USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.0678 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.07 X(o=0.14,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.3 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= -0.119 X(o=-0.12,f=0.26) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.724) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.239 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 1.33 (180deg=0.157) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.705 K(o=-0.7,f=-3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.931 K(o=-0.93,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -1.19 K(o=-1.2,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.932 K(o=0.93,f=-7.1!) USER MOD Single : A 55 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.344 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) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.419 5.138 -3.412 1.00 9.67 N ATOM 2 CA MET A 1 -12.213 5.499 -1.992 1.00 10.38 C ATOM 3 C MET A 1 -10.806 5.834 -1.635 1.00 9.62 C ATOM 4 O MET A 1 -9.960 5.890 -2.527 1.00 9.62 O ATOM 5 CB MET A 1 -12.762 4.389 -1.080 1.00 13.77 C ATOM 6 CG MET A 1 -12.228 2.962 -1.218 1.00 16.29 C ATOM 7 SD MET A 1 -10.481 2.745 -0.764 1.00 17.17 S ATOM 8 CE MET A 1 -10.595 0.953 -0.495 1.00 16.11 C ATOM 0 H1 MET A 1 -13.210 4.467 -3.488 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.637 5.995 -3.960 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.555 4.698 -3.787 1.00 9.67 H new ATOM 0 HA MET A 1 -12.771 6.422 -1.834 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.594 4.701 -0.049 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.841 4.349 -1.229 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.833 2.302 -0.596 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.362 2.639 -2.250 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.620 0.567 -0.198 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.321 0.749 0.292 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.912 0.466 -1.417 1.00 16.11 H new ATOM 20 N GLN A 2 -10.490 6.129 -0.362 1.00 9.27 N ATOM 21 CA GLN A 2 -9.165 6.589 -0.083 1.00 9.07 C ATOM 22 C GLN A 2 -8.566 5.781 1.017 1.00 8.72 C ATOM 23 O GLN A 2 -9.265 5.498 1.988 1.00 8.22 O ATOM 24 CB GLN A 2 -9.109 8.079 0.295 1.00 14.46 C ATOM 25 CG GLN A 2 -9.964 8.454 1.507 1.00 17.01 C ATOM 26 CD GLN A 2 -10.036 9.961 1.708 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.749 10.647 2.688 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.516 10.676 0.656 1.00 19.49 N ATOM 0 H GLN A 2 -11.116 6.055 0.440 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.595 6.467 -1.004 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.073 8.352 0.497 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.433 8.671 -0.561 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.971 8.057 1.378 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.550 7.988 2.401 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.783 10.199 -0.205 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.609 11.689 0.728 1.00 19.49 H new ATOM 37 N ILE A 3 -7.281 5.406 0.890 1.00 5.87 N ATOM 38 CA ILE A 3 -6.531 4.801 1.947 1.00 5.07 C ATOM 39 C ILE A 3 -5.294 5.570 2.261 1.00 4.01 C ATOM 40 O ILE A 3 -4.815 6.360 1.448 1.00 4.61 O ATOM 41 CB ILE A 3 -6.164 3.392 1.586 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.329 3.176 0.312 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.451 2.551 1.618 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.984 1.688 0.258 1.00 10.83 C ATOM 0 H ILE A 3 -6.748 5.527 0.028 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.166 4.801 2.833 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.449 3.058 2.338 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.890 3.475 -0.573 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.424 3.782 0.336 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.217 1.518 1.359 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.883 2.586 2.618 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.166 2.952 0.900 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.389 1.484 -0.633 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.414 1.414 1.146 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.903 1.103 0.222 1.00 10.83 H new ATOM 56 N PHE A 4 -4.788 5.524 3.506 1.00 4.55 N ATOM 57 CA PHE A 4 -3.755 6.408 3.951 1.00 4.68 C ATOM 58 C PHE A 4 -2.507 5.599 4.036 1.00 5.30 C ATOM 59 O PHE A 4 -2.419 4.543 4.660 1.00 5.58 O ATOM 60 CB PHE A 4 -4.198 7.062 5.271 1.00 4.83 C ATOM 61 CG PHE A 4 -5.507 7.759 5.120 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.775 8.620 4.083 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.463 7.686 6.105 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.909 9.399 4.074 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.524 8.556 6.205 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.774 9.392 5.142 1.00 8.90 C ATOM 0 H PHE A 4 -5.101 4.862 4.216 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.561 7.237 3.270 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.277 6.301 6.047 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.440 7.774 5.598 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.081 8.687 3.258 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.376 6.901 6.842 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.122 10.023 3.218 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.141 8.582 7.091 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.641 10.036 5.146 1.00 8.90 H new ATOM 76 N VAL A 5 -1.424 6.195 3.506 1.00 4.44 N ATOM 77 CA VAL A 5 -0.161 5.532 3.409 1.00 3.87 C ATOM 78 C VAL A 5 0.864 6.407 4.044 1.00 4.93 C ATOM 79 O VAL A 5 1.331 7.448 3.584 1.00 6.84 O ATOM 80 CB VAL A 5 0.246 5.152 2.016 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.696 4.641 2.022 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.728 4.076 1.509 1.00 9.13 C ATOM 0 H VAL A 5 -1.425 7.147 3.141 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.252 4.578 3.929 1.00 3.87 H new ATOM 0 HB VAL A 5 0.204 6.013 1.350 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.989 4.366 1.009 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.357 5.426 2.390 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.772 3.769 2.671 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.452 3.783 0.496 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.682 3.206 2.164 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.742 4.475 1.507 1.00 9.13 H new ATOM 92 N LYS A 6 1.351 5.981 5.223 1.00 6.04 N ATOM 93 CA LYS A 6 2.238 6.625 6.141 1.00 6.12 C ATOM 94 C LYS A 6 3.694 6.357 5.972 1.00 6.57 C ATOM 95 O LYS A 6 4.029 5.173 5.961 1.00 5.76 O ATOM 96 CB LYS A 6 1.834 6.017 7.495 1.00 7.45 C ATOM 97 CG LYS A 6 2.612 6.553 8.698 1.00 11.12 C ATOM 98 CD LYS A 6 2.230 5.947 10.050 1.00 14.54 C ATOM 99 CE LYS A 6 2.892 6.729 11.186 1.00 18.84 C ATOM 100 NZ LYS A 6 2.321 6.367 12.503 1.00 20.55 N ATOM 0 H LYS A 6 1.084 5.062 5.574 1.00 6.04 H new ATOM 0 HA LYS A 6 2.139 7.703 6.010 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.772 6.200 7.657 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.968 4.936 7.446 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.675 6.379 8.528 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.470 7.632 8.750 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.147 5.963 10.171 1.00 14.54 H new ATOM 0 HD3 LYS A 6 2.540 4.903 10.089 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.964 6.532 11.187 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.764 7.798 11.015 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.793 6.916 13.249 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.303 6.578 12.510 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.465 5.352 12.677 1.00 20.55 H new ATOM 114 N THR A 7 4.557 7.387 5.922 1.00 7.41 N ATOM 115 CA THR A 7 5.962 7.123 5.898 1.00 7.48 C ATOM 116 C THR A 7 6.426 7.278 7.305 1.00 8.75 C ATOM 117 O THR A 7 5.797 7.957 8.115 1.00 8.58 O ATOM 118 CB THR A 7 6.823 7.998 5.035 1.00 9.61 C ATOM 119 OG1 THR A 7 6.335 9.316 4.832 1.00 11.78 O ATOM 120 CG2 THR A 7 6.842 7.288 3.670 1.00 9.17 C ATOM 0 H THR A 7 4.295 8.372 5.899 1.00 7.41 H new ATOM 0 HA THR A 7 6.073 6.132 5.459 1.00 7.48 H new ATOM 0 HB THR A 7 7.791 8.122 5.521 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.530 9.862 5.622 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.452 7.860 2.971 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.263 6.289 3.785 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.825 7.211 3.286 1.00 9.17 H new ATOM 128 N LEU A 8 7.549 6.678 7.738 1.00 9.84 N ATOM 129 CA LEU A 8 7.952 6.481 9.096 1.00 14.15 C ATOM 130 C LEU A 8 8.378 7.740 9.769 1.00 17.37 C ATOM 131 O LEU A 8 7.900 7.950 10.883 1.00 17.01 O ATOM 132 CB LEU A 8 9.133 5.498 9.170 1.00 16.63 C ATOM 133 CG LEU A 8 9.441 5.164 10.640 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.183 3.692 11.001 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.876 5.591 10.991 1.00 19.31 C ATOM 0 H LEU A 8 8.232 6.299 7.081 1.00 9.84 H new ATOM 0 HA LEU A 8 7.073 6.089 9.608 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.894 4.586 8.623 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.012 5.934 8.695 1.00 16.63 H new ATOM 0 HG LEU A 8 8.742 5.737 11.249 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.421 3.528 12.052 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.134 3.453 10.825 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.810 3.050 10.382 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.083 5.350 12.034 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.580 5.061 10.350 1.00 19.31 H new ATOM 0 HD23 LEU A 8 10.984 6.665 10.839 1.00 19.31 H new ATOM 147 N THR A 9 9.261 8.556 9.166 1.00 18.33 N ATOM 148 CA THR A 9 9.584 9.907 9.507 1.00 19.24 C ATOM 149 C THR A 9 8.415 10.812 9.686 1.00 19.48 C ATOM 150 O THR A 9 7.999 11.185 10.782 1.00 23.14 O ATOM 151 CB THR A 9 10.733 10.457 8.714 1.00 18.97 C ATOM 152 OG1 THR A 9 10.383 10.675 7.355 1.00 20.24 O ATOM 153 CG2 THR A 9 12.033 9.639 8.786 1.00 19.70 C ATOM 0 H THR A 9 9.800 8.236 8.361 1.00 18.33 H new ATOM 0 HA THR A 9 9.970 9.860 10.525 1.00 19.24 H new ATOM 0 HB THR A 9 10.946 11.408 9.201 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.156 11.035 6.872 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.800 10.121 8.180 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.371 9.583 9.821 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.851 8.633 8.409 1.00 19.70 H new ATOM 161 N GLY A 10 7.802 11.315 8.600 1.00 19.43 N ATOM 162 CA GLY A 10 6.704 12.230 8.660 1.00 18.74 C ATOM 163 C GLY A 10 5.939 12.007 7.401 1.00 17.62 C ATOM 164 O GLY A 10 6.476 11.442 6.450 1.00 19.74 O ATOM 0 H GLY A 10 8.080 11.077 7.648 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.083 12.043 9.536 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.053 13.260 8.731 1.00 18.74 H new ATOM 168 N LYS A 11 4.668 12.447 7.368 1.00 13.56 N ATOM 169 CA LYS A 11 3.818 12.596 6.228 1.00 11.91 C ATOM 170 C LYS A 11 3.061 11.377 5.826 1.00 10.18 C ATOM 171 O LYS A 11 3.647 10.320 5.601 1.00 9.10 O ATOM 172 CB LYS A 11 4.494 13.256 5.015 1.00 13.43 C ATOM 173 CG LYS A 11 3.562 13.732 3.898 1.00 16.69 C ATOM 174 CD LYS A 11 4.254 14.098 2.584 1.00 17.92 C ATOM 175 CE LYS A 11 3.290 14.718 1.570 1.00 20.81 C ATOM 176 NZ LYS A 11 3.933 15.047 0.278 1.00 21.93 N ATOM 0 H LYS A 11 4.191 12.725 8.226 1.00 13.56 H new ATOM 0 HA LYS A 11 3.070 13.297 6.599 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.071 14.111 5.367 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.204 12.546 4.590 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.830 12.949 3.699 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.009 14.602 4.254 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.064 14.798 2.786 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.705 13.204 2.153 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.466 14.027 1.393 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.860 15.625 1.995 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.202 15.187 -0.448 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.491 15.919 0.380 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.559 14.267 -0.007 1.00 21.93 H new ATOM 190 N THR A 12 1.726 11.468 5.682 1.00 9.63 N ATOM 191 CA THR A 12 0.807 10.413 5.388 1.00 9.85 C ATOM 192 C THR A 12 0.130 10.772 4.111 1.00 11.66 C ATOM 193 O THR A 12 -0.718 11.663 4.080 1.00 12.33 O ATOM 194 CB THR A 12 -0.173 10.116 6.484 1.00 10.85 C ATOM 195 OG1 THR A 12 0.506 9.435 7.528 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.299 9.113 6.181 1.00 9.63 C ATOM 0 H THR A 12 1.249 12.364 5.781 1.00 9.63 H new ATOM 0 HA THR A 12 1.363 9.480 5.294 1.00 9.85 H new ATOM 0 HB THR A 12 -0.594 11.101 6.687 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.123 9.236 8.252 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.930 8.997 7.062 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.901 9.482 5.350 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.866 8.149 5.915 1.00 9.63 H new ATOM 204 N ILE A 13 0.467 10.123 2.982 1.00 10.42 N ATOM 205 CA ILE A 13 -0.183 10.465 1.755 1.00 11.84 C ATOM 206 C ILE A 13 -1.440 9.698 1.530 1.00 10.55 C ATOM 207 O ILE A 13 -1.692 8.654 2.128 1.00 11.92 O ATOM 208 CB ILE A 13 0.785 10.461 0.609 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.264 9.005 0.476 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.850 11.530 0.906 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.742 8.743 -0.951 1.00 16.46 C ATOM 0 H ILE A 13 1.167 9.384 2.917 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.531 11.495 1.833 1.00 11.84 H new ATOM 0 HB ILE A 13 0.384 10.739 -0.365 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.073 8.813 1.181 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.453 8.322 0.728 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.575 11.557 0.092 1.00 17.08 H new ATOM 0 HG22 ILE A 13 1.371 12.505 0.999 1.00 17.08 H new ATOM 0 HG23 ILE A 13 2.360 11.286 1.838 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.080 7.710 -1.038 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.921 8.916 -1.647 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.567 9.415 -1.188 1.00 16.46 H new ATOM 223 N THR A 14 -2.337 10.359 0.777 1.00 9.39 N ATOM 224 CA THR A 14 -3.652 9.833 0.576 1.00 9.63 C ATOM 225 C THR A 14 -3.825 9.412 -0.843 1.00 11.20 C ATOM 226 O THR A 14 -3.784 10.237 -1.755 1.00 11.63 O ATOM 227 CB THR A 14 -4.737 10.797 0.951 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.555 11.309 2.262 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.082 10.057 0.852 1.00 11.66 C ATOM 0 H THR A 14 -2.155 11.248 0.312 1.00 9.39 H new ATOM 0 HA THR A 14 -3.746 8.973 1.239 1.00 9.63 H new ATOM 0 HB THR A 14 -4.712 11.649 0.271 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.991 10.715 2.908 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.891 10.736 1.120 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.228 9.703 -0.168 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.081 9.207 1.534 1.00 11.66 H new ATOM 237 N LEU A 15 -3.974 8.104 -1.118 1.00 8.29 N ATOM 238 CA LEU A 15 -4.213 7.724 -2.476 1.00 9.03 C ATOM 239 C LEU A 15 -5.631 7.278 -2.571 1.00 8.59 C ATOM 240 O LEU A 15 -6.257 6.671 -1.703 1.00 7.79 O ATOM 241 CB LEU A 15 -3.431 6.501 -2.984 1.00 11.08 C ATOM 242 CG LEU A 15 -1.899 6.454 -2.852 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.333 7.747 -3.463 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.523 6.281 -1.371 1.00 15.88 C ATOM 0 H LEU A 15 -3.932 7.343 -0.440 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.922 8.597 -3.061 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.827 5.627 -2.468 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.668 6.382 -4.041 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.471 5.607 -3.388 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.246 7.742 -3.383 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.620 7.809 -4.513 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.732 8.608 -2.926 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.438 6.247 -1.273 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.913 7.121 -0.796 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.951 5.352 -0.993 1.00 15.88 H new ATOM 256 N GLU A 16 -6.301 7.668 -3.670 1.00 11.04 N ATOM 257 CA GLU A 16 -7.611 7.273 -4.087 1.00 11.50 C ATOM 258 C GLU A 16 -7.505 5.986 -4.830 1.00 10.13 C ATOM 259 O GLU A 16 -6.757 5.822 -5.793 1.00 9.83 O ATOM 260 CB GLU A 16 -8.147 8.334 -5.063 1.00 17.22 C ATOM 261 CG GLU A 16 -9.611 8.004 -5.361 1.00 23.33 C ATOM 262 CD GLU A 16 -10.426 9.233 -5.737 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.004 9.900 -6.719 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.503 9.516 -5.148 1.00 28.90 O ATOM 0 H GLU A 16 -5.882 8.324 -4.329 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.267 7.168 -3.223 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.062 9.330 -4.628 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.562 8.336 -5.983 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.658 7.280 -6.174 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.058 7.531 -4.487 1.00 23.33 H new ATOM 271 N VAL A 17 -8.253 4.938 -4.439 1.00 8.99 N ATOM 272 CA VAL A 17 -8.214 3.628 -5.011 1.00 8.85 C ATOM 273 C VAL A 17 -9.544 2.965 -4.904 1.00 8.04 C ATOM 274 O VAL A 17 -10.537 3.498 -4.413 1.00 8.99 O ATOM 275 CB VAL A 17 -7.200 2.674 -4.453 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.737 3.075 -4.706 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.383 2.550 -2.931 1.00 10.54 C ATOM 0 H VAL A 17 -8.926 5.011 -3.676 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.917 3.829 -6.040 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.380 1.734 -4.975 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.074 2.329 -4.268 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.557 3.135 -5.779 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.542 4.046 -4.250 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.644 1.856 -2.531 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.251 3.528 -2.468 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.384 2.178 -2.714 1.00 10.54 H new ATOM 287 N GLU A 18 -9.733 1.758 -5.467 1.00 7.29 N ATOM 288 CA GLU A 18 -10.909 0.948 -5.409 1.00 7.08 C ATOM 289 C GLU A 18 -10.604 -0.310 -4.671 1.00 6.45 C ATOM 290 O GLU A 18 -9.502 -0.853 -4.744 1.00 5.28 O ATOM 291 CB GLU A 18 -11.276 0.649 -6.873 1.00 10.28 C ATOM 292 CG GLU A 18 -12.391 1.504 -7.479 1.00 12.65 C ATOM 293 CD GLU A 18 -12.598 1.360 -8.980 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.898 0.555 -9.650 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.562 2.007 -9.469 1.00 18.17 O ATOM 0 H GLU A 18 -8.995 1.311 -6.011 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.732 1.440 -4.891 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.381 0.772 -7.482 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.570 -0.398 -6.945 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.326 1.256 -6.977 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.180 2.551 -7.260 1.00 12.65 H new ATOM 302 N PRO A 19 -11.481 -0.950 -3.957 1.00 7.24 N ATOM 303 CA PRO A 19 -11.247 -2.168 -3.237 1.00 7.07 C ATOM 304 C PRO A 19 -10.923 -3.360 -4.070 1.00 6.65 C ATOM 305 O PRO A 19 -10.443 -4.361 -3.539 1.00 6.37 O ATOM 306 CB PRO A 19 -12.490 -2.302 -2.361 1.00 7.61 C ATOM 307 CG PRO A 19 -13.587 -1.618 -3.192 1.00 8.16 C ATOM 308 CD PRO A 19 -12.809 -0.403 -3.723 1.00 7.49 C ATOM 0 HA PRO A 19 -10.330 -2.122 -2.649 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.730 -3.346 -2.161 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.355 -1.815 -1.395 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.960 -2.256 -3.994 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.447 -1.329 -2.588 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.251 -0.008 -4.638 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.789 0.413 -3.000 1.00 7.49 H new ATOM 316 N SER A 20 -11.031 -3.297 -5.409 1.00 6.80 N ATOM 317 CA SER A 20 -10.671 -4.425 -6.210 1.00 6.28 C ATOM 318 C SER A 20 -9.368 -4.069 -6.838 1.00 8.45 C ATOM 319 O SER A 20 -8.897 -4.751 -7.747 1.00 7.26 O ATOM 320 CB SER A 20 -11.679 -4.785 -7.314 1.00 8.57 C ATOM 321 OG SER A 20 -12.835 -5.236 -6.624 1.00 11.13 O ATOM 0 H SER A 20 -11.360 -2.483 -5.928 1.00 6.80 H new ATOM 0 HA SER A 20 -10.635 -5.305 -5.568 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.905 -3.921 -7.939 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.284 -5.560 -7.971 1.00 8.57 H new ATOM 0 HG SER A 20 -13.527 -5.483 -7.272 1.00 11.13 H new ATOM 327 N ASP A 21 -8.634 -3.053 -6.351 1.00 7.50 N ATOM 328 CA ASP A 21 -7.284 -2.867 -6.786 1.00 7.70 C ATOM 329 C ASP A 21 -6.334 -3.738 -6.039 1.00 7.08 C ATOM 330 O ASP A 21 -6.574 -4.117 -4.894 1.00 8.11 O ATOM 331 CB ASP A 21 -6.883 -1.419 -6.457 1.00 11.00 C ATOM 332 CG ASP A 21 -7.625 -0.497 -7.413 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.146 -0.963 -8.461 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.677 0.731 -7.134 1.00 14.36 O ATOM 0 H ASP A 21 -8.966 -2.372 -5.669 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.237 -3.103 -7.849 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.135 -1.179 -5.424 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.806 -1.289 -6.561 1.00 11.00 H new ATOM 339 N THR A 22 -5.198 -4.068 -6.680 1.00 5.37 N ATOM 340 CA THR A 22 -4.154 -4.935 -6.229 1.00 6.01 C ATOM 341 C THR A 22 -3.239 -4.067 -5.436 1.00 8.01 C ATOM 342 O THR A 22 -3.214 -2.838 -5.468 1.00 8.11 O ATOM 343 CB THR A 22 -3.435 -5.782 -7.237 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.886 -4.958 -8.254 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.339 -6.762 -8.005 1.00 9.65 C ATOM 0 H THR A 22 -4.993 -3.689 -7.605 1.00 5.37 H new ATOM 0 HA THR A 22 -4.618 -5.732 -5.648 1.00 6.01 H new ATOM 0 HB THR A 22 -2.700 -6.331 -6.649 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.416 -5.516 -8.909 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.738 -7.334 -8.712 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.817 -7.443 -7.301 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.103 -6.204 -8.546 1.00 9.65 H new ATOM 353 N ILE A 23 -2.344 -4.669 -4.633 1.00 8.32 N ATOM 354 CA ILE A 23 -1.400 -3.980 -3.809 1.00 9.92 C ATOM 355 C ILE A 23 -0.290 -3.449 -4.649 1.00 10.01 C ATOM 356 O ILE A 23 0.280 -2.392 -4.383 1.00 8.71 O ATOM 357 CB ILE A 23 -0.977 -4.807 -2.631 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.081 -5.714 -2.062 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.490 -3.805 -1.571 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.187 -5.004 -1.282 1.00 12.30 C ATOM 0 H ILE A 23 -2.275 -5.684 -4.555 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.872 -3.110 -3.353 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.200 -5.505 -2.943 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.537 -6.261 -2.887 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.617 -6.453 -1.408 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.166 -4.345 -0.682 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.345 -3.229 -1.971 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.304 -3.129 -1.308 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.911 -5.738 -0.927 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.753 -4.481 -0.430 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.687 -4.286 -1.932 1.00 12.30 H new ATOM 372 N GLU A 24 -0.083 -4.033 -5.843 1.00 9.54 N ATOM 373 CA GLU A 24 0.675 -3.527 -6.945 1.00 11.81 C ATOM 374 C GLU A 24 0.198 -2.198 -7.420 1.00 11.14 C ATOM 375 O GLU A 24 0.927 -1.347 -7.927 1.00 10.62 O ATOM 376 CB GLU A 24 0.805 -4.600 -8.039 1.00 19.24 C ATOM 377 CG GLU A 24 1.484 -4.025 -9.283 1.00 27.76 C ATOM 378 CD GLU A 24 1.567 -5.027 -10.426 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.502 -5.310 -11.036 1.00 34.80 O ATOM 380 OE2 GLU A 24 2.697 -5.505 -10.712 1.00 36.51 O ATOM 0 H GLU A 24 -0.486 -4.946 -6.054 1.00 9.54 H new ATOM 0 HA GLU A 24 1.688 -3.316 -6.602 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.382 -5.444 -7.661 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.182 -4.981 -8.301 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.935 -3.145 -9.617 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.489 -3.694 -9.022 1.00 27.76 H new ATOM 387 N ASN A 25 -1.126 -1.995 -7.298 1.00 9.43 N ATOM 388 CA ASN A 25 -1.787 -0.806 -7.739 1.00 10.96 C ATOM 389 C ASN A 25 -1.792 0.224 -6.663 1.00 9.68 C ATOM 390 O ASN A 25 -1.976 1.414 -6.915 1.00 9.33 O ATOM 391 CB ASN A 25 -3.134 -1.199 -8.369 1.00 16.78 C ATOM 392 CG ASN A 25 -2.937 -1.363 -9.870 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.158 -0.531 -10.748 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.281 -2.517 -10.167 1.00 24.70 N ATOM 0 H ASN A 25 -1.756 -2.679 -6.880 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.250 -0.297 -8.539 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.500 -2.128 -7.931 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.884 -0.434 -8.167 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -1.970 -2.696 -11.122 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.100 -3.204 -9.435 1.00 24.70 H new ATOM 401 N VAL A 26 -1.639 -0.135 -5.375 1.00 6.52 N ATOM 402 CA VAL A 26 -1.419 0.821 -4.336 1.00 5.53 C ATOM 403 C VAL A 26 -0.014 1.300 -4.474 1.00 4.42 C ATOM 404 O VAL A 26 0.150 2.501 -4.684 1.00 3.40 O ATOM 405 CB VAL A 26 -1.520 0.260 -2.948 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.255 1.297 -1.844 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.006 -0.107 -2.794 1.00 8.12 C ATOM 0 H VAL A 26 -1.669 -1.102 -5.051 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.185 1.588 -4.448 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.796 -0.548 -2.841 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.345 0.820 -0.868 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.249 1.702 -1.959 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.982 2.105 -1.922 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.176 -0.528 -1.803 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.616 0.787 -2.918 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.280 -0.841 -3.552 1.00 8.12 H new ATOM 417 N LYS A 27 1.009 0.436 -4.595 1.00 2.64 N ATOM 418 CA LYS A 27 2.362 0.762 -4.923 1.00 4.14 C ATOM 419 C LYS A 27 2.448 1.697 -6.081 1.00 5.58 C ATOM 420 O LYS A 27 3.141 2.710 -5.998 1.00 4.11 O ATOM 421 CB LYS A 27 3.156 -0.467 -5.397 1.00 3.97 C ATOM 422 CG LYS A 27 3.552 -1.302 -4.177 1.00 7.45 C ATOM 423 CD LYS A 27 4.300 -2.545 -4.662 1.00 9.02 C ATOM 424 CE LYS A 27 4.942 -3.421 -3.585 1.00 12.90 C ATOM 425 NZ LYS A 27 5.541 -4.653 -4.147 1.00 15.47 N ATOM 0 H LYS A 27 0.879 -0.566 -4.453 1.00 2.64 H new ATOM 0 HA LYS A 27 2.762 1.191 -4.004 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.554 -1.063 -6.083 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.045 -0.153 -5.944 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.183 -0.718 -3.507 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.666 -1.590 -3.611 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.604 -3.161 -5.232 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.081 -2.225 -5.352 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.711 -2.850 -3.066 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.190 -3.691 -2.843 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.436 -4.858 -3.659 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.885 -5.449 -4.015 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.723 -4.519 -5.162 1.00 15.47 H new ATOM 439 N ALA A 28 1.676 1.436 -7.151 1.00 6.61 N ATOM 440 CA ALA A 28 1.641 2.109 -8.412 1.00 7.74 C ATOM 441 C ALA A 28 1.170 3.516 -8.274 1.00 9.17 C ATOM 442 O ALA A 28 1.783 4.375 -8.906 1.00 11.45 O ATOM 443 CB ALA A 28 0.820 1.412 -9.510 1.00 7.68 C ATOM 0 H ALA A 28 1.004 0.669 -7.126 1.00 6.61 H new ATOM 0 HA ALA A 28 2.680 2.083 -8.740 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.859 2.004 -10.424 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.234 0.422 -9.701 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.216 1.315 -9.184 1.00 7.68 H new ATOM 449 N LYS A 29 0.145 3.771 -7.442 1.00 8.96 N ATOM 450 CA LYS A 29 -0.298 5.063 -7.018 1.00 7.90 C ATOM 451 C LYS A 29 0.724 5.820 -6.242 1.00 6.92 C ATOM 452 O LYS A 29 0.983 6.976 -6.574 1.00 6.87 O ATOM 453 CB LYS A 29 -1.602 4.897 -6.219 1.00 10.28 C ATOM 454 CG LYS A 29 -2.871 4.502 -6.975 1.00 14.94 C ATOM 455 CD LYS A 29 -3.656 5.663 -7.589 1.00 19.69 C ATOM 456 CE LYS A 29 -4.884 5.461 -8.478 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.552 4.706 -9.707 1.00 24.98 N ATOM 0 H LYS A 29 -0.414 3.020 -7.037 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.475 5.666 -7.909 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.427 4.146 -5.449 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.800 5.838 -5.707 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.599 3.808 -7.771 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.527 3.962 -6.292 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.975 6.293 -6.759 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.943 6.243 -8.174 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.653 4.928 -7.920 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.301 6.431 -8.748 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.409 4.589 -10.284 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -3.836 5.227 -10.252 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.177 3.771 -9.449 1.00 24.98 H new ATOM 471 N ILE A 30 1.438 5.178 -5.301 1.00 4.57 N ATOM 472 CA ILE A 30 2.534 5.870 -4.697 1.00 5.58 C ATOM 473 C ILE A 30 3.662 6.256 -5.591 1.00 7.26 C ATOM 474 O ILE A 30 4.202 7.357 -5.491 1.00 9.46 O ATOM 475 CB ILE A 30 3.085 5.073 -3.552 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.938 4.828 -2.557 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.193 5.845 -2.817 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.111 3.453 -1.912 1.00 2.00 C ATOM 0 H ILE A 30 1.270 4.228 -4.970 1.00 4.57 H new ATOM 0 HA ILE A 30 2.089 6.811 -4.375 1.00 5.58 H new ATOM 0 HB ILE A 30 3.503 4.143 -3.937 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.934 5.603 -1.791 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.978 4.883 -3.071 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.572 5.241 -1.993 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.005 6.064 -3.510 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.788 6.779 -2.426 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.299 3.277 -1.206 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.093 2.684 -2.684 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.064 3.416 -1.385 1.00 2.00 H new ATOM 490 N GLN A 31 3.981 5.344 -6.525 1.00 7.06 N ATOM 491 CA GLN A 31 4.983 5.456 -7.540 1.00 8.67 C ATOM 492 C GLN A 31 4.684 6.584 -8.467 1.00 10.90 C ATOM 493 O GLN A 31 5.543 7.255 -9.037 1.00 9.63 O ATOM 494 CB GLN A 31 4.998 4.135 -8.327 1.00 9.12 C ATOM 495 CG GLN A 31 6.004 3.890 -9.454 1.00 10.76 C ATOM 496 CD GLN A 31 5.736 2.517 -10.053 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.915 1.722 -9.597 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.375 2.300 -11.233 1.00 14.76 N ATOM 0 H GLN A 31 3.494 4.449 -6.573 1.00 7.06 H new ATOM 0 HA GLN A 31 5.951 5.652 -7.079 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.134 3.334 -7.600 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.004 4.010 -8.756 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.911 4.661 -10.219 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.023 3.943 -9.070 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.050 2.981 -11.580 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.180 1.456 -11.771 1.00 14.76 H new ATOM 507 N ASP A 32 3.389 6.900 -8.644 1.00 10.93 N ATOM 508 CA ASP A 32 3.034 8.135 -9.270 1.00 14.01 C ATOM 509 C ASP A 32 3.079 9.351 -8.410 1.00 14.04 C ATOM 510 O ASP A 32 3.736 10.327 -8.769 1.00 13.39 O ATOM 511 CB ASP A 32 1.605 7.898 -9.788 1.00 18.01 C ATOM 512 CG ASP A 32 1.130 9.006 -10.717 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.679 10.057 -10.187 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.181 8.760 -11.951 1.00 26.29 O ATOM 0 H ASP A 32 2.603 6.315 -8.361 1.00 10.93 H new ATOM 0 HA ASP A 32 3.771 8.364 -10.039 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.567 6.945 -10.315 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.923 7.821 -8.941 1.00 18.01 H new ATOM 519 N LYS A 33 2.350 9.380 -7.280 1.00 14.22 N ATOM 520 CA LYS A 33 1.959 10.624 -6.693 1.00 14.00 C ATOM 521 C LYS A 33 3.140 11.172 -5.969 1.00 12.37 C ATOM 522 O LYS A 33 3.540 12.321 -6.148 1.00 12.17 O ATOM 523 CB LYS A 33 0.726 10.403 -5.801 1.00 18.62 C ATOM 524 CG LYS A 33 0.016 11.671 -5.322 1.00 24.00 C ATOM 525 CD LYS A 33 -1.168 11.445 -4.380 1.00 27.61 C ATOM 526 CE LYS A 33 -1.771 12.684 -3.715 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.234 13.675 -4.711 1.00 30.06 N ATOM 0 H LYS A 33 2.034 8.551 -6.777 1.00 14.22 H new ATOM 0 HA LYS A 33 1.658 11.359 -7.439 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.009 9.793 -6.350 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.031 9.828 -4.927 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.744 12.306 -4.817 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.336 12.221 -6.195 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.957 10.944 -4.941 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.850 10.759 -3.594 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.608 12.386 -3.083 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.028 13.144 -3.063 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.636 14.499 -4.220 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.431 13.979 -5.297 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.962 13.244 -5.317 1.00 30.06 H new ATOM 541 N GLU A 34 3.795 10.330 -5.149 1.00 10.11 N ATOM 542 CA GLU A 34 5.055 10.724 -4.600 1.00 10.07 C ATOM 543 C GLU A 34 6.218 10.430 -5.484 1.00 9.32 C ATOM 544 O GLU A 34 7.154 11.223 -5.564 1.00 11.61 O ATOM 545 CB GLU A 34 5.250 10.282 -3.139 1.00 14.77 C ATOM 546 CG GLU A 34 4.405 11.006 -2.089 1.00 18.75 C ATOM 547 CD GLU A 34 4.781 12.429 -1.703 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.637 13.344 -2.557 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.178 12.654 -0.528 1.00 25.19 O ATOM 0 H GLU A 34 3.466 9.405 -4.873 1.00 10.11 H new ATOM 0 HA GLU A 34 5.018 11.813 -4.560 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.035 9.215 -3.074 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.301 10.412 -2.880 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.375 11.022 -2.447 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.418 10.403 -1.181 1.00 18.75 H new ATOM 556 N GLY A 35 6.269 9.215 -6.059 1.00 7.22 N ATOM 557 CA GLY A 35 7.416 8.770 -6.788 1.00 6.29 C ATOM 558 C GLY A 35 8.490 8.278 -5.880 1.00 6.93 C ATOM 559 O GLY A 35 9.604 8.799 -5.852 1.00 7.41 O ATOM 0 H GLY A 35 5.509 8.536 -6.018 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.125 7.973 -7.473 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.801 9.589 -7.396 1.00 6.29 H new ATOM 563 N ILE A 36 8.092 7.161 -5.244 1.00 5.86 N ATOM 564 CA ILE A 36 8.913 6.251 -4.508 1.00 6.07 C ATOM 565 C ILE A 36 8.860 5.027 -5.357 1.00 6.36 C ATOM 566 O ILE A 36 7.749 4.534 -5.539 1.00 6.18 O ATOM 567 CB ILE A 36 8.475 6.155 -3.076 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.576 7.567 -2.476 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.188 5.052 -2.277 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.834 7.718 -1.149 1.00 9.49 C ATOM 0 H ILE A 36 7.114 6.873 -5.246 1.00 5.86 H new ATOM 0 HA ILE A 36 9.954 6.538 -4.358 1.00 6.07 H new ATOM 0 HB ILE A 36 7.439 5.821 -3.020 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.627 7.816 -2.326 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.177 8.287 -3.191 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.816 5.047 -1.252 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.992 4.084 -2.739 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.261 5.242 -2.273 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.947 8.738 -0.783 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.776 7.501 -1.297 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.249 7.023 -0.419 1.00 9.49 H new ATOM 582 N PRO A 37 9.892 4.467 -5.916 1.00 8.65 N ATOM 583 CA PRO A 37 9.802 3.309 -6.758 1.00 9.18 C ATOM 584 C PRO A 37 9.277 2.100 -6.063 1.00 9.85 C ATOM 585 O PRO A 37 9.370 1.897 -4.853 1.00 8.51 O ATOM 586 CB PRO A 37 11.247 3.181 -7.232 1.00 11.42 C ATOM 587 CG PRO A 37 11.773 4.617 -7.383 1.00 9.27 C ATOM 588 CD PRO A 37 11.097 5.246 -6.155 1.00 8.33 C ATOM 0 HA PRO A 37 9.083 3.405 -7.571 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.845 2.620 -6.514 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.301 2.644 -8.179 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.861 4.674 -7.341 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.465 5.083 -8.319 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.758 5.217 -5.289 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.855 6.293 -6.337 1.00 8.33 H new ATOM 596 N PRO A 38 8.678 1.130 -6.688 1.00 8.71 N ATOM 597 CA PRO A 38 7.913 0.136 -5.993 1.00 9.08 C ATOM 598 C PRO A 38 8.654 -0.895 -5.213 1.00 9.28 C ATOM 599 O PRO A 38 8.054 -1.486 -4.316 1.00 6.50 O ATOM 600 CB PRO A 38 7.080 -0.566 -7.063 1.00 10.31 C ATOM 601 CG PRO A 38 7.763 -0.205 -8.392 1.00 10.81 C ATOM 602 CD PRO A 38 8.373 1.178 -8.110 1.00 12.00 C ATOM 0 HA PRO A 38 7.350 0.668 -5.226 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.063 -1.645 -6.907 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.045 -0.225 -7.045 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.527 -0.934 -8.663 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.049 -0.170 -9.215 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.268 1.351 -8.707 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.674 1.981 -8.344 1.00 12.00 H new ATOM 610 N ASP A 39 9.977 -0.977 -5.442 1.00 11.20 N ATOM 611 CA ASP A 39 10.814 -1.864 -4.695 1.00 14.96 C ATOM 612 C ASP A 39 11.420 -1.196 -3.509 1.00 13.99 C ATOM 613 O ASP A 39 12.032 -1.840 -2.658 1.00 13.75 O ATOM 614 CB ASP A 39 11.868 -2.621 -5.521 1.00 24.16 C ATOM 615 CG ASP A 39 11.325 -3.291 -6.775 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.457 -4.177 -6.553 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.662 -2.902 -7.925 1.00 35.55 O ATOM 0 H ASP A 39 10.468 -0.427 -6.147 1.00 11.20 H new ATOM 0 HA ASP A 39 10.133 -2.638 -4.341 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.655 -1.924 -5.809 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.330 -3.380 -4.890 1.00 24.16 H new ATOM 622 N GLN A 40 11.302 0.138 -3.393 1.00 11.60 N ATOM 623 CA GLN A 40 11.634 0.856 -2.202 1.00 10.76 C ATOM 624 C GLN A 40 10.544 0.893 -1.187 1.00 8.01 C ATOM 625 O GLN A 40 10.788 1.360 -0.076 1.00 8.96 O ATOM 626 CB GLN A 40 12.086 2.315 -2.384 1.00 11.14 C ATOM 627 CG GLN A 40 13.282 2.359 -3.337 1.00 14.85 C ATOM 628 CD GLN A 40 13.504 3.784 -3.823 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.910 4.769 -3.386 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.274 3.974 -4.928 1.00 18.16 N ATOM 0 H GLN A 40 10.966 0.735 -4.149 1.00 11.60 H new ATOM 0 HA GLN A 40 12.481 0.261 -1.861 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.267 2.914 -2.782 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.358 2.746 -1.421 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.176 1.995 -2.830 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.106 1.699 -4.186 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.788 3.191 -5.332 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.337 4.899 -5.353 1.00 18.16 H new ATOM 639 N GLN A 41 9.358 0.390 -1.571 1.00 6.52 N ATOM 640 CA GLN A 41 8.208 0.413 -0.721 1.00 3.87 C ATOM 641 C GLN A 41 8.112 -0.895 -0.013 1.00 4.79 C ATOM 642 O GLN A 41 8.145 -1.871 -0.761 1.00 6.34 O ATOM 643 CB GLN A 41 6.927 0.631 -1.543 1.00 4.20 C ATOM 644 CG GLN A 41 6.913 1.985 -2.255 1.00 3.20 C ATOM 645 CD GLN A 41 5.641 2.171 -3.070 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.604 1.574 -2.786 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.706 3.005 -4.142 1.00 7.13 N ATOM 0 H GLN A 41 9.194 -0.038 -2.482 1.00 6.52 H new ATOM 0 HA GLN A 41 8.310 1.232 -0.009 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.833 -0.165 -2.281 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.060 0.561 -0.886 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.996 2.785 -1.520 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.781 2.062 -2.910 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.577 3.490 -4.359 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.884 3.146 -4.729 1.00 7.13 H new ATOM 656 N ARG A 42 8.079 -0.879 1.331 1.00 5.73 N ATOM 657 CA ARG A 42 7.683 -2.031 2.080 1.00 6.97 C ATOM 658 C ARG A 42 6.311 -1.762 2.594 1.00 7.15 C ATOM 659 O ARG A 42 6.244 -0.947 3.513 1.00 7.33 O ATOM 660 CB ARG A 42 8.697 -2.317 3.201 1.00 13.23 C ATOM 661 CG ARG A 42 8.638 -3.718 3.813 1.00 21.27 C ATOM 662 CD ARG A 42 9.738 -4.148 4.785 1.00 26.14 C ATOM 663 NE ARG A 42 9.518 -5.539 5.269 1.00 32.26 N ATOM 664 CZ ARG A 42 10.327 -6.171 6.169 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.319 -5.500 6.824 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.217 -7.504 6.439 1.00 36.39 N ATOM 0 H ARG A 42 8.326 -0.069 1.899 1.00 5.73 H new ATOM 0 HA ARG A 42 7.666 -2.929 1.463 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.700 -2.156 2.807 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.546 -1.587 3.996 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.684 -3.810 4.333 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.624 -4.436 2.993 1.00 21.27 H new ATOM 0 HD2 ARG A 42 10.708 -4.081 4.293 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.764 -3.465 5.634 1.00 26.14 H new ATOM 0 HE ARG A 42 8.714 -6.051 4.906 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.467 -4.507 6.645 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.912 -5.992 7.493 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.511 -8.065 5.961 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.841 -7.940 7.118 1.00 36.39 H new ATOM 680 N LEU A 43 5.200 -2.285 2.046 1.00 4.65 N ATOM 681 CA LEU A 43 3.881 -1.981 2.508 1.00 3.51 C ATOM 682 C LEU A 43 3.452 -2.953 3.553 1.00 5.56 C ATOM 683 O LEU A 43 3.010 -4.050 3.218 1.00 4.19 O ATOM 684 CB LEU A 43 2.892 -1.849 1.337 1.00 3.74 C ATOM 685 CG LEU A 43 3.220 -0.730 0.334 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.231 -0.839 -0.838 1.00 6.41 C ATOM 687 CD2 LEU A 43 3.152 0.696 0.906 1.00 9.55 C ATOM 0 H LEU A 43 5.219 -2.936 1.261 1.00 4.65 H new ATOM 0 HA LEU A 43 3.892 -1.003 2.989 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.857 -2.798 0.802 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.895 -1.674 1.741 1.00 3.74 H new ATOM 0 HG LEU A 43 4.257 -0.878 0.033 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.442 -0.055 -1.566 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.337 -1.814 -1.314 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.213 -0.725 -0.467 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.399 1.414 0.124 1.00 9.55 H new ATOM 0 HD22 LEU A 43 2.145 0.893 1.274 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.864 0.794 1.726 1.00 9.55 H new ATOM 699 N ILE A 44 3.561 -2.567 4.837 1.00 4.58 N ATOM 700 CA ILE A 44 3.286 -3.303 6.032 1.00 5.55 C ATOM 701 C ILE A 44 1.997 -2.840 6.619 1.00 5.46 C ATOM 702 O ILE A 44 1.872 -1.650 6.904 1.00 6.04 O ATOM 703 CB ILE A 44 4.336 -3.232 7.102 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.667 -3.728 6.514 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.988 -4.019 8.376 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.852 -3.859 7.470 1.00 13.90 C ATOM 0 H ILE A 44 3.881 -1.624 5.060 1.00 4.58 H new ATOM 0 HA ILE A 44 3.254 -4.343 5.709 1.00 5.55 H new ATOM 0 HB ILE A 44 4.407 -2.191 7.417 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.492 -4.703 6.059 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.955 -3.049 5.712 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.797 -3.917 9.099 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.066 -3.627 8.805 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.854 -5.072 8.128 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.723 -4.218 6.922 1.00 13.90 H new ATOM 0 HD12 ILE A 44 7.075 -2.886 7.909 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.604 -4.566 8.262 1.00 13.90 H new ATOM 718 N PHE A 45 0.943 -3.669 6.729 1.00 6.75 N ATOM 719 CA PHE A 45 -0.187 -3.365 7.551 1.00 4.70 C ATOM 720 C PHE A 45 0.131 -4.015 8.853 1.00 6.34 C ATOM 721 O PHE A 45 0.087 -5.232 9.021 1.00 5.45 O ATOM 722 CB PHE A 45 -1.550 -3.841 7.020 1.00 5.51 C ATOM 723 CG PHE A 45 -2.727 -3.431 7.836 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.117 -4.180 8.921 1.00 5.87 C ATOM 725 CD2 PHE A 45 -3.535 -2.406 7.404 1.00 6.86 C ATOM 726 CE1 PHE A 45 -4.238 -3.836 9.640 1.00 6.64 C ATOM 727 CE2 PHE A 45 -4.655 -2.095 8.139 1.00 6.68 C ATOM 728 CZ PHE A 45 -4.994 -2.737 9.307 1.00 6.84 C ATOM 0 H PHE A 45 0.874 -4.562 6.241 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.320 -2.284 7.603 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.680 -3.461 6.007 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.536 -4.929 6.953 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.539 -5.045 9.211 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -3.295 -1.856 6.506 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -4.531 -4.442 10.484 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -5.301 -1.307 7.781 1.00 6.68 H new ATOM 0 HZ PHE A 45 -5.809 -2.397 9.928 1.00 6.84 H new ATOM 738 N ALA A 46 0.340 -3.221 9.919 1.00 6.53 N ATOM 739 CA ALA A 46 0.648 -3.622 11.257 1.00 7.15 C ATOM 740 C ALA A 46 1.910 -4.389 11.452 1.00 9.00 C ATOM 741 O ALA A 46 2.955 -3.939 11.920 1.00 11.15 O ATOM 742 CB ALA A 46 -0.569 -4.381 11.813 1.00 8.99 C ATOM 0 H ALA A 46 0.288 -2.206 9.834 1.00 6.53 H new ATOM 0 HA ALA A 46 0.848 -2.707 11.814 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.363 -4.700 12.835 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.440 -3.726 11.806 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.767 -5.255 11.193 1.00 8.99 H new ATOM 748 N GLY A 47 1.915 -5.699 11.148 1.00 9.35 N ATOM 749 CA GLY A 47 3.127 -6.451 11.241 1.00 11.68 C ATOM 750 C GLY A 47 3.292 -7.590 10.295 1.00 11.14 C ATOM 751 O GLY A 47 4.126 -8.466 10.520 1.00 13.93 O ATOM 0 H GLY A 47 1.098 -6.229 10.844 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.962 -5.766 11.095 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.207 -6.840 12.256 1.00 11.68 H new ATOM 755 N LYS A 48 2.498 -7.589 9.209 1.00 10.47 N ATOM 756 CA LYS A 48 2.703 -8.525 8.147 1.00 8.82 C ATOM 757 C LYS A 48 2.577 -7.640 6.955 1.00 7.68 C ATOM 758 O LYS A 48 1.810 -6.685 6.841 1.00 6.47 O ATOM 759 CB LYS A 48 1.564 -9.559 8.143 1.00 9.74 C ATOM 760 CG LYS A 48 1.300 -10.516 6.979 1.00 14.14 C ATOM 761 CD LYS A 48 0.178 -11.533 7.194 1.00 16.32 C ATOM 762 CE LYS A 48 -0.216 -12.432 6.020 1.00 20.04 C ATOM 763 NZ LYS A 48 0.872 -13.377 5.682 1.00 23.92 N ATOM 0 H LYS A 48 1.720 -6.945 9.066 1.00 10.47 H new ATOM 0 HA LYS A 48 3.638 -9.082 8.205 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.711 -10.182 9.026 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.641 -9.000 8.297 1.00 9.74 H new ATOM 0 HG2 LYS A 48 1.064 -9.925 6.094 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.220 -11.059 6.764 1.00 14.14 H new ATOM 0 HD2 LYS A 48 0.467 -12.177 8.025 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.711 -10.987 7.508 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.119 -12.988 6.271 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.451 -11.818 5.151 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 0.578 -13.974 4.883 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 1.726 -12.844 5.420 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 1.078 -13.978 6.505 1.00 23.92 H new ATOM 777 N GLN A 49 3.399 -7.906 5.924 1.00 8.89 N ATOM 778 CA GLN A 49 3.267 -7.210 4.682 1.00 7.18 C ATOM 779 C GLN A 49 2.466 -7.951 3.667 1.00 8.23 C ATOM 780 O GLN A 49 2.165 -9.122 3.893 1.00 9.70 O ATOM 781 CB GLN A 49 4.625 -6.913 4.024 1.00 11.67 C ATOM 782 CG GLN A 49 5.554 -8.073 3.659 1.00 15.82 C ATOM 783 CD GLN A 49 7.017 -7.656 3.699 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.503 -7.121 4.694 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.698 -7.613 2.523 1.00 20.67 N ATOM 0 H GLN A 49 4.149 -8.597 5.949 1.00 8.89 H new ATOM 0 HA GLN A 49 2.757 -6.288 4.962 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.430 -6.351 3.111 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.175 -6.252 4.694 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.392 -8.900 4.350 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.307 -8.438 2.662 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.306 -8.053 1.690 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.601 -7.141 2.473 1.00 20.67 H new ATOM 794 N LEU A 50 2.081 -7.201 2.619 1.00 6.51 N ATOM 795 CA LEU A 50 1.024 -7.608 1.746 1.00 7.41 C ATOM 796 C LEU A 50 1.532 -8.121 0.443 1.00 8.27 C ATOM 797 O LEU A 50 2.647 -7.837 0.005 1.00 8.34 O ATOM 798 CB LEU A 50 -0.033 -6.498 1.622 1.00 7.13 C ATOM 799 CG LEU A 50 -0.680 -6.025 2.935 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.013 -7.049 4.033 1.00 9.11 C ATOM 801 CD2 LEU A 50 0.169 -4.899 3.547 1.00 8.14 C ATOM 0 H LEU A 50 2.505 -6.306 2.375 1.00 6.51 H new ATOM 0 HA LEU A 50 0.516 -8.464 2.192 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.429 -5.637 1.139 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.823 -6.850 0.958 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.668 -5.710 2.597 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.462 -6.537 4.884 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.714 -7.787 3.642 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -0.099 -7.550 4.352 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.289 -4.563 4.478 1.00 8.14 H new ATOM 0 HD22 LEU A 50 1.174 -5.270 3.750 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.225 -4.064 2.848 1.00 8.14 H new ATOM 813 N GLU A 51 0.681 -8.942 -0.197 1.00 9.43 N ATOM 814 CA GLU A 51 1.080 -9.616 -1.393 1.00 11.90 C ATOM 815 C GLU A 51 0.578 -8.931 -2.618 1.00 11.49 C ATOM 816 O GLU A 51 -0.488 -8.324 -2.700 1.00 9.88 O ATOM 817 CB GLU A 51 0.755 -11.109 -1.570 1.00 16.56 C ATOM 818 CG GLU A 51 1.313 -11.964 -0.432 1.00 26.06 C ATOM 819 CD GLU A 51 1.165 -13.469 -0.609 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.619 -13.994 -1.660 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.555 -14.236 0.183 1.00 33.44 O ATOM 0 H GLU A 51 -0.272 -9.138 0.109 1.00 9.43 H new ATOM 0 HA GLU A 51 2.161 -9.564 -1.262 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.326 -11.239 -1.623 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.165 -11.458 -2.518 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.371 -11.732 -0.312 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.816 -11.674 0.494 1.00 26.06 H new ATOM 828 N ASP A 52 1.407 -8.883 -3.676 1.00 12.71 N ATOM 829 CA ASP A 52 1.370 -7.887 -4.701 1.00 16.56 C ATOM 830 C ASP A 52 0.199 -7.951 -5.619 1.00 15.83 C ATOM 831 O ASP A 52 -0.509 -6.963 -5.812 1.00 17.21 O ATOM 832 CB ASP A 52 2.709 -7.890 -5.458 1.00 21.05 C ATOM 833 CG ASP A 52 3.895 -7.704 -4.523 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.848 -6.738 -3.715 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.788 -8.583 -4.390 1.00 28.37 O ATOM 0 H ASP A 52 2.141 -9.575 -3.824 1.00 12.71 H new ATOM 0 HA ASP A 52 1.228 -6.931 -4.196 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.818 -8.831 -5.998 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.706 -7.094 -6.202 1.00 21.05 H new ATOM 840 N GLY A 53 -0.051 -9.147 -6.181 1.00 15.00 N ATOM 841 CA GLY A 53 -1.189 -9.528 -6.958 1.00 11.77 C ATOM 842 C GLY A 53 -2.467 -9.998 -6.351 1.00 11.10 C ATOM 843 O GLY A 53 -3.299 -10.583 -7.044 1.00 11.25 O ATOM 0 H GLY A 53 0.608 -9.919 -6.080 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.440 -8.669 -7.581 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.855 -10.320 -7.628 1.00 11.77 H new ATOM 847 N ARG A 54 -2.577 -9.730 -5.038 1.00 8.53 N ATOM 848 CA ARG A 54 -3.747 -9.836 -4.224 1.00 9.05 C ATOM 849 C ARG A 54 -4.327 -8.479 -4.016 1.00 8.96 C ATOM 850 O ARG A 54 -3.618 -7.532 -4.354 1.00 11.60 O ATOM 851 CB ARG A 54 -3.505 -10.440 -2.830 1.00 7.97 C ATOM 852 CG ARG A 54 -2.931 -11.857 -2.867 1.00 9.62 C ATOM 853 CD ARG A 54 -3.926 -12.885 -3.411 1.00 12.20 C ATOM 854 NE ARG A 54 -3.124 -14.123 -3.618 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.697 -15.357 -3.721 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.032 -15.476 -3.976 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.930 -16.486 -3.680 1.00 25.50 N ATOM 0 H ARG A 54 -1.772 -9.410 -4.499 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.413 -10.508 -4.765 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.822 -9.795 -2.277 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.446 -10.453 -2.280 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.033 -11.865 -3.485 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.628 -12.148 -1.861 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.742 -13.056 -2.708 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.375 -12.545 -4.344 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.109 -14.045 -3.685 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.606 -14.641 -4.090 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.456 -16.400 -4.052 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.919 -16.412 -3.571 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.369 -17.404 -3.758 1.00 25.50 H new ATOM 871 N THR A 55 -5.596 -8.347 -3.589 1.00 9.05 N ATOM 872 CA THR A 55 -6.283 -7.094 -3.571 1.00 9.03 C ATOM 873 C THR A 55 -6.483 -6.513 -2.213 1.00 8.15 C ATOM 874 O THR A 55 -6.224 -7.138 -1.185 1.00 5.91 O ATOM 875 CB THR A 55 -7.580 -7.115 -4.325 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.480 -8.047 -3.744 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.470 -7.540 -5.799 1.00 11.71 C ATOM 0 H THR A 55 -6.156 -9.129 -3.249 1.00 9.05 H new ATOM 0 HA THR A 55 -5.596 -6.430 -4.096 1.00 9.03 H new ATOM 0 HB THR A 55 -7.920 -6.081 -4.272 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.028 -8.909 -3.627 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.459 -7.524 -6.257 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.813 -6.850 -6.329 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.060 -8.548 -5.857 1.00 11.71 H new ATOM 885 N LEU A 56 -6.979 -5.267 -2.113 1.00 6.91 N ATOM 886 CA LEU A 56 -7.481 -4.704 -0.898 1.00 8.29 C ATOM 887 C LEU A 56 -8.692 -5.376 -0.348 1.00 8.05 C ATOM 888 O LEU A 56 -8.833 -5.554 0.861 1.00 10.17 O ATOM 889 CB LEU A 56 -7.831 -3.235 -1.186 1.00 6.60 C ATOM 890 CG LEU A 56 -6.554 -2.446 -1.519 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.009 -1.014 -1.848 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.545 -2.588 -0.367 1.00 9.85 C ATOM 0 H LEU A 56 -7.032 -4.628 -2.907 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.703 -4.829 -0.145 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.532 -3.176 -2.018 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.326 -2.794 -0.321 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.011 -2.822 -2.386 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.140 -0.404 -2.094 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.690 -1.035 -2.699 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.520 -0.587 -0.985 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.640 -2.028 -0.605 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.983 -2.197 0.551 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.295 -3.640 -0.230 1.00 9.85 H new ATOM 904 N SER A 57 -9.595 -5.857 -1.221 1.00 8.92 N ATOM 905 CA SER A 57 -10.559 -6.831 -0.813 1.00 9.00 C ATOM 906 C SER A 57 -10.035 -8.071 -0.174 1.00 9.44 C ATOM 907 O SER A 57 -10.514 -8.356 0.923 1.00 10.91 O ATOM 908 CB SER A 57 -11.464 -7.205 -1.998 1.00 10.32 C ATOM 909 OG SER A 57 -12.664 -7.809 -1.538 1.00 13.59 O ATOM 0 H SER A 57 -9.658 -5.575 -2.199 1.00 8.92 H new ATOM 0 HA SER A 57 -11.113 -6.332 -0.018 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.699 -6.313 -2.579 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.937 -7.889 -2.663 1.00 10.32 H new ATOM 0 HG SER A 57 -13.229 -8.039 -2.305 1.00 13.59 H new ATOM 915 N ASP A 58 -9.007 -8.793 -0.654 1.00 9.11 N ATOM 916 CA ASP A 58 -8.458 -9.936 0.007 1.00 7.91 C ATOM 917 C ASP A 58 -7.929 -9.690 1.378 1.00 9.12 C ATOM 918 O ASP A 58 -8.093 -10.495 2.293 1.00 8.61 O ATOM 919 CB ASP A 58 -7.284 -10.458 -0.838 1.00 8.41 C ATOM 920 CG ASP A 58 -7.840 -10.948 -2.167 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.642 -11.918 -2.227 1.00 10.05 O ATOM 922 OD2 ASP A 58 -7.361 -10.454 -3.223 1.00 11.70 O ATOM 0 H ASP A 58 -8.541 -8.573 -1.534 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.284 -10.639 0.110 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.551 -9.668 -1.000 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.771 -11.267 -0.318 1.00 8.41 H new ATOM 927 N TYR A 59 -7.299 -8.533 1.650 1.00 7.97 N ATOM 928 CA TYR A 59 -6.920 -8.267 3.003 1.00 8.45 C ATOM 929 C TYR A 59 -7.933 -7.541 3.819 1.00 10.98 C ATOM 930 O TYR A 59 -7.591 -7.089 4.911 1.00 12.95 O ATOM 931 CB TYR A 59 -5.679 -7.359 2.990 1.00 7.94 C ATOM 932 CG TYR A 59 -4.528 -8.141 2.456 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.000 -9.185 3.179 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.907 -7.796 1.279 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.122 -10.064 2.589 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.958 -8.600 0.693 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.637 -9.773 1.336 1.00 6.76 C ATOM 938 OH TYR A 59 -1.660 -10.558 0.688 1.00 7.63 O ATOM 0 H TYR A 59 -7.061 -7.812 0.969 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.768 -9.249 3.451 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.859 -6.480 2.372 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.460 -7.002 3.996 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.276 -9.315 4.215 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.173 -6.865 0.800 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.819 -10.966 3.100 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.483 -8.321 -0.236 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.962 -10.772 -0.220 1.00 7.63 H new ATOM 948 N ASN A 60 -9.192 -7.408 3.365 1.00 12.38 N ATOM 949 CA ASN A 60 -10.251 -6.626 3.924 1.00 13.94 C ATOM 950 C ASN A 60 -9.946 -5.224 4.328 1.00 14.16 C ATOM 951 O ASN A 60 -10.346 -4.749 5.389 1.00 14.26 O ATOM 952 CB ASN A 60 -11.231 -7.388 4.832 1.00 19.23 C ATOM 953 CG ASN A 60 -12.656 -6.855 4.893 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.394 -6.890 3.910 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.056 -6.261 6.049 1.00 24.09 N ATOM 0 H ASN A 60 -9.496 -7.897 2.523 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.838 -6.432 3.026 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.269 -8.425 4.499 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.825 -7.393 5.844 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.981 -5.835 6.110 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.431 -6.241 6.855 1.00 24.09 H new ATOM 962 N ILE A 61 -9.187 -4.454 3.527 1.00 11.08 N ATOM 963 CA ILE A 61 -8.801 -3.108 3.815 1.00 11.78 C ATOM 964 C ILE A 61 -9.802 -2.196 3.194 1.00 13.74 C ATOM 965 O ILE A 61 -9.778 -2.042 1.974 1.00 14.60 O ATOM 966 CB ILE A 61 -7.434 -2.834 3.262 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.409 -3.902 3.680 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.919 -1.469 3.748 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.035 -3.959 3.014 1.00 11.42 C ATOM 0 H ILE A 61 -8.825 -4.788 2.634 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.768 -2.948 4.893 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.536 -2.846 2.177 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.243 -3.787 4.751 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.879 -4.874 3.533 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.926 -1.287 3.337 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.599 -0.684 3.416 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.867 -1.466 4.837 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.457 -4.778 3.443 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.156 -4.122 1.943 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.511 -3.018 3.181 1.00 11.42 H new ATOM 981 N GLN A 62 -10.750 -1.713 4.017 1.00 13.97 N ATOM 982 CA GLN A 62 -11.735 -0.713 3.742 1.00 15.52 C ATOM 983 C GLN A 62 -11.120 0.640 3.849 1.00 13.94 C ATOM 984 O GLN A 62 -9.960 0.856 4.197 1.00 12.15 O ATOM 985 CB GLN A 62 -12.855 -0.870 4.784 1.00 19.53 C ATOM 986 CG GLN A 62 -13.457 -2.276 4.802 1.00 26.38 C ATOM 987 CD GLN A 62 -14.652 -2.363 5.741 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.737 -2.008 5.283 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.528 -2.700 7.053 1.00 32.71 N ATOM 0 H GLN A 62 -10.833 -2.060 4.972 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.134 -0.827 2.734 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.460 -0.636 5.773 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.642 -0.146 4.576 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.765 -2.553 3.794 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.697 -2.994 5.112 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.623 -2.993 7.421 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.340 -2.660 7.669 1.00 32.71 H new ATOM 998 N LYS A 63 -11.898 1.692 3.540 1.00 11.73 N ATOM 999 CA LYS A 63 -11.460 3.051 3.469 1.00 11.97 C ATOM 1000 C LYS A 63 -11.142 3.717 4.764 1.00 10.41 C ATOM 1001 O LYS A 63 -11.766 3.378 5.768 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.437 3.950 2.694 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.858 4.138 3.229 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.835 4.682 2.184 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.195 4.896 2.850 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.102 5.386 1.788 1.00 25.97 N ATOM 0 H LYS A 63 -12.890 1.587 3.327 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.517 2.946 2.933 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.982 4.937 2.614 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.517 3.553 1.682 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.228 3.182 3.599 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.831 4.819 4.079 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.464 5.620 1.772 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.927 3.983 1.353 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.567 3.967 3.282 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.121 5.618 3.663 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.048 5.550 2.188 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.732 6.277 1.399 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.164 4.677 1.030 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.218 4.690 4.682 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.652 5.379 5.800 1.00 10.94 C ATOM 1022 C GLU A 64 -8.650 4.593 6.573 1.00 9.74 C ATOM 1023 O GLU A 64 -8.238 4.965 7.671 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.724 6.098 6.637 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.479 7.170 5.849 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.689 7.793 6.530 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.502 8.420 7.607 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.853 7.644 6.069 1.00 32.61 O ATOM 0 H GLU A 64 -9.846 5.013 3.789 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.034 6.176 5.387 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.436 5.363 7.014 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.251 6.558 7.505 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.779 7.968 5.603 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.807 6.732 4.906 1.00 24.16 H new ATOM 1035 N SER A 65 -8.238 3.457 5.981 1.00 6.85 N ATOM 1036 CA SER A 65 -7.333 2.561 6.632 1.00 6.90 C ATOM 1037 C SER A 65 -5.941 3.091 6.663 1.00 4.72 C ATOM 1038 O SER A 65 -5.460 3.759 5.749 1.00 3.91 O ATOM 1039 CB SER A 65 -7.195 1.095 6.188 1.00 7.28 C ATOM 1040 OG SER A 65 -8.360 0.294 6.314 1.00 10.56 O ATOM 0 H SER A 65 -8.532 3.159 5.051 1.00 6.85 H new ATOM 0 HA SER A 65 -7.851 2.523 7.590 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.879 1.080 5.145 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.397 0.634 6.769 1.00 7.28 H new ATOM 0 HG SER A 65 -8.888 0.352 5.490 1.00 10.56 H new ATOM 1046 N THR A 66 -5.167 2.812 7.727 1.00 4.48 N ATOM 1047 CA THR A 66 -3.782 3.157 7.805 1.00 3.80 C ATOM 1048 C THR A 66 -2.874 2.037 7.430 1.00 4.60 C ATOM 1049 O THR A 66 -2.927 0.926 7.955 1.00 5.33 O ATOM 1050 CB THR A 66 -3.388 3.591 9.186 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.395 4.354 9.834 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.081 4.399 9.118 1.00 3.40 C ATOM 0 H THR A 66 -5.515 2.332 8.557 1.00 4.48 H new ATOM 0 HA THR A 66 -3.670 3.974 7.092 1.00 3.80 H new ATOM 0 HB THR A 66 -3.245 2.688 9.780 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.087 4.609 10.729 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.795 4.714 10.122 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.291 3.779 8.694 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.229 5.278 8.490 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.991 2.226 6.433 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.005 1.271 6.031 1.00 3.85 C ATOM 1062 C LEU A 67 0.300 1.988 6.070 1.00 3.80 C ATOM 1063 O LEU A 67 0.448 3.199 5.910 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.362 0.993 4.561 1.00 7.18 C ATOM 1065 CG LEU A 67 -0.498 0.054 3.701 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -0.552 -1.368 4.284 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -0.844 0.065 2.203 1.00 8.12 C ATOM 0 H LEU A 67 -1.963 3.084 5.882 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.963 0.366 6.637 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.377 0.595 4.548 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.391 1.956 4.052 1.00 7.18 H new ATOM 0 HG LEU A 67 0.522 0.436 3.746 1.00 9.67 H new ATOM 0 HD11 LEU A 67 0.060 -2.034 3.676 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -0.171 -1.357 5.305 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.583 -1.722 4.285 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -0.187 -0.624 1.673 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.880 -0.244 2.067 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.710 1.071 1.806 1.00 8.12 H new ATOM 1079 N HIS A 68 1.381 1.237 6.346 1.00 2.94 N ATOM 1080 CA HIS A 68 2.655 1.800 6.672 1.00 4.17 C ATOM 1081 C HIS A 68 3.675 1.561 5.613 1.00 5.32 C ATOM 1082 O HIS A 68 3.970 0.449 5.179 1.00 7.70 O ATOM 1083 CB HIS A 68 3.227 1.384 8.037 1.00 5.57 C ATOM 1084 CG HIS A 68 2.186 1.378 9.117 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.099 0.398 10.084 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.264 2.334 9.411 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.131 0.800 10.950 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.658 1.981 10.600 1.00 16.30 N ATOM 0 H HIS A 68 1.370 0.217 6.343 1.00 2.94 H new ATOM 0 HA HIS A 68 2.440 2.867 6.738 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.667 0.390 7.955 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.030 2.067 8.314 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.045 3.211 8.820 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.796 0.232 11.805 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.029 2.532 11.114 1.00 16.30 H new ATOM 1096 N LEU A 69 4.259 2.650 5.082 1.00 5.29 N ATOM 1097 CA LEU A 69 5.232 2.661 4.034 1.00 3.97 C ATOM 1098 C LEU A 69 6.522 2.791 4.768 1.00 5.07 C ATOM 1099 O LEU A 69 6.967 3.877 5.137 1.00 4.34 O ATOM 1100 CB LEU A 69 4.984 3.786 3.015 1.00 6.08 C ATOM 1101 CG LEU A 69 6.071 4.086 1.969 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.576 2.809 1.277 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.509 4.999 0.866 1.00 6.87 C ATOM 0 H LEU A 69 4.034 3.590 5.409 1.00 5.29 H new ATOM 0 HA LEU A 69 5.205 1.766 3.413 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.065 3.550 2.479 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.800 4.704 3.574 1.00 6.08 H new ATOM 0 HG LEU A 69 6.891 4.562 2.506 1.00 7.37 H new ATOM 0 HD11 LEU A 69 7.342 3.070 0.547 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.999 2.135 2.022 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.745 2.316 0.771 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.288 5.204 0.132 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.670 4.504 0.377 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.170 5.936 1.307 1.00 6.87 H new ATOM 1115 N VAL A 70 7.154 1.605 4.815 1.00 4.29 N ATOM 1116 CA VAL A 70 8.493 1.415 5.281 1.00 6.26 C ATOM 1117 C VAL A 70 9.454 1.303 4.149 1.00 9.22 C ATOM 1118 O VAL A 70 9.025 1.073 3.019 1.00 9.36 O ATOM 1119 CB VAL A 70 8.384 0.262 6.235 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.632 -0.017 7.090 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.320 0.426 7.334 1.00 8.54 C ATOM 0 H VAL A 70 6.710 0.737 4.514 1.00 4.29 H new ATOM 0 HA VAL A 70 8.925 2.260 5.816 1.00 6.26 H new ATOM 0 HB VAL A 70 8.166 -0.526 5.514 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.443 -0.870 7.742 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.477 -0.239 6.438 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.861 0.860 7.696 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.317 -0.457 7.973 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.549 1.307 7.934 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.338 0.545 6.875 1.00 8.54 H new ATOM 1131 N LEU A 71 10.767 1.364 4.434 1.00 12.71 N ATOM 1132 CA LEU A 71 11.780 1.190 3.439 1.00 16.06 C ATOM 1133 C LEU A 71 11.916 -0.271 3.180 1.00 18.09 C ATOM 1134 O LEU A 71 11.816 -1.036 4.137 1.00 19.26 O ATOM 1135 CB LEU A 71 13.154 1.720 3.882 1.00 17.10 C ATOM 1136 CG LEU A 71 14.249 1.953 2.828 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.750 2.580 1.515 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.456 2.720 3.393 1.00 17.51 C ATOM 0 H LEU A 71 11.132 1.537 5.371 1.00 12.71 H new ATOM 0 HA LEU A 71 11.478 1.751 2.555 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.989 2.666 4.397 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.552 1.022 4.618 1.00 17.10 H new ATOM 0 HG LEU A 71 14.583 0.950 2.563 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.589 2.708 0.831 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.007 1.926 1.059 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.300 3.551 1.723 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.200 2.858 2.608 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.130 3.694 3.759 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.896 2.153 4.214 1.00 17.51 H new