USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 55 THR OG1 : rot 117:sc= 0.567 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.523 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.00817 K(o=0.006,f=-1.9) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -125:sc=-0.00217 (180deg=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -179:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.141) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.42 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.698) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00585 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.84 (180deg=1.83) USER MOD Single : A 31 GLN : amide:sc= -0.725 X(o=-0.72,f=-1.1) 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=-0.41) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.467 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+ 162:sc= 1.28 (180deg=1.09) USER MOD Single : A 65 SER OG : rot 69:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0692 K(o=0.069,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.265 -7.105 -5.166 1.00 9.67 N ATOM 2 CA MET A 1 11.283 -6.965 -3.707 1.00 10.38 C ATOM 3 C MET A 1 9.928 -7.224 -3.052 1.00 9.62 C ATOM 4 O MET A 1 8.913 -6.593 -3.370 1.00 9.62 O ATOM 5 CB MET A 1 11.836 -5.516 -3.386 1.00 13.77 C ATOM 6 CG MET A 1 11.798 -5.151 -1.903 1.00 16.29 C ATOM 7 SD MET A 1 12.251 -3.428 -1.456 1.00 17.17 S ATOM 8 CE MET A 1 10.874 -2.551 -2.157 1.00 16.11 C ATOM 0 H1 MET A 1 12.228 -6.983 -5.538 1.00 9.67 H new ATOM 0 H2 MET A 1 10.913 -8.050 -5.420 1.00 9.67 H new ATOM 0 H3 MET A 1 10.641 -6.381 -5.577 1.00 9.67 H new ATOM 0 HA MET A 1 11.931 -7.730 -3.279 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.864 -5.444 -3.741 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.253 -4.784 -3.945 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.791 -5.343 -1.533 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.468 -5.826 -1.371 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.887 -1.517 -1.811 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.946 -2.571 -3.244 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.944 -3.026 -1.846 1.00 16.11 H new ATOM 20 N GLN A 2 9.885 -8.221 -2.122 1.00 9.27 N ATOM 21 CA GLN A 2 8.664 -8.800 -1.580 1.00 9.07 C ATOM 22 C GLN A 2 8.222 -8.075 -0.322 1.00 8.72 C ATOM 23 O GLN A 2 9.068 -7.855 0.560 1.00 8.22 O ATOM 24 CB GLN A 2 8.904 -10.306 -1.174 1.00 14.46 C ATOM 25 CG GLN A 2 7.646 -10.935 -0.471 1.00 17.01 C ATOM 26 CD GLN A 2 7.729 -12.469 -0.260 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.028 -12.951 0.830 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.578 -13.204 -1.402 1.00 19.49 N ATOM 0 H GLN A 2 10.730 -8.640 -1.733 1.00 9.27 H new ATOM 0 HA GLN A 2 7.904 -8.714 -2.356 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.150 -10.886 -2.063 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.762 -10.369 -0.505 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.508 -10.454 0.498 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.762 -10.710 -1.067 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.328 -12.742 -2.276 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.715 -14.215 -1.380 1.00 19.49 H new ATOM 37 N ILE A 3 6.959 -7.638 -0.276 1.00 5.87 N ATOM 38 CA ILE A 3 6.406 -6.962 0.882 1.00 5.07 C ATOM 39 C ILE A 3 4.986 -7.453 1.119 1.00 4.01 C ATOM 40 O ILE A 3 4.322 -8.113 0.299 1.00 4.61 O ATOM 41 CB ILE A 3 6.453 -5.400 0.837 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.464 -4.822 -0.182 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.914 -4.893 0.527 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.606 -3.310 -0.372 1.00 10.83 C ATOM 0 H ILE A 3 6.298 -7.747 -1.045 1.00 5.87 H new ATOM 0 HA ILE A 3 7.056 -7.224 1.717 1.00 5.07 H new ATOM 0 HB ILE A 3 6.155 -5.044 1.823 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.611 -5.317 -1.142 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.447 -5.047 0.141 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.923 -3.803 0.500 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.593 -5.243 1.305 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.237 -5.282 -0.439 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.877 -2.965 -1.106 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.430 -2.806 0.578 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.612 -3.080 -0.724 1.00 10.83 H new ATOM 56 N PHE A 4 4.505 -7.187 2.352 1.00 4.55 N ATOM 57 CA PHE A 4 3.299 -7.612 2.957 1.00 4.68 C ATOM 58 C PHE A 4 2.473 -6.428 3.226 1.00 5.30 C ATOM 59 O PHE A 4 2.927 -5.394 3.678 1.00 5.58 O ATOM 60 CB PHE A 4 3.536 -8.397 4.294 1.00 4.83 C ATOM 61 CG PHE A 4 4.525 -9.568 4.027 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.128 -10.772 3.391 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.890 -9.361 4.334 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.054 -11.752 3.062 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.852 -10.307 3.976 1.00 10.61 C ATOM 66 CZ PHE A 4 6.409 -11.514 3.330 1.00 8.90 C ATOM 0 H PHE A 4 5.041 -6.600 2.991 1.00 4.55 H new ATOM 0 HA PHE A 4 2.801 -8.297 2.270 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.940 -7.730 5.056 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.591 -8.783 4.677 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.085 -10.929 3.158 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.191 -8.462 4.851 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.737 -12.679 2.609 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.899 -10.138 4.178 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.140 -12.256 3.044 1.00 8.90 H new ATOM 76 N VAL A 5 1.181 -6.562 2.991 1.00 4.44 N ATOM 77 CA VAL A 5 0.127 -5.632 3.369 1.00 3.87 C ATOM 78 C VAL A 5 -0.862 -6.384 4.278 1.00 4.93 C ATOM 79 O VAL A 5 -1.234 -7.526 4.060 1.00 6.84 O ATOM 80 CB VAL A 5 -0.679 -5.161 2.085 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.816 -4.202 2.478 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.215 -4.383 1.064 1.00 9.13 C ATOM 0 H VAL A 5 0.813 -7.376 2.499 1.00 4.44 H new ATOM 0 HA VAL A 5 0.570 -4.769 3.866 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.057 -6.076 1.628 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.356 -3.891 1.583 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.501 -4.709 3.157 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.398 -3.325 2.972 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.388 -4.085 0.206 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.627 -3.495 1.544 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.029 -5.026 0.730 1.00 9.13 H new ATOM 92 N LYS A 6 -1.243 -5.737 5.370 1.00 6.04 N ATOM 93 CA LYS A 6 -2.218 -6.368 6.269 1.00 6.12 C ATOM 94 C LYS A 6 -3.514 -5.561 6.268 1.00 6.57 C ATOM 95 O LYS A 6 -3.573 -4.352 6.559 1.00 5.76 O ATOM 96 CB LYS A 6 -1.753 -6.203 7.709 1.00 7.45 C ATOM 97 CG LYS A 6 -0.341 -6.830 7.994 1.00 11.12 C ATOM 98 CD LYS A 6 -0.262 -8.350 7.747 1.00 14.54 C ATOM 99 CE LYS A 6 -1.224 -9.209 8.630 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.840 -10.607 8.792 1.00 20.55 N ATOM 0 H LYS A 6 -0.913 -4.814 5.654 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.335 -7.402 5.946 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.725 -5.141 7.953 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.485 -6.663 8.373 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.398 -6.332 7.366 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.068 -6.627 9.030 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.483 -8.545 6.698 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.762 -8.680 7.923 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.291 -8.751 9.617 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.222 -9.172 8.193 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.547 -11.096 9.378 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.788 -11.063 7.859 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.090 -10.660 9.255 1.00 20.55 H new ATOM 114 N THR A 7 -4.616 -6.173 5.807 1.00 7.41 N ATOM 115 CA THR A 7 -5.919 -5.457 5.595 1.00 7.48 C ATOM 116 C THR A 7 -6.612 -4.945 6.848 1.00 8.75 C ATOM 117 O THR A 7 -6.191 -5.252 7.953 1.00 8.58 O ATOM 118 CB THR A 7 -6.898 -6.350 4.810 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.499 -7.395 5.514 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.261 -6.890 3.552 1.00 9.17 C ATOM 0 H THR A 7 -4.648 -7.164 5.569 1.00 7.41 H new ATOM 0 HA THR A 7 -5.642 -4.566 5.031 1.00 7.48 H new ATOM 0 HB THR A 7 -7.713 -5.666 4.575 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.098 -7.890 4.917 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.978 -7.516 3.021 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.960 -6.061 2.912 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.385 -7.483 3.814 1.00 9.17 H new ATOM 128 N LEU A 8 -7.683 -4.129 6.736 1.00 9.84 N ATOM 129 CA LEU A 8 -8.426 -3.568 7.865 1.00 14.15 C ATOM 130 C LEU A 8 -9.005 -4.611 8.777 1.00 17.37 C ATOM 131 O LEU A 8 -8.892 -4.545 10.042 1.00 17.01 O ATOM 132 CB LEU A 8 -9.456 -2.609 7.290 1.00 16.63 C ATOM 133 CG LEU A 8 -10.356 -1.773 8.247 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.390 -0.836 9.004 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.313 -0.907 7.453 1.00 18.59 C ATOM 0 H LEU A 8 -8.057 -3.841 5.832 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.750 -3.024 8.525 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.924 -1.907 6.649 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.117 -3.190 6.647 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.935 -2.422 8.903 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.955 -0.215 9.699 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.665 -1.432 9.558 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.867 -0.199 8.291 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.934 -0.330 8.137 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.746 -0.228 6.816 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.948 -1.540 6.833 1.00 18.59 H new ATOM 147 N THR A 9 -9.489 -5.729 8.244 1.00 18.33 N ATOM 148 CA THR A 9 -10.149 -6.816 8.987 1.00 19.24 C ATOM 149 C THR A 9 -9.288 -8.004 9.121 1.00 19.48 C ATOM 150 O THR A 9 -9.681 -9.065 9.568 1.00 23.14 O ATOM 151 CB THR A 9 -11.430 -7.265 8.421 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.229 -7.473 7.020 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.392 -6.142 8.609 1.00 19.70 C ATOM 0 H THR A 9 -9.434 -5.917 7.243 1.00 18.33 H new ATOM 0 HA THR A 9 -10.345 -6.362 9.958 1.00 19.24 H new ATOM 0 HB THR A 9 -11.796 -8.179 8.889 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.066 -7.776 6.611 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.364 -6.424 8.204 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.492 -5.922 9.672 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.025 -5.257 8.088 1.00 19.70 H new ATOM 161 N GLY A 10 -7.951 -7.961 8.855 1.00 19.43 N ATOM 162 CA GLY A 10 -7.087 -9.043 9.023 1.00 18.74 C ATOM 163 C GLY A 10 -7.089 -9.929 7.807 1.00 17.62 C ATOM 164 O GLY A 10 -8.095 -10.493 7.433 1.00 19.74 O ATOM 0 H GLY A 10 -7.484 -7.122 8.510 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.077 -8.680 9.211 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.387 -9.620 9.898 1.00 18.74 H new ATOM 168 N LYS A 11 -5.919 -10.073 7.153 1.00 13.56 N ATOM 169 CA LYS A 11 -5.519 -10.942 6.010 1.00 11.91 C ATOM 170 C LYS A 11 -4.200 -10.414 5.570 1.00 10.18 C ATOM 171 O LYS A 11 -4.017 -9.191 5.529 1.00 9.10 O ATOM 172 CB LYS A 11 -6.420 -11.019 4.778 1.00 13.43 C ATOM 173 CG LYS A 11 -5.986 -12.201 3.833 1.00 16.69 C ATOM 174 CD LYS A 11 -6.994 -12.444 2.737 1.00 17.92 C ATOM 175 CE LYS A 11 -7.031 -11.301 1.711 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.227 -11.500 0.863 1.00 21.93 N ATOM 0 H LYS A 11 -5.121 -9.510 7.448 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.552 -11.961 6.395 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.455 -11.159 5.089 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.376 -10.077 4.231 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.016 -11.975 3.390 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.863 -13.110 4.422 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.755 -13.378 2.228 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.984 -12.565 3.178 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.075 -10.335 2.215 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.126 -11.302 1.103 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.426 -10.627 0.334 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.053 -12.278 0.195 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.043 -11.735 1.463 1.00 21.93 H new ATOM 190 N THR A 12 -3.237 -11.242 5.258 1.00 9.63 N ATOM 191 CA THR A 12 -1.961 -10.961 4.671 1.00 9.85 C ATOM 192 C THR A 12 -2.007 -10.985 3.147 1.00 11.66 C ATOM 193 O THR A 12 -2.365 -11.992 2.517 1.00 12.33 O ATOM 194 CB THR A 12 -0.824 -11.984 4.958 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.691 -12.052 6.373 1.00 10.91 O ATOM 196 CG2 THR A 12 0.552 -11.632 4.290 1.00 9.63 C ATOM 0 H THR A 12 -3.345 -12.241 5.431 1.00 9.63 H new ATOM 0 HA THR A 12 -1.749 -9.992 5.123 1.00 9.85 H new ATOM 0 HB THR A 12 -1.099 -12.942 4.516 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.017 -12.689 6.605 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.286 -12.398 4.543 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.431 -11.589 3.208 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.897 -10.665 4.655 1.00 9.63 H new ATOM 204 N ILE A 13 -1.584 -9.885 2.465 1.00 10.42 N ATOM 205 CA ILE A 13 -1.543 -9.871 1.021 1.00 11.84 C ATOM 206 C ILE A 13 -0.025 -9.801 0.736 1.00 10.55 C ATOM 207 O ILE A 13 0.743 -9.042 1.284 1.00 11.92 O ATOM 208 CB ILE A 13 -2.118 -8.566 0.449 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.523 -8.114 0.980 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.143 -8.697 -1.100 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.040 -6.725 0.452 1.00 16.46 C ATOM 0 H ILE A 13 -1.275 -9.019 2.908 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.094 -10.712 0.600 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.458 -7.773 0.800 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.254 -8.878 0.714 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.484 -8.076 2.069 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.547 -7.783 -1.536 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.130 -8.857 -1.468 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.770 -9.543 -1.384 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.019 -6.513 0.883 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.339 -5.942 0.741 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.121 -6.756 -0.635 1.00 16.46 H new ATOM 223 N THR A 14 0.474 -10.745 -0.057 1.00 9.39 N ATOM 224 CA THR A 14 1.857 -10.796 -0.401 1.00 9.63 C ATOM 225 C THR A 14 2.068 -10.082 -1.763 1.00 11.20 C ATOM 226 O THR A 14 1.496 -10.474 -2.797 1.00 11.63 O ATOM 227 CB THR A 14 2.434 -12.114 -0.506 1.00 10.38 C ATOM 228 OG1 THR A 14 2.233 -12.803 0.768 1.00 16.30 O ATOM 229 CG2 THR A 14 4.005 -12.008 -0.784 1.00 11.66 C ATOM 0 H THR A 14 -0.086 -11.490 -0.471 1.00 9.39 H new ATOM 0 HA THR A 14 2.365 -10.306 0.430 1.00 9.63 H new ATOM 0 HB THR A 14 1.961 -12.655 -1.325 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.617 -13.703 0.717 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.429 -13.009 -0.861 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.174 -11.469 -1.716 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.484 -11.473 0.036 1.00 11.66 H new ATOM 237 N LEU A 15 2.912 -9.069 -1.838 1.00 8.29 N ATOM 238 CA LEU A 15 3.167 -8.394 -3.065 1.00 9.03 C ATOM 239 C LEU A 15 4.612 -8.676 -3.527 1.00 8.59 C ATOM 240 O LEU A 15 5.514 -8.991 -2.772 1.00 7.79 O ATOM 241 CB LEU A 15 2.893 -6.842 -2.932 1.00 11.08 C ATOM 242 CG LEU A 15 1.686 -6.319 -2.208 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.685 -4.766 -2.289 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.351 -6.781 -2.781 1.00 15.27 C ATOM 0 H LEU A 15 3.432 -8.703 -1.041 1.00 8.29 H new ATOM 0 HA LEU A 15 2.482 -8.774 -3.823 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.767 -6.406 -2.448 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.855 -6.439 -3.944 1.00 11.08 H new ATOM 0 HG LEU A 15 1.767 -6.707 -1.192 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.812 -4.375 -1.766 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.591 -4.377 -1.824 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.651 -4.456 -3.333 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.463 -6.355 -2.195 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.265 -6.450 -3.816 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.295 -7.869 -2.742 1.00 15.27 H new ATOM 256 N GLU A 16 4.860 -8.552 -4.862 1.00 11.04 N ATOM 257 CA GLU A 16 6.150 -8.392 -5.485 1.00 11.50 C ATOM 258 C GLU A 16 6.255 -7.029 -6.112 1.00 10.13 C ATOM 259 O GLU A 16 5.351 -6.673 -6.877 1.00 9.83 O ATOM 260 CB GLU A 16 6.392 -9.527 -6.540 1.00 17.22 C ATOM 261 CG GLU A 16 7.816 -9.734 -6.953 1.00 23.33 C ATOM 262 CD GLU A 16 8.750 -9.927 -5.752 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.572 -10.841 -4.941 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.745 -9.168 -5.709 1.00 28.90 O ATOM 0 H GLU A 16 4.104 -8.565 -5.546 1.00 11.04 H new ATOM 0 HA GLU A 16 6.926 -8.475 -4.724 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.011 -10.464 -6.133 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.803 -9.303 -7.430 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.880 -10.606 -7.603 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.151 -8.876 -7.536 1.00 23.33 H new ATOM 271 N VAL A 17 7.295 -6.218 -5.755 1.00 8.99 N ATOM 272 CA VAL A 17 7.385 -4.826 -6.224 1.00 8.85 C ATOM 273 C VAL A 17 8.806 -4.445 -6.571 1.00 8.04 C ATOM 274 O VAL A 17 9.763 -5.182 -6.197 1.00 8.99 O ATOM 275 CB VAL A 17 6.787 -3.841 -5.283 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.238 -4.015 -5.122 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.387 -3.958 -3.859 1.00 10.54 C ATOM 0 H VAL A 17 8.065 -6.511 -5.153 1.00 8.99 H new ATOM 0 HA VAL A 17 6.784 -4.786 -7.133 1.00 8.85 H new ATOM 0 HB VAL A 17 7.015 -2.872 -5.727 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.859 -3.269 -4.424 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.755 -3.885 -6.090 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.022 -5.013 -4.740 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.921 -3.220 -3.206 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.201 -4.958 -3.467 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.461 -3.778 -3.901 1.00 10.54 H new ATOM 287 N GLU A 18 9.100 -3.328 -7.207 1.00 7.29 N ATOM 288 CA GLU A 18 10.392 -2.752 -7.357 1.00 7.08 C ATOM 289 C GLU A 18 10.446 -1.611 -6.388 1.00 6.45 C ATOM 290 O GLU A 18 9.404 -1.050 -6.081 1.00 5.28 O ATOM 291 CB GLU A 18 10.742 -2.319 -8.792 1.00 10.28 C ATOM 292 CG GLU A 18 10.858 -3.534 -9.657 1.00 12.65 C ATOM 293 CD GLU A 18 11.972 -4.415 -9.203 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.181 -3.945 -9.276 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.779 -5.613 -8.873 1.00 14.33 O ATOM 0 H GLU A 18 8.377 -2.769 -7.661 1.00 7.29 H new ATOM 0 HA GLU A 18 11.152 -3.504 -7.145 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.973 -1.652 -9.182 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.679 -1.762 -8.799 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.920 -4.089 -9.636 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.027 -3.233 -10.691 1.00 12.65 H new ATOM 302 N PRO A 19 11.589 -1.135 -5.871 1.00 7.24 N ATOM 303 CA PRO A 19 11.676 -0.072 -4.826 1.00 7.07 C ATOM 304 C PRO A 19 11.414 1.348 -5.408 1.00 6.65 C ATOM 305 O PRO A 19 11.133 2.355 -4.708 1.00 6.37 O ATOM 306 CB PRO A 19 13.147 -0.174 -4.329 1.00 7.61 C ATOM 307 CG PRO A 19 13.912 -0.846 -5.512 1.00 8.16 C ATOM 308 CD PRO A 19 12.824 -1.867 -5.954 1.00 7.49 C ATOM 0 HA PRO A 19 10.930 -0.212 -4.043 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.557 0.809 -4.098 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.219 -0.771 -3.420 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.173 -0.140 -6.301 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.838 -1.327 -5.196 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.005 -2.227 -6.967 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.812 -2.741 -5.303 1.00 7.49 H new ATOM 316 N SER A 20 11.521 1.472 -6.744 1.00 6.80 N ATOM 317 CA SER A 20 11.151 2.701 -7.531 1.00 6.28 C ATOM 318 C SER A 20 9.725 2.868 -7.804 1.00 8.45 C ATOM 319 O SER A 20 9.366 4.027 -8.155 1.00 7.26 O ATOM 320 CB SER A 20 11.977 2.608 -8.809 1.00 8.57 C ATOM 321 OG SER A 20 11.739 1.427 -9.567 1.00 11.13 O ATOM 0 H SER A 20 11.872 0.717 -7.333 1.00 6.80 H new ATOM 0 HA SER A 20 11.371 3.593 -6.944 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.763 3.477 -9.432 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.035 2.654 -8.550 1.00 8.57 H new ATOM 0 HG SER A 20 12.300 1.436 -10.371 1.00 11.13 H new ATOM 327 N ASP A 21 8.834 1.866 -7.614 1.00 7.50 N ATOM 328 CA ASP A 21 7.447 1.979 -7.857 1.00 7.70 C ATOM 329 C ASP A 21 6.759 2.937 -6.922 1.00 7.08 C ATOM 330 O ASP A 21 7.119 3.018 -5.709 1.00 8.11 O ATOM 331 CB ASP A 21 6.756 0.645 -7.472 1.00 11.00 C ATOM 332 CG ASP A 21 7.178 -0.472 -8.447 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.660 -0.112 -9.565 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.915 -1.666 -8.117 1.00 18.03 O ATOM 0 H ASP A 21 9.108 0.944 -7.276 1.00 7.50 H new ATOM 0 HA ASP A 21 7.368 2.283 -8.901 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.024 0.369 -6.452 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.673 0.768 -7.494 1.00 11.00 H new ATOM 339 N THR A 22 5.759 3.651 -7.425 1.00 5.37 N ATOM 340 CA THR A 22 4.998 4.597 -6.677 1.00 6.01 C ATOM 341 C THR A 22 3.986 3.912 -5.781 1.00 8.01 C ATOM 342 O THR A 22 3.534 2.812 -6.026 1.00 8.11 O ATOM 343 CB THR A 22 4.330 5.696 -7.552 1.00 8.92 C ATOM 344 OG1 THR A 22 3.500 5.127 -8.485 1.00 10.22 O ATOM 345 CG2 THR A 22 5.418 6.551 -8.243 1.00 9.65 C ATOM 0 H THR A 22 5.460 3.572 -8.397 1.00 5.37 H new ATOM 0 HA THR A 22 5.717 5.118 -6.045 1.00 6.01 H new ATOM 0 HB THR A 22 3.730 6.342 -6.911 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.086 5.831 -9.027 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.944 7.319 -8.854 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.044 7.025 -7.486 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.035 5.913 -8.876 1.00 9.65 H new ATOM 353 N ILE A 23 3.513 4.658 -4.739 1.00 8.32 N ATOM 354 CA ILE A 23 2.433 4.170 -3.873 1.00 9.92 C ATOM 355 C ILE A 23 1.080 3.791 -4.545 1.00 10.01 C ATOM 356 O ILE A 23 0.457 2.795 -4.251 1.00 8.71 O ATOM 357 CB ILE A 23 2.246 5.103 -2.714 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.546 5.365 -1.941 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.055 4.744 -1.784 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.241 4.180 -1.331 1.00 12.30 C ATOM 0 H ILE A 23 3.866 5.583 -4.493 1.00 8.32 H new ATOM 0 HA ILE A 23 2.786 3.196 -3.533 1.00 9.92 H new ATOM 0 HB ILE A 23 1.962 6.051 -3.171 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.247 5.855 -2.617 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.326 6.074 -1.143 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.994 5.471 -0.974 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.128 4.761 -2.357 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.206 3.748 -1.368 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.143 4.512 -0.817 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.575 3.695 -0.618 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.510 3.473 -2.115 1.00 12.30 H new ATOM 372 N GLU A 24 0.762 4.591 -5.567 1.00 9.54 N ATOM 373 CA GLU A 24 -0.356 4.394 -6.445 1.00 11.81 C ATOM 374 C GLU A 24 -0.252 3.069 -7.230 1.00 11.14 C ATOM 375 O GLU A 24 -1.210 2.306 -7.323 1.00 10.62 O ATOM 376 CB GLU A 24 -0.579 5.499 -7.490 1.00 19.24 C ATOM 377 CG GLU A 24 -1.925 5.324 -8.220 1.00 27.76 C ATOM 378 CD GLU A 24 -2.226 6.544 -9.048 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.674 7.592 -8.449 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.950 6.534 -10.306 1.00 36.51 O ATOM 0 H GLU A 24 1.308 5.421 -5.800 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.198 4.397 -5.753 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.553 6.473 -7.002 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.234 5.484 -8.216 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.889 4.441 -8.858 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.722 5.161 -7.495 1.00 27.76 H new ATOM 387 N ASN A 25 0.968 2.843 -7.802 1.00 9.43 N ATOM 388 CA ASN A 25 1.367 1.638 -8.433 1.00 10.96 C ATOM 389 C ASN A 25 1.253 0.419 -7.528 1.00 9.68 C ATOM 390 O ASN A 25 0.848 -0.654 -7.949 1.00 9.33 O ATOM 391 CB ASN A 25 2.725 1.906 -9.080 1.00 16.78 C ATOM 392 CG ASN A 25 3.063 0.776 -10.013 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.930 0.006 -9.740 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.430 0.780 -11.259 1.00 24.70 N ATOM 0 H ASN A 25 1.700 3.553 -7.813 1.00 9.43 H new ATOM 0 HA ASN A 25 0.680 1.348 -9.228 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.701 2.849 -9.626 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.494 2.002 -8.313 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.707 0.107 -11.974 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.691 1.456 -11.454 1.00 24.70 H new ATOM 401 N VAL A 26 1.592 0.570 -6.253 1.00 6.52 N ATOM 402 CA VAL A 26 1.471 -0.487 -5.238 1.00 5.53 C ATOM 403 C VAL A 26 0.030 -0.785 -4.845 1.00 4.42 C ATOM 404 O VAL A 26 -0.361 -1.988 -4.745 1.00 3.40 O ATOM 405 CB VAL A 26 2.395 -0.355 -4.046 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.071 -1.441 -3.021 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.850 -0.302 -4.484 1.00 8.12 C ATOM 0 H VAL A 26 1.966 1.443 -5.882 1.00 6.52 H new ATOM 0 HA VAL A 26 1.839 -1.374 -5.754 1.00 5.53 H new ATOM 0 HB VAL A 26 2.227 0.596 -3.541 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.738 -1.343 -2.164 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.038 -1.333 -2.691 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.206 -2.422 -3.476 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.491 -0.207 -3.607 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.102 -1.217 -5.020 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.002 0.556 -5.139 1.00 8.12 H new ATOM 417 N LYS A 27 -0.776 0.273 -4.740 1.00 2.64 N ATOM 418 CA LYS A 27 -2.211 0.114 -4.679 1.00 4.14 C ATOM 419 C LYS A 27 -2.808 -0.549 -5.961 1.00 5.58 C ATOM 420 O LYS A 27 -3.765 -1.338 -5.848 1.00 4.11 O ATOM 421 CB LYS A 27 -2.952 1.442 -4.465 1.00 3.97 C ATOM 422 CG LYS A 27 -2.660 2.201 -3.120 1.00 7.45 C ATOM 423 CD LYS A 27 -3.353 3.514 -3.090 1.00 9.02 C ATOM 424 CE LYS A 27 -2.839 4.379 -2.023 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.781 5.450 -1.896 1.00 15.47 N ATOM 0 H LYS A 27 -0.452 1.239 -4.696 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.363 -0.539 -3.820 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.705 2.107 -5.292 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.023 1.248 -4.521 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.988 1.593 -2.277 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.586 2.350 -3.008 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.230 4.012 -4.052 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.422 3.357 -2.947 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.744 3.829 -1.087 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.848 4.758 -2.272 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.450 6.119 -1.172 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.871 5.943 -2.807 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.707 5.067 -1.616 1.00 15.47 H new ATOM 439 N ALA A 28 -2.334 -0.290 -7.178 1.00 6.61 N ATOM 440 CA ALA A 28 -2.758 -0.995 -8.361 1.00 7.74 C ATOM 441 C ALA A 28 -2.462 -2.497 -8.336 1.00 9.17 C ATOM 442 O ALA A 28 -3.289 -3.241 -8.796 1.00 11.45 O ATOM 443 CB ALA A 28 -2.013 -0.411 -9.540 1.00 7.68 C ATOM 0 H ALA A 28 -1.634 0.429 -7.361 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.840 -0.879 -8.425 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.314 -0.926 -10.452 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.246 0.650 -9.629 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.940 -0.535 -9.390 1.00 7.68 H new ATOM 449 N LYS A 29 -1.330 -2.967 -7.728 1.00 8.96 N ATOM 450 CA LYS A 29 -1.087 -4.417 -7.378 1.00 7.90 C ATOM 451 C LYS A 29 -2.123 -4.938 -6.393 1.00 6.92 C ATOM 452 O LYS A 29 -2.550 -6.076 -6.481 1.00 6.87 O ATOM 453 CB LYS A 29 0.337 -4.578 -6.671 1.00 10.28 C ATOM 454 CG LYS A 29 1.600 -4.036 -7.476 1.00 14.94 C ATOM 455 CD LYS A 29 1.757 -4.670 -8.824 1.00 19.69 C ATOM 456 CE LYS A 29 3.001 -4.140 -9.683 1.00 22.63 C ATOM 457 NZ LYS A 29 2.969 -2.701 -9.937 1.00 24.98 N ATOM 0 H LYS A 29 -0.556 -2.357 -7.464 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.141 -4.978 -8.311 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.300 -4.065 -5.710 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.495 -5.636 -6.461 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.509 -2.957 -7.598 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.501 -4.216 -6.890 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.859 -5.747 -8.692 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.844 -4.504 -9.395 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.924 -4.387 -9.159 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.024 -4.668 -10.636 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.031 -2.528 -10.961 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.080 -2.304 -9.572 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.773 -2.246 -9.460 1.00 24.98 H new ATOM 471 N ILE A 30 -2.473 -4.170 -5.367 1.00 4.57 N ATOM 472 CA ILE A 30 -3.523 -4.551 -4.476 1.00 5.58 C ATOM 473 C ILE A 30 -4.856 -4.691 -5.166 1.00 7.26 C ATOM 474 O ILE A 30 -5.596 -5.610 -4.875 1.00 9.46 O ATOM 475 CB ILE A 30 -3.576 -3.576 -3.289 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.340 -3.652 -2.342 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.915 -3.671 -2.492 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.300 -2.494 -1.338 1.00 2.00 C ATOM 0 H ILE A 30 -2.032 -3.278 -5.145 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.296 -5.547 -4.095 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.536 -2.588 -3.748 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.358 -4.598 -1.801 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.428 -3.644 -2.939 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.898 -2.961 -1.665 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.749 -3.438 -3.153 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.034 -4.681 -2.100 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.420 -2.594 -0.702 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.253 -1.547 -1.876 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.198 -2.516 -0.721 1.00 2.00 H new ATOM 490 N GLN A 31 -5.121 -3.814 -6.106 1.00 7.06 N ATOM 491 CA GLN A 31 -6.243 -3.866 -6.964 1.00 8.67 C ATOM 492 C GLN A 31 -6.403 -5.107 -7.769 1.00 10.90 C ATOM 493 O GLN A 31 -7.547 -5.671 -7.836 1.00 9.63 O ATOM 494 CB GLN A 31 -6.324 -2.585 -7.942 1.00 9.12 C ATOM 495 CG GLN A 31 -7.584 -2.435 -8.837 1.00 10.76 C ATOM 496 CD GLN A 31 -7.672 -1.177 -9.714 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.698 -0.533 -10.102 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.946 -0.783 -10.020 1.00 14.76 N ATOM 0 H GLN A 31 -4.519 -3.011 -6.288 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.074 -3.861 -6.259 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.241 -1.689 -7.327 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.451 -2.606 -8.594 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.642 -3.307 -9.489 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.462 -2.460 -8.192 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.742 -1.329 -9.690 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.100 0.057 -10.578 1.00 14.76 H new ATOM 507 N ASP A 32 -5.315 -5.685 -8.305 1.00 10.93 N ATOM 508 CA ASP A 32 -5.334 -7.057 -8.897 1.00 14.01 C ATOM 509 C ASP A 32 -5.606 -8.212 -7.950 1.00 14.04 C ATOM 510 O ASP A 32 -6.255 -9.201 -8.317 1.00 13.39 O ATOM 511 CB ASP A 32 -4.093 -7.378 -9.641 1.00 18.01 C ATOM 512 CG ASP A 32 -4.014 -6.547 -10.872 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.914 -6.616 -11.757 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.999 -5.855 -11.056 1.00 25.17 O ATOM 0 H ASP A 32 -4.402 -5.231 -8.346 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.195 -6.981 -9.561 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.223 -7.195 -9.011 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.079 -8.436 -9.904 1.00 18.01 H new ATOM 519 N LYS A 33 -5.059 -8.172 -6.715 1.00 14.22 N ATOM 520 CA LYS A 33 -5.281 -9.192 -5.675 1.00 14.00 C ATOM 521 C LYS A 33 -6.635 -9.242 -5.124 1.00 12.37 C ATOM 522 O LYS A 33 -7.380 -10.200 -5.127 1.00 12.17 O ATOM 523 CB LYS A 33 -4.298 -8.952 -4.534 1.00 18.62 C ATOM 524 CG LYS A 33 -2.869 -9.247 -4.854 1.00 24.00 C ATOM 525 CD LYS A 33 -2.476 -10.705 -4.605 1.00 27.61 C ATOM 526 CE LYS A 33 -1.086 -11.080 -5.123 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.942 -12.500 -4.937 1.00 30.06 N ATOM 0 H LYS A 33 -4.443 -7.418 -6.412 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.127 -10.152 -6.168 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.376 -7.911 -4.221 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.597 -9.564 -3.683 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.681 -9.002 -5.899 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.229 -8.599 -4.255 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.517 -10.902 -3.534 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.214 -11.354 -5.077 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.981 -10.815 -6.175 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.312 -10.538 -4.579 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.007 -12.802 -5.277 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.033 -12.729 -3.927 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.682 -12.997 -5.473 1.00 30.06 H new ATOM 541 N GLU A 34 -7.140 -8.059 -4.754 1.00 10.11 N ATOM 542 CA GLU A 34 -8.369 -7.916 -3.975 1.00 10.07 C ATOM 543 C GLU A 34 -9.527 -7.291 -4.648 1.00 9.32 C ATOM 544 O GLU A 34 -10.681 -7.428 -4.275 1.00 11.61 O ATOM 545 CB GLU A 34 -8.073 -7.052 -2.744 1.00 14.77 C ATOM 546 CG GLU A 34 -6.944 -7.620 -1.831 1.00 18.75 C ATOM 547 CD GLU A 34 -7.315 -8.917 -1.149 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.248 -8.958 -0.283 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.640 -9.923 -1.406 1.00 25.19 O ATOM 0 H GLU A 34 -6.701 -7.169 -4.990 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.659 -8.945 -3.761 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.792 -6.052 -3.073 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.985 -6.949 -2.156 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.048 -7.778 -2.431 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.694 -6.878 -1.072 1.00 18.75 H new ATOM 556 N GLY A 35 -9.312 -6.507 -5.723 1.00 7.22 N ATOM 557 CA GLY A 35 -10.401 -5.877 -6.466 1.00 6.29 C ATOM 558 C GLY A 35 -10.888 -4.519 -6.033 1.00 6.93 C ATOM 559 O GLY A 35 -12.024 -4.173 -6.196 1.00 7.41 O ATOM 0 H GLY A 35 -8.384 -6.299 -6.091 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.087 -5.798 -7.507 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.253 -6.556 -6.441 1.00 6.29 H new ATOM 563 N ILE A 36 -10.016 -3.786 -5.378 1.00 5.86 N ATOM 564 CA ILE A 36 -10.391 -2.445 -4.768 1.00 6.07 C ATOM 565 C ILE A 36 -9.703 -1.326 -5.536 1.00 6.36 C ATOM 566 O ILE A 36 -8.488 -1.415 -5.637 1.00 6.18 O ATOM 567 CB ILE A 36 -9.867 -2.294 -3.323 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.878 -3.565 -2.386 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.496 -1.170 -2.515 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.728 -3.540 -1.337 1.00 9.49 C ATOM 0 H ILE A 36 -9.043 -4.056 -5.233 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.479 -2.394 -4.799 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.832 -2.071 -3.581 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.836 -3.624 -1.869 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.790 -4.464 -2.996 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.059 -1.151 -1.517 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.310 -0.217 -3.011 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.571 -1.335 -2.437 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.780 -4.436 -0.718 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.767 -3.510 -1.851 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.830 -2.657 -0.706 1.00 9.49 H new ATOM 582 N PRO A 37 -10.317 -0.295 -6.092 1.00 8.65 N ATOM 583 CA PRO A 37 -9.657 0.839 -6.760 1.00 9.18 C ATOM 584 C PRO A 37 -8.550 1.479 -5.904 1.00 9.85 C ATOM 585 O PRO A 37 -8.854 1.596 -4.723 1.00 8.51 O ATOM 586 CB PRO A 37 -10.807 1.787 -7.087 1.00 11.42 C ATOM 587 CG PRO A 37 -11.971 0.832 -7.307 1.00 9.27 C ATOM 588 CD PRO A 37 -11.793 -0.173 -6.218 1.00 8.33 C ATOM 0 HA PRO A 37 -9.114 0.538 -7.656 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.003 2.484 -6.272 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.600 2.385 -7.974 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.931 1.342 -7.232 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.932 0.369 -8.293 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.249 0.161 -5.286 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.254 -1.127 -6.474 1.00 8.33 H new ATOM 596 N PRO A 38 -7.415 1.979 -6.345 1.00 8.71 N ATOM 597 CA PRO A 38 -6.516 2.778 -5.513 1.00 9.08 C ATOM 598 C PRO A 38 -7.126 3.983 -4.721 1.00 9.28 C ATOM 599 O PRO A 38 -6.619 4.332 -3.660 1.00 6.50 O ATOM 600 CB PRO A 38 -5.631 3.407 -6.619 1.00 10.31 C ATOM 601 CG PRO A 38 -5.533 2.329 -7.693 1.00 10.81 C ATOM 602 CD PRO A 38 -6.958 1.804 -7.764 1.00 12.00 C ATOM 0 HA PRO A 38 -6.082 2.149 -4.736 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.078 4.320 -7.013 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.647 3.674 -6.235 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.203 2.737 -8.648 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.825 1.546 -7.419 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.570 2.372 -8.465 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.995 0.762 -8.081 1.00 12.00 H new ATOM 610 N ASP A 39 -8.301 4.535 -5.170 1.00 11.20 N ATOM 611 CA ASP A 39 -8.993 5.623 -4.533 1.00 14.96 C ATOM 612 C ASP A 39 -9.710 5.184 -3.289 1.00 13.99 C ATOM 613 O ASP A 39 -10.011 5.909 -2.326 1.00 13.75 O ATOM 614 CB ASP A 39 -10.145 6.159 -5.466 1.00 24.16 C ATOM 615 CG ASP A 39 -9.636 6.797 -6.731 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.728 7.691 -6.697 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.116 6.479 -7.832 1.00 34.22 O ATOM 0 H ASP A 39 -8.775 4.201 -6.009 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.228 6.369 -4.316 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.808 5.333 -5.725 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.741 6.886 -4.915 1.00 24.16 H new ATOM 622 N GLN A 40 -9.988 3.878 -3.226 1.00 11.60 N ATOM 623 CA GLN A 40 -10.691 3.285 -2.087 1.00 10.76 C ATOM 624 C GLN A 40 -9.633 2.663 -1.134 1.00 8.01 C ATOM 625 O GLN A 40 -9.921 2.008 -0.154 1.00 8.96 O ATOM 626 CB GLN A 40 -11.732 2.251 -2.473 1.00 11.14 C ATOM 627 CG GLN A 40 -12.931 2.927 -3.176 1.00 14.85 C ATOM 628 CD GLN A 40 -14.035 1.937 -3.486 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.302 1.055 -2.711 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.613 1.988 -4.722 1.00 18.16 N ATOM 0 H GLN A 40 -9.735 3.210 -3.954 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.249 4.081 -1.594 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.287 1.508 -3.134 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.075 1.722 -1.584 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.323 3.721 -2.541 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.593 3.395 -4.100 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.375 2.743 -5.366 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.283 1.271 -5.002 1.00 18.16 H new ATOM 639 N GLN A 41 -8.357 2.880 -1.346 1.00 6.52 N ATOM 640 CA GLN A 41 -7.277 2.384 -0.478 1.00 3.87 C ATOM 641 C GLN A 41 -6.548 3.479 0.286 1.00 4.79 C ATOM 642 O GLN A 41 -5.909 4.354 -0.344 1.00 6.34 O ATOM 643 CB GLN A 41 -6.303 1.505 -1.326 1.00 4.20 C ATOM 644 CG GLN A 41 -6.943 0.365 -2.221 1.00 3.20 C ATOM 645 CD GLN A 41 -5.828 -0.288 -2.962 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.694 -0.301 -2.519 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.068 -0.957 -4.075 1.00 7.13 N ATOM 0 H GLN A 41 -8.016 3.418 -2.143 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.733 1.773 0.301 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.734 2.167 -1.979 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.590 1.039 -0.645 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.471 -0.360 -1.602 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.673 0.783 -2.914 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.007 -0.966 -4.472 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.314 -1.465 -4.538 1.00 7.13 H new ATOM 656 N ARG A 42 -6.409 3.373 1.622 1.00 5.73 N ATOM 657 CA ARG A 42 -5.376 4.089 2.373 1.00 6.97 C ATOM 658 C ARG A 42 -4.306 3.123 2.806 1.00 7.15 C ATOM 659 O ARG A 42 -4.493 1.939 3.087 1.00 7.33 O ATOM 660 CB ARG A 42 -5.847 4.798 3.604 1.00 13.23 C ATOM 661 CG ARG A 42 -6.710 6.028 3.313 1.00 21.27 C ATOM 662 CD ARG A 42 -7.409 6.672 4.499 1.00 26.14 C ATOM 663 NE ARG A 42 -7.931 8.014 4.056 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.938 8.659 4.636 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.702 8.174 5.587 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.232 9.943 4.284 1.00 36.39 N ATOM 0 H ARG A 42 -7.011 2.789 2.203 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.017 4.851 1.681 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.418 4.101 4.218 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.981 5.103 4.191 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.079 6.781 2.841 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.469 5.745 2.584 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.226 6.041 4.849 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.717 6.788 5.333 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.481 8.458 3.256 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.543 7.229 5.937 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.455 8.742 5.976 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.677 10.416 3.570 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.007 10.431 4.734 1.00 36.39 H new ATOM 680 N LEU A 43 -3.023 3.581 2.856 1.00 4.65 N ATOM 681 CA LEU A 43 -1.933 2.696 3.220 1.00 3.51 C ATOM 682 C LEU A 43 -1.190 3.311 4.387 1.00 5.56 C ATOM 683 O LEU A 43 -0.793 4.471 4.345 1.00 4.19 O ATOM 684 CB LEU A 43 -0.910 2.392 2.107 1.00 3.74 C ATOM 685 CG LEU A 43 -1.556 1.556 0.941 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.516 1.268 -0.229 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.190 0.207 1.278 1.00 6.41 C ATOM 0 H LEU A 43 -2.745 4.540 2.650 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.403 1.741 3.455 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.515 3.327 1.710 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.067 1.842 2.526 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.370 2.223 0.657 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.002 0.689 -1.014 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.162 2.213 -0.642 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.330 0.705 0.166 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.590 -0.244 0.370 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.436 -0.452 1.709 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.997 0.353 1.996 1.00 6.41 H new ATOM 699 N ILE A 44 -0.943 2.474 5.423 1.00 4.58 N ATOM 700 CA ILE A 44 -0.334 2.980 6.597 1.00 5.55 C ATOM 701 C ILE A 44 0.998 2.296 6.698 1.00 5.46 C ATOM 702 O ILE A 44 1.013 1.062 6.729 1.00 6.04 O ATOM 703 CB ILE A 44 -1.133 2.771 7.889 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.588 3.277 7.766 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.517 3.505 9.114 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.695 4.770 7.493 1.00 13.90 C ATOM 0 H ILE A 44 -1.162 1.478 5.437 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.261 4.064 6.505 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.105 1.692 8.044 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.086 2.733 6.963 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.123 3.046 8.687 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.129 3.317 9.996 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.494 3.136 9.288 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.484 4.577 8.917 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.745 5.052 7.419 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.227 5.323 8.307 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.189 5.006 6.557 1.00 13.90 H new ATOM 718 N PHE A 45 2.128 3.032 6.803 1.00 6.75 N ATOM 719 CA PHE A 45 3.467 2.486 7.045 1.00 4.70 C ATOM 720 C PHE A 45 4.035 3.226 8.285 1.00 6.34 C ATOM 721 O PHE A 45 4.177 4.450 8.231 1.00 5.45 O ATOM 722 CB PHE A 45 4.366 2.660 5.760 1.00 5.51 C ATOM 723 CG PHE A 45 5.764 2.181 5.992 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.981 0.776 6.135 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.830 3.075 6.143 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.268 0.310 6.460 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.113 2.630 6.481 1.00 6.64 C ATOM 728 CZ PHE A 45 8.307 1.216 6.699 1.00 6.84 C ATOM 0 H PHE A 45 2.125 4.048 6.718 1.00 6.75 H new ATOM 0 HA PHE A 45 3.442 1.415 7.246 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.925 2.107 4.930 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.385 3.710 5.469 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.167 0.080 5.995 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.659 4.131 5.996 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.455 -0.752 6.525 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.935 3.324 6.576 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.262 0.855 7.050 1.00 6.84 H new ATOM 738 N ALA A 46 4.320 2.517 9.387 1.00 6.53 N ATOM 739 CA ALA A 46 4.863 3.091 10.668 1.00 7.15 C ATOM 740 C ALA A 46 4.693 4.524 11.058 1.00 9.00 C ATOM 741 O ALA A 46 5.573 5.353 10.998 1.00 11.15 O ATOM 742 CB ALA A 46 6.352 2.729 10.733 1.00 8.99 C ATOM 0 H ALA A 46 4.184 1.507 9.433 1.00 6.53 H new ATOM 0 HA ALA A 46 4.199 2.634 11.401 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.784 3.129 11.651 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.464 1.645 10.722 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.868 3.156 9.873 1.00 8.99 H new ATOM 748 N GLY A 47 3.482 4.914 11.289 1.00 9.35 N ATOM 749 CA GLY A 47 3.121 6.303 11.660 1.00 11.68 C ATOM 750 C GLY A 47 2.947 7.308 10.537 1.00 11.14 C ATOM 751 O GLY A 47 2.815 8.518 10.766 1.00 13.93 O ATOM 0 H GLY A 47 2.679 4.288 11.232 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.191 6.268 12.227 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.890 6.681 12.333 1.00 11.68 H new ATOM 755 N LYS A 48 3.066 6.825 9.284 1.00 10.47 N ATOM 756 CA LYS A 48 2.810 7.662 8.129 1.00 8.82 C ATOM 757 C LYS A 48 1.640 7.161 7.401 1.00 7.68 C ATOM 758 O LYS A 48 1.528 5.999 6.981 1.00 6.47 O ATOM 759 CB LYS A 48 3.954 7.851 7.088 1.00 9.74 C ATOM 760 CG LYS A 48 5.077 8.731 7.594 1.00 14.14 C ATOM 761 CD LYS A 48 4.749 10.246 7.420 1.00 16.32 C ATOM 762 CE LYS A 48 5.955 11.204 7.625 1.00 20.04 C ATOM 763 NZ LYS A 48 6.381 11.385 9.029 1.00 23.92 N ATOM 0 H LYS A 48 3.336 5.867 9.063 1.00 10.47 H new ATOM 0 HA LYS A 48 2.671 8.644 8.581 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.358 6.875 6.820 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.541 8.286 6.178 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.260 8.517 8.647 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.995 8.494 7.056 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.345 10.403 6.420 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.964 10.517 8.127 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.801 10.826 7.051 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.699 12.179 7.211 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.189 12.039 9.065 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.593 11.777 9.583 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.661 10.466 9.428 1.00 23.92 H new ATOM 777 N GLN A 49 0.667 7.991 7.199 1.00 8.89 N ATOM 778 CA GLN A 49 -0.321 7.763 6.146 1.00 7.18 C ATOM 779 C GLN A 49 0.203 8.140 4.774 1.00 8.23 C ATOM 780 O GLN A 49 0.668 9.265 4.614 1.00 9.70 O ATOM 781 CB GLN A 49 -1.677 8.581 6.550 1.00 11.67 C ATOM 782 CG GLN A 49 -2.915 8.161 5.691 1.00 15.82 C ATOM 783 CD GLN A 49 -4.320 8.390 6.312 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.867 7.582 7.076 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.946 9.542 5.954 1.00 20.67 N ATOM 0 H GLN A 49 0.519 8.842 7.742 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.546 6.699 6.072 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.897 8.412 7.604 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.501 9.650 6.428 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.871 8.703 4.747 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.819 7.101 5.455 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.485 10.199 5.324 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.877 9.750 6.315 1.00 20.67 H new ATOM 794 N LEU A 50 0.234 7.240 3.799 1.00 6.51 N ATOM 795 CA LEU A 50 1.013 7.368 2.572 1.00 7.41 C ATOM 796 C LEU A 50 0.314 8.160 1.444 1.00 8.27 C ATOM 797 O LEU A 50 -0.881 8.143 1.332 1.00 8.34 O ATOM 798 CB LEU A 50 1.516 5.948 2.044 1.00 7.13 C ATOM 799 CG LEU A 50 2.293 5.120 3.054 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.941 3.881 2.433 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.305 5.987 3.843 1.00 9.11 C ATOM 0 H LEU A 50 -0.300 6.372 3.841 1.00 6.51 H new ATOM 0 HA LEU A 50 1.878 7.967 2.855 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.650 5.373 1.716 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.144 6.106 1.167 1.00 7.13 H new ATOM 0 HG LEU A 50 1.567 4.742 3.774 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.482 3.329 3.202 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.169 3.243 2.004 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.635 4.187 1.650 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.842 5.361 4.556 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.015 6.439 3.150 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.771 6.772 4.379 1.00 9.11 H new ATOM 813 N GLU A 51 1.131 8.863 0.585 1.00 9.43 N ATOM 814 CA GLU A 51 0.686 9.601 -0.580 1.00 11.90 C ATOM 815 C GLU A 51 1.069 8.863 -1.866 1.00 11.49 C ATOM 816 O GLU A 51 2.138 8.294 -1.977 1.00 9.88 O ATOM 817 CB GLU A 51 1.324 11.002 -0.677 1.00 16.56 C ATOM 818 CG GLU A 51 0.859 11.952 0.439 1.00 26.06 C ATOM 819 CD GLU A 51 -0.567 12.442 0.261 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.875 13.188 -0.719 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.448 12.169 1.089 1.00 32.13 O ATOM 0 H GLU A 51 2.141 8.912 0.718 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.395 9.693 -0.470 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.409 10.905 -0.635 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.080 11.440 -1.645 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.942 11.441 1.398 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.528 12.811 0.476 1.00 26.06 H new ATOM 828 N ASP A 52 0.087 8.841 -2.779 1.00 12.71 N ATOM 829 CA ASP A 52 -0.063 8.176 -3.998 1.00 16.56 C ATOM 830 C ASP A 52 1.123 8.380 -4.986 1.00 15.83 C ATOM 831 O ASP A 52 1.678 7.422 -5.522 1.00 17.21 O ATOM 832 CB ASP A 52 -1.463 8.473 -4.702 1.00 21.05 C ATOM 833 CG ASP A 52 -2.619 8.088 -3.809 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.942 8.767 -2.806 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.328 7.092 -4.140 1.00 25.82 O ATOM 0 H ASP A 52 -0.745 9.404 -2.603 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.051 7.120 -3.728 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.530 9.532 -4.951 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.525 7.921 -5.640 1.00 21.05 H new ATOM 840 N GLY A 53 1.576 9.672 -5.136 1.00 15.00 N ATOM 841 CA GLY A 53 2.590 10.000 -6.165 1.00 11.77 C ATOM 842 C GLY A 53 4.035 9.819 -5.827 1.00 11.10 C ATOM 843 O GLY A 53 4.854 9.777 -6.718 1.00 11.25 O ATOM 0 H GLY A 53 1.261 10.464 -4.575 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.377 9.393 -7.045 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.445 11.041 -6.453 1.00 11.77 H new ATOM 847 N ARG A 54 4.316 9.713 -4.547 1.00 8.53 N ATOM 848 CA ARG A 54 5.535 9.289 -3.936 1.00 9.05 C ATOM 849 C ARG A 54 6.006 7.829 -4.474 1.00 8.96 C ATOM 850 O ARG A 54 5.209 7.082 -4.977 1.00 11.60 O ATOM 851 CB ARG A 54 5.447 9.289 -2.410 1.00 7.97 C ATOM 852 CG ARG A 54 4.831 10.604 -1.846 1.00 9.62 C ATOM 853 CD ARG A 54 5.597 11.861 -2.133 1.00 12.20 C ATOM 854 NE ARG A 54 4.852 12.886 -1.316 1.00 18.23 N ATOM 855 CZ ARG A 54 3.931 13.754 -1.719 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.516 13.729 -2.986 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.301 14.591 -0.874 1.00 23.38 N ATOM 0 H ARG A 54 3.616 9.949 -3.844 1.00 8.53 H new ATOM 0 HA ARG A 54 6.290 10.019 -4.227 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.845 8.441 -2.084 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.444 9.151 -1.992 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.825 10.714 -2.251 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.730 10.501 -0.766 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.641 11.779 -1.829 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.592 12.106 -3.195 1.00 12.20 H new ATOM 0 HE ARG A 54 5.086 12.917 -0.324 1.00 18.23 H new ATOM 0 HH11 ARG A 54 3.905 13.047 -3.637 1.00 25.50 H new ATOM 0 HH12 ARG A 54 2.809 14.392 -3.304 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.525 14.575 0.121 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.600 15.241 -1.229 1.00 23.38 H new ATOM 871 N THR A 55 7.236 7.441 -4.119 1.00 9.05 N ATOM 872 CA THR A 55 7.758 6.048 -4.205 1.00 9.03 C ATOM 873 C THR A 55 7.824 5.314 -2.851 1.00 8.15 C ATOM 874 O THR A 55 7.760 5.853 -1.753 1.00 5.91 O ATOM 875 CB THR A 55 9.082 5.989 -4.986 1.00 11.15 C ATOM 876 OG1 THR A 55 10.178 6.571 -4.305 1.00 11.95 O ATOM 877 CG2 THR A 55 9.000 6.680 -6.344 1.00 11.71 C ATOM 0 H THR A 55 7.925 8.097 -3.752 1.00 9.05 H new ATOM 0 HA THR A 55 7.019 5.487 -4.777 1.00 9.03 H new ATOM 0 HB THR A 55 9.248 4.918 -5.103 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.856 5.885 -4.129 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.963 6.606 -6.849 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.234 6.198 -6.952 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.744 7.730 -6.203 1.00 11.71 H new ATOM 885 N LEU A 56 8.005 3.990 -3.001 1.00 6.91 N ATOM 886 CA LEU A 56 8.309 3.194 -1.799 1.00 8.29 C ATOM 887 C LEU A 56 9.552 3.593 -1.036 1.00 8.05 C ATOM 888 O LEU A 56 9.592 3.608 0.209 1.00 10.17 O ATOM 889 CB LEU A 56 8.475 1.682 -2.097 1.00 6.60 C ATOM 890 CG LEU A 56 7.209 1.055 -2.675 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.459 -0.240 -3.364 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.198 0.874 -1.497 1.00 8.64 C ATOM 0 H LEU A 56 7.951 3.475 -3.880 1.00 6.91 H new ATOM 0 HA LEU A 56 7.431 3.402 -1.187 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.298 1.542 -2.798 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.747 1.162 -1.178 1.00 6.60 H new ATOM 0 HG LEU A 56 6.807 1.715 -3.443 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.519 -0.633 -3.752 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.155 -0.085 -4.188 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.886 -0.952 -2.657 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.278 0.427 -1.873 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.635 0.223 -0.740 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.976 1.846 -1.056 1.00 8.64 H new ATOM 904 N SER A 57 10.593 3.975 -1.838 1.00 8.92 N ATOM 905 CA SER A 57 11.849 4.259 -1.253 1.00 9.00 C ATOM 906 C SER A 57 11.883 5.590 -0.544 1.00 9.44 C ATOM 907 O SER A 57 12.743 5.781 0.309 1.00 10.91 O ATOM 908 CB SER A 57 12.980 4.371 -2.336 1.00 10.32 C ATOM 909 OG SER A 57 12.558 5.104 -3.472 1.00 13.59 O ATOM 0 H SER A 57 10.547 4.078 -2.852 1.00 8.92 H new ATOM 0 HA SER A 57 12.008 3.434 -0.559 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.854 4.853 -1.898 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.287 3.371 -2.643 1.00 10.32 H new ATOM 0 HG SER A 57 13.291 5.152 -4.121 1.00 13.59 H new ATOM 915 N ASP A 58 10.970 6.540 -0.887 1.00 9.11 N ATOM 916 CA ASP A 58 10.863 7.807 -0.193 1.00 7.91 C ATOM 917 C ASP A 58 10.411 7.584 1.207 1.00 9.12 C ATOM 918 O ASP A 58 10.707 8.386 2.085 1.00 8.61 O ATOM 919 CB ASP A 58 9.761 8.714 -0.798 1.00 8.41 C ATOM 920 CG ASP A 58 10.121 9.092 -2.177 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.288 9.632 -2.485 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.238 8.936 -3.115 1.00 11.70 O ATOM 0 H ASP A 58 10.302 6.428 -1.650 1.00 9.11 H new ATOM 0 HA ASP A 58 11.848 8.267 -0.268 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.805 8.191 -0.793 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.638 9.608 -0.187 1.00 8.41 H new ATOM 927 N TYR A 59 9.822 6.430 1.498 1.00 7.97 N ATOM 928 CA TYR A 59 9.163 6.153 2.802 1.00 8.45 C ATOM 929 C TYR A 59 9.946 5.237 3.639 1.00 10.98 C ATOM 930 O TYR A 59 9.590 5.072 4.801 1.00 12.95 O ATOM 931 CB TYR A 59 7.717 5.489 2.536 1.00 7.94 C ATOM 932 CG TYR A 59 6.900 6.643 2.181 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.572 7.600 3.126 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.202 6.671 0.959 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.561 8.536 2.975 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.175 7.582 0.759 1.00 6.52 C ATOM 937 CZ TYR A 59 4.837 8.507 1.751 1.00 6.76 C ATOM 938 OH TYR A 59 3.871 9.518 1.532 1.00 7.63 O ATOM 0 H TYR A 59 9.779 5.647 0.845 1.00 7.97 H new ATOM 0 HA TYR A 59 9.073 7.103 3.329 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.750 4.753 1.733 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.336 4.979 3.421 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.142 7.619 4.043 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.467 5.980 0.173 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.334 9.253 3.750 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.630 7.576 -0.174 1.00 6.52 H new ATOM 0 HH TYR A 59 4.322 10.377 1.394 1.00 7.63 H new ATOM 948 N ASN A 60 11.041 4.663 3.099 1.00 12.38 N ATOM 949 CA ASN A 60 11.953 3.724 3.694 1.00 13.94 C ATOM 950 C ASN A 60 11.338 2.328 3.774 1.00 14.16 C ATOM 951 O ASN A 60 11.522 1.585 4.662 1.00 14.26 O ATOM 952 CB ASN A 60 12.556 4.175 5.065 1.00 19.23 C ATOM 953 CG ASN A 60 13.214 5.544 4.906 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.292 5.664 4.358 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.557 6.612 5.405 1.00 24.09 N ATOM 0 H ASN A 60 11.316 4.882 2.141 1.00 12.38 H new ATOM 0 HA ASN A 60 12.808 3.688 3.018 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.772 4.222 5.821 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.289 3.445 5.410 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.964 7.544 5.326 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.653 6.487 5.861 1.00 24.09 H new ATOM 962 N ILE A 61 10.574 1.982 2.739 1.00 11.08 N ATOM 963 CA ILE A 61 9.975 0.629 2.684 1.00 11.78 C ATOM 964 C ILE A 61 10.961 -0.275 1.959 1.00 13.74 C ATOM 965 O ILE A 61 11.522 -0.025 0.834 1.00 14.60 O ATOM 966 CB ILE A 61 8.595 0.641 1.952 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.596 1.574 2.740 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.968 -0.779 1.849 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.333 1.971 2.063 1.00 11.42 C ATOM 0 H ILE A 61 10.354 2.588 1.948 1.00 11.08 H new ATOM 0 HA ILE A 61 9.787 0.265 3.694 1.00 11.78 H new ATOM 0 HB ILE A 61 8.766 1.010 0.941 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.333 1.071 3.671 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.131 2.484 3.010 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.010 -0.717 1.332 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.639 -1.433 1.293 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.815 -1.183 2.850 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.750 2.610 2.726 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.566 2.514 1.147 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.755 1.080 1.819 1.00 11.42 H new ATOM 981 N GLN A 62 11.257 -1.381 2.662 1.00 13.97 N ATOM 982 CA GLN A 62 12.351 -2.288 2.334 1.00 15.52 C ATOM 983 C GLN A 62 11.914 -3.705 2.379 1.00 13.94 C ATOM 984 O GLN A 62 10.755 -3.955 2.756 1.00 12.15 O ATOM 985 CB GLN A 62 13.554 -2.074 3.273 1.00 19.53 C ATOM 986 CG GLN A 62 14.218 -0.641 3.230 1.00 26.38 C ATOM 987 CD GLN A 62 15.644 -0.664 3.704 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.589 -0.417 2.903 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.911 -1.101 4.989 1.00 32.71 N ATOM 0 H GLN A 62 10.729 -1.668 3.486 1.00 13.97 H new ATOM 0 HA GLN A 62 12.662 -2.059 1.315 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.232 -2.273 4.295 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.316 -2.814 3.029 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.181 -0.255 2.211 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.641 0.044 3.851 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.143 -1.299 5.630 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.876 -1.226 5.295 1.00 32.71 H new ATOM 998 N LYS A 63 12.761 -4.681 1.961 1.00 11.73 N ATOM 999 CA LYS A 63 12.559 -6.121 1.997 1.00 11.97 C ATOM 1000 C LYS A 63 11.779 -6.607 3.193 1.00 10.41 C ATOM 1001 O LYS A 63 11.971 -6.305 4.376 1.00 9.59 O ATOM 1002 CB LYS A 63 13.958 -6.644 2.068 1.00 13.73 C ATOM 1003 CG LYS A 63 14.188 -8.140 2.337 1.00 16.98 C ATOM 1004 CD LYS A 63 15.566 -8.588 1.890 1.00 20.19 C ATOM 1005 CE LYS A 63 16.108 -9.810 2.673 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.278 -11.062 2.447 1.00 25.97 N ATOM 0 H LYS A 63 13.669 -4.444 1.562 1.00 11.73 H new ATOM 0 HA LYS A 63 11.974 -6.455 1.140 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.447 -6.402 1.124 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.477 -6.087 2.848 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.068 -8.340 3.402 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.429 -8.724 1.816 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.532 -8.834 0.829 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.263 -7.757 2.003 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.138 -10.002 2.372 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.125 -9.577 3.738 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.828 -11.899 2.727 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.410 -11.011 3.018 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.026 -11.135 1.441 1.00 25.97 H new ATOM 1020 N GLU A 64 10.735 -7.410 2.828 1.00 10.04 N ATOM 1021 CA GLU A 64 9.823 -7.948 3.731 1.00 10.94 C ATOM 1022 C GLU A 64 9.048 -7.042 4.701 1.00 9.74 C ATOM 1023 O GLU A 64 8.486 -7.516 5.658 1.00 9.42 O ATOM 1024 CB GLU A 64 10.472 -9.148 4.546 1.00 18.31 C ATOM 1025 CG GLU A 64 11.066 -10.207 3.527 1.00 24.16 C ATOM 1026 CD GLU A 64 11.796 -11.290 4.191 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.224 -11.998 5.028 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.998 -11.508 3.869 1.00 31.72 O ATOM 0 H GLU A 64 10.550 -7.673 1.860 1.00 10.04 H new ATOM 0 HA GLU A 64 9.040 -8.257 3.038 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.259 -8.775 5.202 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.723 -9.618 5.183 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.254 -10.632 2.937 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.734 -9.699 2.831 1.00 24.16 H new ATOM 1035 N SER A 65 9.036 -5.680 4.444 1.00 6.85 N ATOM 1036 CA SER A 65 8.286 -4.702 5.256 1.00 6.90 C ATOM 1037 C SER A 65 6.776 -5.032 5.270 1.00 4.72 C ATOM 1038 O SER A 65 6.211 -5.600 4.326 1.00 3.91 O ATOM 1039 CB SER A 65 8.334 -3.274 4.720 1.00 7.28 C ATOM 1040 OG SER A 65 9.656 -2.658 4.878 1.00 10.56 O ATOM 0 H SER A 65 9.549 -5.257 3.670 1.00 6.85 H new ATOM 0 HA SER A 65 8.765 -4.767 6.233 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.062 -3.276 3.665 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.591 -2.669 5.240 1.00 7.28 H new ATOM 0 HG SER A 65 10.295 -3.097 4.279 1.00 10.56 H new ATOM 1046 N THR A 66 6.157 -4.677 6.394 1.00 4.48 N ATOM 1047 CA THR A 66 4.792 -4.874 6.656 1.00 3.80 C ATOM 1048 C THR A 66 4.179 -3.502 6.528 1.00 4.60 C ATOM 1049 O THR A 66 4.360 -2.538 7.291 1.00 5.33 O ATOM 1050 CB THR A 66 4.496 -5.374 8.070 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.203 -6.563 8.282 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.038 -5.750 8.151 1.00 3.40 C ATOM 0 H THR A 66 6.647 -4.224 7.165 1.00 4.48 H new ATOM 0 HA THR A 66 4.403 -5.629 5.973 1.00 3.80 H new ATOM 0 HB THR A 66 4.764 -4.601 8.790 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.023 -6.894 9.187 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.810 -6.109 9.155 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.424 -4.877 7.930 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.824 -6.536 7.427 1.00 3.40 H new ATOM 1060 N LEU A 67 3.249 -3.429 5.528 1.00 4.17 N ATOM 1061 CA LEU A 67 2.354 -2.311 5.335 1.00 3.85 C ATOM 1062 C LEU A 67 0.975 -2.698 5.886 1.00 3.80 C ATOM 1063 O LEU A 67 0.649 -3.866 6.103 1.00 5.54 O ATOM 1064 CB LEU A 67 2.189 -2.010 3.754 1.00 7.18 C ATOM 1065 CG LEU A 67 3.342 -1.258 3.005 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.748 -1.966 2.977 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.869 -0.917 1.564 1.00 11.66 C ATOM 0 H LEU A 67 3.121 -4.170 4.839 1.00 4.17 H new ATOM 0 HA LEU A 67 2.753 -1.432 5.842 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.036 -2.964 3.250 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.276 -1.430 3.622 1.00 7.18 H new ATOM 0 HG LEU A 67 3.528 -0.360 3.595 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.457 -1.345 2.430 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.103 -2.110 3.997 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.658 -2.934 2.484 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.665 -0.393 1.034 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.625 -1.838 1.034 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.985 -0.281 1.612 1.00 11.66 H new ATOM 1079 N HIS A 68 0.070 -1.688 6.136 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.308 -1.879 6.587 1.00 4.17 C ATOM 1081 C HIS A 68 -2.190 -1.278 5.506 1.00 5.32 C ATOM 1082 O HIS A 68 -1.794 -0.356 4.746 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.548 -1.210 7.933 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.460 -1.746 8.834 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.741 -1.088 8.928 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.290 -2.873 9.640 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.556 -1.802 9.724 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.943 -2.895 10.176 1.00 16.30 N ATOM 0 H HIS A 68 0.312 -0.704 6.018 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.531 -2.936 6.735 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.493 -0.125 7.850 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.537 -1.450 8.323 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.975 -0.207 8.471 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.046 -3.625 9.810 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.572 -1.526 9.965 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.397 -1.792 5.224 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.301 -1.250 4.196 1.00 3.97 C ATOM 1098 C LEU A 69 -5.590 -0.955 4.879 1.00 5.07 C ATOM 1099 O LEU A 69 -6.043 -1.786 5.675 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.610 -2.276 3.066 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.916 -2.111 2.183 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.959 -0.816 1.434 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.022 -3.317 1.263 1.00 9.96 C ATOM 0 H LEU A 69 -3.778 -2.605 5.708 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.828 -0.379 3.743 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.757 -2.277 2.387 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.652 -3.263 3.527 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.785 -2.073 2.840 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.877 -0.764 0.849 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.931 0.014 2.140 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.100 -0.753 0.766 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.915 -3.225 0.645 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.141 -3.365 0.623 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.086 -4.226 1.861 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.230 0.215 4.642 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.443 0.593 5.283 1.00 6.26 C ATOM 1117 C VAL A 70 -8.411 1.019 4.187 1.00 9.22 C ATOM 1118 O VAL A 70 -8.034 1.875 3.366 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.277 1.798 6.134 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.622 2.220 6.754 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.199 1.517 7.198 1.00 8.54 C ATOM 0 H VAL A 70 -5.885 0.912 3.982 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.778 -0.248 5.891 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.944 2.639 5.526 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.475 3.105 7.373 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.334 2.447 5.960 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.010 1.408 7.368 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.071 2.398 7.828 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.507 0.672 7.814 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.255 1.282 6.706 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.691 0.523 4.079 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.663 0.997 3.136 1.00 16.06 C ATOM 1133 C LEU A 71 -10.867 2.510 3.237 1.00 18.09 C ATOM 1134 O LEU A 71 -10.771 3.145 4.267 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.050 0.316 3.188 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.089 -1.164 2.789 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.532 -1.609 2.602 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.383 -1.429 1.452 1.00 19.57 C ATOM 0 H LEU A 71 -10.041 -0.229 4.673 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.217 0.722 2.180 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.440 0.409 4.202 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.727 0.866 2.534 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.585 -1.708 3.588 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.554 -2.661 2.319 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.079 -1.473 3.535 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.998 -1.012 1.818 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.439 -2.492 1.215 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.870 -0.855 0.663 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.338 -1.129 1.527 1.00 19.57 H new