.840 -8.019 -0.590 1.00 0.00 H new ATOM 56 N PHE A 4 58.270 -6.835 4.760 1.00 0.00 N ATOM 57 CA PHE A 4 58.743 -5.780 5.651 1.00 0.00 C ATOM 58 C PHE A 4 60.185 -5.405 5.321 1.00 0.00 C ATOM 59 O PHE A 4 61.024 -6.275 5.090 1.00 0.00 O ATOM 60 CB PHE A 4 58.660 -6.249 7.105 1.00 0.00 C ATOM 61 CG PHE A 4 57.225 -6.568 7.452 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.333 -5.534 7.758 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.788 -7.898 7.466 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.003 -5.831 8.080 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.458 -8.195 7.787 1.00 0.00 C ATOM 66 CZ PHE A 4 54.565 -7.161 8.094 1.00 0.00 C ATOM 0 H PHE A 4 58.767 -7.721 4.852 1.00 0.00 H new ATOM 0 HA PHE A 4 58.109 -4.904 5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.285 -7.130 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.042 -5.475 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.670 -4.508 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.477 -8.695 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.314 -5.034 8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 4 55.121 -9.221 7.798 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.539 -7.389 8.341 1.00 0.00 H new ATOM 76 N VAL A 5 60.461 -4.104 5.308 1.00 0.00 N ATOM 77 CA VAL A 5 61.803 -3.612 5.011 1.00 0.00 C ATOM 78 C VAL A 5 62.317 -2.748 6.158 1.00 0.00 C ATOM 79 O VAL A 5 61.735 -1.712 6.474 1.00 0.00 O ATOM 80 CB VAL A 5 61.785 -2.794 3.720 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.185 -2.236 3.449 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.361 -3.689 2.556 1.00 0.00 C ATOM 0 H VAL A 5 59.776 -3.373 5.499 1.00 0.00 H new ATOM 0 HA VAL A 5 62.467 -4.467 4.887 1.00 0.00 H new ATOM 0 HB VAL A 5 61.079 -1.970 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 5 63.172 -1.653 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.489 -1.598 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.891 -3.060 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.348 -3.106 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.068 -4.513 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.365 -4.087 2.747 1.00 0.00 H new ATOM 92 N LYS A 6 63.408 -3.182 6.779 1.00 0.00 N ATOM 93 CA LYS A 6 63.988 -2.439 7.892 1.00 0.00 C ATOM 94 C LYS A 6 65.148 -1.573 7.412 1.00 0.00 C ATOM 95 O LYS A 6 65.994 -2.023 6.640 1.00 0.00 O ATOM 96 CB LYS A 6 64.484 -3.409 8.967 1.00 0.00 C ATOM 97 CG LYS A 6 65.094 -2.620 10.126 1.00 0.00 C ATOM 98 CD LYS A 6 65.083 -3.480 11.392 1.00 0.00 C ATOM 99 CE LYS A 6 65.885 -2.782 12.490 1.00 0.00 C ATOM 100 NZ LYS A 6 65.185 -1.531 12.898 1.00 0.00 N ATOM 0 H LYS A 6 63.906 -4.038 6.533 1.00 0.00 H new ATOM 0 HA LYS A 6 63.217 -1.794 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.658 -4.023 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.226 -4.087 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.115 -2.326 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.529 -1.703 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.058 -3.644 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 6 65.511 -4.460 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.999 -3.444 13.348 1.00 0.00 H new ATOM 0 HE3 LYS A 6 66.888 -2.550 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 65.884 -0.830 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 64.657 -1.149 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 64.525 -1.740 13.674 1.00 0.00 H new ATOM 114 N THR A 7 65.180 -0.328 7.875 1.00 0.00 N ATOM 115 CA THR A 7 66.239 0.595 7.484 1.00 0.00 C ATOM 116 C THR A 7 67.351 0.611 8.528 1.00 0.00 C ATOM 117 O THR A 7 67.113 0.357 9.709 1.00 0.00 O ATOM 118 CB THR A 7 65.669 2.006 7.321 1.00 0.00 C ATOM 119 OG1 THR A 7 65.087 2.424 8.548 1.00 0.00 O ATOM 120 CG2 THR A 7 64.605 2.006 6.222 1.00 0.00 C ATOM 0 H THR A 7 64.490 0.063 8.517 1.00 0.00 H new ATOM 0 HA THR A 7 66.654 0.259 6.534 1.00 0.00 H new ATOM 0 HB THR A 7 66.470 2.692 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 7 65.426 3.312 8.785 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.200 3.012 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 7 65.053 1.686 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.802 1.320 6.493 1.00 0.00 H new ATOM 128 N LEU A 8 68.565 0.915 8.082 1.00 0.00 N ATOM 129 CA LEU A 8 69.710 0.966 8.982 1.00 0.00 C ATOM 130 C LEU A 8 69.471 2.002 10.080 1.00 0.00 C ATOM 131 O LEU A 8 70.067 1.934 11.154 1.00 0.00 O ATOM 132 CB LEU A 8 70.986 1.264 8.165 1.00 0.00 C ATOM 133 CG LEU A 8 71.499 2.697 8.396 1.00 0.00 C ATOM 134 CD1 LEU A 8 72.177 2.819 9.769 1.00 0.00 C ATOM 135 CD2 LEU A 8 72.521 3.035 7.311 1.00 0.00 C ATOM 0 H LEU A 8 68.780 1.129 7.108 1.00 0.00 H new ATOM 0 HA LEU A 8 69.843 0.003 9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 8 71.765 0.552 8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.779 1.120 7.105 1.00 0.00 H new ATOM 0 HG LEU A 8 70.653 3.383 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.532 3.840 9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.460 2.572 10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 8 73.021 2.131 9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.892 4.048 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 73.353 2.332 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 8 72.048 2.966 6.331 1.00 0.00 H new ATOM 147 N THR A 9 68.582 2.953 9.806 1.00 0.00 N ATOM 148 CA THR A 9 68.264 3.993 10.782 1.00 0.00 C ATOM 149 C THR A 9 67.045 3.596 11.608 1.00 0.00 C ATOM 150 O THR A 9 66.485 4.415 12.337 1.00 0.00 O ATOM 151 CB THR A 9 67.982 5.317 10.069 1.00 0.00 C ATOM 152 OG1 THR A 9 66.668 5.290 9.528 1.00 0.00 O ATOM 153 CG2 THR A 9 68.994 5.525 8.941 1.00 0.00 C ATOM 0 H THR A 9 68.073 3.026 8.925 1.00 0.00 H new ATOM 0 HA THR A 9 69.121 4.112 11.445 1.00 0.00 H new ATOM 0 HB THR A 9 68.068 6.136 10.783 1.00 0.00 H new ATOM 0 HG1 THR A 9 66.484 6.138 9.072 1.00 0.00 H new ATOM 0 HG21 THR A 9 68.788 6.469 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 9 70.002 5.547 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 9 68.914 4.707 8.225 1.00 0.00 H new ATOM 161 N GLY A 10 66.640 2.336 11.492 1.00 0.00 N ATOM 162 CA GLY A 10 65.487 1.841 12.237 1.00 0.00 C ATOM 163 C GLY A 10 64.185 2.362 11.638 1.00 0.00 C ATOM 164 O GLY A 10 63.737 3.462 11.961 1.00 0.00 O ATOM 0 H GLY A 10 67.089 1.643 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.485 0.751 12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.562 2.152 13.279 1.00 0.00 H new ATOM 168 N LYS A 11 63.579 1.560 10.768 1.00 0.00 N ATOM 169 CA LYS A 11 62.324 1.947 10.131 1.00 0.00 C ATOM 170 C LYS A 11 61.749 0.779 9.335 1.00 0.00 C ATOM 171 O LYS A 11 62.222 0.468 8.241 1.00 0.00 O ATOM 172 CB LYS A 11 62.555 3.138 9.198 1.00 0.00 C ATOM 173 CG LYS A 11 61.300 4.016 9.170 1.00 0.00 C ATOM 174 CD LYS A 11 61.515 5.182 8.204 1.00 0.00 C ATOM 175 CE LYS A 11 60.255 6.048 8.160 1.00 0.00 C ATOM 176 NZ LYS A 11 60.576 7.419 8.646 1.00 0.00 N ATOM 0 H LYS A 11 63.933 0.645 10.489 1.00 0.00 H new ATOM 0 HA LYS A 11 61.614 2.229 10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.411 3.720 9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.788 2.786 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 11 60.438 3.426 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 11 61.085 4.393 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 11 62.369 5.780 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 11 61.745 4.805 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 11 59.867 6.093 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 11 59.475 5.605 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 59.719 8.007 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 60.927 7.367 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 61.307 7.841 8.038 1.00 0.00 H new ATOM 190 N THR A 12 60.727 0.135 9.890 1.00 0.00 N ATOM 191 CA THR A 12 60.099 -1.000 9.222 1.00 0.00 C ATOM 192 C THR A 12 58.989 -0.530 8.288 1.00 0.00 C ATOM 193 O THR A 12 57.971 -0.001 8.737 1.00 0.00 O ATOM 194 CB THR A 12 59.519 -1.962 10.262 1.00 0.00 C ATOM 195 OG1 THR A 12 60.375 -2.004 11.395 1.00 0.00 O ATOM 196 CG2 THR A 12 59.405 -3.363 9.655 1.00 0.00 C ATOM 0 H THR A 12 60.319 0.377 10.793 1.00 0.00 H new ATOM 0 HA THR A 12 60.858 -1.514 8.633 1.00 0.00 H new ATOM 0 HB THR A 12 58.530 -1.617 10.565 1.00 0.00 H new ATOM 0 HG1 THR A 12 60.004 -2.618 12.063 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.992 -4.048 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.749 -3.330 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.393 -3.709 9.351 1.00 0.00 H new ATOM 204 N ILE A 13 59.191 -0.731 6.988 1.00 0.00 N ATOM 205 CA ILE A 13 58.199 -0.328 5.996 1.00 0.00 C ATOM 206 C ILE A 13 57.481 -1.551 5.435 1.00 0.00 C ATOM 207 O ILE A 13 58.110 -2.564 5.128 1.00 0.00 O ATOM 208 CB ILE A 13 58.874 0.432 4.853 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.169 1.073 5.356 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.932 1.525 4.343 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.754 1.965 4.260 1.00 0.00 C ATOM 0 H ILE A 13 60.027 -1.168 6.599 1.00 0.00 H new ATOM 0 HA ILE A 13 57.472 0.322 6.483 1.00 0.00 H new ATOM 0 HB ILE A 13 59.103 -0.261 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.972 1.661 6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.886 0.300 5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.412 2.068 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 13 57.009 1.071 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.704 2.216 5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.677 2.422 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.966 1.364 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.037 2.746 4.005 1.00 0.00 H new ATOM 223 N THR A 14 56.162 -1.448 5.300 1.00 0.00 N ATOM 224 CA THR A 14 55.367 -2.553 4.771 1.00 0.00 C ATOM 225 C THR A 14 54.932 -2.258 3.338 1.00 0.00 C ATOM 226 O THR A 14 54.237 -1.274 3.082 1.00 0.00 O ATOM 227 CB THR A 14 54.131 -2.775 5.645 1.00 0.00 C ATOM 228 OG1 THR A 14 54.539 -3.017 6.984 1.00 0.00 O ATOM 229 CG2 THR A 14 53.344 -3.978 5.125 1.00 0.00 C ATOM 0 H THR A 14 55.624 -0.618 5.547 1.00 0.00 H new ATOM 0 HA THR A 14 55.981 -3.454 4.777 1.00 0.00 H new ATOM 0 HB THR A 14 53.498 -1.889 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.983 -3.889 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.464 -4.134 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.032 -3.792 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 14 53.974 -4.867 5.157 1.00 0.00 H new ATOM 237 N LEU A 15 55.350 -3.117 2.411 1.00 0.00 N ATOM 238 CA LEU A 15 55.005 -2.947 1.003 1.00 0.00 C ATOM 239 C LEU A 15 54.203 -4.144 0.499 1.00 0.00 C ATOM 240 O LEU A 15 54.398 -5.269 0.958 1.00 0.00 O ATOM 241 CB LEU A 15 56.279 -2.801 0.168 1.00 0.00 C ATOM 242 CG LEU A 15 57.183 -1.736 0.791 1.00 0.00 C ATOM 243 CD1 LEU A 15 58.459 -1.596 -0.042 1.00 0.00 C ATOM 244 CD2 LEU A 15 56.449 -0.392 0.823 1.00 0.00 C ATOM 0 H LEU A 15 55.926 -3.935 2.609 1.00 0.00 H new ATOM 0 HA LEU A 15 54.398 -2.047 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 56.805 -3.755 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.025 -2.524 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 15 57.441 -2.034 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.102 -0.837 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.985 -2.550 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 15 58.199 -1.301 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 15 57.095 0.365 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 15 56.188 -0.096 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 15 55.540 -0.488 1.417 1.00 0.00 H new ATOM 256 N GLU A 16 53.305 -3.892 -0.448 1.00 0.00 N ATOM 257 CA GLU A 16 52.483 -4.957 -1.011 1.00 0.00 C ATOM 258 C GLU A 16 53.005 -5.363 -2.385 1.00 0.00 C ATOM 259 O GLU A 16 53.183 -4.519 -3.264 1.00 0.00 O ATOM 260 CB GLU A 16 51.031 -4.489 -1.130 1.00 0.00 C ATOM 261 CG GLU A 16 50.694 -3.564 0.040 1.00 0.00 C ATOM 262 CD GLU A 16 51.068 -2.126 -0.306 1.00 0.00 C ATOM 263 OE1 GLU A 16 50.361 -1.526 -1.099 1.00 0.00 O ATOM 264 OE2 GLU A 16 52.058 -1.649 0.224 1.00 0.00 O ATOM 0 H GLU A 16 53.129 -2.967 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 16 52.531 -5.820 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.883 -3.966 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.360 -5.348 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 16 49.630 -3.627 0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.231 -3.883 0.933 1.00 0.00 H new ATOM 271 N VAL A 17 53.247 -6.658 -2.563 1.00 0.00 N ATOM 272 CA VAL A 17 53.750 -7.163 -3.834 1.00 0.00 C ATOM 273 C VAL A 17 53.192 -8.554 -4.117 1.00 0.00 C ATOM 274 O VAL A 17 52.520 -9.148 -3.274 1.00 0.00 O ATOM 275 CB VAL A 17 55.278 -7.223 -3.806 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.831 -5.951 -3.160 1.00 0.00 C ATOM 277 CG2 VAL A 17 55.724 -8.441 -2.992 1.00 0.00 C ATOM 0 H VAL A 17 53.104 -7.372 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 17 53.427 -6.485 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 17 55.655 -7.305 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.920 -5.996 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.514 -5.082 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 17 55.454 -5.867 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 17 56.813 -8.486 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.344 -8.357 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 17 55.333 -9.349 -3.451 1.00 0.00 H new ATOM 287 N GLU A 18 53.476 -9.067 -5.310 1.00 0.00 N ATOM 288 CA GLU A 18 52.999 -10.391 -5.695 1.00 0.00 C ATOM 289 C GLU A 18 53.965 -11.467 -5.193 1.00 0.00 C ATOM 290 O GLU A 18 55.142 -11.190 -4.964 1.00 0.00 O ATOM 291 CB GLU A 18 52.878 -10.479 -7.218 1.00 0.00 C ATOM 292 CG GLU A 18 51.434 -10.192 -7.635 1.00 0.00 C ATOM 293 CD GLU A 18 51.355 -10.017 -9.148 1.00 0.00 C ATOM 294 OE1 GLU A 18 51.703 -8.947 -9.619 1.00 0.00 O ATOM 295 OE2 GLU A 18 50.948 -10.955 -9.813 1.00 0.00 O ATOM 0 H GLU A 18 54.030 -8.591 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 18 52.020 -10.555 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.552 -9.763 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.176 -11.470 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 18 50.786 -11.010 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.075 -9.292 -7.137 1.00 0.00 H new ATOM 302 N PRO A 19 53.498 -12.680 -5.017 1.00 0.00 N ATOM 303 CA PRO A 19 54.355 -13.803 -4.533 1.00 0.00 C ATOM 304 C PRO A 19 55.393 -14.223 -5.570 1.00 0.00 C ATOM 305 O PRO A 19 56.027 -15.270 -5.440 1.00 0.00 O ATOM 306 CB PRO A 19 53.363 -14.937 -4.264 1.00 0.00 C ATOM 307 CG PRO A 19 52.174 -14.637 -5.113 1.00 0.00 C ATOM 308 CD PRO A 19 52.111 -13.117 -5.258 1.00 0.00 C ATOM 0 HA PRO A 19 54.932 -13.522 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 19 53.794 -15.905 -4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 19 53.091 -14.979 -3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 19 52.264 -15.115 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 19 51.263 -15.020 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.767 -12.824 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 19 51.422 -12.675 -4.538 1.00 0.00 H new ATOM 316 N SER A 20 55.561 -13.399 -6.600 1.00 0.00 N ATOM 317 CA SER A 20 56.526 -13.698 -7.653 1.00 0.00 C ATOM 318 C SER A 20 57.170 -12.414 -8.170 1.00 0.00 C ATOM 319 O SER A 20 57.492 -12.304 -9.353 1.00 0.00 O ATOM 320 CB SER A 20 55.831 -14.422 -8.805 1.00 0.00 C ATOM 321 OG SER A 20 56.783 -14.714 -9.820 1.00 0.00 O ATOM 0 H SER A 20 55.047 -12.527 -6.728 1.00 0.00 H new ATOM 0 HA SER A 20 57.304 -14.339 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 20 55.371 -15.343 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 55.030 -13.802 -9.209 1.00 0.00 H new ATOM 0 HG SER A 20 57.204 -13.882 -10.122 1.00 0.00 H new ATOM 327 N ASP A 21 57.353 -11.449 -7.277 1.00 0.00 N ATOM 328 CA ASP A 21 57.959 -10.177 -7.656 1.00 0.00 C ATOM 329 C ASP A 21 59.434 -10.149 -7.268 1.00 0.00 C ATOM 330 O ASP A 21 59.858 -10.852 -6.351 1.00 0.00 O ATOM 331 CB ASP A 21 57.227 -9.023 -6.970 1.00 0.00 C ATOM 332 CG ASP A 21 56.452 -8.211 -8.001 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.081 -7.679 -8.901 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.240 -8.136 -7.878 1.00 0.00 O ATOM 0 H ASP A 21 57.093 -11.521 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 21 57.877 -10.066 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.545 -9.412 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.943 -8.383 -6.454 1.00 0.00 H new ATOM 339 N THR A 22 60.210 -9.331 -7.972 1.00 0.00 N ATOM 340 CA THR A 22 61.636 -9.219 -7.694 1.00 0.00 C ATOM 341 C THR A 22 61.924 -7.969 -6.868 1.00 0.00 C ATOM 342 O THR A 22 61.063 -7.103 -6.715 1.00 0.00 O ATOM 343 CB THR A 22 62.422 -9.158 -9.006 1.00 0.00 C ATOM 344 OG1 THR A 22 61.975 -8.047 -9.772 1.00 0.00 O ATOM 345 CG2 THR A 22 62.199 -10.448 -9.797 1.00 0.00 C ATOM 0 H THR A 22 59.878 -8.740 -8.734 1.00 0.00 H new ATOM 0 HA THR A 22 61.946 -10.096 -7.126 1.00 0.00 H new ATOM 0 HB THR A 22 63.484 -9.047 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.478 -8.005 -10.612 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.759 -10.404 -10.731 1.00 0.00 H new ATOM 0 HG22 THR A 22 62.541 -11.299 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 22 61.137 -10.562 -10.016 1.00 0.00 H new ATOM 353 N ILE A 23 63.141 -7.881 -6.341 1.00 0.00 N ATOM 354 CA ILE A 23 63.532 -6.732 -5.534 1.00 0.00 C ATOM 355 C ILE A 23 63.473 -5.451 -6.362 1.00 0.00 C ATOM 356 O ILE A 23 63.470 -4.348 -5.817 1.00 0.00 O ATOM 357 CB ILE A 23 64.950 -6.929 -4.998 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.995 -8.183 -4.111 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.369 -5.699 -4.187 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.658 -7.821 -2.661 1.00 0.00 C ATOM 0 H ILE A 23 63.869 -8.586 -6.457 1.00 0.00 H new ATOM 0 HA ILE A 23 62.837 -6.645 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 23 65.640 -7.057 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 23 64.287 -8.925 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.985 -8.636 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.380 -5.842 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.343 -4.816 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.682 -5.563 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.694 -8.719 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.382 -7.096 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.658 -7.390 -2.617 1.00 0.00 H new ATOM 372 N GLU A 24 63.428 -5.607 -7.680 1.00 0.00 N ATOM 373 CA GLU A 24 63.369 -4.455 -8.574 1.00 0.00 C ATOM 374 C GLU A 24 62.151 -3.593 -8.257 1.00 0.00 C ATOM 375 O GLU A 24 62.257 -2.373 -8.133 1.00 0.00 O ATOM 376 CB GLU A 24 63.301 -4.926 -10.028 1.00 0.00 C ATOM 377 CG GLU A 24 64.498 -5.828 -10.330 1.00 0.00 C ATOM 378 CD GLU A 24 64.683 -5.959 -11.838 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.518 -5.250 -12.377 1.00 0.00 O ATOM 380 OE2 GLU A 24 63.986 -6.765 -12.434 1.00 0.00 O ATOM 0 H GLU A 24 63.431 -6.512 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 24 64.269 -3.858 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.371 -5.467 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.301 -4.067 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 65.400 -5.413 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.344 -6.812 -9.887 1.00 0.00 H new ATOM 387 N ASN A 25 60.995 -4.236 -8.128 1.00 0.00 N ATOM 388 CA ASN A 25 59.762 -3.518 -7.826 1.00 0.00 C ATOM 389 C ASN A 25 59.814 -2.933 -6.419 1.00 0.00 C ATOM 390 O ASN A 25 59.343 -1.822 -6.179 1.00 0.00 O ATOM 391 CB ASN A 25 58.566 -4.463 -7.945 1.00 0.00 C ATOM 392 CG ASN A 25 57.409 -3.949 -7.094 1.00 0.00 C ATOM 393 OD1 ASN A 25 57.199 -4.426 -5.978 1.00 0.00 O ATOM 394 ND2 ASN A 25 56.642 -3.000 -7.557 1.00 0.00 N ATOM 0 H ASN A 25 60.886 -5.245 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 25 59.653 -2.703 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.256 -4.541 -8.987 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.850 -5.464 -7.621 1.00 0.00 H new ATOM 0 HD21 ASN A 25 55.866 -2.651 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 25 56.819 -2.607 -8.482 1.00 0.00 H new ATOM 401 N ALA A 26 60.391 -3.690 -5.490 1.00 0.00 N ATOM 402 CA ALA A 26 60.499 -3.236 -4.108 1.00 0.00 C ATOM 403 C ALA A 26 61.388 -1.999 -4.020 1.00 0.00 C ATOM 404 O ALA A 26 61.105 -1.075 -3.257 1.00 0.00 O ATOM 405 CB ALA A 26 61.083 -4.350 -3.237 1.00 0.00 C ATOM 0 H ALA A 26 60.788 -4.613 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 26 59.502 -2.980 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.161 -4.003 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.432 -5.223 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.073 -4.618 -3.605 1.00 0.00 H new ATOM 411 N LYS A 27 62.458 -1.989 -4.806 1.00 0.00 N ATOM 412 CA LYS A 27 63.381 -0.859 -4.808 1.00 0.00 C ATOM 413 C LYS A 27 62.697 0.389 -5.357 1.00 0.00 C ATOM 414 O LYS A 27 62.859 1.484 -4.820 1.00 0.00 O ATOM 415 CB LYS A 27 64.608 -1.188 -5.662 1.00 0.00 C ATOM 416 CG LYS A 27 65.662 -1.879 -4.796 1.00 0.00 C ATOM 417 CD LYS A 27 66.760 -2.458 -5.691 1.00 0.00 C ATOM 418 CE LYS A 27 67.421 -1.329 -6.482 1.00 0.00 C ATOM 419 NZ LYS A 27 68.780 -1.759 -6.919 1.00 0.00 N ATOM 0 H LYS A 27 62.707 -2.744 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 27 63.694 -0.667 -3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.324 -1.834 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.019 -0.276 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 27 66.091 -1.168 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.201 -2.673 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.503 -2.975 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.337 -3.195 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.812 -1.073 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.492 -0.432 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.231 -0.992 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.359 -1.982 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.700 -2.603 -7.521 1.00 0.00 H new ATOM 433 N ALA A 28 61.930 0.214 -6.429 1.00 0.00 N ATOM 434 CA ALA A 28 61.225 1.334 -7.041 1.00 0.00 C ATOM 435 C ALA A 28 60.153 1.871 -6.100 1.00 0.00 C ATOM 436 O ALA A 28 59.964 3.082 -5.985 1.00 0.00 O ATOM 437 CB ALA A 28 60.578 0.888 -8.354 1.00 0.00 C ATOM 0 H ALA A 28 61.782 -0.685 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 28 61.945 2.127 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.053 1.730 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.349 0.533 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.870 0.083 -8.156 1.00 0.00 H new ATOM 443 N LYS A 29 59.454 0.962 -5.427 1.00 0.00 N ATOM 444 CA LYS A 29 58.402 1.357 -4.497 1.00 0.00 C ATOM 445 C LYS A 29 58.975 2.222 -3.380 1.00 0.00 C ATOM 446 O LYS A 29 58.403 3.254 -3.026 1.00 0.00 O ATOM 447 CB LYS A 29 57.741 0.116 -3.898 1.00 0.00 C ATOM 448 CG LYS A 29 56.341 -0.053 -4.488 1.00 0.00 C ATOM 449 CD LYS A 29 55.763 -1.405 -4.060 1.00 0.00 C ATOM 450 CE LYS A 29 54.388 -1.598 -4.700 1.00 0.00 C ATOM 451 NZ LYS A 29 53.384 -0.764 -3.978 1.00 0.00 N ATOM 0 H LYS A 29 59.595 -0.045 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 29 57.657 1.935 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.344 -0.767 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.681 0.211 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.693 0.755 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.384 0.008 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.432 -2.211 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.680 -1.449 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.422 -1.316 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.100 -2.649 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.430 -0.995 -4.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.441 -0.957 -2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.580 0.243 -4.151 1.00 0.00 H new ATOM 465 N ILE A 30 60.106 1.798 -2.829 1.00 0.00 N ATOM 466 CA ILE A 30 60.749 2.543 -1.753 1.00 0.00 C ATOM 467 C ILE A 30 61.203 3.912 -2.247 1.00 0.00 C ATOM 468 O ILE A 30 61.112 4.907 -1.527 1.00 0.00 O ATOM 469 CB ILE A 30 61.956 1.771 -1.228 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.475 0.676 -0.273 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.885 2.728 -0.478 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.513 -0.441 -0.218 1.00 0.00 C ATOM 0 H ILE A 30 60.595 0.947 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 30 60.024 2.676 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 30 62.495 1.321 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.317 1.090 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.517 0.280 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.748 2.178 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.222 3.513 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.348 3.176 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.172 -1.222 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.648 -0.861 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.462 -0.039 0.138 1.00 0.00 H new ATOM 484 N GLN A 31 61.701 3.952 -3.478 1.00 0.00 N ATOM 485 CA GLN A 31 62.178 5.201 -4.061 1.00 0.00 C ATOM 486 C GLN A 31 61.028 6.184 -4.263 1.00 0.00 C ATOM 487 O GLN A 31 61.160 7.372 -3.975 1.00 0.00 O ATOM 488 CB GLN A 31 62.853 4.921 -5.405 1.00 0.00 C ATOM 489 CG GLN A 31 62.914 6.209 -6.231 1.00 0.00 C ATOM 490 CD GLN A 31 63.977 6.082 -7.318 1.00 0.00 C ATOM 491 OE1 GLN A 31 64.675 5.071 -7.390 1.00 0.00 O ATOM 492 NE2 GLN A 31 64.136 7.051 -8.177 1.00 0.00 N ATOM 0 H GLN A 31 61.785 3.139 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 31 62.897 5.646 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.859 4.533 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.299 4.155 -5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.942 6.407 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.143 7.055 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.556 7.888 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.840 6.972 -8.911 1.00 0.00 H new ATOM 501 N ASP A 32 59.905 5.684 -4.766 1.00 0.00 N ATOM 502 CA ASP A 32 58.746 6.535 -5.010 1.00 0.00 C ATOM 503 C ASP A 32 58.017 6.859 -3.706 1.00 0.00 C ATOM 504 O ASP A 32 57.259 7.826 -3.636 1.00 0.00 O ATOM 505 CB ASP A 32 57.784 5.841 -5.975 1.00 0.00 C ATOM 506 CG ASP A 32 58.366 5.855 -7.385 1.00 0.00 C ATOM 507 OD1 ASP A 32 57.873 6.616 -8.201 1.00 0.00 O ATOM 508 OD2 ASP A 32 59.298 5.106 -7.626 1.00 0.00 O ATOM 0 H ASP A 32 59.772 4.703 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 32 59.098 7.468 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.610 4.814 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.818 6.346 -5.966 1.00 0.00 H new ATOM 513 N LYS A 33 58.242 6.042 -2.684 1.00 0.00 N ATOM 514 CA LYS A 33 57.590 6.254 -1.395 1.00 0.00 C ATOM 515 C LYS A 33 58.466 7.085 -0.462 1.00 0.00 C ATOM 516 O LYS A 33 57.959 7.891 0.321 1.00 0.00 O ATOM 517 CB LYS A 33 57.282 4.908 -0.738 1.00 0.00 C ATOM 518 CG LYS A 33 56.177 4.196 -1.522 1.00 0.00 C ATOM 519 CD LYS A 33 54.874 4.240 -0.721 1.00 0.00 C ATOM 520 CE LYS A 33 53.763 3.553 -1.515 1.00 0.00 C ATOM 521 NZ LYS A 33 53.549 4.277 -2.800 1.00 0.00 N ATOM 0 H LYS A 33 58.864 5.234 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 33 56.663 6.798 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.180 4.290 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 33 56.969 5.059 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.037 4.675 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.462 3.162 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.009 3.744 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.599 5.274 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.030 2.515 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 33 52.841 3.541 -0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.595 4.071 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.646 5.300 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.256 3.966 -3.496 1.00 0.00 H new ATOM 535 N GLU A 34 59.777 6.881 -0.540 1.00 0.00 N ATOM 536 CA GLU A 34 60.706 7.613 0.317 1.00 0.00 C ATOM 537 C GLU A 34 61.388 8.744 -0.448 1.00 0.00 C ATOM 538 O GLU A 34 61.986 9.634 0.154 1.00 0.00 O ATOM 539 CB GLU A 34 61.766 6.658 0.871 1.00 0.00 C ATOM 540 CG GLU A 34 61.082 5.499 1.598 1.00 0.00 C ATOM 541 CD GLU A 34 60.304 6.023 2.801 1.00 0.00 C ATOM 542 OE1 GLU A 34 59.256 5.470 3.090 1.00 0.00 O ATOM 543 OE2 GLU A 34 60.767 6.972 3.413 1.00 0.00 O ATOM 0 H GLU A 34 60.218 6.222 -1.181 1.00 0.00 H new ATOM 0 HA GLU A 34 60.136 8.048 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.386 6.277 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.428 7.190 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.408 4.979 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.827 4.774 1.925 1.00 0.00 H new ATOM 550 N GLY A 35 61.299 8.703 -1.773 1.00 0.00 N ATOM 551 CA GLY A 35 61.922 9.735 -2.596 1.00 0.00 C ATOM 552 C GLY A 35 63.440 9.596 -2.581 1.00 0.00 C ATOM 553 O GLY A 35 64.161 10.493 -3.020 1.00 0.00 O ATOM 0 H GLY A 35 60.809 7.977 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.556 9.660 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 35 61.639 10.721 -2.227 1.00 0.00 H new ATOM 557 N ILE A 36 63.922 8.467 -2.070 1.00 0.00 N ATOM 558 CA ILE A 36 65.358 8.221 -2.000 1.00 0.00 C ATOM 559 C ILE A 36 65.870 7.649 -3.332 1.00 0.00 C ATOM 560 O ILE A 36 65.366 6.622 -3.788 1.00 0.00 O ATOM 561 CB ILE A 36 65.653 7.225 -0.878 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.143 7.788 0.450 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.162 6.994 -0.783 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.135 6.681 1.506 1.00 0.00 C ATOM 0 H ILE A 36 63.343 7.713 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 36 65.865 9.165 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 36 65.152 6.281 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 36 65.779 8.611 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.138 8.192 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.372 6.284 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.529 6.594 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.662 7.939 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.772 7.083 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 36 64.481 5.872 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.147 6.298 1.639 1.00 0.00 H new ATOM 576 N PRO A 37 66.850 8.263 -3.971 1.00 0.00 N ATOM 577 CA PRO A 37 67.387 7.749 -5.263 1.00 0.00 C ATOM 578 C PRO A 37 67.579 6.229 -5.234 1.00 0.00 C ATOM 579 O PRO A 37 67.693 5.638 -4.160 1.00 0.00 O ATOM 580 CB PRO A 37 68.731 8.465 -5.407 1.00 0.00 C ATOM 581 CG PRO A 37 68.591 9.738 -4.641 1.00 0.00 C ATOM 582 CD PRO A 37 67.546 9.496 -3.550 1.00 0.00 C ATOM 0 HA PRO A 37 66.710 7.937 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.544 7.856 -5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 37 68.961 8.661 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.545 10.030 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.280 10.550 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.013 9.374 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 37 66.854 10.335 -3.470 1.00 0.00 H new ATOM 590 N PRO A 38 67.616 5.587 -6.377 1.00 0.00 N ATOM 591 CA PRO A 38 67.800 4.108 -6.457 1.00 0.00 C ATOM 592 C PRO A 38 69.223 3.682 -6.102 1.00 0.00 C ATOM 593 O PRO A 38 69.429 2.673 -5.429 1.00 0.00 O ATOM 594 CB PRO A 38 67.485 3.780 -7.918 1.00 0.00 C ATOM 595 CG PRO A 38 67.766 5.035 -8.674 1.00 0.00 C ATOM 596 CD PRO A 38 67.488 6.193 -7.715 1.00 0.00 C ATOM 0 HA PRO A 38 67.161 3.581 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.103 2.957 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.446 3.474 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.800 5.057 -9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.134 5.104 -9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 38 68.200 7.006 -7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.493 6.610 -7.871 1.00 0.00 H new ATOM 604 N ASP A 39 70.200 4.458 -6.561 1.00 0.00 N ATOM 605 CA ASP A 39 71.600 4.150 -6.287 1.00 0.00 C ATOM 606 C ASP A 39 71.891 4.249 -4.792 1.00 0.00 C ATOM 607 O ASP A 39 72.785 3.577 -4.279 1.00 0.00 O ATOM 608 CB ASP A 39 72.506 5.120 -7.049 1.00 0.00 C ATOM 609 CG ASP A 39 72.798 4.576 -8.444 1.00 0.00 C ATOM 610 OD1 ASP A 39 72.660 5.329 -9.392 1.00 0.00 O ATOM 611 OD2 ASP A 39 73.158 3.414 -8.541 1.00 0.00 O ATOM 0 H ASP A 39 70.051 5.298 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 39 71.798 3.130 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.026 6.096 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.439 5.264 -6.503 1.00 0.00 H new ATOM 616 N GLN A 40 71.129 5.091 -4.101 1.00 0.00 N ATOM 617 CA GLN A 40 71.317 5.270 -2.666 1.00 0.00 C ATOM 618 C GLN A 40 70.491 4.250 -1.887 1.00 0.00 C ATOM 619 O GLN A 40 70.237 4.425 -0.695 1.00 0.00 O ATOM 620 CB GLN A 40 70.906 6.685 -2.257 1.00 0.00 C ATOM 621 CG GLN A 40 72.091 7.635 -2.450 1.00 0.00 C ATOM 622 CD GLN A 40 71.594 9.069 -2.593 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.516 9.405 -2.104 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.321 9.941 -3.237 1.00 0.00 N ATOM 0 H GLN A 40 70.382 5.655 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 40 72.371 5.119 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.058 7.017 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.583 6.695 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.770 7.560 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.657 7.348 -3.336 1.00 0.00 H new ATOM 0 HE21 GLN A 40 73.214 9.661 -3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.996 10.903 -3.336 1.00 0.00 H new ATOM 633 N GLN A 41 70.079 3.185 -2.572 1.00 0.00 N ATOM 634 CA GLN A 41 69.282 2.137 -1.941 1.00 0.00 C ATOM 635 C GLN A 41 69.950 0.778 -2.120 1.00 0.00 C ATOM 636 O GLN A 41 70.284 0.383 -3.238 1.00 0.00 O ATOM 637 CB GLN A 41 67.882 2.103 -2.557 1.00 0.00 C ATOM 638 CG GLN A 41 67.026 3.213 -1.943 1.00 0.00 C ATOM 639 CD GLN A 41 65.699 3.318 -2.687 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.089 4.387 -2.718 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.213 2.268 -3.288 1.00 0.00 N ATOM 0 H GLN A 41 70.283 3.026 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 41 69.205 2.356 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.945 2.234 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.419 1.132 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.846 3.004 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.557 4.164 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.721 1.384 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.325 2.331 -3.786 1.00 0.00 H new ATOM 650 N ARG A 42 70.141 0.070 -1.011 1.00 0.00 N ATOM 651 CA ARG A 42 70.771 -1.246 -1.048 1.00 0.00 C ATOM 652 C ARG A 42 69.914 -2.267 -0.308 1.00 0.00 C ATOM 653 O ARG A 42 69.787 -2.213 0.915 1.00 0.00 O ATOM 654 CB ARG A 42 72.157 -1.180 -0.404 1.00 0.00 C ATOM 655 CG ARG A 42 73.225 -1.174 -1.500 1.00 0.00 C ATOM 656 CD ARG A 42 74.607 -1.066 -0.861 1.00 0.00 C ATOM 657 NE ARG A 42 75.645 -1.275 -1.864 1.00 0.00 N ATOM 658 CZ ARG A 42 76.869 -1.658 -1.516 1.00 0.00 C ATOM 659 NH1 ARG A 42 77.780 -1.841 -2.434 1.00 0.00 N ATOM 660 NH2 ARG A 42 77.162 -1.850 -0.260 1.00 0.00 N ATOM 0 H ARG A 42 69.870 0.384 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 42 70.869 -1.553 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.243 -0.283 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.304 -2.033 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 42 73.157 -2.085 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.060 -0.338 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.727 -0.085 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.706 -1.804 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 42 75.428 -1.125 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.551 -1.690 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 42 78.720 -2.135 -2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.451 -1.706 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 42 78.102 -2.144 0.005 1.00 0.00 H new ATOM 674 N LEU A 43 69.329 -3.198 -1.055 1.00 0.00 N ATOM 675 CA LEU A 43 68.484 -4.224 -0.456 1.00 0.00 C ATOM 676 C LEU A 43 69.304 -5.471 -0.139 1.00 0.00 C ATOM 677 O LEU A 43 69.848 -6.111 -1.039 1.00 0.00 O ATOM 678 CB LEU A 43 67.348 -4.592 -1.418 1.00 0.00 C ATOM 679 CG LEU A 43 66.185 -3.601 -1.272 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.490 -3.785 0.083 1.00 0.00 C ATOM 681 CD2 LEU A 43 66.717 -2.171 -1.377 1.00 0.00 C ATOM 0 H LEU A 43 69.424 -3.263 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 43 68.065 -3.830 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.715 -4.584 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.001 -5.604 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 43 65.464 -3.788 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.668 -3.074 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 43 65.101 -4.801 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 43 66.206 -3.611 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 43 65.891 -1.467 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 67.446 -1.995 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 67.194 -2.031 -2.347 1.00 0.00 H new ATOM 693 N ILE A 44 69.387 -5.805 1.148 1.00 0.00 N ATOM 694 CA ILE A 44 70.143 -6.976 1.586 1.00 0.00 C ATOM 695 C ILE A 44 69.230 -7.944 2.335 1.00 0.00 C ATOM 696 O ILE A 44 68.334 -7.524 3.066 1.00 0.00 O ATOM 697 CB ILE A 44 71.297 -6.542 2.500 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.511 -6.138 1.655 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.695 -7.703 3.417 1.00 0.00 C ATOM 700 CD1 ILE A 44 72.163 -4.932 0.777 1.00 0.00 C ATOM 0 H ILE A 44 68.942 -5.283 1.903 1.00 0.00 H new ATOM 0 HA ILE A 44 70.549 -7.479 0.708 1.00 0.00 H new ATOM 0 HB ILE A 44 70.969 -5.692 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.351 -5.894 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 44 72.824 -6.975 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.515 -7.391 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.840 -7.993 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 44 72.014 -8.552 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 44 73.032 -4.653 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.337 -5.190 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.873 -4.093 1.410 1.00 0.00 H new ATOM 712 N PHE A 45 69.467 -9.239 2.150 1.00 0.00 N ATOM 713 CA PHE A 45 68.661 -10.255 2.817 1.00 0.00 C ATOM 714 C PHE A 45 69.535 -11.428 3.252 1.00 0.00 C ATOM 715 O PHE A 45 70.721 -11.484 2.928 1.00 0.00 O ATOM 716 CB PHE A 45 67.563 -10.755 1.877 1.00 0.00 C ATOM 717 CG PHE A 45 66.631 -11.671 2.632 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.793 -13.059 2.548 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.604 -11.133 3.417 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.928 -13.909 3.248 1.00 0.00 C ATOM 721 CE2 PHE A 45 64.739 -11.983 4.118 1.00 0.00 C ATOM 722 CZ PHE A 45 64.901 -13.371 4.032 1.00 0.00 C ATOM 0 H PHE A 45 70.204 -9.607 1.549 1.00 0.00 H new ATOM 0 HA PHE A 45 68.204 -9.808 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 45 67.008 -9.911 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.005 -11.284 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.585 -13.474 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.479 -10.062 3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.053 -14.980 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 45 63.948 -11.568 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.233 -14.027 4.571 1.00 0.00 H new ATOM 732 N ALA A 46 68.942 -12.363 3.988 1.00 0.00 N ATOM 733 CA ALA A 46 69.677 -13.528 4.461 1.00 0.00 C ATOM 734 C ALA A 46 69.951 -14.493 3.312 1.00 0.00 C ATOM 735 O ALA A 46 69.678 -15.689 3.414 1.00 0.00 O ATOM 736 CB ALA A 46 68.878 -14.244 5.552 1.00 0.00 C ATOM 0 H ALA A 46 67.961 -12.336 4.268 1.00 0.00 H new ATOM 0 HA ALA A 46 70.629 -13.190 4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 46 69.435 -15.114 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 46 68.711 -13.563 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 67.918 -14.566 5.148 1.00 0.00 H new ATOM 742 N GLY A 47 70.490 -13.963 2.219 1.00 0.00 N ATOM 743 CA GLY A 47 70.800 -14.785 1.053 1.00 0.00 C ATOM 744 C GLY A 47 72.176 -14.439 0.497 1.00 0.00 C ATOM 745 O GLY A 47 72.400 -14.495 -0.711 1.00 0.00 O ATOM 0 H GLY A 47 70.720 -12.975 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 70.768 -15.839 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 47 70.043 -14.633 0.284 1.00 0.00 H new ATOM 749 N LYS A 48 73.094 -14.081 1.389 1.00 0.00 N ATOM 750 CA LYS A 48 74.448 -13.725 0.978 1.00 0.00 C ATOM 751 C LYS A 48 75.325 -14.968 0.884 1.00 0.00 C ATOM 752 O LYS A 48 76.301 -14.996 0.135 1.00 0.00 O ATOM 753 CB LYS A 48 75.056 -12.744 1.981 1.00 0.00 C ATOM 754 CG LYS A 48 74.195 -12.707 3.246 1.00 0.00 C ATOM 755 CD LYS A 48 74.875 -11.834 4.301 1.00 0.00 C ATOM 756 CE LYS A 48 73.826 -11.299 5.276 1.00 0.00 C ATOM 757 NZ LYS A 48 73.039 -12.436 5.831 1.00 0.00 N ATOM 0 H LYS A 48 72.927 -14.030 2.394 1.00 0.00 H new ATOM 0 HA LYS A 48 74.397 -13.256 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 48 76.073 -13.046 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 48 75.117 -11.749 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 48 73.206 -12.312 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 48 74.052 -13.717 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.625 -12.414 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.397 -11.006 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 48 74.311 -10.750 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 73.164 -10.599 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 72.292 -12.069 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 72.607 -12.972 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 73.668 -13.061 6.374 1.00 0.00 H new ATOM 771 N GLN A 49 74.971 -15.995 1.649 1.00 0.00 N ATOM 772 CA GLN A 49 75.733 -17.239 1.644 1.00 0.00 C ATOM 773 C GLN A 49 75.990 -17.705 0.214 1.00 0.00 C ATOM 774 O GLN A 49 76.810 -18.592 -0.021 1.00 0.00 O ATOM 775 CB GLN A 49 74.969 -18.323 2.407 1.00 0.00 C ATOM 776 CG GLN A 49 75.964 -19.259 3.098 1.00 0.00 C ATOM 777 CD GLN A 49 75.312 -20.612 3.356 1.00 0.00 C ATOM 778 OE1 GLN A 49 75.697 -21.613 2.752 1.00 0.00 O ATOM 779 NE2 GLN A 49 74.341 -20.704 4.223 1.00 0.00 N ATOM 0 H GLN A 49 74.167 -15.992 2.277 1.00 0.00 H new ATOM 0 HA GLN A 49 76.691 -17.058 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 49 74.310 -17.867 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 74.337 -18.888 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 49 76.850 -19.385 2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 49 76.296 -18.820 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 74.023 -19.874 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 49 73.900 -21.606 4.401 1.00 0.00 H new ATOM 788 N LEU A 50 75.285 -17.101 -0.736 1.00 0.00 N ATOM 789 CA LEU A 50 75.444 -17.464 -2.140 1.00 0.00 C ATOM 790 C LEU A 50 76.445 -16.536 -2.822 1.00 0.00 C ATOM 791 O LEU A 50 76.705 -15.430 -2.349 1.00 0.00 O ATOM 792 CB LEU A 50 74.094 -17.379 -2.856 1.00 0.00 C ATOM 793 CG LEU A 50 72.995 -17.910 -1.937 1.00 0.00 C ATOM 794 CD1 LEU A 50 71.667 -17.951 -2.697 1.00 0.00 C ATOM 795 CD2 LEU A 50 73.358 -19.322 -1.472 1.00 0.00 C ATOM 0 H LEU A 50 74.603 -16.363 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 50 75.819 -18.486 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 50 73.883 -16.347 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 50 74.123 -17.959 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 50 72.898 -17.254 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 70.884 -18.330 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 50 71.407 -16.946 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 50 71.763 -18.606 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 50 72.575 -19.702 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 50 73.455 -19.977 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 50 74.303 -19.295 -0.930 1.00 0.00 H new ATOM 807 N GLU A 51 77.006 -16.996 -3.937 1.00 0.00 N ATOM 808 CA GLU A 51 77.978 -16.200 -4.676 1.00 0.00 C ATOM 809 C GLU A 51 77.280 -15.104 -5.471 1.00 0.00 C ATOM 810 O GLU A 51 76.128 -15.255 -5.879 1.00 0.00 O ATOM 811 CB GLU A 51 78.772 -17.096 -5.629 1.00 0.00 C ATOM 812 CG GLU A 51 79.676 -18.029 -4.820 1.00 0.00 C ATOM 813 CD GLU A 51 79.989 -19.282 -5.630 1.00 0.00 C ATOM 814 OE1 GLU A 51 80.639 -19.155 -6.654 1.00 0.00 O ATOM 815 OE2 GLU A 51 79.576 -20.352 -5.212 1.00 0.00 O ATOM 0 H GLU A 51 76.805 -17.909 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 51 78.658 -15.738 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.091 -17.680 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.372 -16.485 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.601 -17.515 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.187 -18.303 -3.885 1.00 0.00 H new ATOM 822 N ASP A 52 77.986 -14.001 -5.685 1.00 0.00 N ATOM 823 CA ASP A 52 77.428 -12.880 -6.433 1.00 0.00 C ATOM 824 C ASP A 52 76.774 -13.368 -7.720 1.00 0.00 C ATOM 825 O ASP A 52 75.989 -12.649 -8.341 1.00 0.00 O ATOM 826 CB ASP A 52 78.531 -11.875 -6.769 1.00 0.00 C ATOM 827 CG ASP A 52 79.182 -11.363 -5.488 1.00 0.00 C ATOM 828 OD1 ASP A 52 78.544 -11.444 -4.451 1.00 0.00 O ATOM 829 OD2 ASP A 52 80.306 -10.899 -5.562 1.00 0.00 O ATOM 0 H ASP A 52 78.940 -13.858 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 52 76.672 -12.396 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 52 79.281 -12.346 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 52 78.114 -11.041 -7.333 1.00 0.00 H new ATOM 834 N GLY A 53 77.098 -14.594 -8.116 1.00 0.00 N ATOM 835 CA GLY A 53 76.534 -15.168 -9.331 1.00 0.00 C ATOM 836 C GLY A 53 75.013 -15.229 -9.247 1.00 0.00 C ATOM 837 O GLY A 53 74.321 -15.130 -10.261 1.00 0.00 O ATOM 0 H GLY A 53 77.744 -15.206 -7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 53 76.831 -14.570 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 53 76.934 -16.170 -9.485 1.00 0.00 H new ATOM 841 N ARG A 54 74.498 -15.393 -8.033 1.00 0.00 N ATOM 842 CA ARG A 54 73.057 -15.466 -7.827 1.00 0.00 C ATOM 843 C ARG A 54 72.523 -14.135 -7.308 1.00 0.00 C ATOM 844 O ARG A 54 73.251 -13.366 -6.678 1.00 0.00 O ATOM 845 CB ARG A 54 72.726 -16.576 -6.828 1.00 0.00 C ATOM 846 CG ARG A 54 73.562 -17.816 -7.148 1.00 0.00 C ATOM 847 CD ARG A 54 73.311 -18.242 -8.597 1.00 0.00 C ATOM 848 NE ARG A 54 73.667 -19.644 -8.780 1.00 0.00 N ATOM 849 CZ ARG A 54 72.862 -20.617 -8.371 1.00 0.00 C ATOM 850 NH1 ARG A 54 73.204 -21.864 -8.548 1.00 0.00 N ATOM 851 NH2 ARG A 54 71.728 -20.327 -7.792 1.00 0.00 N ATOM 0 H ARG A 54 75.054 -15.477 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 54 72.583 -15.687 -8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 54 72.931 -16.238 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 54 71.664 -16.818 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 74.620 -17.602 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 54 73.302 -18.628 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 54 72.262 -18.090 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 54 73.897 -17.619 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 54 74.551 -19.881 -9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 54 74.090 -22.091 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 54 72.586 -22.612 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG A 54 71.460 -19.352 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 54 71.110 -21.075 -7.478 1.00 0.00 H new ATOM 865 N THR A 55 71.248 -13.868 -7.575 1.00 0.00 N ATOM 866 CA THR A 55 70.627 -12.626 -7.129 1.00 0.00 C ATOM 867 C THR A 55 69.757 -12.873 -5.901 1.00 0.00 C ATOM 868 O THR A 55 69.456 -14.017 -5.561 1.00 0.00 O ATOM 869 CB THR A 55 69.772 -12.037 -8.253 1.00 0.00 C ATOM 870 OG1 THR A 55 68.742 -12.956 -8.593 1.00 0.00 O ATOM 871 CG2 THR A 55 70.648 -11.773 -9.478 1.00 0.00 C ATOM 0 H THR A 55 70.629 -14.490 -8.094 1.00 0.00 H new ATOM 0 HA THR A 55 71.416 -11.921 -6.865 1.00 0.00 H new ATOM 0 HB THR A 55 69.327 -11.099 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 55 68.192 -12.580 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 55 70.038 -11.354 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 55 71.437 -11.068 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 55 71.094 -12.709 -9.815 1.00 0.00 H new ATOM 879 N LEU A 56 69.357 -11.792 -5.239 1.00 0.00 N ATOM 880 CA LEU A 56 68.522 -11.897 -4.053 1.00 0.00 C ATOM 881 C LEU A 56 67.213 -12.607 -4.384 1.00 0.00 C ATOM 882 O LEU A 56 66.674 -13.351 -3.564 1.00 0.00 O ATOM 883 CB LEU A 56 68.228 -10.495 -3.522 1.00 0.00 C ATOM 884 CG LEU A 56 69.457 -9.905 -2.804 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.590 -10.498 -1.397 1.00 0.00 C ATOM 886 CD2 LEU A 56 70.747 -10.178 -3.591 1.00 0.00 C ATOM 0 H LEU A 56 69.598 -10.837 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 56 69.049 -12.477 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.937 -9.844 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.384 -10.533 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 56 69.310 -8.827 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.463 -10.071 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.696 -10.266 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.706 -11.580 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 71.596 -9.749 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 70.889 -11.254 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 56 70.673 -9.725 -4.580 1.00 0.00 H new ATOM 898 N SER A 57 66.704 -12.368 -5.588 1.00 0.00 N ATOM 899 CA SER A 57 65.456 -12.989 -6.018 1.00 0.00 C ATOM 900 C SER A 57 65.606 -14.504 -6.089 1.00 0.00 C ATOM 901 O SER A 57 64.645 -15.244 -5.879 1.00 0.00 O ATOM 902 CB SER A 57 65.049 -12.449 -7.389 1.00 0.00 C ATOM 903 OG SER A 57 64.549 -11.126 -7.244 1.00 0.00 O ATOM 0 H SER A 57 67.133 -11.753 -6.280 1.00 0.00 H new ATOM 0 HA SER A 57 64.683 -12.747 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 57 65.905 -12.454 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.289 -13.091 -7.834 1.00 0.00 H new ATOM 0 HG SER A 57 64.871 -10.572 -7.985 1.00 0.00 H new ATOM 909 N ASP A 58 66.818 -14.961 -6.390 1.00 0.00 N ATOM 910 CA ASP A 58 67.081 -16.392 -6.487 1.00 0.00 C ATOM 911 C ASP A 58 66.799 -17.080 -5.154 1.00 0.00 C ATOM 912 O ASP A 58 66.730 -18.306 -5.081 1.00 0.00 O ATOM 913 CB ASP A 58 68.537 -16.632 -6.889 1.00 0.00 C ATOM 914 CG ASP A 58 68.599 -17.579 -8.082 1.00 0.00 C ATOM 915 OD1 ASP A 58 68.170 -17.181 -9.152 1.00 0.00 O ATOM 916 OD2 ASP A 58 69.073 -18.690 -7.908 1.00 0.00 O ATOM 0 H ASP A 58 67.627 -14.366 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 58 66.422 -16.812 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 58 69.014 -15.685 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 69.090 -17.054 -6.050 1.00 0.00 H new ATOM 921 N TYR A 59 66.636 -16.281 -4.105 1.00 0.00 N ATOM 922 CA TYR A 59 66.361 -16.824 -2.779 1.00 0.00 C ATOM 923 C TYR A 59 64.864 -17.053 -2.601 1.00 0.00 C ATOM 924 O TYR A 59 64.416 -17.517 -1.552 1.00 0.00 O ATOM 925 CB TYR A 59 66.865 -15.862 -1.703 1.00 0.00 C ATOM 926 CG TYR A 59 67.420 -16.652 -0.542 1.00 0.00 C ATOM 927 CD1 TYR A 59 66.628 -16.887 0.588 1.00 0.00 C ATOM 928 CD2 TYR A 59 68.727 -17.150 -0.598 1.00 0.00 C ATOM 929 CE1 TYR A 59 67.143 -17.620 1.663 1.00 0.00 C ATOM 930 CE2 TYR A 59 69.243 -17.883 0.478 1.00 0.00 C ATOM 931 CZ TYR A 59 68.451 -18.117 1.609 1.00 0.00 C ATOM 932 OH TYR A 59 68.959 -18.840 2.669 1.00 0.00 O ATOM 0 H TYR A 59 66.689 -15.263 -4.146 1.00 0.00 H new ATOM 0 HA TYR A 59 66.880 -17.777 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.636 -15.210 -2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 59 66.052 -15.220 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 59 65.620 -16.503 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 59 69.337 -16.969 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 59 66.532 -17.802 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 59 70.251 -18.268 0.436 1.00 0.00 H new ATOM 0 HH TYR A 59 69.879 -19.111 2.469 1.00 0.00 H new ATOM 942 N ASN A 60 64.095 -16.726 -3.634 1.00 0.00 N ATOM 943 CA ASN A 60 62.649 -16.900 -3.586 1.00 0.00 C ATOM 944 C ASN A 60 62.077 -16.294 -2.309 1.00 0.00 C ATOM 945 O ASN A 60 61.321 -16.944 -1.586 1.00 0.00 O ATOM 946 CB ASN A 60 62.301 -18.388 -3.650 1.00 0.00 C ATOM 947 CG ASN A 60 63.089 -19.059 -4.769 1.00 0.00 C ATOM 948 OD1 ASN A 60 64.150 -19.633 -4.525 1.00 0.00 O ATOM 949 ND2 ASN A 60 62.633 -19.017 -5.991 1.00 0.00 N ATOM 0 H ASN A 60 64.447 -16.341 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 60 62.211 -16.388 -4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 60 62.529 -18.865 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.232 -18.513 -3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.156 -19.460 -6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 60 61.753 -18.541 -6.191 1.00 0.00 H new ATOM 956 N ILE A 61 62.441 -15.045 -2.036 1.00 0.00 N ATOM 957 CA ILE A 61 61.957 -14.360 -0.843 1.00 0.00 C ATOM 958 C ILE A 61 60.476 -14.655 -0.621 1.00 0.00 C ATOM 959 O ILE A 61 59.650 -14.436 -1.507 1.00 0.00 O ATOM 960 CB ILE A 61 62.165 -12.852 -0.988 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.604 -12.503 -0.604 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.198 -12.105 -0.064 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.915 -11.072 -1.040 1.00 0.00 C ATOM 0 H ILE A 61 63.066 -14.490 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 61 62.520 -14.722 0.017 1.00 0.00 H new ATOM 0 HB ILE A 61 61.976 -12.558 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.739 -12.604 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.297 -13.198 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.350 -11.031 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.172 -12.355 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.384 -12.397 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.940 -10.823 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.797 -10.987 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.230 -10.384 -0.545 1.00 0.00 H new ATOM 975 N GLN A 62 60.149 -15.156 0.566 1.00 0.00 N ATOM 976 CA GLN A 62 58.766 -15.478 0.894 1.00 0.00 C ATOM 977 C GLN A 62 58.119 -14.339 1.673 1.00 0.00 C ATOM 978 O GLN A 62 58.798 -13.599 2.386 1.00 0.00 O ATOM 979 CB GLN A 62 58.712 -16.763 1.725 1.00 0.00 C ATOM 980 CG GLN A 62 59.516 -17.860 1.024 1.00 0.00 C ATOM 981 CD GLN A 62 58.841 -19.211 1.230 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.438 -20.123 1.800 1.00 0.00 O ATOM 983 NE2 GLN A 62 57.623 -19.395 0.798 1.00 0.00 N ATOM 0 H GLN A 62 60.818 -15.347 1.312 1.00 0.00 H new ATOM 0 HA GLN A 62 58.217 -15.623 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.116 -16.582 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 62 57.678 -17.082 1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.594 -17.641 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 62 60.532 -17.887 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 62 57.130 -18.638 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 62 57.165 -20.296 0.933 1.00 0.00 H new ATOM 992 N LYS A 63 56.805 -14.203 1.532 1.00 0.00 N ATOM 993 CA LYS A 63 56.076 -13.153 2.224 1.00 0.00 C ATOM 994 C LYS A 63 56.516 -13.065 3.681 1.00 0.00 C ATOM 995 O LYS A 63 57.265 -13.913 4.165 1.00 0.00 O ATOM 996 CB LYS A 63 54.571 -13.433 2.158 1.00 0.00 C ATOM 997 CG LYS A 63 54.248 -14.339 0.964 1.00 0.00 C ATOM 998 CD LYS A 63 54.466 -15.803 1.355 1.00 0.00 C ATOM 999 CE LYS A 63 54.978 -16.584 0.143 1.00 0.00 C ATOM 1000 NZ LYS A 63 54.014 -16.438 -0.984 1.00 0.00 N ATOM 0 H LYS A 63 56.227 -14.806 0.946 1.00 0.00 H new ATOM 0 HA LYS A 63 56.291 -12.203 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.242 -13.908 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.024 -12.495 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.216 -14.187 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.883 -14.080 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.183 -15.869 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 53.533 -16.238 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 63 55.960 -16.214 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 55.098 -17.637 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 53.904 -17.352 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 53.092 -16.129 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 54.372 -15.731 -1.657 1.00 0.00 H new ATOM 1014 N GLU A 64 56.047 -12.032 4.374 1.00 0.00 N ATOM 1015 CA GLU A 64 56.401 -11.843 5.776 1.00 0.00 C ATOM 1016 C GLU A 64 57.900 -12.034 5.979 1.00 0.00 C ATOM 1017 O GLU A 64 58.329 -12.960 6.668 1.00 0.00 O ATOM 1018 CB GLU A 64 55.634 -12.839 6.648 1.00 0.00 C ATOM 1019 CG GLU A 64 54.138 -12.532 6.580 1.00 0.00 C ATOM 1020 CD GLU A 64 53.334 -13.815 6.762 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.202 -14.253 7.893 1.00 0.00 O ATOM 1022 OE2 GLU A 64 52.862 -14.341 5.768 1.00 0.00 O ATOM 0 H GLU A 64 55.426 -11.319 3.992 1.00 0.00 H new ATOM 0 HA GLU A 64 56.133 -10.827 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 64 55.823 -13.857 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.982 -12.778 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 64 53.870 -11.812 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.895 -12.074 5.621 1.00 0.00 H new ATOM 1029 N SER A 65 58.691 -11.152 5.377 1.00 0.00 N ATOM 1030 CA SER A 65 60.143 -11.232 5.497 1.00 0.00 C ATOM 1031 C SER A 65 60.736 -9.852 5.756 1.00 0.00 C ATOM 1032 O SER A 65 60.368 -8.874 5.105 1.00 0.00 O ATOM 1033 CB SER A 65 60.741 -11.814 4.216 1.00 0.00 C ATOM 1034 OG SER A 65 60.905 -13.217 4.369 1.00 0.00 O ATOM 0 H SER A 65 58.354 -10.378 4.804 1.00 0.00 H new ATOM 0 HA SER A 65 60.384 -11.882 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.089 -11.603 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.702 -11.345 4.004 1.00 0.00 H new ATOM 0 HG SER A 65 60.277 -13.686 3.780 1.00 0.00 H new ATOM 1040 N THR A 66 61.655 -9.778 6.713 1.00 0.00 N ATOM 1041 CA THR A 66 62.294 -8.511 7.050 1.00 0.00 C ATOM 1042 C THR A 66 63.531 -8.289 6.186 1.00 0.00 C ATOM 1043 O THR A 66 64.527 -9.000 6.316 1.00 0.00 O ATOM 1044 CB THR A 66 62.693 -8.504 8.527 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.612 -8.994 9.310 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.034 -7.078 8.960 1.00 0.00 C ATOM 0 H THR A 66 61.972 -10.574 7.266 1.00 0.00 H new ATOM 0 HA THR A 66 61.584 -7.706 6.862 1.00 0.00 H new ATOM 0 HB THR A 66 63.565 -9.142 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 66 61.866 -8.992 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.318 -7.075 10.012 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.863 -6.704 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.164 -6.437 8.817 1.00 0.00 H new ATOM 1054 N LEU A 67 63.461 -7.296 5.305 1.00 0.00 N ATOM 1055 CA LEU A 67 64.581 -6.987 4.424 1.00 0.00 C ATOM 1056 C LEU A 67 65.451 -5.890 5.031 1.00 0.00 C ATOM 1057 O LEU A 67 64.950 -4.989 5.704 1.00 0.00 O ATOM 1058 CB LEU A 67 64.060 -6.530 3.058 1.00 0.00 C ATOM 1059 CG LEU A 67 63.730 -7.749 2.192 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.509 -7.447 1.326 1.00 0.00 C ATOM 1061 CD2 LEU A 67 64.925 -8.071 1.291 1.00 0.00 C ATOM 0 H LEU A 67 62.646 -6.695 5.183 1.00 0.00 H new ATOM 0 HA LEU A 67 65.183 -7.887 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.171 -5.913 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.808 -5.912 2.562 1.00 0.00 H new ATOM 0 HG LEU A 67 63.516 -8.603 2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.276 -8.316 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.657 -7.216 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.721 -6.593 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.692 -8.939 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 65.138 -7.216 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 67 65.797 -8.288 1.907 1.00 0.00 H new ATOM 1073 N HIS A 68 66.755 -5.974 4.791 1.00 0.00 N ATOM 1074 CA HIS A 68 67.684 -4.983 5.322 1.00 0.00 C ATOM 1075 C HIS A 68 68.023 -3.943 4.260 1.00 0.00 C ATOM 1076 O HIS A 68 68.618 -4.265 3.232 1.00 0.00 O ATOM 1077 CB HIS A 68 68.968 -5.671 5.793 1.00 0.00 C ATOM 1078 CG HIS A 68 68.638 -6.659 6.879 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.954 -7.836 6.623 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.890 -6.657 8.228 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.820 -8.490 7.792 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.373 -7.815 8.802 1.00 0.00 N ATOM 0 H HIS A 68 67.190 -6.712 4.237 1.00 0.00 H new ATOM 0 HA HIS A 68 67.209 -4.482 6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.448 -6.180 4.957 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.676 -4.930 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.410 -5.876 8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.326 -9.444 7.899 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.409 -8.089 9.784 1.00 0.00 H new ATOM 1090 N LEU A 69 67.639 -2.695 4.517 1.00 0.00 N ATOM 1091 CA LEU A 69 67.905 -1.613 3.576 1.00 0.00 C ATOM 1092 C LEU A 69 69.030 -0.723 4.091 1.00 0.00 C ATOM 1093 O LEU A 69 68.940 -0.159 5.182 1.00 0.00 O ATOM 1094 CB LEU A 69 66.632 -0.782 3.366 1.00 0.00 C ATOM 1095 CG LEU A 69 66.818 0.188 2.185 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.460 0.766 1.790 1.00 0.00 C ATOM 1097 CD2 LEU A 69 67.759 1.340 2.564 1.00 0.00 C ATOM 0 H LEU A 69 67.146 -2.410 5.363 1.00 0.00 H new ATOM 0 HA LEU A 69 68.213 -2.045 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.786 -1.442 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.401 -0.223 4.272 1.00 0.00 H new ATOM 0 HG LEU A 69 67.255 -0.362 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.587 1.454 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 64.792 -0.043 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.032 1.301 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.874 2.011 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.339 1.891 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.733 0.938 2.843 1.00 0.00 H new ATOM 1109 N VAL A 70 70.086 -0.600 3.289 1.00 0.00 N ATOM 1110 CA VAL A 70 71.231 0.227 3.660 1.00 0.00 C ATOM 1111 C VAL A 70 71.360 1.415 2.711 1.00 0.00 C ATOM 1112 O VAL A 70 71.039 1.315 1.526 1.00 0.00 O ATOM 1113 CB VAL A 70 72.513 -0.604 3.615 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.624 0.124 4.374 1.00 0.00 C ATOM 1115 CG2 VAL A 70 72.258 -1.965 4.267 1.00 0.00 C ATOM 0 H VAL A 70 70.172 -1.060 2.383 1.00 0.00 H new ATOM 0 HA VAL A 70 71.075 0.598 4.673 1.00 0.00 H new ATOM 0 HB VAL A 70 72.817 -0.746 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.537 -0.470 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.805 1.094 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.322 0.268 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.171 -2.560 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.954 -1.821 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.468 -2.485 3.726 1.00 0.00 H new ATOM 1125 N LEU A 71 71.829 2.539 3.241 1.00 0.00 N ATOM 1126 CA LEU A 71 71.995 3.744 2.437 1.00 0.00 C ATOM 1127 C LEU A 71 73.445 3.893 1.987 1.00 0.00 C ATOM 1128 O LEU A 71 74.364 3.882 2.805 1.00 0.00 O ATOM 1129 CB LEU A 71 71.585 4.976 3.248 1.00 0.00 C ATOM 1130 CG LEU A 71 70.108 4.868 3.646 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.741 6.041 4.557 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.222 4.904 2.395 1.00 0.00 C ATOM 0 H LEU A 71 72.100 2.641 4.219 1.00 0.00 H new ATOM 0 HA LEU A 71 71.358 3.659 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 71 72.206 5.059 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.748 5.880 2.661 1.00 0.00 H new ATOM 0 HG LEU A 71 69.949 3.926 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.691 5.966 4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.362 6.015 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.908 6.979 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.175 4.827 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.382 5.842 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.479 4.069 1.743 1.00 0.00 H new ATOM 1144 N ARG A 72 73.639 4.035 0.680 1.00 0.00 N ATOM 1145 CA ARG A 72 74.980 4.188 0.127 1.00 0.00 C ATOM 1146 C ARG A 72 75.249 5.647 -0.230 1.00 0.00 C ATOM 1147 O ARG A 72 74.758 6.149 -1.240 1.00 0.00 O ATOM 1148 CB ARG A 72 75.132 3.319 -1.120 1.00 0.00 C ATOM 1149 CG ARG A 72 76.472 2.582 -1.069 1.00 0.00 C ATOM 1150 CD ARG A 72 76.785 2.005 -2.449 1.00 0.00 C ATOM 1151 NE ARG A 72 77.849 1.012 -2.352 1.00 0.00 N ATOM 1152 CZ ARG A 72 79.116 1.377 -2.192 1.00 0.00 C ATOM 1153 NH1 ARG A 72 80.052 0.470 -2.116 1.00 0.00 N ATOM 1154 NH2 ARG A 72 79.426 2.642 -2.110 1.00 0.00 N ATOM 0 H ARG A 72 72.890 4.047 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 72 75.702 3.871 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.313 2.602 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 75.079 3.938 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 72 77.264 3.264 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 72 76.433 1.783 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 72 75.890 1.549 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.085 2.805 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 72 77.616 0.021 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 72 79.810 -0.519 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 72 81.025 0.750 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 72 78.695 3.351 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 72 80.399 2.922 -1.987 1.00 0.00 H new ATOM 1168 N LEU A 73 76.030 6.322 0.607 1.00 0.00 N ATOM 1169 CA LEU A 73 76.354 7.724 0.369 1.00 0.00 C ATOM 1170 C LEU A 73 75.097 8.512 0.018 1.00 0.00 C ATOM 1171 O LEU A 73 74.845 8.810 -1.149 1.00 0.00 O ATOM 1172 CB LEU A 73 77.366 7.839 -0.773 1.00 0.00 C ATOM 1173 CG LEU A 73 78.759 7.476 -0.260 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.746 6.049 0.289 1.00 0.00 C ATOM 1175 CD2 LEU A 73 79.766 7.570 -1.407 1.00 0.00 C ATOM 0 H LEU A 73 76.447 5.925 1.449 1.00 0.00 H new ATOM 0 HA LEU A 73 76.786 8.138 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.084 7.176 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.367 8.854 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 73 79.044 8.168 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.740 5.791 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.029 5.980 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.460 5.357 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.760 7.311 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.480 6.879 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.777 8.587 -1.799 1.00 0.00 H new ATOM 1187 N ARG A 74 74.310 8.849 1.036 1.00 0.00 N ATOM 1188 CA ARG A 74 73.080 9.602 0.822 1.00 0.00 C ATOM 1189 C ARG A 74 73.292 11.077 1.152 1.00 0.00 C ATOM 1190 O ARG A 74 73.895 11.416 2.170 1.00 0.00 O ATOM 1191 CB ARG A 74 71.962 9.036 1.700 1.00 0.00 C ATOM 1192 CG ARG A 74 70.651 9.761 1.386 1.00 0.00 C ATOM 1193 CD ARG A 74 69.496 9.058 2.102 1.00 0.00 C ATOM 1194 NE ARG A 74 68.321 9.922 2.134 1.00 0.00 N ATOM 1195 CZ ARG A 74 68.237 10.934 2.991 1.00 0.00 C ATOM 1196 NH1 ARG A 74 67.175 11.693 3.001 1.00 0.00 N ATOM 1197 NH2 ARG A 74 69.214 11.168 3.824 1.00 0.00 N ATOM 0 H ARG A 74 74.501 8.614 2.010 1.00 0.00 H new ATOM 0 HA ARG A 74 72.798 9.512 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 74 71.851 7.967 1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 74 72.215 9.158 2.753 1.00 0.00 H new ATOM 0 HG2 ARG A 74 70.712 10.801 1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 70.476 9.768 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 74 69.256 8.125 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 74 69.793 8.798 3.118 1.00 0.00 H new ATOM 0 HE ARG A 74 67.551 9.746 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.411 11.509 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.110 12.470 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 74 70.043 10.574 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.149 11.945 4.481 1.00 0.00 H new ATOM 1211 N GLY A 75 72.788 11.949 0.285 1.00 0.00 N ATOM 1212 CA GLY A 75 72.927 13.386 0.493 1.00 0.00 C ATOM 1213 C GLY A 75 71.621 13.991 0.995 1.00 0.00 C ATOM 1214 O GLY A 75 71.027 13.500 1.957 1.00 0.00 O ATOM 0 H GLY A 75 72.283 11.689 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.722 13.578 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.220 13.866 -0.441 1.00 0.00 H new ATOM 1218 N GLY A 76 71.177 15.058 0.339 1.00 0.00 N ATOM 1219 CA GLY A 76 69.938 15.722 0.727 1.00 0.00 C ATOM 1220 C GLY A 76 70.219 16.897 1.657 1.00 0.00 C ATOM 1221 O GLY A 76 71.383 17.173 1.897 1.00 0.00 O ATOM 1222 OXT GLY A 76 69.266 17.505 2.116 1.00 0.00 O ATOM 0 H GLY A 76 71.653 15.479 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.415 16.074 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.279 15.010 1.223 1.00 0.00 H new TER 1226 GLY A 76