USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 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 -175:sc= 0.104 USER MOD Set 1.2: A 9 THR OG1 : rot -62:sc= -0.435 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.413 (180deg=0.288) USER MOD Single : A 2 GLN : amide:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0107) 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 -75:sc= 1.7 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00551 X(o=-0.0055,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= -1.63! (180deg=-3.93!) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.262) USER MOD Single : A 31 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -2.04! C(o=-2!,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.27 K(o=1.3,f=-9.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.64 USER MOD Single : A 57 SER OG : rot 180: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) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -70:sc= 0.916 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 74.100 -15.598 8.239 1.00 0.00 N ATOM 2 CA MET A 1 73.501 -15.924 6.913 1.00 0.00 C ATOM 3 C MET A 1 73.911 -14.862 5.899 1.00 0.00 C ATOM 4 O MET A 1 73.141 -13.955 5.592 1.00 0.00 O ATOM 5 CB MET A 1 71.976 -15.962 7.040 1.00 0.00 C ATOM 6 CG MET A 1 71.557 -17.232 7.782 1.00 0.00 C ATOM 7 SD MET A 1 69.774 -17.187 8.095 1.00 0.00 S ATOM 8 CE MET A 1 69.253 -17.979 6.554 1.00 0.00 C ATOM 0 H1 MET A 1 73.981 -16.407 8.882 1.00 0.00 H new ATOM 0 H2 MET A 1 75.113 -15.395 8.122 1.00 0.00 H new ATOM 0 H3 MET A 1 73.624 -14.765 8.640 1.00 0.00 H new ATOM 0 HA MET A 1 73.857 -16.898 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.623 -15.081 7.577 1.00 0.00 H new ATOM 0 HB3 MET A 1 71.517 -15.938 6.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.811 -18.112 7.191 1.00 0.00 H new ATOM 0 HG3 MET A 1 72.101 -17.312 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.166 -18.056 6.534 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.591 -17.383 5.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.688 -18.976 6.492 1.00 0.00 H new ATOM 20 N GLN A 2 75.128 -14.986 5.378 1.00 0.00 N ATOM 21 CA GLN A 2 75.634 -14.032 4.395 1.00 0.00 C ATOM 22 C GLN A 2 74.603 -13.795 3.297 1.00 0.00 C ATOM 23 O GLN A 2 73.727 -14.615 3.069 1.00 0.00 O ATOM 24 CB GLN A 2 76.924 -14.569 3.769 1.00 0.00 C ATOM 25 CG GLN A 2 78.135 -13.907 4.432 1.00 0.00 C ATOM 26 CD GLN A 2 78.324 -12.499 3.881 1.00 0.00 C ATOM 27 OE1 GLN A 2 77.616 -12.093 2.961 1.00 0.00 O ATOM 28 NE2 GLN A 2 79.242 -11.727 4.394 1.00 0.00 N ATOM 0 H GLN A 2 75.780 -15.733 5.618 1.00 0.00 H new ATOM 0 HA GLN A 2 75.834 -13.088 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 2 76.976 -15.651 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 2 76.930 -14.370 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 2 77.993 -13.868 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 2 79.030 -14.501 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 2 79.827 -12.068 5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 2 79.375 -10.783 4.032 1.00 0.00 H new ATOM 37 N ILE A 3 74.719 -12.666 2.616 1.00 0.00 N ATOM 38 CA ILE A 3 73.801 -12.333 1.530 1.00 0.00 C ATOM 39 C ILE A 3 74.525 -11.458 0.509 1.00 0.00 C ATOM 40 O ILE A 3 75.657 -11.035 0.750 1.00 0.00 O ATOM 41 CB ILE A 3 72.584 -11.583 2.072 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.047 -10.462 3.003 1.00 0.00 C ATOM 43 CG2 ILE A 3 71.685 -12.547 2.847 1.00 0.00 C ATOM 44 CD1 ILE A 3 71.994 -9.355 3.022 1.00 0.00 C ATOM 0 H ILE A 3 75.437 -11.964 2.793 1.00 0.00 H new ATOM 0 HA ILE A 3 73.463 -13.255 1.056 1.00 0.00 H new ATOM 0 HB ILE A 3 72.025 -11.158 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.202 -10.850 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.004 -10.064 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 3 70.819 -12.008 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.351 -13.345 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.244 -12.976 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.320 -8.554 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.862 -8.961 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.047 -9.759 3.380 1.00 0.00 H new ATOM 56 N PHE A 4 73.877 -11.184 -0.620 1.00 0.00 N ATOM 57 CA PHE A 4 74.484 -10.347 -1.654 1.00 0.00 C ATOM 58 C PHE A 4 73.574 -9.172 -2.006 1.00 0.00 C ATOM 59 O PHE A 4 72.359 -9.331 -2.127 1.00 0.00 O ATOM 60 CB PHE A 4 74.749 -11.180 -2.911 1.00 0.00 C ATOM 61 CG PHE A 4 75.891 -12.135 -2.653 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.213 -11.713 -2.838 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.627 -13.443 -2.231 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.271 -12.600 -2.602 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.684 -14.330 -1.996 1.00 0.00 C ATOM 66 CZ PHE A 4 78.007 -13.908 -2.180 1.00 0.00 C ATOM 0 H PHE A 4 72.942 -11.524 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 4 75.425 -9.957 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.853 -11.735 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 4 74.990 -10.526 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.417 -10.703 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.607 -13.768 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.291 -12.275 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.479 -15.340 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.823 -14.592 -1.996 1.00 0.00 H new ATOM 76 N VAL A 5 74.173 -7.994 -2.176 1.00 0.00 N ATOM 77 CA VAL A 5 73.416 -6.794 -2.524 1.00 0.00 C ATOM 78 C VAL A 5 73.967 -6.178 -3.808 1.00 0.00 C ATOM 79 O VAL A 5 75.134 -5.796 -3.867 1.00 0.00 O ATOM 80 CB VAL A 5 73.497 -5.771 -1.387 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.697 -4.521 -1.762 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.916 -6.381 -0.110 1.00 0.00 C ATOM 0 H VAL A 5 75.177 -7.846 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 5 72.374 -7.073 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 5 74.539 -5.498 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.756 -3.795 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.109 -4.084 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.655 -4.793 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.973 -5.653 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.875 -6.655 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.486 -7.270 0.160 1.00 0.00 H new ATOM 92 N LYS A 6 73.126 -6.087 -4.833 1.00 0.00 N ATOM 93 CA LYS A 6 73.553 -5.522 -6.110 1.00 0.00 C ATOM 94 C LYS A 6 73.152 -4.055 -6.219 1.00 0.00 C ATOM 95 O LYS A 6 72.025 -3.682 -5.893 1.00 0.00 O ATOM 96 CB LYS A 6 72.924 -6.303 -7.267 1.00 0.00 C ATOM 97 CG LYS A 6 73.365 -7.765 -7.202 1.00 0.00 C ATOM 98 CD LYS A 6 74.482 -8.011 -8.220 1.00 0.00 C ATOM 99 CE LYS A 6 73.902 -8.028 -9.637 1.00 0.00 C ATOM 100 NZ LYS A 6 74.697 -7.116 -10.509 1.00 0.00 N ATOM 0 H LYS A 6 72.154 -6.394 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 6 74.639 -5.595 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.837 -6.238 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.223 -5.865 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.715 -8.005 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.519 -8.420 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.239 -7.232 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 74.976 -8.959 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.922 -9.041 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.859 -7.713 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.416 -7.252 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.521 -6.129 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.709 -7.330 -10.403 1.00 0.00 H new ATOM 114 N THR A 7 74.084 -3.231 -6.687 1.00 0.00 N ATOM 115 CA THR A 7 73.828 -1.803 -6.846 1.00 0.00 C ATOM 116 C THR A 7 73.691 -1.447 -8.323 1.00 0.00 C ATOM 117 O THR A 7 73.838 -2.304 -9.194 1.00 0.00 O ATOM 118 CB THR A 7 74.973 -0.997 -6.228 1.00 0.00 C ATOM 119 OG1 THR A 7 76.143 -1.159 -7.017 1.00 0.00 O ATOM 120 CG2 THR A 7 75.240 -1.493 -4.807 1.00 0.00 C ATOM 0 H THR A 7 75.021 -3.526 -6.962 1.00 0.00 H new ATOM 0 HA THR A 7 72.896 -1.559 -6.337 1.00 0.00 H new ATOM 0 HB THR A 7 74.700 0.058 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.896 -0.708 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 7 76.056 -0.918 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.341 -1.367 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.514 -2.548 -4.835 1.00 0.00 H new ATOM 128 N LEU A 8 73.408 -0.177 -8.599 1.00 0.00 N ATOM 129 CA LEU A 8 73.254 0.279 -9.974 1.00 0.00 C ATOM 130 C LEU A 8 74.561 0.121 -10.745 1.00 0.00 C ATOM 131 O LEU A 8 74.560 -0.001 -11.969 1.00 0.00 O ATOM 132 CB LEU A 8 72.831 1.750 -9.983 1.00 0.00 C ATOM 133 CG LEU A 8 71.328 1.865 -9.695 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.510 1.332 -10.880 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.985 1.055 -8.442 1.00 0.00 C ATOM 0 H LEU A 8 73.282 0.549 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 8 72.489 -0.329 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 8 73.397 2.304 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 73.060 2.197 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 8 71.082 2.915 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.447 1.422 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.744 1.911 -11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.758 0.284 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.918 1.136 -8.237 1.00 0.00 H new ATOM 0 HD22 LEU A 8 71.245 0.009 -8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.548 1.442 -7.593 1.00 0.00 H new ATOM 147 N THR A 9 75.675 0.129 -10.020 1.00 0.00 N ATOM 148 CA THR A 9 76.983 -0.012 -10.648 1.00 0.00 C ATOM 149 C THR A 9 77.338 -1.485 -10.826 1.00 0.00 C ATOM 150 O THR A 9 78.448 -1.820 -11.239 1.00 0.00 O ATOM 151 CB THR A 9 78.049 0.673 -9.791 1.00 0.00 C ATOM 152 OG1 THR A 9 78.576 -0.259 -8.858 1.00 0.00 O ATOM 153 CG2 THR A 9 77.424 1.851 -9.040 1.00 0.00 C ATOM 0 H THR A 9 75.699 0.231 -9.005 1.00 0.00 H new ATOM 0 HA THR A 9 76.947 0.461 -11.630 1.00 0.00 H new ATOM 0 HB THR A 9 78.851 1.038 -10.433 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.860 -0.567 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 9 78.185 2.338 -8.430 1.00 0.00 H new ATOM 0 HG22 THR A 9 77.021 2.566 -9.757 1.00 0.00 H new ATOM 0 HG23 THR A 9 76.621 1.488 -8.398 1.00 0.00 H new ATOM 161 N GLY A 10 76.387 -2.361 -10.513 1.00 0.00 N ATOM 162 CA GLY A 10 76.610 -3.795 -10.644 1.00 0.00 C ATOM 163 C GLY A 10 77.537 -4.308 -9.547 1.00 0.00 C ATOM 164 O GLY A 10 77.896 -5.486 -9.524 1.00 0.00 O ATOM 0 H GLY A 10 75.462 -2.104 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.656 -4.321 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.043 -4.011 -11.621 1.00 0.00 H new ATOM 168 N LYS A 11 77.922 -3.419 -8.638 1.00 0.00 N ATOM 169 CA LYS A 11 78.807 -3.795 -7.542 1.00 0.00 C ATOM 170 C LYS A 11 78.058 -4.644 -6.518 1.00 0.00 C ATOM 171 O LYS A 11 77.130 -4.168 -5.864 1.00 0.00 O ATOM 172 CB LYS A 11 79.360 -2.541 -6.863 1.00 0.00 C ATOM 173 CG LYS A 11 80.474 -2.935 -5.891 1.00 0.00 C ATOM 174 CD LYS A 11 81.062 -1.675 -5.250 1.00 0.00 C ATOM 175 CE LYS A 11 82.425 -2.002 -4.639 1.00 0.00 C ATOM 176 NZ LYS A 11 83.504 -1.555 -5.566 1.00 0.00 N ATOM 0 H LYS A 11 77.637 -2.439 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 11 79.632 -4.380 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.745 -1.849 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.564 -2.023 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.081 -3.598 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.253 -3.485 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.166 -0.889 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.388 -1.297 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.531 -1.507 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.507 -3.074 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.432 -1.777 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.405 -2.047 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.429 -0.529 -5.717 1.00 0.00 H new ATOM 190 N THR A 12 78.468 -5.901 -6.388 1.00 0.00 N ATOM 191 CA THR A 12 77.826 -6.806 -5.441 1.00 0.00 C ATOM 192 C THR A 12 78.499 -6.721 -4.073 1.00 0.00 C ATOM 193 O THR A 12 79.658 -7.107 -3.920 1.00 0.00 O ATOM 194 CB THR A 12 77.902 -8.245 -5.959 1.00 0.00 C ATOM 195 OG1 THR A 12 77.758 -8.243 -7.374 1.00 0.00 O ATOM 196 CG2 THR A 12 76.782 -9.075 -5.330 1.00 0.00 C ATOM 0 H THR A 12 79.234 -6.314 -6.920 1.00 0.00 H new ATOM 0 HA THR A 12 76.782 -6.510 -5.338 1.00 0.00 H new ATOM 0 HB THR A 12 78.865 -8.680 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.808 -9.163 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 76.837 -10.099 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 12 76.893 -9.074 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.817 -8.645 -5.596 1.00 0.00 H new ATOM 204 N ILE A 13 77.768 -6.221 -3.080 1.00 0.00 N ATOM 205 CA ILE A 13 78.317 -6.100 -1.734 1.00 0.00 C ATOM 206 C ILE A 13 77.937 -7.315 -0.893 1.00 0.00 C ATOM 207 O ILE A 13 76.757 -7.610 -0.709 1.00 0.00 O ATOM 208 CB ILE A 13 77.798 -4.831 -1.045 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.143 -3.908 -2.080 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.962 -4.100 -0.368 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.919 -2.524 -1.465 1.00 0.00 C ATOM 0 H ILE A 13 76.806 -5.897 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 13 79.402 -6.041 -1.821 1.00 0.00 H new ATOM 0 HB ILE A 13 77.059 -5.109 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.777 -3.827 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.193 -4.329 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.591 -3.199 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.419 -4.754 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.705 -3.827 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.454 -1.869 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.267 -2.613 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.876 -2.103 -1.159 1.00 0.00 H new ATOM 223 N THR A 14 78.945 -8.008 -0.377 1.00 0.00 N ATOM 224 CA THR A 14 78.707 -9.181 0.454 1.00 0.00 C ATOM 225 C THR A 14 78.858 -8.810 1.925 1.00 0.00 C ATOM 226 O THR A 14 79.860 -8.210 2.317 1.00 0.00 O ATOM 227 CB THR A 14 79.710 -10.281 0.095 1.00 0.00 C ATOM 228 OG1 THR A 14 79.710 -10.476 -1.310 1.00 0.00 O ATOM 229 CG2 THR A 14 79.329 -11.588 0.794 1.00 0.00 C ATOM 0 H THR A 14 79.929 -7.780 -0.518 1.00 0.00 H new ATOM 0 HA THR A 14 77.695 -9.545 0.277 1.00 0.00 H new ATOM 0 HB THR A 14 80.705 -9.980 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.904 -10.967 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.048 -12.364 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.334 -11.438 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.333 -11.894 0.475 1.00 0.00 H new ATOM 237 N LEU A 15 77.865 -9.158 2.735 1.00 0.00 N ATOM 238 CA LEU A 15 77.914 -8.832 4.157 1.00 0.00 C ATOM 239 C LEU A 15 77.332 -9.964 4.998 1.00 0.00 C ATOM 240 O LEU A 15 76.492 -10.733 4.532 1.00 0.00 O ATOM 241 CB LEU A 15 77.117 -7.550 4.455 1.00 0.00 C ATOM 242 CG LEU A 15 77.126 -6.586 3.258 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.118 -5.465 3.514 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.520 -5.977 3.091 1.00 0.00 C ATOM 0 H LEU A 15 77.027 -9.659 2.438 1.00 0.00 H new ATOM 0 HA LEU A 15 78.963 -8.683 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.089 -7.810 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.541 -7.052 5.327 1.00 0.00 H new ATOM 0 HG LEU A 15 76.860 -7.131 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.118 -4.776 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.122 -5.892 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.395 -4.927 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.520 -5.295 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.789 -5.430 3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.246 -6.772 2.918 1.00 0.00 H new ATOM 256 N GLU A 16 77.765 -10.035 6.254 1.00 0.00 N ATOM 257 CA GLU A 16 77.261 -11.048 7.172 1.00 0.00 C ATOM 258 C GLU A 16 76.117 -10.447 7.976 1.00 0.00 C ATOM 259 O GLU A 16 76.233 -9.331 8.481 1.00 0.00 O ATOM 260 CB GLU A 16 78.375 -11.512 8.115 1.00 0.00 C ATOM 261 CG GLU A 16 77.756 -12.132 9.369 1.00 0.00 C ATOM 262 CD GLU A 16 78.756 -13.077 10.028 1.00 0.00 C ATOM 263 OE1 GLU A 16 79.547 -12.607 10.830 1.00 0.00 O ATOM 264 OE2 GLU A 16 78.713 -14.258 9.724 1.00 0.00 O ATOM 0 H GLU A 16 78.460 -9.406 6.656 1.00 0.00 H new ATOM 0 HA GLU A 16 76.908 -11.912 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.012 -12.240 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 79.009 -10.669 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.468 -11.348 10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 16 76.848 -12.675 9.107 1.00 0.00 H new ATOM 271 N VAL A 17 75.003 -11.164 8.064 1.00 0.00 N ATOM 272 CA VAL A 17 73.846 -10.640 8.779 1.00 0.00 C ATOM 273 C VAL A 17 73.122 -11.718 9.587 1.00 0.00 C ATOM 274 O VAL A 17 73.101 -12.890 9.210 1.00 0.00 O ATOM 275 CB VAL A 17 72.875 -10.033 7.768 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.628 -9.105 6.816 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.212 -11.152 6.962 1.00 0.00 C ATOM 0 H VAL A 17 74.877 -12.091 7.658 1.00 0.00 H new ATOM 0 HA VAL A 17 74.202 -9.888 9.483 1.00 0.00 H new ATOM 0 HB VAL A 17 72.115 -9.463 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.929 -8.676 6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.100 -8.305 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.392 -9.672 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.519 -10.719 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.976 -11.722 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.668 -11.813 7.637 1.00 0.00 H new ATOM 287 N GLU A 18 72.506 -11.291 10.690 1.00 0.00 N ATOM 288 CA GLU A 18 71.745 -12.194 11.551 1.00 0.00 C ATOM 289 C GLU A 18 70.251 -11.908 11.381 1.00 0.00 C ATOM 290 O GLU A 18 69.869 -10.760 11.227 1.00 0.00 O ATOM 291 CB GLU A 18 72.133 -11.974 13.013 1.00 0.00 C ATOM 292 CG GLU A 18 73.365 -12.812 13.357 1.00 0.00 C ATOM 293 CD GLU A 18 74.513 -12.476 12.411 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.719 -13.228 11.473 1.00 0.00 O ATOM 295 OE2 GLU A 18 75.184 -11.485 12.651 1.00 0.00 O ATOM 0 H GLU A 18 72.520 -10.322 11.008 1.00 0.00 H new ATOM 0 HA GLU A 18 71.964 -13.225 11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.340 -10.918 13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.303 -12.248 13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.666 -12.623 14.387 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.124 -13.873 13.285 1.00 0.00 H new ATOM 302 N PRO A 19 69.403 -12.903 11.399 1.00 0.00 N ATOM 303 CA PRO A 19 67.935 -12.711 11.221 1.00 0.00 C ATOM 304 C PRO A 19 67.402 -11.381 11.777 1.00 0.00 C ATOM 305 O PRO A 19 66.515 -10.786 11.179 1.00 0.00 O ATOM 306 CB PRO A 19 67.348 -13.900 11.975 1.00 0.00 C ATOM 307 CG PRO A 19 68.364 -14.993 11.846 1.00 0.00 C ATOM 308 CD PRO A 19 69.725 -14.326 11.600 1.00 0.00 C ATOM 0 HA PRO A 19 67.662 -12.665 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.168 -13.652 13.021 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.391 -14.201 11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.392 -15.600 12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.109 -15.660 11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.395 -14.466 12.448 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.223 -14.748 10.727 1.00 0.00 H new ATOM 316 N SER A 20 67.923 -10.917 12.914 1.00 0.00 N ATOM 317 CA SER A 20 67.432 -9.657 13.499 1.00 0.00 C ATOM 318 C SER A 20 68.035 -8.448 12.780 1.00 0.00 C ATOM 319 O SER A 20 67.931 -7.306 13.227 1.00 0.00 O ATOM 320 CB SER A 20 67.769 -9.597 14.988 1.00 0.00 C ATOM 321 OG SER A 20 69.163 -9.816 15.164 1.00 0.00 O ATOM 0 H SER A 20 68.666 -11.377 13.441 1.00 0.00 H new ATOM 0 HA SER A 20 66.349 -9.627 13.376 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.487 -8.627 15.397 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.199 -10.350 15.532 1.00 0.00 H new ATOM 0 HG SER A 20 69.382 -9.776 16.118 1.00 0.00 H new ATOM 327 N ASP A 21 68.625 -8.743 11.643 1.00 0.00 N ATOM 328 CA ASP A 21 69.236 -7.763 10.752 1.00 0.00 C ATOM 329 C ASP A 21 68.166 -7.123 9.906 1.00 0.00 C ATOM 330 O ASP A 21 68.233 -7.130 8.677 1.00 0.00 O ATOM 331 CB ASP A 21 70.301 -8.373 9.871 1.00 0.00 C ATOM 332 CG ASP A 21 71.600 -8.537 10.651 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.575 -9.199 11.676 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.603 -8.003 10.209 1.00 0.00 O ATOM 0 H ASP A 21 68.699 -9.699 11.296 1.00 0.00 H new ATOM 0 HA ASP A 21 69.726 -7.010 11.369 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.966 -9.342 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.469 -7.740 9.000 1.00 0.00 H new ATOM 339 N THR A 22 67.115 -6.701 10.565 1.00 0.00 N ATOM 340 CA THR A 22 65.947 -6.207 9.860 1.00 0.00 C ATOM 341 C THR A 22 66.267 -4.956 9.067 1.00 0.00 C ATOM 342 O THR A 22 67.111 -4.154 9.444 1.00 0.00 O ATOM 343 CB THR A 22 64.885 -5.802 10.886 1.00 0.00 C ATOM 344 OG1 THR A 22 64.965 -4.400 11.105 1.00 0.00 O ATOM 345 CG2 THR A 22 65.138 -6.529 12.202 1.00 0.00 C ATOM 0 H THR A 22 67.039 -6.687 11.582 1.00 0.00 H new ATOM 0 HA THR A 22 65.606 -6.998 9.192 1.00 0.00 H new ATOM 0 HB THR A 22 63.896 -6.067 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.287 -4.132 11.760 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.380 -6.238 12.930 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.090 -7.606 12.038 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.125 -6.264 12.580 1.00 0.00 H new ATOM 353 N ILE A 23 65.583 -4.859 7.929 1.00 0.00 N ATOM 354 CA ILE A 23 65.748 -3.765 6.982 1.00 0.00 C ATOM 355 C ILE A 23 66.277 -2.502 7.656 1.00 0.00 C ATOM 356 O ILE A 23 67.125 -1.803 7.102 1.00 0.00 O ATOM 357 CB ILE A 23 64.402 -3.483 6.320 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.652 -4.807 6.068 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.606 -2.747 4.998 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.562 -5.830 5.368 1.00 0.00 C ATOM 0 H ILE A 23 64.890 -5.548 7.637 1.00 0.00 H new ATOM 0 HA ILE A 23 66.484 -4.061 6.235 1.00 0.00 H new ATOM 0 HB ILE A 23 63.810 -2.855 6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.300 -5.216 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.771 -4.619 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.638 -2.552 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.116 -1.802 5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.210 -3.361 4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.009 -6.755 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.893 -5.428 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.430 -6.034 5.995 1.00 0.00 H new ATOM 372 N GLU A 24 65.782 -2.220 8.855 1.00 0.00 N ATOM 373 CA GLU A 24 66.227 -1.042 9.589 1.00 0.00 C ATOM 374 C GLU A 24 67.706 -1.175 9.955 1.00 0.00 C ATOM 375 O GLU A 24 68.503 -0.270 9.702 1.00 0.00 O ATOM 376 CB GLU A 24 65.382 -0.876 10.854 1.00 0.00 C ATOM 377 CG GLU A 24 65.940 0.272 11.697 1.00 0.00 C ATOM 378 CD GLU A 24 66.889 -0.274 12.758 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.429 -0.544 13.854 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.063 -0.417 12.457 1.00 0.00 O ATOM 0 H GLU A 24 65.080 -2.783 9.335 1.00 0.00 H new ATOM 0 HA GLU A 24 66.104 -0.161 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.345 -0.674 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.388 -1.801 11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.465 0.982 11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.123 0.815 12.173 1.00 0.00 H new ATOM 387 N ASN A 25 68.064 -2.316 10.535 1.00 0.00 N ATOM 388 CA ASN A 25 69.447 -2.583 10.922 1.00 0.00 C ATOM 389 C ASN A 25 70.317 -2.805 9.687 1.00 0.00 C ATOM 390 O ASN A 25 71.433 -2.292 9.601 1.00 0.00 O ATOM 391 CB ASN A 25 69.503 -3.836 11.803 1.00 0.00 C ATOM 392 CG ASN A 25 70.120 -3.500 13.156 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.177 -2.872 13.221 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.520 -3.887 14.249 1.00 0.00 N ATOM 0 H ASN A 25 67.415 -3.073 10.748 1.00 0.00 H new ATOM 0 HA ASN A 25 69.823 -1.721 11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.499 -4.237 11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.090 -4.611 11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 25 69.927 -3.669 15.159 1.00 0.00 H new ATOM 0 HD22 ASN A 25 68.644 -4.407 14.193 1.00 0.00 H new ATOM 401 N ALA A 26 69.801 -3.581 8.737 1.00 0.00 N ATOM 402 CA ALA A 26 70.539 -3.877 7.513 1.00 0.00 C ATOM 403 C ALA A 26 70.883 -2.594 6.763 1.00 0.00 C ATOM 404 O ALA A 26 71.981 -2.454 6.226 1.00 0.00 O ATOM 405 CB ALA A 26 69.710 -4.790 6.610 1.00 0.00 C ATOM 0 H ALA A 26 68.879 -4.014 8.791 1.00 0.00 H new ATOM 0 HA ALA A 26 71.466 -4.380 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.269 -5.005 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.496 -5.722 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.774 -4.295 6.353 1.00 0.00 H new ATOM 411 N LYS A 27 69.938 -1.661 6.733 1.00 0.00 N ATOM 412 CA LYS A 27 70.157 -0.394 6.047 1.00 0.00 C ATOM 413 C LYS A 27 71.340 0.342 6.666 1.00 0.00 C ATOM 414 O LYS A 27 72.068 1.060 5.980 1.00 0.00 O ATOM 415 CB LYS A 27 68.902 0.477 6.149 1.00 0.00 C ATOM 416 CG LYS A 27 67.970 0.179 4.972 1.00 0.00 C ATOM 417 CD LYS A 27 66.555 0.651 5.312 1.00 0.00 C ATOM 418 CE LYS A 27 65.795 0.964 4.021 1.00 0.00 C ATOM 419 NZ LYS A 27 66.101 2.357 3.590 1.00 0.00 N ATOM 0 H LYS A 27 69.022 -1.756 7.171 1.00 0.00 H new ATOM 0 HA LYS A 27 70.373 -0.597 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.388 0.283 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.178 1.531 6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.327 0.683 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.967 -0.890 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.030 -0.119 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.599 1.538 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.079 0.259 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.723 0.848 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 66.293 2.370 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.288 2.971 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.936 2.704 4.104 1.00 0.00 H new ATOM 433 N ALA A 28 71.526 0.154 7.968 1.00 0.00 N ATOM 434 CA ALA A 28 72.624 0.800 8.677 1.00 0.00 C ATOM 435 C ALA A 28 73.962 0.204 8.252 1.00 0.00 C ATOM 436 O ALA A 28 74.962 0.913 8.145 1.00 0.00 O ATOM 437 CB ALA A 28 72.442 0.626 10.186 1.00 0.00 C ATOM 0 H ALA A 28 70.934 -0.437 8.551 1.00 0.00 H new ATOM 0 HA ALA A 28 72.618 1.861 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.266 1.111 10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.499 1.079 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.431 -0.436 10.431 1.00 0.00 H new ATOM 443 N LYS A 29 73.972 -1.105 8.014 1.00 0.00 N ATOM 444 CA LYS A 29 75.196 -1.787 7.604 1.00 0.00 C ATOM 445 C LYS A 29 75.694 -1.249 6.267 1.00 0.00 C ATOM 446 O LYS A 29 76.889 -1.015 6.088 1.00 0.00 O ATOM 447 CB LYS A 29 74.938 -3.291 7.484 1.00 0.00 C ATOM 448 CG LYS A 29 75.355 -3.985 8.782 1.00 0.00 C ATOM 449 CD LYS A 29 74.750 -5.389 8.828 1.00 0.00 C ATOM 450 CE LYS A 29 75.589 -6.278 9.749 1.00 0.00 C ATOM 451 NZ LYS A 29 75.682 -5.647 11.096 1.00 0.00 N ATOM 0 H LYS A 29 73.155 -1.710 8.097 1.00 0.00 H new ATOM 0 HA LYS A 29 75.959 -1.605 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.882 -3.475 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.498 -3.701 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.442 -4.044 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.019 -3.405 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.722 -5.342 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.717 -5.815 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.137 -7.267 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.586 -6.416 9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.958 -6.364 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.395 -4.890 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.758 -5.246 11.356 1.00 0.00 H new ATOM 465 N ILE A 30 74.772 -1.052 5.330 1.00 0.00 N ATOM 466 CA ILE A 30 75.133 -0.540 4.013 1.00 0.00 C ATOM 467 C ILE A 30 75.572 0.916 4.113 1.00 0.00 C ATOM 468 O ILE A 30 76.491 1.347 3.417 1.00 0.00 O ATOM 469 CB ILE A 30 73.944 -0.662 3.061 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.943 -2.063 2.449 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.057 0.379 1.944 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.521 -2.440 2.045 1.00 0.00 C ATOM 0 H ILE A 30 73.777 -1.237 5.456 1.00 0.00 H new ATOM 0 HA ILE A 30 75.963 -1.130 3.624 1.00 0.00 H new ATOM 0 HB ILE A 30 73.019 -0.492 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.599 -2.092 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.332 -2.785 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.205 0.284 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.067 1.379 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.980 0.216 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.519 -3.439 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.877 -2.427 2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.149 -1.724 1.313 1.00 0.00 H new ATOM 484 N GLN A 31 74.909 1.668 4.985 1.00 0.00 N ATOM 485 CA GLN A 31 75.240 3.074 5.169 1.00 0.00 C ATOM 486 C GLN A 31 76.707 3.230 5.557 1.00 0.00 C ATOM 487 O GLN A 31 77.413 4.080 5.023 1.00 0.00 O ATOM 488 CB GLN A 31 74.354 3.681 6.258 1.00 0.00 C ATOM 489 CG GLN A 31 74.955 5.008 6.724 1.00 0.00 C ATOM 490 CD GLN A 31 73.885 5.850 7.413 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.044 5.315 8.136 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.864 7.142 7.228 1.00 0.00 N ATOM 0 H GLN A 31 74.145 1.330 5.571 1.00 0.00 H new ATOM 0 HA GLN A 31 75.066 3.596 4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.346 3.841 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.270 2.993 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.781 4.822 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.364 5.551 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.562 7.583 6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.150 7.711 7.683 1.00 0.00 H new ATOM 501 N ASP A 32 77.158 2.404 6.491 1.00 0.00 N ATOM 502 CA ASP A 32 78.543 2.465 6.941 1.00 0.00 C ATOM 503 C ASP A 32 79.497 2.081 5.811 1.00 0.00 C ATOM 504 O ASP A 32 80.698 2.346 5.887 1.00 0.00 O ATOM 505 CB ASP A 32 78.747 1.522 8.127 1.00 0.00 C ATOM 506 CG ASP A 32 80.039 0.732 7.954 1.00 0.00 C ATOM 507 OD1 ASP A 32 81.097 1.334 8.048 1.00 0.00 O ATOM 508 OD2 ASP A 32 79.954 -0.465 7.734 1.00 0.00 O ATOM 0 H ASP A 32 76.592 1.690 6.949 1.00 0.00 H new ATOM 0 HA ASP A 32 78.759 3.488 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.783 2.094 9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.902 0.838 8.207 1.00 0.00 H new ATOM 513 N LYS A 33 78.961 1.444 4.774 1.00 0.00 N ATOM 514 CA LYS A 33 79.785 1.019 3.645 1.00 0.00 C ATOM 515 C LYS A 33 79.738 2.025 2.497 1.00 0.00 C ATOM 516 O LYS A 33 80.764 2.318 1.883 1.00 0.00 O ATOM 517 CB LYS A 33 79.305 -0.344 3.140 1.00 0.00 C ATOM 518 CG LYS A 33 79.675 -1.430 4.154 1.00 0.00 C ATOM 519 CD LYS A 33 80.822 -2.278 3.599 1.00 0.00 C ATOM 520 CE LYS A 33 81.185 -3.372 4.607 1.00 0.00 C ATOM 521 NZ LYS A 33 82.649 -3.641 4.542 1.00 0.00 N ATOM 0 H LYS A 33 77.971 1.212 4.691 1.00 0.00 H new ATOM 0 HA LYS A 33 80.815 0.952 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.226 -0.327 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.759 -0.565 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.970 -0.974 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.810 -2.060 4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.530 -2.726 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.690 -1.649 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.906 -3.061 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.627 -4.282 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.896 -4.384 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.902 -3.955 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 83.172 -2.772 4.771 1.00 0.00 H new ATOM 535 N GLU A 34 78.545 2.537 2.195 1.00 0.00 N ATOM 536 CA GLU A 34 78.392 3.489 1.096 1.00 0.00 C ATOM 537 C GLU A 34 78.215 4.918 1.605 1.00 0.00 C ATOM 538 O GLU A 34 78.502 5.877 0.888 1.00 0.00 O ATOM 539 CB GLU A 34 77.183 3.100 0.241 1.00 0.00 C ATOM 540 CG GLU A 34 77.380 1.689 -0.320 1.00 0.00 C ATOM 541 CD GLU A 34 76.589 1.523 -1.614 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.615 2.434 -2.424 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.970 0.484 -1.777 1.00 0.00 O ATOM 0 H GLU A 34 77.681 2.312 2.689 1.00 0.00 H new ATOM 0 HA GLU A 34 79.302 3.454 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.274 3.140 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.058 3.812 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.439 1.508 -0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.054 0.950 0.412 1.00 0.00 H new ATOM 550 N GLY A 35 77.743 5.063 2.838 1.00 0.00 N ATOM 551 CA GLY A 35 77.538 6.391 3.408 1.00 0.00 C ATOM 552 C GLY A 35 76.175 6.950 3.012 1.00 0.00 C ATOM 553 O GLY A 35 75.917 8.145 3.158 1.00 0.00 O ATOM 0 H GLY A 35 77.498 4.289 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.613 6.340 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.325 7.063 3.065 1.00 0.00 H new ATOM 557 N ILE A 36 75.307 6.079 2.507 1.00 0.00 N ATOM 558 CA ILE A 36 73.975 6.497 2.090 1.00 0.00 C ATOM 559 C ILE A 36 73.005 6.435 3.281 1.00 0.00 C ATOM 560 O ILE A 36 72.986 5.437 4.001 1.00 0.00 O ATOM 561 CB ILE A 36 73.471 5.573 0.973 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.509 5.509 -0.152 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.154 6.113 0.407 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.125 4.407 -1.140 1.00 0.00 C ATOM 0 H ILE A 36 75.501 5.086 2.378 1.00 0.00 H new ATOM 0 HA ILE A 36 74.025 7.522 1.723 1.00 0.00 H new ATOM 0 HB ILE A 36 73.311 4.576 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.564 6.469 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.498 5.312 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.801 5.453 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.408 6.158 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.314 7.112 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.864 4.362 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.093 3.449 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.144 4.624 -1.564 1.00 0.00 H new ATOM 576 N PRO A 37 72.202 7.457 3.513 1.00 0.00 N ATOM 577 CA PRO A 37 71.236 7.453 4.653 1.00 0.00 C ATOM 578 C PRO A 37 70.042 6.520 4.388 1.00 0.00 C ATOM 579 O PRO A 37 69.528 6.485 3.271 1.00 0.00 O ATOM 580 CB PRO A 37 70.774 8.909 4.742 1.00 0.00 C ATOM 581 CG PRO A 37 70.943 9.460 3.367 1.00 0.00 C ATOM 582 CD PRO A 37 72.117 8.711 2.739 1.00 0.00 C ATOM 0 HA PRO A 37 71.689 7.088 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.735 8.973 5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.369 9.467 5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.036 9.321 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.140 10.532 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.944 8.515 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.040 9.286 2.810 1.00 0.00 H new ATOM 590 N PRO A 38 69.587 5.770 5.372 1.00 0.00 N ATOM 591 CA PRO A 38 68.432 4.844 5.192 1.00 0.00 C ATOM 592 C PRO A 38 67.302 5.467 4.370 1.00 0.00 C ATOM 593 O PRO A 38 66.472 4.757 3.804 1.00 0.00 O ATOM 594 CB PRO A 38 67.962 4.568 6.620 1.00 0.00 C ATOM 595 CG PRO A 38 69.163 4.760 7.486 1.00 0.00 C ATOM 596 CD PRO A 38 70.109 5.714 6.751 1.00 0.00 C ATOM 0 HA PRO A 38 68.720 3.947 4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.160 5.249 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.570 3.555 6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.877 5.173 8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.654 3.806 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.114 6.701 7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.135 5.348 6.771 1.00 0.00 H new ATOM 604 N ASP A 39 67.270 6.794 4.323 1.00 0.00 N ATOM 605 CA ASP A 39 66.226 7.500 3.584 1.00 0.00 C ATOM 606 C ASP A 39 66.423 7.363 2.075 1.00 0.00 C ATOM 607 O ASP A 39 65.453 7.367 1.315 1.00 0.00 O ATOM 608 CB ASP A 39 66.233 8.982 3.965 1.00 0.00 C ATOM 609 CG ASP A 39 65.284 9.223 5.134 1.00 0.00 C ATOM 610 OD1 ASP A 39 65.668 8.929 6.254 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.184 9.694 4.891 1.00 0.00 O ATOM 0 H ASP A 39 67.949 7.400 4.784 1.00 0.00 H new ATOM 0 HA ASP A 39 65.267 7.053 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.242 9.292 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.932 9.587 3.110 1.00 0.00 H new ATOM 616 N GLN A 40 67.674 7.248 1.646 1.00 0.00 N ATOM 617 CA GLN A 40 67.973 7.119 0.222 1.00 0.00 C ATOM 618 C GLN A 40 68.285 5.670 -0.138 1.00 0.00 C ATOM 619 O GLN A 40 68.739 5.382 -1.247 1.00 0.00 O ATOM 620 CB GLN A 40 69.166 8.002 -0.142 1.00 0.00 C ATOM 621 CG GLN A 40 68.679 9.419 -0.449 1.00 0.00 C ATOM 622 CD GLN A 40 69.813 10.417 -0.239 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.656 11.389 0.501 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.952 10.235 -0.847 1.00 0.00 N ATOM 0 H GLN A 40 68.492 7.241 2.256 1.00 0.00 H new ATOM 0 HA GLN A 40 67.096 7.438 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.881 8.022 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.686 7.590 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.320 9.474 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.837 9.671 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.080 9.429 -1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.715 10.898 -0.710 1.00 0.00 H new ATOM 633 N GLN A 41 68.044 4.763 0.802 1.00 0.00 N ATOM 634 CA GLN A 41 68.307 3.346 0.571 1.00 0.00 C ATOM 635 C GLN A 41 67.003 2.582 0.356 1.00 0.00 C ATOM 636 O GLN A 41 66.094 2.646 1.182 1.00 0.00 O ATOM 637 CB GLN A 41 69.052 2.754 1.768 1.00 0.00 C ATOM 638 CG GLN A 41 70.401 3.456 1.931 1.00 0.00 C ATOM 639 CD GLN A 41 71.315 2.628 2.827 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.000 1.482 3.146 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.437 3.141 3.251 1.00 0.00 N ATOM 0 H GLN A 41 67.669 4.981 1.725 1.00 0.00 H new ATOM 0 HA GLN A 41 68.920 3.253 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.457 2.872 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.203 1.684 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.866 3.599 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.255 4.446 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.696 4.091 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.055 2.592 3.848 1.00 0.00 H new ATOM 650 N ARG A 42 66.929 1.856 -0.755 1.00 0.00 N ATOM 651 CA ARG A 42 65.738 1.074 -1.072 1.00 0.00 C ATOM 652 C ARG A 42 66.126 -0.343 -1.477 1.00 0.00 C ATOM 653 O ARG A 42 66.706 -0.558 -2.542 1.00 0.00 O ATOM 654 CB ARG A 42 64.961 1.733 -2.209 1.00 0.00 C ATOM 655 CG ARG A 42 63.625 2.253 -1.677 1.00 0.00 C ATOM 656 CD ARG A 42 62.841 2.905 -2.813 1.00 0.00 C ATOM 657 NE ARG A 42 61.450 2.471 -2.784 1.00 0.00 N ATOM 658 CZ ARG A 42 60.562 2.952 -3.649 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.321 2.552 -3.599 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.933 3.821 -4.548 1.00 0.00 N ATOM 0 H ARG A 42 67.675 1.792 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 42 65.109 1.032 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.540 2.553 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.791 1.015 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.049 1.433 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.796 2.975 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.892 3.990 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.291 2.643 -3.771 1.00 0.00 H new ATOM 0 HE ARG A 42 61.153 1.787 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.033 1.871 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.639 2.921 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.904 4.131 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.252 4.190 -5.212 1.00 0.00 H new ATOM 674 N LEU A 43 65.807 -1.307 -0.622 1.00 0.00 N ATOM 675 CA LEU A 43 66.130 -2.702 -0.903 1.00 0.00 C ATOM 676 C LEU A 43 64.940 -3.409 -1.544 1.00 0.00 C ATOM 677 O LEU A 43 63.855 -3.463 -0.965 1.00 0.00 O ATOM 678 CB LEU A 43 66.515 -3.420 0.392 1.00 0.00 C ATOM 679 CG LEU A 43 67.437 -2.526 1.221 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.867 -3.269 2.486 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.675 -2.169 0.397 1.00 0.00 C ATOM 0 H LEU A 43 65.329 -1.151 0.265 1.00 0.00 H new ATOM 0 HA LEU A 43 66.970 -2.728 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.620 -3.665 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.015 -4.361 0.163 1.00 0.00 H new ATOM 0 HG LEU A 43 66.906 -1.615 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.524 -2.631 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.986 -3.526 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.398 -4.180 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.333 -1.531 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.204 -3.081 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.371 -1.640 -0.506 1.00 0.00 H new ATOM 693 N ILE A 44 65.154 -3.952 -2.739 1.00 0.00 N ATOM 694 CA ILE A 44 64.098 -4.661 -3.458 1.00 0.00 C ATOM 695 C ILE A 44 64.452 -6.140 -3.591 1.00 0.00 C ATOM 696 O ILE A 44 65.620 -6.494 -3.761 1.00 0.00 O ATOM 697 CB ILE A 44 63.906 -4.048 -4.850 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.972 -2.836 -4.756 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.286 -5.084 -5.792 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.582 -1.781 -3.832 1.00 0.00 C ATOM 0 H ILE A 44 66.047 -3.915 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 44 63.169 -4.567 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 44 64.876 -3.736 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.809 -2.413 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.998 -3.145 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.152 -4.643 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 44 63.946 -5.948 -5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.319 -5.399 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.914 -0.922 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.722 -2.205 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.546 -1.463 -4.230 1.00 0.00 H new ATOM 712 N PHE A 45 63.441 -6.998 -3.514 1.00 0.00 N ATOM 713 CA PHE A 45 63.662 -8.435 -3.630 1.00 0.00 C ATOM 714 C PHE A 45 62.428 -9.124 -4.199 1.00 0.00 C ATOM 715 O PHE A 45 61.300 -8.819 -3.810 1.00 0.00 O ATOM 716 CB PHE A 45 63.991 -9.022 -2.256 1.00 0.00 C ATOM 717 CG PHE A 45 64.236 -10.507 -2.387 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.209 -11.414 -2.097 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.489 -10.977 -2.801 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.435 -12.790 -2.220 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.715 -12.353 -2.923 1.00 0.00 C ATOM 722 CZ PHE A 45 64.688 -13.260 -2.632 1.00 0.00 C ATOM 0 H PHE A 45 62.468 -6.727 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 45 64.499 -8.603 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.872 -8.533 -1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.169 -8.838 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.243 -11.052 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.281 -10.278 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.643 -13.489 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.681 -12.715 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.863 -14.322 -2.725 1.00 0.00 H new ATOM 732 N ALA A 46 62.648 -10.053 -5.123 1.00 0.00 N ATOM 733 CA ALA A 46 61.544 -10.779 -5.742 1.00 0.00 C ATOM 734 C ALA A 46 60.518 -9.808 -6.314 1.00 0.00 C ATOM 735 O ALA A 46 59.336 -10.133 -6.427 1.00 0.00 O ATOM 736 CB ALA A 46 60.871 -11.685 -4.710 1.00 0.00 C ATOM 0 H ALA A 46 63.574 -10.320 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 46 61.944 -11.387 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.048 -12.223 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.598 -12.399 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.487 -11.079 -3.890 1.00 0.00 H new ATOM 742 N GLY A 47 60.978 -8.614 -6.675 1.00 0.00 N ATOM 743 CA GLY A 47 60.090 -7.603 -7.235 1.00 0.00 C ATOM 744 C GLY A 47 59.270 -6.931 -6.138 1.00 0.00 C ATOM 745 O GLY A 47 58.511 -5.997 -6.401 1.00 0.00 O ATOM 0 H GLY A 47 61.953 -8.325 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.676 -6.854 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.422 -8.063 -7.964 1.00 0.00 H new ATOM 749 N LYS A 48 59.428 -7.412 -4.910 1.00 0.00 N ATOM 750 CA LYS A 48 58.697 -6.850 -3.780 1.00 0.00 C ATOM 751 C LYS A 48 59.597 -5.930 -2.961 1.00 0.00 C ATOM 752 O LYS A 48 60.762 -6.242 -2.716 1.00 0.00 O ATOM 753 CB LYS A 48 58.169 -7.976 -2.888 1.00 0.00 C ATOM 754 CG LYS A 48 56.640 -7.978 -2.917 1.00 0.00 C ATOM 755 CD LYS A 48 56.113 -9.151 -2.088 1.00 0.00 C ATOM 756 CE LYS A 48 55.668 -10.279 -3.020 1.00 0.00 C ATOM 757 NZ LYS A 48 55.250 -11.459 -2.212 1.00 0.00 N ATOM 0 H LYS A 48 60.051 -8.184 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 48 57.860 -6.269 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.551 -8.937 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.523 -7.841 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.257 -7.038 -2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.286 -8.058 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.889 -9.509 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.277 -8.826 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 48 54.841 -9.943 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 48 56.483 -10.554 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 54.948 -12.225 -2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.050 -11.785 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.460 -11.192 -1.591 1.00 0.00 H new ATOM 771 N GLN A 49 59.046 -4.796 -2.540 1.00 0.00 N ATOM 772 CA GLN A 49 59.808 -3.837 -1.747 1.00 0.00 C ATOM 773 C GLN A 49 59.759 -4.210 -0.269 1.00 0.00 C ATOM 774 O GLN A 49 58.713 -4.603 0.248 1.00 0.00 O ATOM 775 CB GLN A 49 59.238 -2.431 -1.940 1.00 0.00 C ATOM 776 CG GLN A 49 60.275 -1.395 -1.504 1.00 0.00 C ATOM 777 CD GLN A 49 59.576 -0.160 -0.946 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.546 0.886 -1.594 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.008 -0.218 0.228 1.00 0.00 N ATOM 0 H GLN A 49 58.083 -4.520 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 49 60.845 -3.857 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.971 -2.276 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.325 -2.314 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.933 -1.823 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.902 -1.117 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.033 -1.085 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.539 0.604 0.609 1.00 0.00 H new ATOM 788 N LEU A 50 60.898 -4.089 0.405 1.00 0.00 N ATOM 789 CA LEU A 50 60.973 -4.419 1.823 1.00 0.00 C ATOM 790 C LEU A 50 60.654 -3.198 2.679 1.00 0.00 C ATOM 791 O LEU A 50 61.262 -2.139 2.519 1.00 0.00 O ATOM 792 CB LEU A 50 62.374 -4.934 2.166 1.00 0.00 C ATOM 793 CG LEU A 50 62.846 -5.904 1.081 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.126 -6.604 1.543 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.760 -6.950 0.822 1.00 0.00 C ATOM 0 H LEU A 50 61.775 -3.767 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 50 60.238 -5.196 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.069 -4.099 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.361 -5.434 3.134 1.00 0.00 H new ATOM 0 HG LEU A 50 63.044 -5.351 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.462 -7.295 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.901 -5.860 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.928 -7.156 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.097 -7.641 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.561 -7.502 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.848 -6.453 0.492 1.00 0.00 H new ATOM 807 N GLU A 51 59.699 -3.355 3.591 1.00 0.00 N ATOM 808 CA GLU A 51 59.307 -2.261 4.474 1.00 0.00 C ATOM 809 C GLU A 51 60.102 -2.316 5.771 1.00 0.00 C ATOM 810 O GLU A 51 60.517 -3.389 6.211 1.00 0.00 O ATOM 811 CB GLU A 51 57.811 -2.351 4.782 1.00 0.00 C ATOM 812 CG GLU A 51 57.010 -2.092 3.505 1.00 0.00 C ATOM 813 CD GLU A 51 55.742 -2.940 3.504 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.412 -3.477 2.459 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.117 -3.038 4.547 1.00 0.00 O ATOM 0 H GLU A 51 59.185 -4.224 3.738 1.00 0.00 H new ATOM 0 HA GLU A 51 59.516 -1.316 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.570 -3.336 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.542 -1.622 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 51 56.751 -1.035 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.617 -2.329 2.631 1.00 0.00 H new ATOM 822 N ASP A 52 60.313 -1.156 6.381 1.00 0.00 N ATOM 823 CA ASP A 52 61.062 -1.089 7.625 1.00 0.00 C ATOM 824 C ASP A 52 60.230 -1.647 8.778 1.00 0.00 C ATOM 825 O ASP A 52 59.189 -1.091 9.128 1.00 0.00 O ATOM 826 CB ASP A 52 61.454 0.359 7.922 1.00 0.00 C ATOM 827 CG ASP A 52 60.827 1.296 6.896 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.572 1.967 6.201 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.610 1.327 6.817 1.00 0.00 O ATOM 0 H ASP A 52 59.978 -0.256 6.036 1.00 0.00 H new ATOM 0 HA ASP A 52 61.965 -1.691 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.126 0.634 8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.539 0.461 7.903 1.00 0.00 H new ATOM 834 N GLY A 53 60.697 -2.746 9.362 1.00 0.00 N ATOM 835 CA GLY A 53 59.987 -3.369 10.473 1.00 0.00 C ATOM 836 C GLY A 53 60.069 -4.891 10.395 1.00 0.00 C ATOM 837 O GLY A 53 60.165 -5.568 11.418 1.00 0.00 O ATOM 0 H GLY A 53 61.557 -3.220 9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.411 -3.027 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.943 -3.057 10.461 1.00 0.00 H new ATOM 841 N ARG A 54 60.036 -5.423 9.176 1.00 0.00 N ATOM 842 CA ARG A 54 60.115 -6.867 8.986 1.00 0.00 C ATOM 843 C ARG A 54 61.566 -7.312 9.045 1.00 0.00 C ATOM 844 O ARG A 54 62.466 -6.530 8.747 1.00 0.00 O ATOM 845 CB ARG A 54 59.517 -7.265 7.636 1.00 0.00 C ATOM 846 CG ARG A 54 58.432 -6.266 7.231 1.00 0.00 C ATOM 847 CD ARG A 54 57.400 -6.158 8.351 1.00 0.00 C ATOM 848 NE ARG A 54 56.069 -5.947 7.795 1.00 0.00 N ATOM 849 CZ ARG A 54 55.377 -6.952 7.267 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.186 -6.738 6.778 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.889 -8.153 7.240 1.00 0.00 N ATOM 0 H ARG A 54 59.956 -4.883 8.315 1.00 0.00 H new ATOM 0 HA ARG A 54 59.548 -7.353 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.299 -7.294 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.095 -8.268 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.876 -5.290 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.951 -6.589 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.410 -7.067 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.659 -5.333 9.015 1.00 0.00 H new ATOM 0 HE ARG A 54 55.662 -5.012 7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.786 -5.800 6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.655 -7.509 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.819 -8.320 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 54 55.359 -8.925 6.835 1.00 0.00 H new ATOM 865 N THR A 55 61.792 -8.563 9.439 1.00 0.00 N ATOM 866 CA THR A 55 63.153 -9.073 9.541 1.00 0.00 C ATOM 867 C THR A 55 63.507 -9.990 8.386 1.00 0.00 C ATOM 868 O THR A 55 62.638 -10.456 7.651 1.00 0.00 O ATOM 869 CB THR A 55 63.344 -9.791 10.874 1.00 0.00 C ATOM 870 OG1 THR A 55 62.543 -10.962 10.910 1.00 0.00 O ATOM 871 CG2 THR A 55 62.939 -8.846 11.997 1.00 0.00 C ATOM 0 H THR A 55 61.063 -9.231 9.689 1.00 0.00 H new ATOM 0 HA THR A 55 63.830 -8.220 9.492 1.00 0.00 H new ATOM 0 HB THR A 55 64.388 -10.082 10.995 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.670 -11.419 11.767 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.070 -9.345 12.957 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.563 -7.953 11.964 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.894 -8.563 11.875 1.00 0.00 H new ATOM 879 N LEU A 56 64.805 -10.230 8.229 1.00 0.00 N ATOM 880 CA LEU A 56 65.284 -11.078 7.154 1.00 0.00 C ATOM 881 C LEU A 56 64.621 -12.448 7.241 1.00 0.00 C ATOM 882 O LEU A 56 64.341 -13.080 6.222 1.00 0.00 O ATOM 883 CB LEU A 56 66.808 -11.249 7.248 1.00 0.00 C ATOM 884 CG LEU A 56 67.524 -9.892 7.136 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.032 -10.128 7.091 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.104 -9.165 5.860 1.00 0.00 C ATOM 0 H LEU A 56 65.536 -9.850 8.830 1.00 0.00 H new ATOM 0 HA LEU A 56 65.033 -10.607 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.066 -11.723 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.153 -11.912 6.455 1.00 0.00 H new ATOM 0 HG LEU A 56 67.255 -9.282 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.548 -9.171 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.348 -10.636 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.278 -10.746 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.621 -8.208 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.363 -9.773 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.027 -8.995 5.876 1.00 0.00 H new ATOM 898 N SER A 57 64.371 -12.899 8.467 1.00 0.00 N ATOM 899 CA SER A 57 63.737 -14.195 8.678 1.00 0.00 C ATOM 900 C SER A 57 62.283 -14.169 8.209 1.00 0.00 C ATOM 901 O SER A 57 61.724 -15.199 7.833 1.00 0.00 O ATOM 902 CB SER A 57 63.790 -14.567 10.160 1.00 0.00 C ATOM 903 OG SER A 57 62.469 -14.794 10.634 1.00 0.00 O ATOM 0 H SER A 57 64.596 -12.391 9.322 1.00 0.00 H new ATOM 0 HA SER A 57 64.279 -14.940 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.398 -15.461 10.301 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.261 -13.767 10.731 1.00 0.00 H new ATOM 0 HG SER A 57 62.499 -15.034 11.584 1.00 0.00 H new ATOM 909 N ASP A 58 61.677 -12.987 8.244 1.00 0.00 N ATOM 910 CA ASP A 58 60.284 -12.836 7.830 1.00 0.00 C ATOM 911 C ASP A 58 60.148 -12.904 6.310 1.00 0.00 C ATOM 912 O ASP A 58 59.116 -13.329 5.793 1.00 0.00 O ATOM 913 CB ASP A 58 59.739 -11.498 8.329 1.00 0.00 C ATOM 914 CG ASP A 58 60.071 -11.314 9.806 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.795 -10.245 10.326 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.597 -12.244 10.395 1.00 0.00 O ATOM 0 H ASP A 58 62.124 -12.124 8.553 1.00 0.00 H new ATOM 0 HA ASP A 58 59.712 -13.656 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.168 -10.682 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.659 -11.459 8.184 1.00 0.00 H new ATOM 921 N TYR A 59 61.188 -12.477 5.600 1.00 0.00 N ATOM 922 CA TYR A 59 61.158 -12.493 4.141 1.00 0.00 C ATOM 923 C TYR A 59 61.787 -13.776 3.603 1.00 0.00 C ATOM 924 O TYR A 59 62.121 -13.867 2.422 1.00 0.00 O ATOM 925 CB TYR A 59 61.913 -11.281 3.588 1.00 0.00 C ATOM 926 CG TYR A 59 60.949 -10.136 3.374 1.00 0.00 C ATOM 927 CD1 TYR A 59 61.024 -8.996 4.182 1.00 0.00 C ATOM 928 CD2 TYR A 59 59.981 -10.218 2.366 1.00 0.00 C ATOM 929 CE1 TYR A 59 60.132 -7.936 3.982 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.088 -9.159 2.166 1.00 0.00 C ATOM 931 CZ TYR A 59 59.163 -8.016 2.973 1.00 0.00 C ATOM 932 OH TYR A 59 58.285 -6.972 2.774 1.00 0.00 O ATOM 0 H TYR A 59 62.053 -12.119 6.005 1.00 0.00 H new ATOM 0 HA TYR A 59 60.117 -12.450 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.699 -10.983 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.399 -11.541 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 59 61.770 -8.934 4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 59 59.923 -11.098 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 59 60.191 -7.056 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 58.341 -9.223 1.389 1.00 0.00 H new ATOM 0 HH TYR A 59 57.680 -7.190 2.035 1.00 0.00 H new ATOM 942 N ASN A 60 61.945 -14.763 4.478 1.00 0.00 N ATOM 943 CA ASN A 60 62.535 -16.035 4.082 1.00 0.00 C ATOM 944 C ASN A 60 63.762 -15.802 3.205 1.00 0.00 C ATOM 945 O ASN A 60 63.918 -16.426 2.155 1.00 0.00 O ATOM 946 CB ASN A 60 61.507 -16.876 3.322 1.00 0.00 C ATOM 947 CG ASN A 60 60.529 -17.511 4.305 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.554 -16.876 4.711 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.731 -18.733 4.716 1.00 0.00 N ATOM 0 H ASN A 60 61.675 -14.707 5.460 1.00 0.00 H new ATOM 0 HA ASN A 60 62.842 -16.570 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.967 -16.251 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 60 62.012 -17.651 2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.081 -19.164 5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 60 61.538 -19.257 4.379 1.00 0.00 H new ATOM 956 N ILE A 61 64.630 -14.901 3.648 1.00 0.00 N ATOM 957 CA ILE A 61 65.845 -14.586 2.907 1.00 0.00 C ATOM 958 C ILE A 61 66.873 -15.703 3.079 1.00 0.00 C ATOM 959 O ILE A 61 67.017 -16.264 4.165 1.00 0.00 O ATOM 960 CB ILE A 61 66.402 -13.249 3.403 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.273 -12.200 3.296 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.627 -12.850 2.570 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.704 -10.962 2.496 1.00 0.00 C ATOM 0 H ILE A 61 64.516 -14.376 4.515 1.00 0.00 H new ATOM 0 HA ILE A 61 65.617 -14.503 1.844 1.00 0.00 H new ATOM 0 HB ILE A 61 66.730 -13.322 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.403 -12.653 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.967 -11.895 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 61 68.017 -11.898 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.397 -13.616 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.339 -12.752 1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.877 -10.254 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 61 66.557 -10.492 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.984 -11.261 1.486 1.00 0.00 H new ATOM 975 N GLN A 62 67.568 -16.037 1.994 1.00 0.00 N ATOM 976 CA GLN A 62 68.561 -17.110 2.031 1.00 0.00 C ATOM 977 C GLN A 62 69.949 -16.577 2.368 1.00 0.00 C ATOM 978 O GLN A 62 70.127 -15.386 2.626 1.00 0.00 O ATOM 979 CB GLN A 62 68.604 -17.822 0.678 1.00 0.00 C ATOM 980 CG GLN A 62 67.233 -18.432 0.380 1.00 0.00 C ATOM 981 CD GLN A 62 67.311 -19.308 -0.866 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.101 -20.250 -0.916 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.527 -19.057 -1.878 1.00 0.00 N ATOM 0 H GLN A 62 67.464 -15.585 1.085 1.00 0.00 H new ATOM 0 HA GLN A 62 68.267 -17.811 2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.879 -17.118 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.366 -18.601 0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.897 -19.025 1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.498 -17.641 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 62 65.873 -18.276 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.568 -19.642 -2.712 1.00 0.00 H new ATOM 992 N LYS A 63 70.929 -17.478 2.370 1.00 0.00 N ATOM 993 CA LYS A 63 72.305 -17.109 2.684 1.00 0.00 C ATOM 994 C LYS A 63 73.033 -16.610 1.445 1.00 0.00 C ATOM 995 O LYS A 63 74.208 -16.246 1.497 1.00 0.00 O ATOM 996 CB LYS A 63 73.048 -18.320 3.244 1.00 0.00 C ATOM 997 CG LYS A 63 72.833 -19.523 2.322 1.00 0.00 C ATOM 998 CD LYS A 63 73.842 -20.620 2.670 1.00 0.00 C ATOM 999 CE LYS A 63 75.106 -20.437 1.828 1.00 0.00 C ATOM 1000 NZ LYS A 63 76.224 -21.212 2.437 1.00 0.00 N ATOM 0 H LYS A 63 70.795 -18.467 2.158 1.00 0.00 H new ATOM 0 HA LYS A 63 72.281 -16.308 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 74.112 -18.099 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.688 -18.549 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.817 -19.901 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 72.951 -19.222 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 63 74.090 -20.578 3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 63 73.407 -21.602 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 63 74.928 -20.775 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 63 75.369 -19.381 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 77.084 -21.088 1.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 76.398 -20.869 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 75.971 -22.220 2.468 1.00 0.00 H new ATOM 1014 N GLU A 64 72.325 -16.610 0.332 1.00 0.00 N ATOM 1015 CA GLU A 64 72.880 -16.167 -0.931 1.00 0.00 C ATOM 1016 C GLU A 64 71.977 -15.115 -1.564 1.00 0.00 C ATOM 1017 O GLU A 64 72.352 -14.464 -2.538 1.00 0.00 O ATOM 1018 CB GLU A 64 73.032 -17.364 -1.870 1.00 0.00 C ATOM 1019 CG GLU A 64 74.483 -17.847 -1.849 1.00 0.00 C ATOM 1020 CD GLU A 64 74.612 -19.162 -2.608 1.00 0.00 C ATOM 1021 OE1 GLU A 64 73.944 -20.110 -2.232 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.388 -19.204 -3.548 1.00 0.00 O ATOM 0 H GLU A 64 71.353 -16.916 0.278 1.00 0.00 H new ATOM 0 HA GLU A 64 73.859 -15.722 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.365 -18.169 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.745 -17.083 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.131 -17.094 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.815 -17.979 -0.819 1.00 0.00 H new ATOM 1029 N SER A 65 70.774 -14.988 -1.008 1.00 0.00 N ATOM 1030 CA SER A 65 69.779 -14.044 -1.515 1.00 0.00 C ATOM 1031 C SER A 65 70.426 -12.795 -2.097 1.00 0.00 C ATOM 1032 O SER A 65 71.231 -12.131 -1.445 1.00 0.00 O ATOM 1033 CB SER A 65 68.825 -13.643 -0.392 1.00 0.00 C ATOM 1034 OG SER A 65 67.484 -13.841 -0.823 1.00 0.00 O ATOM 0 H SER A 65 70.463 -15.530 -0.202 1.00 0.00 H new ATOM 0 HA SER A 65 69.230 -14.543 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.024 -14.237 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.982 -12.599 -0.121 1.00 0.00 H new ATOM 0 HG SER A 65 67.259 -13.177 -1.508 1.00 0.00 H new ATOM 1040 N THR A 66 70.048 -12.478 -3.331 1.00 0.00 N ATOM 1041 CA THR A 66 70.572 -11.300 -4.007 1.00 0.00 C ATOM 1042 C THR A 66 69.561 -10.162 -3.911 1.00 0.00 C ATOM 1043 O THR A 66 68.457 -10.256 -4.447 1.00 0.00 O ATOM 1044 CB THR A 66 70.847 -11.625 -5.477 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.791 -12.682 -5.558 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.403 -10.387 -6.183 1.00 0.00 C ATOM 0 H THR A 66 69.382 -13.020 -3.881 1.00 0.00 H new ATOM 0 HA THR A 66 71.503 -10.996 -3.529 1.00 0.00 H new ATOM 0 HB THR A 66 69.918 -11.928 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.967 -12.892 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.598 -10.622 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.677 -9.576 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.331 -10.080 -5.701 1.00 0.00 H new ATOM 1054 N LEU A 67 69.939 -9.093 -3.216 1.00 0.00 N ATOM 1055 CA LEU A 67 69.046 -7.951 -3.047 1.00 0.00 C ATOM 1056 C LEU A 67 69.460 -6.802 -3.959 1.00 0.00 C ATOM 1057 O LEU A 67 70.647 -6.563 -4.175 1.00 0.00 O ATOM 1058 CB LEU A 67 69.074 -7.479 -1.592 1.00 0.00 C ATOM 1059 CG LEU A 67 68.785 -8.660 -0.663 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.980 -8.887 0.264 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.542 -8.356 0.177 1.00 0.00 C ATOM 0 H LEU A 67 70.848 -8.993 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 67 68.036 -8.264 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.048 -7.049 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.333 -6.694 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 67 68.613 -9.556 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.773 -9.728 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.867 -9.103 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.153 -7.991 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.336 -9.197 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.716 -7.460 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.688 -8.195 -0.481 1.00 0.00 H new ATOM 1073 N HIS A 68 68.471 -6.088 -4.486 1.00 0.00 N ATOM 1074 CA HIS A 68 68.745 -4.961 -5.365 1.00 0.00 C ATOM 1075 C HIS A 68 68.715 -3.661 -4.570 1.00 0.00 C ATOM 1076 O HIS A 68 67.733 -3.361 -3.890 1.00 0.00 O ATOM 1077 CB HIS A 68 67.710 -4.910 -6.491 1.00 0.00 C ATOM 1078 CG HIS A 68 67.904 -6.096 -7.395 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.539 -7.379 -7.016 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.431 -6.213 -8.657 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.849 -8.205 -8.032 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.396 -7.546 -9.057 1.00 0.00 N ATOM 0 H HIS A 68 67.481 -6.269 -4.321 1.00 0.00 H new ATOM 0 HA HIS A 68 69.736 -5.086 -5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.702 -4.915 -6.075 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.816 -3.985 -7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.814 -5.395 -9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.677 -9.271 -8.020 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.719 -7.936 -9.943 1.00 0.00 H new ATOM 1090 N LEU A 69 69.799 -2.900 -4.649 1.00 0.00 N ATOM 1091 CA LEU A 69 69.890 -1.642 -3.920 1.00 0.00 C ATOM 1092 C LEU A 69 69.541 -0.465 -4.826 1.00 0.00 C ATOM 1093 O LEU A 69 70.317 -0.095 -5.707 1.00 0.00 O ATOM 1094 CB LEU A 69 71.309 -1.466 -3.372 1.00 0.00 C ATOM 1095 CG LEU A 69 71.361 -0.252 -2.444 1.00 0.00 C ATOM 1096 CD1 LEU A 69 71.628 -0.714 -1.012 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.484 0.685 -2.893 1.00 0.00 C ATOM 0 H LEU A 69 70.622 -3.130 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 69 69.178 -1.668 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.613 -2.362 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.012 -1.337 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 69 70.408 0.275 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.665 0.152 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.829 -1.382 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.581 -1.242 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.522 1.551 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 73.436 0.156 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 69 72.295 1.016 -3.914 1.00 0.00 H new ATOM 1109 N VAL A 70 68.367 0.118 -4.597 1.00 0.00 N ATOM 1110 CA VAL A 70 67.917 1.254 -5.392 1.00 0.00 C ATOM 1111 C VAL A 70 67.997 2.542 -4.576 1.00 0.00 C ATOM 1112 O VAL A 70 67.768 2.535 -3.367 1.00 0.00 O ATOM 1113 CB VAL A 70 66.476 1.031 -5.852 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.204 1.866 -7.104 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.267 -0.450 -6.172 1.00 0.00 C ATOM 0 H VAL A 70 67.714 -0.177 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 70 68.567 1.345 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 70 65.791 1.332 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.177 1.707 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.353 2.922 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.888 1.566 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.240 -0.610 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.952 -0.751 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.460 -1.046 -5.280 1.00 0.00 H new ATOM 1125 N LEU A 71 68.324 3.641 -5.248 1.00 0.00 N ATOM 1126 CA LEU A 71 68.433 4.935 -4.581 1.00 0.00 C ATOM 1127 C LEU A 71 67.285 5.849 -4.997 1.00 0.00 C ATOM 1128 O LEU A 71 67.086 6.112 -6.182 1.00 0.00 O ATOM 1129 CB LEU A 71 69.767 5.594 -4.935 1.00 0.00 C ATOM 1130 CG LEU A 71 70.905 4.595 -4.717 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.241 5.261 -5.051 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.913 4.145 -3.254 1.00 0.00 C ATOM 0 H LEU A 71 68.517 3.663 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 71 68.383 4.774 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.756 5.927 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.923 6.479 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 71 70.758 3.730 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.051 4.549 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.236 5.584 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.388 6.125 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.723 3.433 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.060 5.010 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.961 3.671 -3.014 1.00 0.00 H new ATOM 1144 N ARG A 72 66.529 6.326 -4.013 1.00 0.00 N ATOM 1145 CA ARG A 72 65.402 7.207 -4.286 1.00 0.00 C ATOM 1146 C ARG A 72 65.841 8.668 -4.265 1.00 0.00 C ATOM 1147 O ARG A 72 66.442 9.130 -3.296 1.00 0.00 O ATOM 1148 CB ARG A 72 64.309 6.985 -3.241 1.00 0.00 C ATOM 1149 CG ARG A 72 63.150 7.947 -3.498 1.00 0.00 C ATOM 1150 CD ARG A 72 63.159 9.051 -2.441 1.00 0.00 C ATOM 1151 NE ARG A 72 62.810 8.503 -1.136 1.00 0.00 N ATOM 1152 CZ ARG A 72 61.562 8.144 -0.851 1.00 0.00 C ATOM 1153 NH1 ARG A 72 61.277 7.653 0.323 1.00 0.00 N ATOM 1154 NH2 ARG A 72 60.623 8.283 -1.747 1.00 0.00 N ATOM 0 H ARG A 72 66.676 6.118 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 72 65.014 6.975 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 72 63.956 5.955 -3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.711 7.143 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 72 63.238 8.382 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 72 62.203 7.408 -3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 72 64.145 9.514 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 72 62.451 9.833 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 72 63.537 8.393 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 72 62.011 7.544 1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 60.320 7.378 0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.847 8.667 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 72 59.665 8.008 -1.529 1.00 0.00 H new ATOM 1168 N LEU A 73 65.533 9.386 -5.341 1.00 0.00 N ATOM 1169 CA LEU A 73 65.895 10.796 -5.443 1.00 0.00 C ATOM 1170 C LEU A 73 64.656 11.675 -5.320 1.00 0.00 C ATOM 1171 O LEU A 73 63.550 11.177 -5.110 1.00 0.00 O ATOM 1172 CB LEU A 73 66.582 11.063 -6.784 1.00 0.00 C ATOM 1173 CG LEU A 73 67.989 10.465 -6.766 1.00 0.00 C ATOM 1174 CD1 LEU A 73 68.329 9.920 -8.155 1.00 0.00 C ATOM 1175 CD2 LEU A 73 68.997 11.549 -6.383 1.00 0.00 C ATOM 0 H LEU A 73 65.036 9.017 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 73 66.580 11.037 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 73 66.000 10.626 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 66.634 12.136 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 73 68.031 9.655 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.332 9.493 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.610 9.148 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.288 10.730 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.001 11.124 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 73 68.955 12.359 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 73 68.755 11.938 -5.394 1.00 0.00 H new ATOM 1187 N ARG A 74 64.850 12.985 -5.453 1.00 0.00 N ATOM 1188 CA ARG A 74 63.744 13.933 -5.357 1.00 0.00 C ATOM 1189 C ARG A 74 63.698 14.828 -6.593 1.00 0.00 C ATOM 1190 O ARG A 74 64.736 15.204 -7.136 1.00 0.00 O ATOM 1191 CB ARG A 74 63.906 14.798 -4.105 1.00 0.00 C ATOM 1192 CG ARG A 74 65.267 15.498 -4.138 1.00 0.00 C ATOM 1193 CD ARG A 74 65.427 16.362 -2.886 1.00 0.00 C ATOM 1194 NE ARG A 74 64.694 17.612 -3.039 1.00 0.00 N ATOM 1195 CZ ARG A 74 65.232 18.652 -3.666 1.00 0.00 C ATOM 1196 NH1 ARG A 74 64.555 19.761 -3.790 1.00 0.00 N ATOM 1197 NH2 ARG A 74 66.438 18.565 -4.157 1.00 0.00 N ATOM 0 H ARG A 74 65.760 13.413 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 74 62.812 13.371 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.107 15.537 -4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.825 14.180 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.067 14.759 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.348 16.116 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.060 15.822 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.483 16.570 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 74 63.751 17.690 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.613 19.829 -3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 74 64.968 20.560 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.967 17.698 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.851 19.363 -4.639 1.00 0.00 H new ATOM 1211 N GLY A 75 62.488 15.163 -7.029 1.00 0.00 N ATOM 1212 CA GLY A 75 62.319 16.014 -8.201 1.00 0.00 C ATOM 1213 C GLY A 75 61.064 16.871 -8.076 1.00 0.00 C ATOM 1214 O GLY A 75 60.147 16.540 -7.325 1.00 0.00 O ATOM 0 H GLY A 75 61.617 14.861 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.192 16.656 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.255 15.397 -9.097 1.00 0.00 H new ATOM 1218 N GLY A 76 61.031 17.973 -8.819 1.00 0.00 N ATOM 1219 CA GLY A 76 59.882 18.871 -8.783 1.00 0.00 C ATOM 1220 C GLY A 76 58.723 18.305 -9.596 1.00 0.00 C ATOM 1221 O GLY A 76 58.909 17.273 -10.218 1.00 0.00 O ATOM 1222 OXT GLY A 76 57.665 18.914 -9.586 1.00 0.00 O ATOM 0 H GLY A 76 61.779 18.264 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.567 19.024 -7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.166 19.847 -9.177 1.00 0.00 H new TER 1226 GLY A 76