USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 20 ASN : amide:sc= -0.766 K(o=-1.5,f=-2) USER MOD Set 1.2: A 22 MET CE :methyl -172:sc= -0.703 (180deg=-0.927) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0682) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -25:sc= -0.556 USER MOD Single : A 13 SER OG : rot -82:sc= 0.177 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.03) USER MOD Single : A 18 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.83) USER MOD Single : A 19 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.078) USER MOD Single : A 31 SER OG : rot 180:sc= -0.475 USER MOD Single : A 36 SER OG : rot 75:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ -138:sc= -0.286 (180deg=-2.11!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -55:sc= 0.746 USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00086) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc=-0.00353 (180deg=-0.034) USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= -0.768 (180deg=-2.03!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HE2:sc= 0.381 K(o=0.38,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.188 5.823 0.721 1.00 51.43 N ATOM 2 CA MET A 1 -13.889 6.521 0.731 1.00 51.44 C ATOM 3 C MET A 1 -12.751 5.493 0.898 1.00 13.11 C ATOM 4 O MET A 1 -12.242 5.265 2.006 1.00 41.24 O ATOM 5 CB MET A 1 -13.859 7.620 1.834 1.00 24.15 C ATOM 6 CG MET A 1 -14.938 8.707 1.667 1.00 34.21 C ATOM 7 SD MET A 1 -14.851 9.523 0.055 1.00 14.42 S ATOM 8 CE MET A 1 -16.224 10.681 0.141 1.00 31.13 C ATOM 0 H1 MET A 1 -15.944 6.499 0.490 1.00 51.43 H new ATOM 0 H2 MET A 1 -15.170 5.067 0.007 1.00 51.43 H new ATOM 0 H3 MET A 1 -15.367 5.410 1.658 1.00 51.43 H new ATOM 0 HA MET A 1 -13.743 7.031 -0.221 1.00 51.44 H new ATOM 0 HB2 MET A 1 -13.983 7.146 2.808 1.00 24.15 H new ATOM 0 HB3 MET A 1 -12.877 8.094 1.833 1.00 24.15 H new ATOM 0 HG2 MET A 1 -15.924 8.259 1.792 1.00 34.21 H new ATOM 0 HG3 MET A 1 -14.825 9.452 2.455 1.00 34.21 H new ATOM 0 HE1 MET A 1 -16.282 11.247 -0.789 1.00 31.13 H new ATOM 0 HE2 MET A 1 -17.154 10.132 0.290 1.00 31.13 H new ATOM 0 HE3 MET A 1 -16.070 11.367 0.974 1.00 31.13 H new ATOM 20 N ARG A 2 -12.430 4.815 -0.221 1.00 22.54 N ATOM 21 CA ARG A 2 -11.306 3.865 -0.337 1.00 64.04 C ATOM 22 C ARG A 2 -10.536 4.198 -1.630 1.00 31.13 C ATOM 23 O ARG A 2 -11.157 4.359 -2.693 1.00 24.31 O ATOM 24 CB ARG A 2 -11.799 2.384 -0.398 1.00 15.23 C ATOM 25 CG ARG A 2 -12.745 1.939 0.740 1.00 40.51 C ATOM 26 CD ARG A 2 -13.155 0.456 0.619 1.00 74.45 C ATOM 27 NE ARG A 2 -13.667 0.111 -0.729 1.00 14.31 N ATOM 28 CZ ARG A 2 -14.930 -0.233 -1.029 1.00 20.21 C ATOM 29 NH1 ARG A 2 -15.872 -0.286 -0.089 1.00 62.12 N ATOM 30 NH2 ARG A 2 -15.244 -0.546 -2.277 1.00 65.25 N ATOM 0 H ARG A 2 -12.957 4.915 -1.089 1.00 22.54 H new ATOM 0 HA ARG A 2 -10.670 3.962 0.543 1.00 64.04 H new ATOM 0 HB2 ARG A 2 -12.309 2.230 -1.349 1.00 15.23 H new ATOM 0 HB3 ARG A 2 -10.926 1.731 -0.395 1.00 15.23 H new ATOM 0 HG2 ARG A 2 -12.255 2.100 1.700 1.00 40.51 H new ATOM 0 HG3 ARG A 2 -13.639 2.562 0.730 1.00 40.51 H new ATOM 0 HD2 ARG A 2 -12.296 -0.174 0.849 1.00 74.45 H new ATOM 0 HD3 ARG A 2 -13.921 0.233 1.362 1.00 74.45 H new ATOM 0 HE ARG A 2 -12.999 0.137 -1.499 1.00 14.31 H new ATOM 0 HH11 ARG A 2 -15.640 -0.063 0.879 1.00 62.12 H new ATOM 0 HH12 ARG A 2 -16.826 -0.549 -0.337 1.00 62.12 H new ATOM 0 HH21 ARG A 2 -14.528 -0.525 -3.004 1.00 65.25 H new ATOM 0 HH22 ARG A 2 -16.201 -0.808 -2.512 1.00 65.25 H new ATOM 44 N ILE A 3 -9.199 4.320 -1.543 1.00 12.32 N ATOM 45 CA ILE A 3 -8.344 4.625 -2.714 1.00 61.30 C ATOM 46 C ILE A 3 -7.670 3.325 -3.222 1.00 23.41 C ATOM 47 O ILE A 3 -7.191 2.517 -2.423 1.00 35.10 O ATOM 48 CB ILE A 3 -7.285 5.754 -2.371 1.00 64.43 C ATOM 49 CG1 ILE A 3 -8.029 7.043 -1.862 1.00 4.12 C ATOM 50 CG2 ILE A 3 -6.380 6.076 -3.587 1.00 41.24 C ATOM 51 CD1 ILE A 3 -7.150 8.268 -1.646 1.00 13.21 C ATOM 0 H ILE A 3 -8.681 4.212 -0.671 1.00 12.32 H new ATOM 0 HA ILE A 3 -8.966 5.019 -3.518 1.00 61.30 H new ATOM 0 HB ILE A 3 -6.634 5.385 -1.579 1.00 64.43 H new ATOM 0 HG12 ILE A 3 -8.808 7.299 -2.581 1.00 4.12 H new ATOM 0 HG13 ILE A 3 -8.528 6.806 -0.922 1.00 4.12 H new ATOM 0 HG21 ILE A 3 -5.667 6.854 -3.314 1.00 41.24 H new ATOM 0 HG22 ILE A 3 -5.840 5.178 -3.887 1.00 41.24 H new ATOM 0 HG23 ILE A 3 -6.996 6.423 -4.417 1.00 41.24 H new ATOM 0 HD11 ILE A 3 -7.763 9.098 -1.296 1.00 13.21 H new ATOM 0 HD12 ILE A 3 -6.386 8.041 -0.902 1.00 13.21 H new ATOM 0 HD13 ILE A 3 -6.671 8.542 -2.586 1.00 13.21 H new ATOM 63 N LYS A 4 -7.674 3.111 -4.550 1.00 71.34 N ATOM 64 CA LYS A 4 -7.181 1.868 -5.179 1.00 71.40 C ATOM 65 C LYS A 4 -5.677 2.011 -5.487 1.00 44.14 C ATOM 66 O LYS A 4 -5.286 2.935 -6.199 1.00 25.20 O ATOM 67 CB LYS A 4 -8.008 1.586 -6.470 1.00 41.31 C ATOM 68 CG LYS A 4 -7.738 0.217 -7.134 1.00 64.44 C ATOM 69 CD LYS A 4 -8.658 -0.056 -8.359 1.00 55.40 C ATOM 70 CE LYS A 4 -8.633 -1.522 -8.819 1.00 53.51 C ATOM 71 NZ LYS A 4 -9.521 -1.776 -9.983 1.00 35.15 N ATOM 0 H LYS A 4 -8.020 3.797 -5.221 1.00 71.34 H new ATOM 0 HA LYS A 4 -7.306 1.022 -4.503 1.00 71.40 H new ATOM 0 HB2 LYS A 4 -9.068 1.651 -6.225 1.00 41.31 H new ATOM 0 HB3 LYS A 4 -7.799 2.372 -7.196 1.00 41.31 H new ATOM 0 HG2 LYS A 4 -6.696 0.173 -7.452 1.00 64.44 H new ATOM 0 HG3 LYS A 4 -7.880 -0.573 -6.396 1.00 64.44 H new ATOM 0 HD2 LYS A 4 -9.681 0.221 -8.106 1.00 55.40 H new ATOM 0 HD3 LYS A 4 -8.350 0.583 -9.186 1.00 55.40 H new ATOM 0 HE2 LYS A 4 -7.612 -1.799 -9.080 1.00 53.51 H new ATOM 0 HE3 LYS A 4 -8.935 -2.163 -7.991 1.00 53.51 H new ATOM 0 HZ1 LYS A 4 -9.465 -2.780 -10.250 1.00 35.15 H new ATOM 0 HZ2 LYS A 4 -10.502 -1.540 -9.730 1.00 35.15 H new ATOM 0 HZ3 LYS A 4 -9.219 -1.187 -10.785 1.00 35.15 H new ATOM 85 N GLY A 5 -4.843 1.109 -4.925 1.00 60.44 N ATOM 86 CA GLY A 5 -3.371 1.189 -5.058 1.00 54.22 C ATOM 87 C GLY A 5 -2.781 0.031 -5.844 1.00 33.42 C ATOM 88 O GLY A 5 -3.472 -0.941 -6.098 1.00 4.05 O ATOM 0 H GLY A 5 -5.165 0.314 -4.373 1.00 60.44 H new ATOM 0 HA2 GLY A 5 -3.107 2.126 -5.549 1.00 54.22 H new ATOM 0 HA3 GLY A 5 -2.923 1.212 -4.065 1.00 54.22 H new ATOM 92 N VAL A 6 -1.491 0.154 -6.228 1.00 75.14 N ATOM 93 CA VAL A 6 -0.759 -0.869 -7.016 1.00 15.52 C ATOM 94 C VAL A 6 0.515 -1.288 -6.260 1.00 13.05 C ATOM 95 O VAL A 6 1.351 -0.436 -5.955 1.00 64.31 O ATOM 96 CB VAL A 6 -0.343 -0.325 -8.443 1.00 72.31 C ATOM 97 CG1 VAL A 6 0.360 -1.423 -9.286 1.00 73.01 C ATOM 98 CG2 VAL A 6 -1.557 0.263 -9.198 1.00 2.40 C ATOM 0 H VAL A 6 -0.923 0.970 -6.000 1.00 75.14 H new ATOM 0 HA VAL A 6 -1.427 -1.720 -7.151 1.00 15.52 H new ATOM 0 HB VAL A 6 0.373 0.482 -8.287 1.00 72.31 H new ATOM 0 HG11 VAL A 6 0.632 -1.016 -10.260 1.00 73.01 H new ATOM 0 HG12 VAL A 6 1.259 -1.759 -8.769 1.00 73.01 H new ATOM 0 HG13 VAL A 6 -0.317 -2.266 -9.422 1.00 73.01 H new ATOM 0 HG21 VAL A 6 -1.237 0.628 -10.174 1.00 2.40 H new ATOM 0 HG22 VAL A 6 -2.313 -0.511 -9.330 1.00 2.40 H new ATOM 0 HG23 VAL A 6 -1.978 1.088 -8.623 1.00 2.40 H new ATOM 108 N VAL A 7 0.656 -2.599 -5.973 1.00 54.54 N ATOM 109 CA VAL A 7 1.854 -3.160 -5.320 1.00 45.11 C ATOM 110 C VAL A 7 3.056 -3.106 -6.295 1.00 41.02 C ATOM 111 O VAL A 7 3.181 -3.953 -7.185 1.00 14.13 O ATOM 112 CB VAL A 7 1.624 -4.648 -4.836 1.00 33.44 C ATOM 113 CG1 VAL A 7 2.840 -5.176 -4.030 1.00 2.13 C ATOM 114 CG2 VAL A 7 0.308 -4.793 -4.031 1.00 51.42 C ATOM 0 H VAL A 7 -0.057 -3.296 -6.188 1.00 54.54 H new ATOM 0 HA VAL A 7 2.063 -2.555 -4.438 1.00 45.11 H new ATOM 0 HB VAL A 7 1.527 -5.266 -5.729 1.00 33.44 H new ATOM 0 HG11 VAL A 7 2.649 -6.201 -3.713 1.00 2.13 H new ATOM 0 HG12 VAL A 7 3.731 -5.151 -4.657 1.00 2.13 H new ATOM 0 HG13 VAL A 7 2.996 -4.548 -3.153 1.00 2.13 H new ATOM 0 HG21 VAL A 7 0.186 -5.829 -3.716 1.00 51.42 H new ATOM 0 HG22 VAL A 7 0.346 -4.149 -3.152 1.00 51.42 H new ATOM 0 HG23 VAL A 7 -0.535 -4.502 -4.657 1.00 51.42 H new ATOM 124 N LEU A 8 3.893 -2.074 -6.144 1.00 10.05 N ATOM 125 CA LEU A 8 5.083 -1.867 -6.993 1.00 22.20 C ATOM 126 C LEU A 8 6.215 -2.836 -6.597 1.00 54.05 C ATOM 127 O LEU A 8 6.824 -3.490 -7.458 1.00 1.11 O ATOM 128 CB LEU A 8 5.590 -0.405 -6.870 1.00 34.43 C ATOM 129 CG LEU A 8 4.562 0.726 -7.182 1.00 31.10 C ATOM 130 CD1 LEU A 8 5.230 2.110 -7.067 1.00 73.50 C ATOM 131 CD2 LEU A 8 3.887 0.531 -8.559 1.00 72.44 C ATOM 0 H LEU A 8 3.769 -1.355 -5.431 1.00 10.05 H new ATOM 0 HA LEU A 8 4.794 -2.063 -8.026 1.00 22.20 H new ATOM 0 HB2 LEU A 8 5.959 -0.258 -5.855 1.00 34.43 H new ATOM 0 HB3 LEU A 8 6.442 -0.284 -7.539 1.00 34.43 H new ATOM 0 HG LEU A 8 3.769 0.669 -6.437 1.00 31.10 H new ATOM 0 HD11 LEU A 8 4.498 2.887 -7.288 1.00 73.50 H new ATOM 0 HD12 LEU A 8 5.611 2.247 -6.055 1.00 73.50 H new ATOM 0 HD13 LEU A 8 6.055 2.176 -7.777 1.00 73.50 H new ATOM 0 HD21 LEU A 8 3.179 1.341 -8.735 1.00 72.44 H new ATOM 0 HD22 LEU A 8 4.647 0.537 -9.341 1.00 72.44 H new ATOM 0 HD23 LEU A 8 3.359 -0.422 -8.573 1.00 72.44 H new ATOM 143 N SER A 9 6.482 -2.914 -5.278 1.00 53.33 N ATOM 144 CA SER A 9 7.600 -3.700 -4.712 1.00 13.14 C ATOM 145 C SER A 9 7.269 -4.180 -3.291 1.00 4.24 C ATOM 146 O SER A 9 6.480 -3.548 -2.596 1.00 73.13 O ATOM 147 CB SER A 9 8.900 -2.856 -4.703 1.00 70.21 C ATOM 148 OG SER A 9 9.321 -2.547 -6.020 1.00 54.24 O ATOM 0 H SER A 9 5.927 -2.432 -4.571 1.00 53.33 H new ATOM 0 HA SER A 9 7.752 -4.577 -5.342 1.00 13.14 H new ATOM 0 HB2 SER A 9 8.734 -1.934 -4.146 1.00 70.21 H new ATOM 0 HB3 SER A 9 9.688 -3.403 -4.186 1.00 70.21 H new ATOM 0 HG SER A 9 10.142 -2.013 -5.984 1.00 54.24 H new ATOM 154 N TYR A 10 7.873 -5.315 -2.890 1.00 64.41 N ATOM 155 CA TYR A 10 7.848 -5.809 -1.495 1.00 23.01 C ATOM 156 C TYR A 10 9.217 -5.564 -0.841 1.00 5.42 C ATOM 157 O TYR A 10 10.258 -5.699 -1.497 1.00 20.03 O ATOM 158 CB TYR A 10 7.558 -7.340 -1.421 1.00 42.42 C ATOM 159 CG TYR A 10 6.216 -7.796 -2.007 1.00 74.10 C ATOM 160 CD1 TYR A 10 5.022 -7.628 -1.300 1.00 4.03 C ATOM 161 CD2 TYR A 10 6.142 -8.397 -3.267 1.00 35.32 C ATOM 162 CE1 TYR A 10 3.818 -8.043 -1.830 1.00 30.21 C ATOM 163 CE2 TYR A 10 4.935 -8.805 -3.797 1.00 0.13 C ATOM 164 CZ TYR A 10 3.780 -8.624 -3.076 1.00 4.04 C ATOM 165 OH TYR A 10 2.579 -9.024 -3.605 1.00 33.44 O ATOM 0 H TYR A 10 8.395 -5.919 -3.525 1.00 64.41 H new ATOM 0 HA TYR A 10 7.053 -5.271 -0.978 1.00 23.01 H new ATOM 0 HB2 TYR A 10 8.358 -7.867 -1.941 1.00 42.42 H new ATOM 0 HB3 TYR A 10 7.600 -7.648 -0.376 1.00 42.42 H new ATOM 0 HD1 TYR A 10 5.042 -7.166 -0.324 1.00 4.03 H new ATOM 0 HD2 TYR A 10 7.047 -8.545 -3.837 1.00 35.32 H new ATOM 0 HE1 TYR A 10 2.906 -7.912 -1.267 1.00 30.21 H new ATOM 0 HE2 TYR A 10 4.899 -9.264 -4.774 1.00 0.13 H new ATOM 0 HH TYR A 10 1.946 -9.204 -2.879 1.00 33.44 H new ATOM 175 N ARG A 11 9.202 -5.199 0.436 1.00 61.31 N ATOM 176 CA ARG A 11 10.354 -5.339 1.332 1.00 45.20 C ATOM 177 C ARG A 11 9.804 -6.020 2.596 1.00 53.20 C ATOM 178 O ARG A 11 9.163 -5.374 3.415 1.00 73.41 O ATOM 179 CB ARG A 11 10.978 -3.927 1.636 1.00 73.50 C ATOM 180 CG ARG A 11 12.413 -3.910 2.254 1.00 13.03 C ATOM 181 CD ARG A 11 12.514 -4.467 3.697 1.00 22.30 C ATOM 182 NE ARG A 11 13.867 -4.311 4.264 1.00 64.22 N ATOM 183 CZ ARG A 11 14.358 -4.988 5.321 1.00 61.34 C ATOM 184 NH1 ARG A 11 13.640 -5.912 5.961 1.00 24.02 N ATOM 185 NH2 ARG A 11 15.584 -4.729 5.742 1.00 22.34 N ATOM 0 H ARG A 11 8.383 -4.793 0.887 1.00 61.31 H new ATOM 0 HA ARG A 11 11.159 -5.932 0.897 1.00 45.20 H new ATOM 0 HB2 ARG A 11 11.002 -3.359 0.706 1.00 73.50 H new ATOM 0 HB3 ARG A 11 10.309 -3.399 2.316 1.00 73.50 H new ATOM 0 HG2 ARG A 11 13.076 -4.489 1.611 1.00 13.03 H new ATOM 0 HG3 ARG A 11 12.781 -2.884 2.251 1.00 13.03 H new ATOM 0 HD2 ARG A 11 11.794 -3.953 4.334 1.00 22.30 H new ATOM 0 HD3 ARG A 11 12.242 -5.523 3.696 1.00 22.30 H new ATOM 0 HE ARG A 11 14.484 -3.632 3.818 1.00 64.22 H new ATOM 0 HH11 ARG A 11 12.691 -6.123 5.654 1.00 24.02 H new ATOM 0 HH12 ARG A 11 14.040 -6.407 6.758 1.00 24.02 H new ATOM 0 HH21 ARG A 11 16.148 -4.023 5.268 1.00 22.34 H new ATOM 0 HH22 ARG A 11 15.966 -5.235 6.541 1.00 22.34 H new ATOM 199 N ARG A 12 10.067 -7.319 2.771 1.00 43.53 N ATOM 200 CA ARG A 12 9.580 -8.068 3.940 1.00 23.13 C ATOM 201 C ARG A 12 10.605 -7.966 5.066 1.00 42.55 C ATOM 202 O ARG A 12 11.816 -7.905 4.813 1.00 44.04 O ATOM 203 CB ARG A 12 9.287 -9.538 3.568 1.00 4.21 C ATOM 204 CG ARG A 12 8.200 -9.693 2.486 1.00 72.10 C ATOM 205 CD ARG A 12 7.822 -11.161 2.239 1.00 52.25 C ATOM 206 NE ARG A 12 8.994 -11.979 1.883 1.00 74.23 N ATOM 207 CZ ARG A 12 9.256 -12.482 0.672 1.00 0.20 C ATOM 208 NH1 ARG A 12 8.441 -12.267 -0.358 1.00 23.35 N ATOM 209 NH2 ARG A 12 10.354 -13.183 0.501 1.00 54.33 N ATOM 0 H ARG A 12 10.616 -7.877 2.117 1.00 43.53 H new ATOM 0 HA ARG A 12 8.641 -7.634 4.284 1.00 23.13 H new ATOM 0 HB2 ARG A 12 10.207 -10.006 3.217 1.00 4.21 H new ATOM 0 HB3 ARG A 12 8.977 -10.076 4.464 1.00 4.21 H new ATOM 0 HG2 ARG A 12 7.311 -9.138 2.786 1.00 72.10 H new ATOM 0 HG3 ARG A 12 8.553 -9.250 1.555 1.00 72.10 H new ATOM 0 HD2 ARG A 12 7.352 -11.570 3.134 1.00 52.25 H new ATOM 0 HD3 ARG A 12 7.085 -11.216 1.438 1.00 52.25 H new ATOM 0 HE ARG A 12 9.664 -12.179 2.625 1.00 74.23 H new ATOM 0 HH11 ARG A 12 7.597 -11.709 -0.232 1.00 23.35 H new ATOM 0 HH12 ARG A 12 8.661 -12.661 -1.273 1.00 23.35 H new ATOM 0 HH21 ARG A 12 10.989 -13.335 1.285 1.00 54.33 H new ATOM 0 HH22 ARG A 12 10.571 -13.575 -0.415 1.00 54.33 H new ATOM 223 N SER A 13 10.103 -7.943 6.300 1.00 4.21 N ATOM 224 CA SER A 13 10.906 -7.673 7.495 1.00 42.14 C ATOM 225 C SER A 13 10.532 -8.661 8.619 1.00 44.33 C ATOM 226 O SER A 13 9.360 -9.035 8.767 1.00 20.30 O ATOM 227 CB SER A 13 10.670 -6.205 7.931 1.00 12.12 C ATOM 228 OG SER A 13 11.571 -5.812 8.946 1.00 1.21 O ATOM 0 H SER A 13 9.118 -8.113 6.502 1.00 4.21 H new ATOM 0 HA SER A 13 11.965 -7.811 7.277 1.00 42.14 H new ATOM 0 HB2 SER A 13 10.782 -5.547 7.070 1.00 12.12 H new ATOM 0 HB3 SER A 13 9.647 -6.091 8.288 1.00 12.12 H new ATOM 0 HG SER A 13 11.243 -6.126 9.814 1.00 1.21 H new ATOM 234 N LYS A 14 11.553 -9.081 9.386 1.00 30.20 N ATOM 235 CA LYS A 14 11.405 -9.955 10.562 1.00 32.41 C ATOM 236 C LYS A 14 12.543 -9.669 11.587 1.00 60.14 C ATOM 237 O LYS A 14 12.515 -10.174 12.719 1.00 45.14 O ATOM 238 CB LYS A 14 11.378 -11.455 10.100 1.00 24.33 C ATOM 239 CG LYS A 14 11.145 -12.501 11.223 1.00 44.02 C ATOM 240 CD LYS A 14 9.775 -12.324 11.929 1.00 42.22 C ATOM 241 CE LYS A 14 9.667 -13.108 13.252 1.00 32.20 C ATOM 242 NZ LYS A 14 9.839 -14.570 13.062 1.00 35.50 N ATOM 0 H LYS A 14 12.521 -8.818 9.202 1.00 30.20 H new ATOM 0 HA LYS A 14 10.461 -9.748 11.067 1.00 32.41 H new ATOM 0 HB2 LYS A 14 10.594 -11.572 9.352 1.00 24.33 H new ATOM 0 HB3 LYS A 14 12.324 -11.682 9.608 1.00 24.33 H new ATOM 0 HG2 LYS A 14 11.204 -13.503 10.799 1.00 44.02 H new ATOM 0 HG3 LYS A 14 11.943 -12.420 11.961 1.00 44.02 H new ATOM 0 HD2 LYS A 14 9.610 -11.265 12.127 1.00 42.22 H new ATOM 0 HD3 LYS A 14 8.982 -12.649 11.256 1.00 42.22 H new ATOM 0 HE2 LYS A 14 10.422 -12.744 13.949 1.00 32.20 H new ATOM 0 HE3 LYS A 14 8.695 -12.916 13.706 1.00 32.20 H new ATOM 0 HZ1 LYS A 14 9.758 -15.051 13.980 1.00 35.50 H new ATOM 0 HZ2 LYS A 14 9.103 -14.925 12.419 1.00 35.50 H new ATOM 0 HZ3 LYS A 14 10.777 -14.759 12.654 1.00 35.50 H new ATOM 256 N GLU A 15 13.501 -8.795 11.198 1.00 53.10 N ATOM 257 CA GLU A 15 14.728 -8.528 11.975 1.00 51.54 C ATOM 258 C GLU A 15 14.389 -7.880 13.335 1.00 13.44 C ATOM 259 O GLU A 15 14.709 -8.436 14.392 1.00 10.10 O ATOM 260 CB GLU A 15 15.722 -7.632 11.173 1.00 64.11 C ATOM 261 CG GLU A 15 16.121 -8.168 9.763 1.00 11.23 C ATOM 262 CD GLU A 15 15.347 -7.506 8.601 1.00 20.33 C ATOM 263 OE1 GLU A 15 14.137 -7.744 8.456 1.00 31.30 O ATOM 264 OE2 GLU A 15 15.950 -6.741 7.822 1.00 10.44 O ATOM 0 H GLU A 15 13.442 -8.256 10.334 1.00 53.10 H new ATOM 0 HA GLU A 15 15.215 -9.485 12.163 1.00 51.54 H new ATOM 0 HB2 GLU A 15 15.278 -6.643 11.055 1.00 64.11 H new ATOM 0 HB3 GLU A 15 16.629 -7.506 11.765 1.00 64.11 H new ATOM 0 HG2 GLU A 15 17.189 -8.009 9.613 1.00 11.23 H new ATOM 0 HG3 GLU A 15 15.952 -9.244 9.733 1.00 11.23 H new ATOM 271 N ASN A 16 13.734 -6.711 13.281 1.00 51.34 N ATOM 272 CA ASN A 16 13.196 -6.018 14.467 1.00 41.21 C ATOM 273 C ASN A 16 11.670 -6.185 14.470 1.00 44.13 C ATOM 274 O ASN A 16 11.101 -6.810 15.370 1.00 42.24 O ATOM 275 CB ASN A 16 13.584 -4.511 14.447 1.00 51.44 C ATOM 276 CG ASN A 16 13.025 -3.696 15.627 1.00 44.25 C ATOM 277 OD1 ASN A 16 12.633 -2.536 15.464 1.00 53.12 O ATOM 278 ND2 ASN A 16 13.031 -4.261 16.830 1.00 10.33 N ATOM 0 H ASN A 16 13.560 -6.214 12.408 1.00 51.34 H new ATOM 0 HA ASN A 16 13.619 -6.452 15.373 1.00 41.21 H new ATOM 0 HB2 ASN A 16 14.671 -4.428 14.446 1.00 51.44 H new ATOM 0 HB3 ASN A 16 13.230 -4.069 13.516 1.00 51.44 H new ATOM 0 HD21 ASN A 16 12.708 -3.735 17.642 1.00 10.33 H new ATOM 0 HD22 ASN A 16 13.359 -5.220 16.941 1.00 10.33 H new ATOM 285 N GLN A 17 11.032 -5.635 13.420 1.00 10.40 N ATOM 286 CA GLN A 17 9.575 -5.707 13.211 1.00 55.54 C ATOM 287 C GLN A 17 9.252 -6.864 12.259 1.00 62.31 C ATOM 288 O GLN A 17 9.977 -7.085 11.290 1.00 1.11 O ATOM 289 CB GLN A 17 9.044 -4.372 12.611 1.00 42.55 C ATOM 290 CG GLN A 17 9.291 -3.117 13.478 1.00 61.24 C ATOM 291 CD GLN A 17 8.683 -3.211 14.879 1.00 33.13 C ATOM 292 OE1 GLN A 17 9.344 -3.599 15.845 1.00 2.55 O ATOM 293 NE2 GLN A 17 7.404 -2.891 14.996 1.00 51.21 N ATOM 0 H GLN A 17 11.520 -5.123 12.685 1.00 10.40 H new ATOM 0 HA GLN A 17 9.089 -5.875 14.172 1.00 55.54 H new ATOM 0 HB2 GLN A 17 9.510 -4.219 11.638 1.00 42.55 H new ATOM 0 HB3 GLN A 17 7.972 -4.470 12.439 1.00 42.55 H new ATOM 0 HG2 GLN A 17 10.365 -2.953 13.567 1.00 61.24 H new ATOM 0 HG3 GLN A 17 8.877 -2.247 12.969 1.00 61.24 H new ATOM 0 HE21 GLN A 17 6.881 -2.573 14.180 1.00 51.21 H new ATOM 0 HE22 GLN A 17 6.941 -2.963 15.902 1.00 51.21 H new ATOM 302 N HIS A 18 8.153 -7.589 12.540 1.00 2.52 N ATOM 303 CA HIS A 18 7.667 -8.704 11.692 1.00 21.45 C ATOM 304 C HIS A 18 6.584 -8.187 10.716 1.00 42.31 C ATOM 305 O HIS A 18 5.387 -8.496 10.835 1.00 3.00 O ATOM 306 CB HIS A 18 7.168 -9.892 12.573 1.00 11.51 C ATOM 307 CG HIS A 18 6.109 -9.550 13.596 1.00 74.05 C ATOM 308 ND1 HIS A 18 4.755 -9.646 13.343 1.00 10.22 N ATOM 309 CD2 HIS A 18 6.216 -9.129 14.878 1.00 63.32 C ATOM 310 CE1 HIS A 18 4.082 -9.298 14.422 1.00 4.31 C ATOM 311 NE2 HIS A 18 4.946 -8.983 15.365 1.00 54.44 N ATOM 0 H HIS A 18 7.573 -7.421 13.362 1.00 2.52 H new ATOM 0 HA HIS A 18 8.490 -9.091 11.091 1.00 21.45 H new ATOM 0 HB2 HIS A 18 6.775 -10.668 11.916 1.00 11.51 H new ATOM 0 HB3 HIS A 18 8.025 -10.319 13.093 1.00 11.51 H new ATOM 0 HD2 HIS A 18 7.134 -8.943 15.416 1.00 63.32 H new ATOM 0 HE1 HIS A 18 3.006 -9.275 14.516 1.00 4.31 H new ATOM 0 HE2 HIS A 18 4.706 -8.679 16.309 1.00 54.44 H new ATOM 320 N ASN A 19 7.018 -7.354 9.757 1.00 24.33 N ATOM 321 CA ASN A 19 6.103 -6.642 8.842 1.00 72.52 C ATOM 322 C ASN A 19 6.440 -6.935 7.374 1.00 1.14 C ATOM 323 O ASN A 19 7.581 -6.743 6.946 1.00 4.03 O ATOM 324 CB ASN A 19 6.158 -5.103 9.101 1.00 72.01 C ATOM 325 CG ASN A 19 5.766 -4.676 10.525 1.00 23.00 C ATOM 326 OD1 ASN A 19 6.246 -3.656 11.029 1.00 53.03 O ATOM 327 ND2 ASN A 19 4.883 -5.422 11.191 1.00 42.12 N ATOM 0 H ASN A 19 8.005 -7.154 9.592 1.00 24.33 H new ATOM 0 HA ASN A 19 5.094 -7.003 9.040 1.00 72.52 H new ATOM 0 HB2 ASN A 19 7.169 -4.750 8.896 1.00 72.01 H new ATOM 0 HB3 ASN A 19 5.496 -4.605 8.392 1.00 72.01 H new ATOM 0 HD21 ASN A 19 4.594 -5.153 12.132 1.00 42.12 H new ATOM 0 HD22 ASN A 19 4.496 -6.262 10.760 1.00 42.12 H new ATOM 334 N ASN A 20 5.434 -7.416 6.615 1.00 44.32 N ATOM 335 CA ASN A 20 5.488 -7.437 5.147 1.00 35.34 C ATOM 336 C ASN A 20 5.250 -6.001 4.672 1.00 62.14 C ATOM 337 O ASN A 20 4.105 -5.562 4.540 1.00 43.24 O ATOM 338 CB ASN A 20 4.417 -8.402 4.542 1.00 12.02 C ATOM 339 CG ASN A 20 4.399 -8.431 2.996 1.00 11.33 C ATOM 340 OD1 ASN A 20 5.034 -9.270 2.363 1.00 51.33 O ATOM 341 ND2 ASN A 20 3.680 -7.503 2.380 1.00 11.23 N ATOM 0 H ASN A 20 4.571 -7.797 7.002 1.00 44.32 H new ATOM 0 HA ASN A 20 6.457 -7.807 4.813 1.00 35.34 H new ATOM 0 HB2 ASN A 20 4.601 -9.411 4.912 1.00 12.02 H new ATOM 0 HB3 ASN A 20 3.431 -8.106 4.901 1.00 12.02 H new ATOM 0 HD21 ASN A 20 3.647 -7.477 1.361 1.00 11.23 H new ATOM 0 HD22 ASN A 20 3.160 -6.815 2.925 1.00 11.23 H new ATOM 348 N VAL A 21 6.332 -5.266 4.467 1.00 54.24 N ATOM 349 CA VAL A 21 6.275 -3.869 4.025 1.00 34.31 C ATOM 350 C VAL A 21 6.243 -3.883 2.487 1.00 33.21 C ATOM 351 O VAL A 21 6.759 -4.822 1.869 1.00 43.11 O ATOM 352 CB VAL A 21 7.524 -3.053 4.558 1.00 40.23 C ATOM 353 CG1 VAL A 21 7.357 -1.540 4.335 1.00 51.43 C ATOM 354 CG2 VAL A 21 7.817 -3.369 6.047 1.00 50.12 C ATOM 0 H VAL A 21 7.280 -5.617 4.601 1.00 54.24 H new ATOM 0 HA VAL A 21 5.387 -3.377 4.423 1.00 34.31 H new ATOM 0 HB VAL A 21 8.386 -3.375 3.974 1.00 40.23 H new ATOM 0 HG11 VAL A 21 8.235 -1.017 4.714 1.00 51.43 H new ATOM 0 HG12 VAL A 21 7.248 -1.339 3.269 1.00 51.43 H new ATOM 0 HG13 VAL A 21 6.470 -1.190 4.863 1.00 51.43 H new ATOM 0 HG21 VAL A 21 8.680 -2.792 6.379 1.00 50.12 H new ATOM 0 HG22 VAL A 21 6.950 -3.105 6.652 1.00 50.12 H new ATOM 0 HG23 VAL A 21 8.028 -4.433 6.159 1.00 50.12 H new ATOM 364 N MET A 22 5.585 -2.898 1.869 1.00 2.55 N ATOM 365 CA MET A 22 5.482 -2.822 0.403 1.00 70.12 C ATOM 366 C MET A 22 5.295 -1.370 -0.052 1.00 62.02 C ATOM 367 O MET A 22 4.660 -0.567 0.644 1.00 54.15 O ATOM 368 CB MET A 22 4.322 -3.725 -0.136 1.00 74.54 C ATOM 369 CG MET A 22 2.919 -3.355 0.355 1.00 74.10 C ATOM 370 SD MET A 22 1.594 -4.259 -0.492 1.00 21.22 S ATOM 371 CE MET A 22 1.774 -5.928 0.137 1.00 30.34 C ATOM 0 H MET A 22 5.113 -2.139 2.360 1.00 2.55 H new ATOM 0 HA MET A 22 6.416 -3.197 -0.015 1.00 70.12 H new ATOM 0 HB2 MET A 22 4.330 -3.685 -1.225 1.00 74.54 H new ATOM 0 HB3 MET A 22 4.527 -4.758 0.147 1.00 74.54 H new ATOM 0 HG2 MET A 22 2.854 -3.550 1.425 1.00 74.10 H new ATOM 0 HG3 MET A 22 2.764 -2.285 0.216 1.00 74.10 H new ATOM 0 HE1 MET A 22 1.113 -6.598 -0.414 1.00 30.34 H new ATOM 0 HE2 MET A 22 2.807 -6.254 0.013 1.00 30.34 H new ATOM 0 HE3 MET A 22 1.512 -5.948 1.195 1.00 30.34 H new ATOM 381 N ILE A 23 5.884 -1.043 -1.212 1.00 31.41 N ATOM 382 CA ILE A 23 5.702 0.247 -1.881 1.00 34.13 C ATOM 383 C ILE A 23 4.453 0.151 -2.779 1.00 35.10 C ATOM 384 O ILE A 23 4.399 -0.705 -3.666 1.00 44.52 O ATOM 385 CB ILE A 23 6.972 0.631 -2.733 1.00 50.32 C ATOM 386 CG1 ILE A 23 8.273 0.578 -1.857 1.00 2.32 C ATOM 387 CG2 ILE A 23 6.812 2.022 -3.406 1.00 23.31 C ATOM 388 CD1 ILE A 23 8.289 1.498 -0.647 1.00 40.32 C ATOM 0 H ILE A 23 6.506 -1.676 -1.715 1.00 31.41 H new ATOM 0 HA ILE A 23 5.568 1.030 -1.135 1.00 34.13 H new ATOM 0 HB ILE A 23 7.067 -0.108 -3.529 1.00 50.32 H new ATOM 0 HG12 ILE A 23 8.417 -0.447 -1.514 1.00 2.32 H new ATOM 0 HG13 ILE A 23 9.126 0.825 -2.490 1.00 2.32 H new ATOM 0 HG21 ILE A 23 7.707 2.252 -3.984 1.00 23.31 H new ATOM 0 HG22 ILE A 23 5.946 2.009 -4.068 1.00 23.31 H new ATOM 0 HG23 ILE A 23 6.670 2.783 -2.639 1.00 23.31 H new ATOM 0 HD11 ILE A 23 9.232 1.381 -0.114 1.00 40.32 H new ATOM 0 HD12 ILE A 23 8.183 2.532 -0.975 1.00 40.32 H new ATOM 0 HD13 ILE A 23 7.463 1.241 0.016 1.00 40.32 H new ATOM 400 N ILE A 24 3.452 1.005 -2.512 1.00 44.35 N ATOM 401 CA ILE A 24 2.144 0.989 -3.206 1.00 44.03 C ATOM 402 C ILE A 24 1.901 2.347 -3.881 1.00 64.21 C ATOM 403 O ILE A 24 1.914 3.353 -3.200 1.00 43.33 O ATOM 404 CB ILE A 24 0.971 0.716 -2.179 1.00 40.04 C ATOM 405 CG1 ILE A 24 1.139 -0.668 -1.475 1.00 53.42 C ATOM 406 CG2 ILE A 24 -0.420 0.835 -2.852 1.00 2.43 C ATOM 407 CD1 ILE A 24 0.140 -0.941 -0.353 1.00 14.14 C ATOM 0 H ILE A 24 3.524 1.735 -1.803 1.00 44.35 H new ATOM 0 HA ILE A 24 2.162 0.194 -3.952 1.00 44.03 H new ATOM 0 HB ILE A 24 1.030 1.488 -1.412 1.00 40.04 H new ATOM 0 HG12 ILE A 24 1.047 -1.454 -2.224 1.00 53.42 H new ATOM 0 HG13 ILE A 24 2.148 -0.733 -1.068 1.00 53.42 H new ATOM 0 HG21 ILE A 24 -1.199 0.641 -2.115 1.00 2.43 H new ATOM 0 HG22 ILE A 24 -0.544 1.840 -3.255 1.00 2.43 H new ATOM 0 HG23 ILE A 24 -0.496 0.108 -3.660 1.00 2.43 H new ATOM 0 HD11 ILE A 24 0.334 -1.924 0.076 1.00 14.14 H new ATOM 0 HD12 ILE A 24 0.245 -0.180 0.421 1.00 14.14 H new ATOM 0 HD13 ILE A 24 -0.873 -0.914 -0.753 1.00 14.14 H new ATOM 419 N LYS A 25 1.671 2.389 -5.207 1.00 44.13 N ATOM 420 CA LYS A 25 1.269 3.644 -5.886 1.00 62.23 C ATOM 421 C LYS A 25 -0.258 3.653 -6.110 1.00 51.52 C ATOM 422 O LYS A 25 -0.758 2.861 -6.914 1.00 71.22 O ATOM 423 CB LYS A 25 2.006 3.846 -7.230 1.00 13.11 C ATOM 424 CG LYS A 25 1.631 5.167 -7.943 1.00 14.21 C ATOM 425 CD LYS A 25 2.354 5.359 -9.291 1.00 64.11 C ATOM 426 CE LYS A 25 1.905 6.637 -10.006 1.00 62.43 C ATOM 427 NZ LYS A 25 2.612 6.834 -11.293 1.00 41.44 N ATOM 0 H LYS A 25 1.754 1.582 -5.826 1.00 44.13 H new ATOM 0 HA LYS A 25 1.551 4.473 -5.237 1.00 62.23 H new ATOM 0 HB2 LYS A 25 3.081 3.830 -7.052 1.00 13.11 H new ATOM 0 HB3 LYS A 25 1.779 3.008 -7.890 1.00 13.11 H new ATOM 0 HG2 LYS A 25 0.554 5.189 -8.110 1.00 14.21 H new ATOM 0 HG3 LYS A 25 1.869 6.005 -7.288 1.00 14.21 H new ATOM 0 HD2 LYS A 25 3.430 5.397 -9.123 1.00 64.11 H new ATOM 0 HD3 LYS A 25 2.161 4.498 -9.932 1.00 64.11 H new ATOM 0 HE2 LYS A 25 0.831 6.593 -10.186 1.00 62.43 H new ATOM 0 HE3 LYS A 25 2.085 7.496 -9.359 1.00 62.43 H new ATOM 0 HZ1 LYS A 25 2.277 7.710 -11.742 1.00 41.44 H new ATOM 0 HZ2 LYS A 25 3.635 6.903 -11.120 1.00 41.44 H new ATOM 0 HZ3 LYS A 25 2.420 6.028 -11.921 1.00 41.44 H new ATOM 441 N PRO A 26 -1.024 4.513 -5.368 1.00 55.22 N ATOM 442 CA PRO A 26 -2.463 4.728 -5.625 1.00 14.10 C ATOM 443 C PRO A 26 -2.721 5.438 -6.976 1.00 61.02 C ATOM 444 O PRO A 26 -2.005 6.380 -7.341 1.00 33.32 O ATOM 445 CB PRO A 26 -2.928 5.571 -4.405 1.00 40.45 C ATOM 446 CG PRO A 26 -1.829 5.437 -3.389 1.00 61.41 C ATOM 447 CD PRO A 26 -0.569 5.301 -4.195 1.00 72.42 C ATOM 0 HA PRO A 26 -3.017 3.794 -5.719 1.00 14.10 H new ATOM 0 HB2 PRO A 26 -3.082 6.614 -4.683 1.00 40.45 H new ATOM 0 HB3 PRO A 26 -3.875 5.203 -4.011 1.00 40.45 H new ATOM 0 HG2 PRO A 26 -1.787 6.308 -2.735 1.00 61.41 H new ATOM 0 HG3 PRO A 26 -1.985 4.567 -2.751 1.00 61.41 H new ATOM 0 HD2 PRO A 26 -0.168 6.271 -4.488 1.00 72.42 H new ATOM 0 HD3 PRO A 26 0.215 4.787 -3.639 1.00 72.42 H new ATOM 455 N LEU A 27 -3.756 4.950 -7.699 1.00 34.35 N ATOM 456 CA LEU A 27 -4.128 5.413 -9.054 1.00 63.52 C ATOM 457 C LEU A 27 -4.513 6.908 -9.064 1.00 71.31 C ATOM 458 O LEU A 27 -4.165 7.637 -9.997 1.00 1.45 O ATOM 459 CB LEU A 27 -5.304 4.549 -9.607 1.00 53.33 C ATOM 460 CG LEU A 27 -5.011 3.019 -9.782 1.00 34.01 C ATOM 461 CD1 LEU A 27 -6.266 2.263 -10.269 1.00 74.41 C ATOM 462 CD2 LEU A 27 -3.813 2.774 -10.729 1.00 20.11 C ATOM 0 H LEU A 27 -4.366 4.211 -7.350 1.00 34.35 H new ATOM 0 HA LEU A 27 -3.256 5.295 -9.698 1.00 63.52 H new ATOM 0 HB2 LEU A 27 -6.157 4.661 -8.937 1.00 53.33 H new ATOM 0 HB3 LEU A 27 -5.603 4.954 -10.574 1.00 53.33 H new ATOM 0 HG LEU A 27 -4.741 2.625 -8.802 1.00 34.01 H new ATOM 0 HD11 LEU A 27 -6.032 1.204 -10.381 1.00 74.41 H new ATOM 0 HD12 LEU A 27 -7.068 2.382 -9.541 1.00 74.41 H new ATOM 0 HD13 LEU A 27 -6.585 2.668 -11.229 1.00 74.41 H new ATOM 0 HD21 LEU A 27 -3.639 1.702 -10.826 1.00 20.11 H new ATOM 0 HD22 LEU A 27 -4.032 3.197 -11.710 1.00 20.11 H new ATOM 0 HD23 LEU A 27 -2.922 3.250 -10.319 1.00 20.11 H new ATOM 474 N ASP A 28 -5.225 7.341 -8.009 1.00 70.51 N ATOM 475 CA ASP A 28 -5.712 8.732 -7.863 1.00 61.20 C ATOM 476 C ASP A 28 -4.589 9.698 -7.414 1.00 20.13 C ATOM 477 O ASP A 28 -4.604 10.892 -7.743 1.00 3.01 O ATOM 478 CB ASP A 28 -6.875 8.761 -6.828 1.00 31.50 C ATOM 479 CG ASP A 28 -7.500 10.161 -6.646 1.00 33.31 C ATOM 480 OD1 ASP A 28 -8.418 10.520 -7.421 1.00 3.22 O ATOM 481 OD2 ASP A 28 -7.081 10.902 -5.729 1.00 24.41 O ATOM 0 H ASP A 28 -5.482 6.737 -7.228 1.00 70.51 H new ATOM 0 HA ASP A 28 -6.062 9.070 -8.838 1.00 61.20 H new ATOM 0 HB2 ASP A 28 -7.651 8.064 -7.145 1.00 31.50 H new ATOM 0 HB3 ASP A 28 -6.504 8.409 -5.865 1.00 31.50 H new ATOM 486 N VAL A 29 -3.615 9.152 -6.693 1.00 35.44 N ATOM 487 CA VAL A 29 -2.570 9.926 -6.015 1.00 35.35 C ATOM 488 C VAL A 29 -1.331 10.088 -6.928 1.00 61.05 C ATOM 489 O VAL A 29 -0.655 9.109 -7.254 1.00 60.11 O ATOM 490 CB VAL A 29 -2.215 9.204 -4.667 1.00 55.42 C ATOM 491 CG1 VAL A 29 -0.958 9.779 -4.006 1.00 32.13 C ATOM 492 CG2 VAL A 29 -3.429 9.237 -3.695 1.00 1.33 C ATOM 0 H VAL A 29 -3.524 8.145 -6.559 1.00 35.44 H new ATOM 0 HA VAL A 29 -2.928 10.932 -5.795 1.00 35.35 H new ATOM 0 HB VAL A 29 -1.989 8.165 -4.907 1.00 55.42 H new ATOM 0 HG11 VAL A 29 -0.758 9.244 -3.078 1.00 32.13 H new ATOM 0 HG12 VAL A 29 -0.109 9.667 -4.680 1.00 32.13 H new ATOM 0 HG13 VAL A 29 -1.112 10.836 -3.789 1.00 32.13 H new ATOM 0 HG21 VAL A 29 -3.165 8.732 -2.766 1.00 1.33 H new ATOM 0 HG22 VAL A 29 -3.697 10.272 -3.482 1.00 1.33 H new ATOM 0 HG23 VAL A 29 -4.277 8.730 -4.155 1.00 1.33 H new ATOM 502 N ASN A 30 -1.066 11.347 -7.342 1.00 13.25 N ATOM 503 CA ASN A 30 0.007 11.693 -8.311 1.00 33.14 C ATOM 504 C ASN A 30 1.249 12.250 -7.587 1.00 51.04 C ATOM 505 O ASN A 30 2.379 12.089 -8.067 1.00 24.31 O ATOM 506 CB ASN A 30 -0.488 12.755 -9.349 1.00 72.53 C ATOM 507 CG ASN A 30 -1.660 12.318 -10.241 1.00 42.12 C ATOM 508 OD1 ASN A 30 -1.653 12.549 -11.455 1.00 71.40 O ATOM 509 ND2 ASN A 30 -2.706 11.762 -9.653 1.00 71.21 N ATOM 0 H ASN A 30 -1.591 12.158 -7.014 1.00 13.25 H new ATOM 0 HA ASN A 30 0.272 10.774 -8.833 1.00 33.14 H new ATOM 0 HB2 ASN A 30 -0.782 13.655 -8.809 1.00 72.53 H new ATOM 0 HB3 ASN A 30 0.350 13.028 -9.990 1.00 72.53 H new ATOM 0 HD21 ASN A 30 -3.529 11.515 -10.203 1.00 71.21 H new ATOM 0 HD22 ASN A 30 -2.690 11.580 -8.649 1.00 71.21 H new ATOM 516 N SER A 31 1.031 12.915 -6.435 1.00 31.14 N ATOM 517 CA SER A 31 2.095 13.646 -5.715 1.00 54.21 C ATOM 518 C SER A 31 2.296 13.086 -4.291 1.00 33.22 C ATOM 519 O SER A 31 1.458 12.322 -3.792 1.00 50.23 O ATOM 520 CB SER A 31 1.746 15.156 -5.667 1.00 52.44 C ATOM 521 OG SER A 31 0.602 15.410 -4.872 1.00 15.23 O ATOM 0 H SER A 31 0.120 12.961 -5.979 1.00 31.14 H new ATOM 0 HA SER A 31 3.034 13.512 -6.253 1.00 54.21 H new ATOM 0 HB2 SER A 31 2.595 15.712 -5.269 1.00 52.44 H new ATOM 0 HB3 SER A 31 1.572 15.521 -6.679 1.00 52.44 H new ATOM 0 HG SER A 31 0.415 16.372 -4.865 1.00 15.23 H new ATOM 527 N ARG A 32 3.422 13.493 -3.656 1.00 43.22 N ATOM 528 CA ARG A 32 3.775 13.103 -2.272 1.00 74.24 C ATOM 529 C ARG A 32 2.721 13.610 -1.269 1.00 22.21 C ATOM 530 O ARG A 32 2.406 12.911 -0.314 1.00 21.22 O ATOM 531 CB ARG A 32 5.184 13.651 -1.874 1.00 73.24 C ATOM 532 CG ARG A 32 5.618 13.324 -0.422 1.00 72.33 C ATOM 533 CD ARG A 32 6.982 13.927 -0.034 1.00 10.51 C ATOM 534 NE ARG A 32 7.291 13.670 1.388 1.00 62.21 N ATOM 535 CZ ARG A 32 8.163 14.360 2.142 1.00 64.11 C ATOM 536 NH1 ARG A 32 8.858 15.377 1.647 1.00 25.31 N ATOM 537 NH2 ARG A 32 8.311 14.045 3.421 1.00 21.34 N ATOM 0 H ARG A 32 4.113 14.104 -4.093 1.00 43.22 H new ATOM 0 HA ARG A 32 3.799 12.014 -2.238 1.00 74.24 H new ATOM 0 HB2 ARG A 32 5.925 13.243 -2.561 1.00 73.24 H new ATOM 0 HB3 ARG A 32 5.189 14.733 -2.006 1.00 73.24 H new ATOM 0 HG2 ARG A 32 4.858 13.693 0.267 1.00 72.33 H new ATOM 0 HG3 ARG A 32 5.661 12.242 -0.300 1.00 72.33 H new ATOM 0 HD2 ARG A 32 7.764 13.500 -0.662 1.00 10.51 H new ATOM 0 HD3 ARG A 32 6.975 15.001 -0.220 1.00 10.51 H new ATOM 0 HE ARG A 32 6.798 12.899 1.838 1.00 62.21 H new ATOM 0 HH11 ARG A 32 8.736 15.651 0.672 1.00 25.31 H new ATOM 0 HH12 ARG A 32 9.514 15.884 2.242 1.00 25.31 H new ATOM 0 HH21 ARG A 32 7.765 13.284 3.825 1.00 21.34 H new ATOM 0 HH22 ARG A 32 8.971 14.563 4.001 1.00 21.34 H new ATOM 551 N GLU A 33 2.184 14.828 -1.509 1.00 34.11 N ATOM 552 CA GLU A 33 1.177 15.455 -0.622 1.00 12.51 C ATOM 553 C GLU A 33 -0.117 14.620 -0.573 1.00 64.03 C ATOM 554 O GLU A 33 -0.654 14.338 0.507 1.00 52.03 O ATOM 555 CB GLU A 33 0.878 16.903 -1.086 1.00 0.34 C ATOM 556 CG GLU A 33 2.110 17.828 -1.057 1.00 70.34 C ATOM 557 CD GLU A 33 1.776 19.283 -1.420 1.00 20.24 C ATOM 558 OE1 GLU A 33 1.340 20.044 -0.526 1.00 33.14 O ATOM 559 OE2 GLU A 33 1.942 19.671 -2.595 1.00 11.22 O ATOM 0 H GLU A 33 2.434 15.400 -2.316 1.00 34.11 H new ATOM 0 HA GLU A 33 1.588 15.491 0.387 1.00 12.51 H new ATOM 0 HB2 GLU A 33 0.479 16.875 -2.100 1.00 0.34 H new ATOM 0 HB3 GLU A 33 0.101 17.326 -0.449 1.00 0.34 H new ATOM 0 HG2 GLU A 33 2.555 17.800 -0.062 1.00 70.34 H new ATOM 0 HG3 GLU A 33 2.859 17.449 -1.752 1.00 70.34 H new ATOM 566 N GLU A 34 -0.569 14.186 -1.764 1.00 71.21 N ATOM 567 CA GLU A 34 -1.744 13.301 -1.918 1.00 21.22 C ATOM 568 C GLU A 34 -1.470 11.900 -1.327 1.00 11.14 C ATOM 569 O GLU A 34 -2.392 11.145 -1.045 1.00 21.34 O ATOM 570 CB GLU A 34 -2.121 13.177 -3.411 1.00 63.20 C ATOM 571 CG GLU A 34 -2.415 14.505 -4.120 1.00 71.45 C ATOM 572 CD GLU A 34 -2.717 14.297 -5.608 1.00 70.23 C ATOM 573 OE1 GLU A 34 -1.760 14.171 -6.400 1.00 1.44 O ATOM 574 OE2 GLU A 34 -3.909 14.223 -5.987 1.00 0.13 O ATOM 0 H GLU A 34 -0.131 14.438 -2.650 1.00 71.21 H new ATOM 0 HA GLU A 34 -2.575 13.745 -1.370 1.00 21.22 H new ATOM 0 HB2 GLU A 34 -1.307 12.676 -3.935 1.00 63.20 H new ATOM 0 HB3 GLU A 34 -2.998 12.535 -3.496 1.00 63.20 H new ATOM 0 HG2 GLU A 34 -3.264 14.993 -3.641 1.00 71.45 H new ATOM 0 HG3 GLU A 34 -1.560 15.173 -4.012 1.00 71.45 H new ATOM 581 N ALA A 35 -0.182 11.551 -1.213 1.00 23.45 N ATOM 582 CA ALA A 35 0.271 10.304 -0.576 1.00 23.15 C ATOM 583 C ALA A 35 0.358 10.469 0.955 1.00 51.03 C ATOM 584 O ALA A 35 0.196 9.503 1.705 1.00 0.23 O ATOM 585 CB ALA A 35 1.627 9.897 -1.185 1.00 73.23 C ATOM 0 H ALA A 35 0.582 12.129 -1.562 1.00 23.45 H new ATOM 0 HA ALA A 35 -0.452 9.510 -0.765 1.00 23.15 H new ATOM 0 HB1 ALA A 35 1.972 8.974 -0.720 1.00 73.23 H new ATOM 0 HB2 ALA A 35 1.512 9.742 -2.258 1.00 73.23 H new ATOM 0 HB3 ALA A 35 2.357 10.687 -1.009 1.00 73.23 H new ATOM 591 N SER A 36 0.607 11.713 1.409 1.00 64.24 N ATOM 592 CA SER A 36 0.802 12.028 2.836 1.00 72.45 C ATOM 593 C SER A 36 -0.541 12.118 3.583 1.00 0.34 C ATOM 594 O SER A 36 -0.575 11.897 4.795 1.00 43.41 O ATOM 595 CB SER A 36 1.635 13.316 2.994 1.00 63.43 C ATOM 596 OG SER A 36 2.909 13.184 2.375 1.00 44.22 O ATOM 0 H SER A 36 0.678 12.526 0.797 1.00 64.24 H new ATOM 0 HA SER A 36 1.360 11.211 3.293 1.00 72.45 H new ATOM 0 HB2 SER A 36 1.098 14.156 2.552 1.00 63.43 H new ATOM 0 HB3 SER A 36 1.764 13.541 4.053 1.00 63.43 H new ATOM 0 HG SER A 36 2.807 13.241 1.402 1.00 44.22 H new ATOM 602 N LYS A 37 -1.655 12.409 2.865 1.00 54.21 N ATOM 603 CA LYS A 37 -3.019 12.291 3.450 1.00 24.30 C ATOM 604 C LYS A 37 -3.308 10.830 3.868 1.00 24.44 C ATOM 605 O LYS A 37 -4.198 10.575 4.684 1.00 51.14 O ATOM 606 CB LYS A 37 -4.135 12.775 2.467 1.00 60.42 C ATOM 607 CG LYS A 37 -4.375 11.860 1.235 1.00 51.01 C ATOM 608 CD LYS A 37 -5.614 12.235 0.363 1.00 33.03 C ATOM 609 CE LYS A 37 -5.482 13.554 -0.436 1.00 33.13 C ATOM 610 NZ LYS A 37 -5.527 14.769 0.425 1.00 53.41 N ATOM 0 H LYS A 37 -1.640 12.723 1.895 1.00 54.21 H new ATOM 0 HA LYS A 37 -3.037 12.939 4.326 1.00 24.30 H new ATOM 0 HB2 LYS A 37 -5.070 12.865 3.020 1.00 60.42 H new ATOM 0 HB3 LYS A 37 -3.877 13.773 2.113 1.00 60.42 H new ATOM 0 HG2 LYS A 37 -3.486 11.885 0.605 1.00 51.01 H new ATOM 0 HG3 LYS A 37 -4.492 10.833 1.582 1.00 51.01 H new ATOM 0 HD2 LYS A 37 -5.805 11.422 -0.338 1.00 33.03 H new ATOM 0 HD3 LYS A 37 -6.487 12.308 1.012 1.00 33.03 H new ATOM 0 HE2 LYS A 37 -4.543 13.543 -0.990 1.00 33.13 H new ATOM 0 HE3 LYS A 37 -6.285 13.608 -1.171 1.00 33.13 H new ATOM 0 HZ1 LYS A 37 -6.113 15.497 -0.032 1.00 53.41 H new ATOM 0 HZ2 LYS A 37 -5.937 14.525 1.349 1.00 53.41 H new ATOM 0 HZ3 LYS A 37 -4.563 15.135 0.560 1.00 53.41 H new ATOM 624 N LEU A 38 -2.540 9.883 3.277 1.00 13.14 N ATOM 625 CA LEU A 38 -2.727 8.444 3.474 1.00 72.55 C ATOM 626 C LEU A 38 -1.940 7.895 4.687 1.00 62.44 C ATOM 627 O LEU A 38 -2.057 6.707 4.989 1.00 54.41 O ATOM 628 CB LEU A 38 -2.335 7.677 2.179 1.00 22.11 C ATOM 629 CG LEU A 38 -3.132 8.060 0.892 1.00 70.33 C ATOM 630 CD1 LEU A 38 -2.612 7.295 -0.340 1.00 51.32 C ATOM 631 CD2 LEU A 38 -4.647 7.846 1.090 1.00 62.23 C ATOM 0 H LEU A 38 -1.770 10.109 2.647 1.00 13.14 H new ATOM 0 HA LEU A 38 -3.783 8.284 3.691 1.00 72.55 H new ATOM 0 HB2 LEU A 38 -1.275 7.842 1.989 1.00 22.11 H new ATOM 0 HB3 LEU A 38 -2.464 6.610 2.359 1.00 22.11 H new ATOM 0 HG LEU A 38 -2.970 9.122 0.708 1.00 70.33 H new ATOM 0 HD11 LEU A 38 -3.188 7.585 -1.218 1.00 51.32 H new ATOM 0 HD12 LEU A 38 -1.561 7.535 -0.500 1.00 51.32 H new ATOM 0 HD13 LEU A 38 -2.718 6.223 -0.174 1.00 51.32 H new ATOM 0 HD21 LEU A 38 -5.176 8.121 0.177 1.00 62.23 H new ATOM 0 HD22 LEU A 38 -4.840 6.798 1.319 1.00 62.23 H new ATOM 0 HD23 LEU A 38 -4.998 8.468 1.914 1.00 62.23 H new ATOM 643 N ILE A 39 -1.175 8.749 5.397 1.00 13.21 N ATOM 644 CA ILE A 39 -0.386 8.301 6.565 1.00 71.13 C ATOM 645 C ILE A 39 -1.336 8.004 7.748 1.00 32.31 C ATOM 646 O ILE A 39 -1.863 8.922 8.386 1.00 32.45 O ATOM 647 CB ILE A 39 0.711 9.361 6.980 1.00 41.41 C ATOM 648 CG1 ILE A 39 1.626 9.718 5.767 1.00 34.21 C ATOM 649 CG2 ILE A 39 1.567 8.866 8.181 1.00 35.32 C ATOM 650 CD1 ILE A 39 2.277 8.534 5.082 1.00 72.30 C ATOM 0 H ILE A 39 -1.086 9.743 5.186 1.00 13.21 H new ATOM 0 HA ILE A 39 0.144 7.390 6.287 1.00 71.13 H new ATOM 0 HB ILE A 39 0.186 10.262 7.297 1.00 41.41 H new ATOM 0 HG12 ILE A 39 1.033 10.262 5.032 1.00 34.21 H new ATOM 0 HG13 ILE A 39 2.409 10.395 6.109 1.00 34.21 H new ATOM 0 HG21 ILE A 39 2.309 9.623 8.435 1.00 35.32 H new ATOM 0 HG22 ILE A 39 0.920 8.689 9.040 1.00 35.32 H new ATOM 0 HG23 ILE A 39 2.072 7.939 7.910 1.00 35.32 H new ATOM 0 HD11 ILE A 39 2.892 8.886 4.253 1.00 72.30 H new ATOM 0 HD12 ILE A 39 2.903 7.999 5.796 1.00 72.30 H new ATOM 0 HD13 ILE A 39 1.506 7.864 4.703 1.00 72.30 H new ATOM 662 N GLY A 40 -1.566 6.702 7.999 1.00 70.01 N ATOM 663 CA GLY A 40 -2.465 6.243 9.065 1.00 74.31 C ATOM 664 C GLY A 40 -3.657 5.452 8.540 1.00 3.52 C ATOM 665 O GLY A 40 -4.449 4.938 9.342 1.00 22.33 O ATOM 0 H GLY A 40 -1.134 5.945 7.469 1.00 70.01 H new ATOM 0 HA2 GLY A 40 -1.904 5.623 9.764 1.00 74.31 H new ATOM 0 HA3 GLY A 40 -2.827 7.106 9.624 1.00 74.31 H new ATOM 669 N ARG A 41 -3.803 5.347 7.197 1.00 43.24 N ATOM 670 CA ARG A 41 -4.902 4.573 6.586 1.00 63.05 C ATOM 671 C ARG A 41 -4.606 3.071 6.702 1.00 55.43 C ATOM 672 O ARG A 41 -3.443 2.660 6.730 1.00 61.12 O ATOM 673 CB ARG A 41 -5.113 4.938 5.089 1.00 45.54 C ATOM 674 CG ARG A 41 -5.258 6.440 4.777 1.00 34.13 C ATOM 675 CD ARG A 41 -6.460 7.132 5.423 1.00 43.13 C ATOM 676 NE ARG A 41 -6.401 8.595 5.248 1.00 21.34 N ATOM 677 CZ ARG A 41 -7.371 9.460 5.584 1.00 2.25 C ATOM 678 NH1 ARG A 41 -8.516 9.046 6.117 1.00 74.54 N ATOM 679 NH2 ARG A 41 -7.172 10.752 5.407 1.00 5.30 N ATOM 0 H ARG A 41 -3.176 5.787 6.523 1.00 43.24 H new ATOM 0 HA ARG A 41 -5.816 4.823 7.125 1.00 63.05 H new ATOM 0 HB2 ARG A 41 -4.271 4.548 4.518 1.00 45.54 H new ATOM 0 HB3 ARG A 41 -6.006 4.425 4.732 1.00 45.54 H new ATOM 0 HG2 ARG A 41 -4.350 6.950 5.100 1.00 34.13 H new ATOM 0 HG3 ARG A 41 -5.326 6.564 3.696 1.00 34.13 H new ATOM 0 HD2 ARG A 41 -7.381 6.749 4.983 1.00 43.13 H new ATOM 0 HD3 ARG A 41 -6.491 6.893 6.486 1.00 43.13 H new ATOM 0 HE ARG A 41 -5.552 8.982 4.837 1.00 21.34 H new ATOM 0 HH11 ARG A 41 -8.673 8.051 6.279 1.00 74.54 H new ATOM 0 HH12 ARG A 41 -9.238 9.723 6.364 1.00 74.54 H new ATOM 0 HH21 ARG A 41 -6.289 11.084 5.019 1.00 5.30 H new ATOM 0 HH22 ARG A 41 -7.901 11.419 5.658 1.00 5.30 H new ATOM 693 N LEU A 42 -5.675 2.274 6.715 1.00 15.40 N ATOM 694 CA LEU A 42 -5.601 0.806 6.747 1.00 35.22 C ATOM 695 C LEU A 42 -5.554 0.299 5.294 1.00 34.22 C ATOM 696 O LEU A 42 -6.142 0.916 4.402 1.00 61.20 O ATOM 697 CB LEU A 42 -6.848 0.237 7.478 1.00 34.11 C ATOM 698 CG LEU A 42 -6.946 -1.322 7.594 1.00 63.45 C ATOM 699 CD1 LEU A 42 -5.835 -1.902 8.493 1.00 15.55 C ATOM 700 CD2 LEU A 42 -8.342 -1.753 8.082 1.00 53.12 C ATOM 0 H LEU A 42 -6.631 2.631 6.704 1.00 15.40 H new ATOM 0 HA LEU A 42 -4.710 0.478 7.283 1.00 35.22 H new ATOM 0 HB2 LEU A 42 -6.873 0.655 8.484 1.00 34.11 H new ATOM 0 HB3 LEU A 42 -7.738 0.596 6.962 1.00 34.11 H new ATOM 0 HG LEU A 42 -6.797 -1.733 6.595 1.00 63.45 H new ATOM 0 HD11 LEU A 42 -5.939 -2.986 8.547 1.00 15.55 H new ATOM 0 HD12 LEU A 42 -4.860 -1.651 8.074 1.00 15.55 H new ATOM 0 HD13 LEU A 42 -5.919 -1.479 9.494 1.00 15.55 H new ATOM 0 HD21 LEU A 42 -8.383 -2.840 8.154 1.00 53.12 H new ATOM 0 HD22 LEU A 42 -8.535 -1.317 9.062 1.00 53.12 H new ATOM 0 HD23 LEU A 42 -9.097 -1.407 7.376 1.00 53.12 H new ATOM 712 N VAL A 43 -4.828 -0.801 5.049 1.00 32.55 N ATOM 713 CA VAL A 43 -4.702 -1.396 3.711 1.00 61.25 C ATOM 714 C VAL A 43 -5.093 -2.880 3.786 1.00 1.51 C ATOM 715 O VAL A 43 -4.433 -3.668 4.472 1.00 21.20 O ATOM 716 CB VAL A 43 -3.242 -1.245 3.129 1.00 41.20 C ATOM 717 CG1 VAL A 43 -3.165 -1.797 1.687 1.00 44.05 C ATOM 718 CG2 VAL A 43 -2.756 0.224 3.181 1.00 74.03 C ATOM 0 H VAL A 43 -4.312 -1.303 5.772 1.00 32.55 H new ATOM 0 HA VAL A 43 -5.371 -0.863 3.035 1.00 61.25 H new ATOM 0 HB VAL A 43 -2.576 -1.834 3.759 1.00 41.20 H new ATOM 0 HG11 VAL A 43 -2.150 -1.682 1.307 1.00 44.05 H new ATOM 0 HG12 VAL A 43 -3.435 -2.853 1.687 1.00 44.05 H new ATOM 0 HG13 VAL A 43 -3.856 -1.246 1.049 1.00 44.05 H new ATOM 0 HG21 VAL A 43 -1.748 0.288 2.772 1.00 74.03 H new ATOM 0 HG22 VAL A 43 -3.427 0.850 2.593 1.00 74.03 H new ATOM 0 HG23 VAL A 43 -2.751 0.569 4.215 1.00 74.03 H new ATOM 728 N LEU A 44 -6.187 -3.237 3.097 1.00 63.21 N ATOM 729 CA LEU A 44 -6.672 -4.615 2.990 1.00 45.41 C ATOM 730 C LEU A 44 -6.234 -5.188 1.633 1.00 11.22 C ATOM 731 O LEU A 44 -6.755 -4.787 0.582 1.00 64.20 O ATOM 732 CB LEU A 44 -8.221 -4.661 3.140 1.00 23.22 C ATOM 733 CG LEU A 44 -8.801 -4.124 4.490 1.00 53.13 C ATOM 734 CD1 LEU A 44 -10.343 -4.192 4.498 1.00 33.40 C ATOM 735 CD2 LEU A 44 -8.195 -4.869 5.704 1.00 72.22 C ATOM 0 H LEU A 44 -6.765 -2.565 2.593 1.00 63.21 H new ATOM 0 HA LEU A 44 -6.247 -5.219 3.791 1.00 45.41 H new ATOM 0 HB2 LEU A 44 -8.661 -4.086 2.325 1.00 23.22 H new ATOM 0 HB3 LEU A 44 -8.547 -5.693 3.014 1.00 23.22 H new ATOM 0 HG LEU A 44 -8.515 -3.076 4.579 1.00 53.13 H new ATOM 0 HD11 LEU A 44 -10.719 -3.813 5.448 1.00 33.40 H new ATOM 0 HD12 LEU A 44 -10.738 -3.585 3.683 1.00 33.40 H new ATOM 0 HD13 LEU A 44 -10.662 -5.226 4.368 1.00 33.40 H new ATOM 0 HD21 LEU A 44 -8.620 -4.470 6.625 1.00 72.22 H new ATOM 0 HD22 LEU A 44 -8.423 -5.932 5.629 1.00 72.22 H new ATOM 0 HD23 LEU A 44 -7.114 -4.730 5.714 1.00 72.22 H new ATOM 747 N TRP A 45 -5.237 -6.079 1.668 1.00 31.12 N ATOM 748 CA TRP A 45 -4.738 -6.799 0.486 1.00 50.13 C ATOM 749 C TRP A 45 -4.827 -8.308 0.750 1.00 22.34 C ATOM 750 O TRP A 45 -4.359 -8.784 1.783 1.00 52.24 O ATOM 751 CB TRP A 45 -3.281 -6.384 0.171 1.00 14.44 C ATOM 752 CG TRP A 45 -2.645 -7.190 -0.945 1.00 4.41 C ATOM 753 CD1 TRP A 45 -2.946 -7.142 -2.279 1.00 54.43 C ATOM 754 CD2 TRP A 45 -1.611 -8.176 -0.810 1.00 60.53 C ATOM 755 NE1 TRP A 45 -2.171 -8.037 -2.969 1.00 43.13 N ATOM 756 CE2 TRP A 45 -1.339 -8.676 -2.090 1.00 40.14 C ATOM 757 CE3 TRP A 45 -0.889 -8.675 0.274 1.00 20.11 C ATOM 758 CZ2 TRP A 45 -0.381 -9.657 -2.313 1.00 11.32 C ATOM 759 CZ3 TRP A 45 0.069 -9.647 0.050 1.00 72.34 C ATOM 760 CH2 TRP A 45 0.318 -10.127 -1.237 1.00 54.32 C ATOM 0 H TRP A 45 -4.746 -6.325 2.528 1.00 31.12 H new ATOM 0 HA TRP A 45 -5.349 -6.546 -0.380 1.00 50.13 H new ATOM 0 HB2 TRP A 45 -3.264 -5.328 -0.100 1.00 14.44 H new ATOM 0 HB3 TRP A 45 -2.679 -6.491 1.073 1.00 14.44 H new ATOM 0 HD1 TRP A 45 -3.686 -6.493 -2.723 1.00 54.43 H new ATOM 0 HE1 TRP A 45 -2.208 -8.201 -3.975 1.00 43.13 H new ATOM 0 HE3 TRP A 45 -1.075 -8.308 1.273 1.00 20.11 H new ATOM 0 HZ2 TRP A 45 -0.194 -10.037 -3.307 1.00 11.32 H new ATOM 0 HZ3 TRP A 45 0.633 -10.040 0.883 1.00 72.34 H new ATOM 0 HH2 TRP A 45 1.076 -10.882 -1.385 1.00 54.32 H new ATOM 771 N LYS A 46 -5.405 -9.046 -0.201 1.00 0.05 N ATOM 772 CA LYS A 46 -5.576 -10.499 -0.102 1.00 24.42 C ATOM 773 C LYS A 46 -4.314 -11.201 -0.659 1.00 32.25 C ATOM 774 O LYS A 46 -4.005 -11.084 -1.850 1.00 13.42 O ATOM 775 CB LYS A 46 -6.846 -10.933 -0.881 1.00 74.33 C ATOM 776 CG LYS A 46 -7.171 -12.447 -0.798 1.00 25.22 C ATOM 777 CD LYS A 46 -8.265 -12.889 -1.801 1.00 20.45 C ATOM 778 CE LYS A 46 -7.857 -12.662 -3.274 1.00 5.34 C ATOM 779 NZ LYS A 46 -8.862 -13.228 -4.220 1.00 44.44 N ATOM 0 H LYS A 46 -5.770 -8.650 -1.067 1.00 0.05 H new ATOM 0 HA LYS A 46 -5.703 -10.788 0.941 1.00 24.42 H new ATOM 0 HB2 LYS A 46 -7.699 -10.371 -0.501 1.00 74.33 H new ATOM 0 HB3 LYS A 46 -6.725 -10.658 -1.929 1.00 74.33 H new ATOM 0 HG2 LYS A 46 -6.262 -13.019 -0.986 1.00 25.22 H new ATOM 0 HG3 LYS A 46 -7.496 -12.688 0.214 1.00 25.22 H new ATOM 0 HD2 LYS A 46 -8.485 -13.946 -1.649 1.00 20.45 H new ATOM 0 HD3 LYS A 46 -9.183 -12.339 -1.595 1.00 20.45 H new ATOM 0 HE2 LYS A 46 -7.744 -11.594 -3.460 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -6.886 -13.122 -3.457 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -8.553 -13.056 -5.198 1.00 44.44 H new ATOM 0 HZ2 LYS A 46 -8.951 -14.252 -4.060 1.00 44.44 H new ATOM 0 HZ3 LYS A 46 -9.783 -12.771 -4.062 1.00 44.44 H new ATOM 793 N SER A 47 -3.578 -11.889 0.227 1.00 42.23 N ATOM 794 CA SER A 47 -2.390 -12.685 -0.142 1.00 42.22 C ATOM 795 C SER A 47 -2.772 -13.898 -1.033 1.00 31.54 C ATOM 796 O SER A 47 -3.897 -14.410 -0.927 1.00 2.42 O ATOM 797 CB SER A 47 -1.687 -13.178 1.153 1.00 73.10 C ATOM 798 OG SER A 47 -2.530 -14.038 1.917 1.00 5.25 O ATOM 0 H SER A 47 -3.788 -11.911 1.225 1.00 42.23 H new ATOM 0 HA SER A 47 -1.714 -12.053 -0.718 1.00 42.22 H new ATOM 0 HB2 SER A 47 -0.770 -13.706 0.891 1.00 73.10 H new ATOM 0 HB3 SER A 47 -1.398 -12.320 1.759 1.00 73.10 H new ATOM 0 HG SER A 47 -3.379 -13.585 2.100 1.00 5.25 H new ATOM 804 N PRO A 48 -1.833 -14.390 -1.917 1.00 31.31 N ATOM 805 CA PRO A 48 -2.022 -15.670 -2.656 1.00 32.21 C ATOM 806 C PRO A 48 -1.939 -16.902 -1.717 1.00 55.53 C ATOM 807 O PRO A 48 -2.214 -18.031 -2.133 1.00 34.14 O ATOM 808 CB PRO A 48 -0.873 -15.656 -3.700 1.00 4.12 C ATOM 809 CG PRO A 48 0.191 -14.808 -3.070 1.00 11.53 C ATOM 810 CD PRO A 48 -0.546 -13.730 -2.292 1.00 43.13 C ATOM 0 HA PRO A 48 -3.007 -15.749 -3.115 1.00 32.21 H new ATOM 0 HB2 PRO A 48 -0.510 -16.663 -3.905 1.00 4.12 H new ATOM 0 HB3 PRO A 48 -1.204 -15.237 -4.650 1.00 4.12 H new ATOM 0 HG2 PRO A 48 0.825 -15.401 -2.411 1.00 11.53 H new ATOM 0 HG3 PRO A 48 0.841 -14.369 -3.827 1.00 11.53 H new ATOM 0 HD2 PRO A 48 0.015 -13.415 -1.412 1.00 43.13 H new ATOM 0 HD3 PRO A 48 -0.713 -12.840 -2.899 1.00 43.13 H new ATOM 818 N SER A 49 -1.550 -16.654 -0.445 1.00 61.35 N ATOM 819 CA SER A 49 -1.588 -17.657 0.626 1.00 5.05 C ATOM 820 C SER A 49 -3.054 -17.954 1.033 1.00 74.13 C ATOM 821 O SER A 49 -3.374 -19.071 1.464 1.00 52.14 O ATOM 822 CB SER A 49 -0.765 -17.154 1.839 1.00 4.34 C ATOM 823 OG SER A 49 -0.666 -18.145 2.852 1.00 40.33 O ATOM 0 H SER A 49 -1.201 -15.746 -0.139 1.00 61.35 H new ATOM 0 HA SER A 49 -1.146 -18.586 0.267 1.00 5.05 H new ATOM 0 HB2 SER A 49 0.234 -16.870 1.509 1.00 4.34 H new ATOM 0 HB3 SER A 49 -1.232 -16.259 2.250 1.00 4.34 H new ATOM 0 HG SER A 49 -0.013 -17.860 3.525 1.00 40.33 H new ATOM 829 N GLY A 50 -3.941 -16.941 0.886 1.00 11.24 N ATOM 830 CA GLY A 50 -5.385 -17.100 1.125 1.00 43.44 C ATOM 831 C GLY A 50 -5.970 -16.019 2.029 1.00 42.43 C ATOM 832 O GLY A 50 -7.130 -15.615 1.851 1.00 63.45 O ATOM 0 H GLY A 50 -3.673 -15.999 0.600 1.00 11.24 H new ATOM 0 HA2 GLY A 50 -5.908 -17.086 0.169 1.00 43.44 H new ATOM 0 HA3 GLY A 50 -5.567 -18.077 1.574 1.00 43.44 H new ATOM 836 N LYS A 51 -5.168 -15.561 3.008 1.00 32.14 N ATOM 837 CA LYS A 51 -5.601 -14.579 4.026 1.00 24.45 C ATOM 838 C LYS A 51 -5.735 -13.166 3.426 1.00 30.22 C ATOM 839 O LYS A 51 -5.130 -12.856 2.397 1.00 70.42 O ATOM 840 CB LYS A 51 -4.586 -14.539 5.209 1.00 3.31 C ATOM 841 CG LYS A 51 -4.418 -15.869 5.985 1.00 33.31 C ATOM 842 CD LYS A 51 -5.726 -16.351 6.655 1.00 72.44 C ATOM 843 CE LYS A 51 -5.527 -17.601 7.543 1.00 11.12 C ATOM 844 NZ LYS A 51 -4.955 -18.755 6.798 1.00 4.12 N ATOM 0 H LYS A 51 -4.199 -15.861 3.118 1.00 32.14 H new ATOM 0 HA LYS A 51 -6.578 -14.897 4.390 1.00 24.45 H new ATOM 0 HB2 LYS A 51 -3.613 -14.239 4.821 1.00 3.31 H new ATOM 0 HB3 LYS A 51 -4.901 -13.766 5.910 1.00 3.31 H new ATOM 0 HG2 LYS A 51 -4.062 -16.639 5.301 1.00 33.31 H new ATOM 0 HG3 LYS A 51 -3.651 -15.742 6.749 1.00 33.31 H new ATOM 0 HD2 LYS A 51 -6.136 -15.543 7.261 1.00 72.44 H new ATOM 0 HD3 LYS A 51 -6.462 -16.575 5.883 1.00 72.44 H new ATOM 0 HE2 LYS A 51 -4.868 -17.349 8.374 1.00 11.12 H new ATOM 0 HE3 LYS A 51 -6.486 -17.892 7.973 1.00 11.12 H new ATOM 0 HZ1 LYS A 51 -4.860 -19.569 7.438 1.00 4.12 H new ATOM 0 HZ2 LYS A 51 -5.586 -19.007 6.010 1.00 4.12 H new ATOM 0 HZ3 LYS A 51 -4.019 -18.497 6.424 1.00 4.12 H new ATOM 858 N ILE A 52 -6.544 -12.324 4.083 1.00 41.23 N ATOM 859 CA ILE A 52 -6.587 -10.877 3.814 1.00 43.02 C ATOM 860 C ILE A 52 -5.667 -10.189 4.834 1.00 13.20 C ATOM 861 O ILE A 52 -5.996 -10.098 6.028 1.00 10.40 O ATOM 862 CB ILE A 52 -8.057 -10.302 3.887 1.00 51.24 C ATOM 863 CG1 ILE A 52 -8.966 -11.033 2.839 1.00 14.32 C ATOM 864 CG2 ILE A 52 -8.077 -8.758 3.682 1.00 32.12 C ATOM 865 CD1 ILE A 52 -10.430 -10.621 2.842 1.00 44.04 C ATOM 0 H ILE A 52 -7.187 -12.625 4.815 1.00 41.23 H new ATOM 0 HA ILE A 52 -6.243 -10.682 2.798 1.00 43.02 H new ATOM 0 HB ILE A 52 -8.455 -10.492 4.884 1.00 51.24 H new ATOM 0 HG12 ILE A 52 -8.559 -10.855 1.844 1.00 14.32 H new ATOM 0 HG13 ILE A 52 -8.908 -12.106 3.020 1.00 14.32 H new ATOM 0 HG21 ILE A 52 -9.104 -8.397 3.738 1.00 32.12 H new ATOM 0 HG22 ILE A 52 -7.481 -8.280 4.459 1.00 32.12 H new ATOM 0 HG23 ILE A 52 -7.660 -8.515 2.705 1.00 32.12 H new ATOM 0 HD11 ILE A 52 -10.968 -11.186 2.081 1.00 44.04 H new ATOM 0 HD12 ILE A 52 -10.864 -10.826 3.821 1.00 44.04 H new ATOM 0 HD13 ILE A 52 -10.509 -9.555 2.626 1.00 44.04 H new ATOM 877 N LEU A 53 -4.484 -9.778 4.364 1.00 3.11 N ATOM 878 CA LEU A 53 -3.475 -9.119 5.194 1.00 0.33 C ATOM 879 C LEU A 53 -3.888 -7.669 5.487 1.00 74.53 C ATOM 880 O LEU A 53 -4.347 -6.947 4.591 1.00 21.33 O ATOM 881 CB LEU A 53 -2.088 -9.139 4.496 1.00 13.20 C ATOM 882 CG LEU A 53 -1.546 -10.522 4.024 1.00 1.01 C ATOM 883 CD1 LEU A 53 -0.073 -10.412 3.568 1.00 43.40 C ATOM 884 CD2 LEU A 53 -1.728 -11.609 5.105 1.00 30.44 C ATOM 0 H LEU A 53 -4.200 -9.895 3.391 1.00 3.11 H new ATOM 0 HA LEU A 53 -3.401 -9.666 6.134 1.00 0.33 H new ATOM 0 HB2 LEU A 53 -2.138 -8.482 3.628 1.00 13.20 H new ATOM 0 HB3 LEU A 53 -1.359 -8.707 5.182 1.00 13.20 H new ATOM 0 HG LEU A 53 -2.138 -10.831 3.163 1.00 1.01 H new ATOM 0 HD11 LEU A 53 0.281 -11.390 3.244 1.00 43.40 H new ATOM 0 HD12 LEU A 53 -0.000 -9.707 2.740 1.00 43.40 H new ATOM 0 HD13 LEU A 53 0.540 -10.061 4.398 1.00 43.40 H new ATOM 0 HD21 LEU A 53 -1.338 -12.558 4.736 1.00 30.44 H new ATOM 0 HD22 LEU A 53 -1.188 -11.320 6.006 1.00 30.44 H new ATOM 0 HD23 LEU A 53 -2.788 -11.718 5.336 1.00 30.44 H new ATOM 896 N LYS A 54 -3.716 -7.259 6.748 1.00 32.31 N ATOM 897 CA LYS A 54 -4.002 -5.900 7.210 1.00 4.13 C ATOM 898 C LYS A 54 -2.680 -5.144 7.386 1.00 23.33 C ATOM 899 O LYS A 54 -1.750 -5.652 8.036 1.00 43.31 O ATOM 900 CB LYS A 54 -4.793 -5.936 8.539 1.00 11.12 C ATOM 901 CG LYS A 54 -6.147 -6.680 8.455 1.00 43.22 C ATOM 902 CD LYS A 54 -6.956 -6.579 9.770 1.00 13.54 C ATOM 903 CE LYS A 54 -7.339 -5.129 10.122 1.00 32.13 C ATOM 904 NZ LYS A 54 -7.939 -5.028 11.476 1.00 2.15 N ATOM 0 H LYS A 54 -3.369 -7.872 7.486 1.00 32.31 H new ATOM 0 HA LYS A 54 -4.616 -5.385 6.471 1.00 4.13 H new ATOM 0 HB2 LYS A 54 -4.177 -6.412 9.302 1.00 11.12 H new ATOM 0 HB3 LYS A 54 -4.974 -4.913 8.868 1.00 11.12 H new ATOM 0 HG2 LYS A 54 -6.736 -6.266 7.636 1.00 43.22 H new ATOM 0 HG3 LYS A 54 -5.968 -7.729 8.221 1.00 43.22 H new ATOM 0 HD2 LYS A 54 -7.862 -7.179 9.681 1.00 13.54 H new ATOM 0 HD3 LYS A 54 -6.371 -7.004 10.585 1.00 13.54 H new ATOM 0 HE2 LYS A 54 -6.453 -4.497 10.070 1.00 32.13 H new ATOM 0 HE3 LYS A 54 -8.045 -4.750 9.383 1.00 32.13 H new ATOM 0 HZ1 LYS A 54 -8.183 -4.037 11.675 1.00 2.15 H new ATOM 0 HZ2 LYS A 54 -8.799 -5.611 11.519 1.00 2.15 H new ATOM 0 HZ3 LYS A 54 -7.256 -5.365 12.184 1.00 2.15 H new ATOM 918 N GLY A 55 -2.603 -3.953 6.778 1.00 25.23 N ATOM 919 CA GLY A 55 -1.422 -3.096 6.830 1.00 42.02 C ATOM 920 C GLY A 55 -1.781 -1.651 7.093 1.00 43.34 C ATOM 921 O GLY A 55 -2.959 -1.312 7.184 1.00 43.45 O ATOM 0 H GLY A 55 -3.369 -3.558 6.232 1.00 25.23 H new ATOM 0 HA2 GLY A 55 -0.751 -3.451 7.612 1.00 42.02 H new ATOM 0 HA3 GLY A 55 -0.880 -3.169 5.887 1.00 42.02 H new ATOM 925 N LYS A 56 -0.765 -0.794 7.222 1.00 71.41 N ATOM 926 CA LYS A 56 -0.966 0.641 7.460 1.00 45.40 C ATOM 927 C LYS A 56 0.142 1.429 6.777 1.00 53.41 C ATOM 928 O LYS A 56 1.326 1.107 6.937 1.00 72.11 O ATOM 929 CB LYS A 56 -1.008 0.954 8.983 1.00 74.34 C ATOM 930 CG LYS A 56 -1.202 2.459 9.324 1.00 43.10 C ATOM 931 CD LYS A 56 -1.487 2.711 10.823 1.00 51.41 C ATOM 932 CE LYS A 56 -2.807 2.067 11.287 1.00 50.11 C ATOM 933 NZ LYS A 56 -3.058 2.291 12.737 1.00 4.14 N ATOM 0 H LYS A 56 0.215 -1.071 7.165 1.00 71.41 H new ATOM 0 HA LYS A 56 -1.926 0.937 7.038 1.00 45.40 H new ATOM 0 HB2 LYS A 56 -1.819 0.384 9.437 1.00 74.34 H new ATOM 0 HB3 LYS A 56 -0.080 0.607 9.439 1.00 74.34 H new ATOM 0 HG2 LYS A 56 -0.307 3.009 9.033 1.00 43.10 H new ATOM 0 HG3 LYS A 56 -2.027 2.856 8.732 1.00 43.10 H new ATOM 0 HD2 LYS A 56 -0.664 2.315 11.418 1.00 51.41 H new ATOM 0 HD3 LYS A 56 -1.525 3.785 11.007 1.00 51.41 H new ATOM 0 HE2 LYS A 56 -3.634 2.478 10.708 1.00 50.11 H new ATOM 0 HE3 LYS A 56 -2.778 0.996 11.085 1.00 50.11 H new ATOM 0 HZ1 LYS A 56 -3.956 1.841 13.007 1.00 4.14 H new ATOM 0 HZ2 LYS A 56 -2.282 1.876 13.292 1.00 4.14 H new ATOM 0 HZ3 LYS A 56 -3.111 3.312 12.926 1.00 4.14 H new ATOM 947 N ILE A 57 -0.263 2.443 5.998 1.00 75.30 N ATOM 948 CA ILE A 57 0.654 3.378 5.342 1.00 3.41 C ATOM 949 C ILE A 57 1.338 4.234 6.423 1.00 51.51 C ATOM 950 O ILE A 57 0.757 5.188 6.949 1.00 15.21 O ATOM 951 CB ILE A 57 -0.116 4.267 4.299 1.00 12.42 C ATOM 952 CG1 ILE A 57 -0.795 3.359 3.220 1.00 12.51 C ATOM 953 CG2 ILE A 57 0.817 5.323 3.649 1.00 65.31 C ATOM 954 CD1 ILE A 57 -1.763 4.069 2.292 1.00 33.12 C ATOM 0 H ILE A 57 -1.246 2.636 5.806 1.00 75.30 H new ATOM 0 HA ILE A 57 1.417 2.829 4.789 1.00 3.41 H new ATOM 0 HB ILE A 57 -0.895 4.818 4.826 1.00 12.42 H new ATOM 0 HG12 ILE A 57 -0.015 2.893 2.618 1.00 12.51 H new ATOM 0 HG13 ILE A 57 -1.328 2.555 3.728 1.00 12.51 H new ATOM 0 HG21 ILE A 57 0.250 5.919 2.934 1.00 65.31 H new ATOM 0 HG22 ILE A 57 1.223 5.975 4.422 1.00 65.31 H new ATOM 0 HG23 ILE A 57 1.634 4.818 3.134 1.00 65.31 H new ATOM 0 HD11 ILE A 57 -2.179 3.353 1.583 1.00 33.12 H new ATOM 0 HD12 ILE A 57 -2.570 4.511 2.877 1.00 33.12 H new ATOM 0 HD13 ILE A 57 -1.237 4.854 1.749 1.00 33.12 H new ATOM 966 N VAL A 58 2.551 3.814 6.795 1.00 21.30 N ATOM 967 CA VAL A 58 3.316 4.417 7.904 1.00 31.23 C ATOM 968 C VAL A 58 4.109 5.648 7.427 1.00 24.41 C ATOM 969 O VAL A 58 4.310 6.604 8.189 1.00 14.33 O ATOM 970 CB VAL A 58 4.279 3.359 8.566 1.00 54.35 C ATOM 971 CG1 VAL A 58 3.469 2.261 9.307 1.00 53.23 C ATOM 972 CG2 VAL A 58 5.234 2.734 7.513 1.00 42.05 C ATOM 0 H VAL A 58 3.037 3.043 6.337 1.00 21.30 H new ATOM 0 HA VAL A 58 2.601 4.747 8.658 1.00 31.23 H new ATOM 0 HB VAL A 58 4.893 3.879 9.302 1.00 54.35 H new ATOM 0 HG11 VAL A 58 4.155 1.543 9.755 1.00 53.23 H new ATOM 0 HG12 VAL A 58 2.863 2.720 10.088 1.00 53.23 H new ATOM 0 HG13 VAL A 58 2.819 1.748 8.598 1.00 53.23 H new ATOM 0 HG21 VAL A 58 5.886 2.008 7.999 1.00 42.05 H new ATOM 0 HG22 VAL A 58 4.648 2.236 6.741 1.00 42.05 H new ATOM 0 HG23 VAL A 58 5.839 3.519 7.059 1.00 42.05 H new ATOM 982 N ARG A 59 4.530 5.617 6.149 1.00 10.43 N ATOM 983 CA ARG A 59 5.317 6.691 5.525 1.00 10.20 C ATOM 984 C ARG A 59 5.163 6.602 3.991 1.00 74.04 C ATOM 985 O ARG A 59 4.713 5.577 3.472 1.00 22.13 O ATOM 986 CB ARG A 59 6.809 6.606 5.977 1.00 44.51 C ATOM 987 CG ARG A 59 7.674 7.828 5.582 1.00 15.23 C ATOM 988 CD ARG A 59 9.075 7.832 6.225 1.00 31.20 C ATOM 989 NE ARG A 59 9.828 9.053 5.880 1.00 1.03 N ATOM 990 CZ ARG A 59 9.827 10.195 6.593 1.00 30.42 C ATOM 991 NH1 ARG A 59 9.126 10.301 7.720 1.00 23.15 N ATOM 992 NH2 ARG A 59 10.519 11.240 6.159 1.00 51.33 N ATOM 0 H ARG A 59 4.331 4.840 5.518 1.00 10.43 H new ATOM 0 HA ARG A 59 4.947 7.664 5.848 1.00 10.20 H new ATOM 0 HB2 ARG A 59 6.840 6.490 7.060 1.00 44.51 H new ATOM 0 HB3 ARG A 59 7.254 5.709 5.548 1.00 44.51 H new ATOM 0 HG2 ARG A 59 7.782 7.850 4.498 1.00 15.23 H new ATOM 0 HG3 ARG A 59 7.150 8.740 5.868 1.00 15.23 H new ATOM 0 HD2 ARG A 59 8.979 7.757 7.308 1.00 31.20 H new ATOM 0 HD3 ARG A 59 9.631 6.955 5.893 1.00 31.20 H new ATOM 0 HE ARG A 59 10.395 9.030 5.033 1.00 1.03 H new ATOM 0 HH11 ARG A 59 8.578 9.509 8.056 1.00 23.15 H new ATOM 0 HH12 ARG A 59 9.137 11.174 8.247 1.00 23.15 H new ATOM 0 HH21 ARG A 59 11.048 11.176 5.289 1.00 51.33 H new ATOM 0 HH22 ARG A 59 10.522 12.108 6.695 1.00 51.33 H new ATOM 1006 N VAL A 60 5.510 7.688 3.281 1.00 40.11 N ATOM 1007 CA VAL A 60 5.435 7.757 1.803 1.00 73.15 C ATOM 1008 C VAL A 60 6.778 7.345 1.179 1.00 4.21 C ATOM 1009 O VAL A 60 7.790 7.207 1.885 1.00 62.11 O ATOM 1010 CB VAL A 60 5.038 9.208 1.315 1.00 61.30 C ATOM 1011 CG1 VAL A 60 3.656 9.607 1.858 1.00 11.54 C ATOM 1012 CG2 VAL A 60 6.100 10.261 1.715 1.00 54.01 C ATOM 0 H VAL A 60 5.852 8.547 3.712 1.00 40.11 H new ATOM 0 HA VAL A 60 4.660 7.063 1.477 1.00 73.15 H new ATOM 0 HB VAL A 60 4.993 9.182 0.226 1.00 61.30 H new ATOM 0 HG11 VAL A 60 3.404 10.609 1.510 1.00 11.54 H new ATOM 0 HG12 VAL A 60 2.907 8.900 1.502 1.00 11.54 H new ATOM 0 HG13 VAL A 60 3.676 9.596 2.948 1.00 11.54 H new ATOM 0 HG21 VAL A 60 5.789 11.244 1.361 1.00 54.01 H new ATOM 0 HG22 VAL A 60 6.201 10.281 2.800 1.00 54.01 H new ATOM 0 HG23 VAL A 60 7.058 10.000 1.266 1.00 54.01 H new ATOM 1022 N HIS A 61 6.773 7.137 -0.146 1.00 61.32 N ATOM 1023 CA HIS A 61 7.984 6.808 -0.915 1.00 24.54 C ATOM 1024 C HIS A 61 7.988 7.613 -2.225 1.00 33.41 C ATOM 1025 O HIS A 61 7.265 7.283 -3.169 1.00 1.35 O ATOM 1026 CB HIS A 61 8.053 5.280 -1.202 1.00 31.52 C ATOM 1027 CG HIS A 61 9.346 4.845 -1.856 1.00 11.11 C ATOM 1028 ND1 HIS A 61 10.495 4.587 -1.137 1.00 11.14 N ATOM 1029 CD2 HIS A 61 9.673 4.632 -3.158 1.00 41.24 C ATOM 1030 CE1 HIS A 61 11.463 4.246 -1.962 1.00 10.23 C ATOM 1031 NE2 HIS A 61 10.992 4.263 -3.190 1.00 10.01 N ATOM 0 H HIS A 61 5.929 7.192 -0.716 1.00 61.32 H new ATOM 0 HA HIS A 61 8.865 7.075 -0.331 1.00 24.54 H new ATOM 0 HB2 HIS A 61 7.929 4.737 -0.265 1.00 31.52 H new ATOM 0 HB3 HIS A 61 7.218 5.001 -1.845 1.00 31.52 H new ATOM 0 HD2 HIS A 61 9.016 4.735 -4.009 1.00 41.24 H new ATOM 0 HE1 HIS A 61 12.474 3.995 -1.678 1.00 10.23 H new ATOM 0 HE2 HIS A 61 11.523 4.038 -4.031 1.00 10.01 H new ATOM 1040 N GLY A 62 8.816 8.669 -2.265 1.00 10.35 N ATOM 1041 CA GLY A 62 8.962 9.515 -3.446 1.00 70.40 C ATOM 1042 C GLY A 62 7.830 10.522 -3.621 1.00 71.05 C ATOM 1043 O GLY A 62 6.883 10.571 -2.823 1.00 23.14 O ATOM 0 H GLY A 62 9.399 8.955 -1.478 1.00 10.35 H new ATOM 0 HA2 GLY A 62 9.908 10.052 -3.383 1.00 70.40 H new ATOM 0 HA3 GLY A 62 9.014 8.882 -4.332 1.00 70.40 H new ATOM 1047 N THR A 63 7.943 11.334 -4.677 1.00 20.52 N ATOM 1048 CA THR A 63 6.956 12.370 -5.028 1.00 71.43 C ATOM 1049 C THR A 63 5.981 11.882 -6.112 1.00 61.22 C ATOM 1050 O THR A 63 5.078 12.622 -6.501 1.00 45.41 O ATOM 1051 CB THR A 63 7.686 13.674 -5.499 1.00 33.11 C ATOM 1052 OG1 THR A 63 8.538 13.381 -6.625 1.00 71.31 O ATOM 1053 CG2 THR A 63 8.530 14.291 -4.363 1.00 40.14 C ATOM 0 H THR A 63 8.731 11.293 -5.323 1.00 20.52 H new ATOM 0 HA THR A 63 6.372 12.589 -4.134 1.00 71.43 H new ATOM 0 HB THR A 63 6.923 14.396 -5.789 1.00 33.11 H new ATOM 0 HG1 THR A 63 8.990 14.201 -6.915 1.00 71.31 H new ATOM 0 HG21 THR A 63 9.022 15.194 -4.725 1.00 40.14 H new ATOM 0 HG22 THR A 63 7.882 14.543 -3.524 1.00 40.14 H new ATOM 0 HG23 THR A 63 9.283 13.573 -4.038 1.00 40.14 H new ATOM 1061 N LYS A 64 6.137 10.616 -6.559 1.00 11.34 N ATOM 1062 CA LYS A 64 5.333 10.027 -7.656 1.00 14.10 C ATOM 1063 C LYS A 64 3.997 9.451 -7.148 1.00 41.32 C ATOM 1064 O LYS A 64 3.305 8.744 -7.886 1.00 13.12 O ATOM 1065 CB LYS A 64 6.159 8.933 -8.420 1.00 12.45 C ATOM 1066 CG LYS A 64 7.249 9.488 -9.378 1.00 53.31 C ATOM 1067 CD LYS A 64 8.430 10.174 -8.650 1.00 61.51 C ATOM 1068 CE LYS A 64 9.428 10.829 -9.625 1.00 23.44 C ATOM 1069 NZ LYS A 64 9.978 9.858 -10.613 1.00 42.10 N ATOM 0 H LYS A 64 6.825 9.972 -6.169 1.00 11.34 H new ATOM 0 HA LYS A 64 5.092 10.831 -8.352 1.00 14.10 H new ATOM 0 HB2 LYS A 64 6.637 8.282 -7.688 1.00 12.45 H new ATOM 0 HB3 LYS A 64 5.470 8.315 -8.996 1.00 12.45 H new ATOM 0 HG2 LYS A 64 7.635 8.670 -9.986 1.00 53.31 H new ATOM 0 HG3 LYS A 64 6.790 10.204 -10.060 1.00 53.31 H new ATOM 0 HD2 LYS A 64 8.042 10.932 -7.970 1.00 61.51 H new ATOM 0 HD3 LYS A 64 8.954 9.437 -8.041 1.00 61.51 H new ATOM 0 HE2 LYS A 64 8.933 11.642 -10.156 1.00 23.44 H new ATOM 0 HE3 LYS A 64 10.248 11.271 -9.059 1.00 23.44 H new ATOM 0 HZ1 LYS A 64 10.694 10.330 -11.202 1.00 42.10 H new ATOM 0 HZ2 LYS A 64 10.415 9.060 -10.109 1.00 42.10 H new ATOM 0 HZ3 LYS A 64 9.209 9.505 -11.218 1.00 42.10 H new ATOM 1083 N GLY A 65 3.632 9.773 -5.892 1.00 25.14 N ATOM 1084 CA GLY A 65 2.367 9.342 -5.309 1.00 21.03 C ATOM 1085 C GLY A 65 2.466 8.032 -4.557 1.00 51.14 C ATOM 1086 O GLY A 65 1.542 7.668 -3.824 1.00 43.14 O ATOM 0 H GLY A 65 4.208 10.335 -5.265 1.00 25.14 H new ATOM 0 HA2 GLY A 65 2.006 10.115 -4.631 1.00 21.03 H new ATOM 0 HA3 GLY A 65 1.626 9.242 -6.102 1.00 21.03 H new ATOM 1090 N ALA A 66 3.596 7.321 -4.729 1.00 53.10 N ATOM 1091 CA ALA A 66 3.838 6.042 -4.068 1.00 11.10 C ATOM 1092 C ALA A 66 3.989 6.235 -2.542 1.00 53.22 C ATOM 1093 O ALA A 66 4.535 7.242 -2.079 1.00 54.31 O ATOM 1094 CB ALA A 66 5.075 5.354 -4.671 1.00 53.20 C ATOM 0 H ALA A 66 4.361 7.624 -5.331 1.00 53.10 H new ATOM 0 HA ALA A 66 2.977 5.394 -4.235 1.00 11.10 H new ATOM 0 HB1 ALA A 66 5.243 4.402 -4.168 1.00 53.20 H new ATOM 0 HB2 ALA A 66 4.912 5.179 -5.734 1.00 53.20 H new ATOM 0 HB3 ALA A 66 5.948 5.993 -4.538 1.00 53.20 H new ATOM 1100 N VAL A 67 3.466 5.260 -1.796 1.00 75.42 N ATOM 1101 CA VAL A 67 3.486 5.204 -0.327 1.00 2.23 C ATOM 1102 C VAL A 67 4.258 3.947 0.126 1.00 64.31 C ATOM 1103 O VAL A 67 4.870 3.256 -0.699 1.00 50.11 O ATOM 1104 CB VAL A 67 2.019 5.192 0.273 1.00 31.14 C ATOM 1105 CG1 VAL A 67 1.242 6.480 -0.072 1.00 73.14 C ATOM 1106 CG2 VAL A 67 1.217 3.937 -0.159 1.00 73.34 C ATOM 0 H VAL A 67 2.998 4.455 -2.212 1.00 75.42 H new ATOM 0 HA VAL A 67 3.986 6.098 0.046 1.00 2.23 H new ATOM 0 HB VAL A 67 2.136 5.152 1.356 1.00 31.14 H new ATOM 0 HG11 VAL A 67 0.242 6.428 0.359 1.00 73.14 H new ATOM 0 HG12 VAL A 67 1.769 7.343 0.336 1.00 73.14 H new ATOM 0 HG13 VAL A 67 1.165 6.580 -1.155 1.00 73.14 H new ATOM 0 HG21 VAL A 67 0.219 3.975 0.277 1.00 73.34 H new ATOM 0 HG22 VAL A 67 1.137 3.913 -1.246 1.00 73.34 H new ATOM 0 HG23 VAL A 67 1.730 3.040 0.187 1.00 73.34 H new ATOM 1116 N ARG A 68 4.223 3.661 1.438 1.00 1.42 N ATOM 1117 CA ARG A 68 4.882 2.490 2.027 1.00 4.52 C ATOM 1118 C ARG A 68 4.029 1.971 3.205 1.00 61.04 C ATOM 1119 O ARG A 68 3.938 2.624 4.257 1.00 24.30 O ATOM 1120 CB ARG A 68 6.321 2.876 2.472 1.00 65.34 C ATOM 1121 CG ARG A 68 7.177 1.691 2.954 1.00 3.41 C ATOM 1122 CD ARG A 68 8.587 2.116 3.397 1.00 32.21 C ATOM 1123 NE ARG A 68 8.538 3.038 4.543 1.00 52.11 N ATOM 1124 CZ ARG A 68 9.551 3.807 4.972 1.00 30.34 C ATOM 1125 NH1 ARG A 68 10.731 3.808 4.355 1.00 14.10 N ATOM 1126 NH2 ARG A 68 9.382 4.542 6.057 1.00 52.14 N ATOM 0 H ARG A 68 3.734 4.240 2.121 1.00 1.42 H new ATOM 0 HA ARG A 68 4.968 1.687 1.295 1.00 4.52 H new ATOM 0 HB2 ARG A 68 6.829 3.360 1.637 1.00 65.34 H new ATOM 0 HB3 ARG A 68 6.255 3.611 3.274 1.00 65.34 H new ATOM 0 HG2 ARG A 68 6.673 1.199 3.786 1.00 3.41 H new ATOM 0 HG3 ARG A 68 7.259 0.958 2.152 1.00 3.41 H new ATOM 0 HD2 ARG A 68 9.167 1.233 3.664 1.00 32.21 H new ATOM 0 HD3 ARG A 68 9.102 2.596 2.565 1.00 32.21 H new ATOM 0 HE ARG A 68 7.658 3.098 5.056 1.00 52.11 H new ATOM 0 HH11 ARG A 68 10.880 3.216 3.538 1.00 14.10 H new ATOM 0 HH12 ARG A 68 11.486 4.401 4.699 1.00 14.10 H new ATOM 0 HH21 ARG A 68 8.492 4.519 6.555 1.00 52.14 H new ATOM 0 HH22 ARG A 68 10.142 5.132 6.397 1.00 52.14 H new ATOM 1140 N ALA A 69 3.379 0.807 3.001 1.00 12.20 N ATOM 1141 CA ALA A 69 2.460 0.195 3.981 1.00 55.45 C ATOM 1142 C ALA A 69 3.098 -1.041 4.644 1.00 54.11 C ATOM 1143 O ALA A 69 3.550 -1.955 3.948 1.00 44.30 O ATOM 1144 CB ALA A 69 1.131 -0.182 3.293 1.00 74.42 C ATOM 0 H ALA A 69 3.478 0.262 2.145 1.00 12.20 H new ATOM 0 HA ALA A 69 2.258 0.924 4.765 1.00 55.45 H new ATOM 0 HB1 ALA A 69 0.459 -0.633 4.023 1.00 74.42 H new ATOM 0 HB2 ALA A 69 0.669 0.714 2.879 1.00 74.42 H new ATOM 0 HB3 ALA A 69 1.326 -0.894 2.491 1.00 74.42 H new ATOM 1150 N ARG A 70 3.144 -1.045 5.996 1.00 1.55 N ATOM 1151 CA ARG A 70 3.609 -2.193 6.797 1.00 73.53 C ATOM 1152 C ARG A 70 2.429 -3.101 7.151 1.00 73.34 C ATOM 1153 O ARG A 70 1.531 -2.674 7.887 1.00 32.11 O ATOM 1154 CB ARG A 70 4.275 -1.731 8.122 1.00 72.02 C ATOM 1155 CG ARG A 70 5.609 -0.994 7.966 1.00 61.03 C ATOM 1156 CD ARG A 70 6.281 -0.757 9.327 1.00 40.35 C ATOM 1157 NE ARG A 70 7.629 -0.202 9.190 1.00 33.43 N ATOM 1158 CZ ARG A 70 8.402 0.203 10.204 1.00 40.22 C ATOM 1159 NH1 ARG A 70 7.977 0.116 11.463 1.00 13.32 N ATOM 1160 NH2 ARG A 70 9.594 0.729 9.953 1.00 21.25 N ATOM 0 H ARG A 70 2.857 -0.246 6.562 1.00 1.55 H new ATOM 0 HA ARG A 70 4.341 -2.730 6.194 1.00 73.53 H new ATOM 0 HB2 ARG A 70 3.579 -1.079 8.650 1.00 72.02 H new ATOM 0 HB3 ARG A 70 4.434 -2.606 8.753 1.00 72.02 H new ATOM 0 HG2 ARG A 70 6.274 -1.574 7.326 1.00 61.03 H new ATOM 0 HG3 ARG A 70 5.442 -0.038 7.469 1.00 61.03 H new ATOM 0 HD2 ARG A 70 5.669 -0.077 9.919 1.00 40.35 H new ATOM 0 HD3 ARG A 70 6.332 -1.698 9.874 1.00 40.35 H new ATOM 0 HE ARG A 70 8.009 -0.117 8.247 1.00 33.43 H new ATOM 0 HH11 ARG A 70 7.052 -0.263 11.664 1.00 13.32 H new ATOM 0 HH12 ARG A 70 8.577 0.429 12.227 1.00 13.32 H new ATOM 0 HH21 ARG A 70 9.917 0.823 8.990 1.00 21.25 H new ATOM 0 HH22 ARG A 70 10.187 1.039 10.723 1.00 21.25 H new ATOM 1174 N PHE A 71 2.433 -4.337 6.638 1.00 54.41 N ATOM 1175 CA PHE A 71 1.444 -5.354 7.018 1.00 13.33 C ATOM 1176 C PHE A 71 1.969 -6.127 8.233 1.00 1.24 C ATOM 1177 O PHE A 71 3.010 -6.781 8.155 1.00 33.12 O ATOM 1178 CB PHE A 71 1.153 -6.296 5.816 1.00 42.54 C ATOM 1179 CG PHE A 71 0.448 -5.596 4.646 1.00 2.51 C ATOM 1180 CD1 PHE A 71 1.096 -4.618 3.887 1.00 60.11 C ATOM 1181 CD2 PHE A 71 -0.870 -5.899 4.317 1.00 75.35 C ATOM 1182 CE1 PHE A 71 0.448 -3.982 2.850 1.00 42.42 C ATOM 1183 CE2 PHE A 71 -1.513 -5.265 3.276 1.00 34.34 C ATOM 1184 CZ PHE A 71 -0.854 -4.309 2.544 1.00 3.11 C ATOM 0 H PHE A 71 3.116 -4.659 5.953 1.00 54.41 H new ATOM 0 HA PHE A 71 0.501 -4.879 7.290 1.00 13.33 H new ATOM 0 HB2 PHE A 71 2.092 -6.721 5.462 1.00 42.54 H new ATOM 0 HB3 PHE A 71 0.536 -7.127 6.157 1.00 42.54 H new ATOM 0 HD1 PHE A 71 2.119 -4.357 4.116 1.00 60.11 H new ATOM 0 HD2 PHE A 71 -1.400 -6.646 4.889 1.00 75.35 H new ATOM 0 HE1 PHE A 71 0.963 -3.225 2.276 1.00 42.42 H new ATOM 0 HE2 PHE A 71 -2.535 -5.520 3.036 1.00 34.34 H new ATOM 0 HZ PHE A 71 -1.357 -3.813 1.727 1.00 3.11 H new ATOM 1194 N GLU A 72 1.208 -6.072 9.338 1.00 14.10 N ATOM 1195 CA GLU A 72 1.609 -6.659 10.636 1.00 23.22 C ATOM 1196 C GLU A 72 1.593 -8.202 10.608 1.00 33.31 C ATOM 1197 O GLU A 72 2.247 -8.855 11.436 1.00 20.42 O ATOM 1198 CB GLU A 72 0.686 -6.105 11.756 1.00 70.22 C ATOM 1199 CG GLU A 72 -0.826 -6.322 11.514 1.00 40.13 C ATOM 1200 CD GLU A 72 -1.701 -5.838 12.681 1.00 62.21 C ATOM 1201 OE1 GLU A 72 -1.818 -4.608 12.876 1.00 21.14 O ATOM 1202 OE2 GLU A 72 -2.271 -6.682 13.410 1.00 2.23 O ATOM 0 H GLU A 72 0.294 -5.619 9.361 1.00 14.10 H new ATOM 0 HA GLU A 72 2.639 -6.369 10.841 1.00 23.22 H new ATOM 0 HB2 GLU A 72 0.960 -6.576 12.700 1.00 70.22 H new ATOM 0 HB3 GLU A 72 0.873 -5.037 11.867 1.00 70.22 H new ATOM 0 HG2 GLU A 72 -1.121 -5.797 10.605 1.00 40.13 H new ATOM 0 HG3 GLU A 72 -1.012 -7.383 11.344 1.00 40.13 H new ATOM 1209 N LYS A 73 0.856 -8.756 9.628 1.00 34.05 N ATOM 1210 CA LYS A 73 0.711 -10.203 9.426 1.00 42.42 C ATOM 1211 C LYS A 73 2.031 -10.813 8.929 1.00 73.21 C ATOM 1212 O LYS A 73 2.575 -11.728 9.551 1.00 61.23 O ATOM 1213 CB LYS A 73 -0.434 -10.479 8.414 1.00 51.24 C ATOM 1214 CG LYS A 73 -1.817 -9.915 8.827 1.00 13.43 C ATOM 1215 CD LYS A 73 -2.340 -10.415 10.207 1.00 63.11 C ATOM 1216 CE LYS A 73 -2.646 -11.933 10.274 1.00 60.02 C ATOM 1217 NZ LYS A 73 -1.426 -12.792 10.336 1.00 2.33 N ATOM 0 H LYS A 73 0.339 -8.201 8.947 1.00 34.05 H new ATOM 0 HA LYS A 73 0.460 -10.670 10.378 1.00 42.42 H new ATOM 0 HB2 LYS A 73 -0.157 -10.054 7.449 1.00 51.24 H new ATOM 0 HB3 LYS A 73 -0.524 -11.556 8.274 1.00 51.24 H new ATOM 0 HG2 LYS A 73 -1.758 -8.827 8.849 1.00 13.43 H new ATOM 0 HG3 LYS A 73 -2.545 -10.180 8.060 1.00 13.43 H new ATOM 0 HD2 LYS A 73 -1.600 -10.174 10.970 1.00 63.11 H new ATOM 0 HD3 LYS A 73 -3.247 -9.864 10.458 1.00 63.11 H new ATOM 0 HE2 LYS A 73 -3.263 -12.131 11.150 1.00 60.02 H new ATOM 0 HE3 LYS A 73 -3.233 -12.215 9.400 1.00 60.02 H new ATOM 0 HZ1 LYS A 73 -1.636 -13.654 10.879 1.00 2.33 H new ATOM 0 HZ2 LYS A 73 -1.135 -13.052 9.372 1.00 2.33 H new ATOM 0 HZ3 LYS A 73 -0.656 -12.269 10.800 1.00 2.33 H new ATOM 1231 N GLY A 74 2.545 -10.277 7.812 1.00 74.52 N ATOM 1232 CA GLY A 74 3.831 -10.695 7.266 1.00 61.40 C ATOM 1233 C GLY A 74 3.784 -11.979 6.440 1.00 30.44 C ATOM 1234 O GLY A 74 4.627 -12.857 6.628 1.00 33.04 O ATOM 0 H GLY A 74 2.080 -9.548 7.271 1.00 74.52 H new ATOM 0 HA2 GLY A 74 4.225 -9.892 6.643 1.00 61.40 H new ATOM 0 HA3 GLY A 74 4.533 -10.833 8.089 1.00 61.40 H new ATOM 1238 N LEU A 75 2.798 -12.099 5.521 1.00 23.32 N ATOM 1239 CA LEU A 75 2.753 -13.213 4.535 1.00 42.54 C ATOM 1240 C LEU A 75 3.360 -12.769 3.180 1.00 22.32 C ATOM 1241 O LEU A 75 3.183 -11.613 2.780 1.00 14.31 O ATOM 1242 CB LEU A 75 1.302 -13.758 4.322 1.00 73.33 C ATOM 1243 CG LEU A 75 0.687 -14.592 5.495 1.00 2.42 C ATOM 1244 CD1 LEU A 75 -0.684 -15.186 5.104 1.00 3.52 C ATOM 1245 CD2 LEU A 75 1.656 -15.696 5.960 1.00 52.30 C ATOM 0 H LEU A 75 2.023 -11.441 5.439 1.00 23.32 H new ATOM 0 HA LEU A 75 3.351 -14.026 4.947 1.00 42.54 H new ATOM 0 HB2 LEU A 75 0.645 -12.910 4.126 1.00 73.33 H new ATOM 0 HB3 LEU A 75 1.299 -14.378 3.425 1.00 73.33 H new ATOM 0 HG LEU A 75 0.527 -13.913 6.332 1.00 2.42 H new ATOM 0 HD11 LEU A 75 -1.084 -15.759 5.940 1.00 3.52 H new ATOM 0 HD12 LEU A 75 -1.373 -14.379 4.855 1.00 3.52 H new ATOM 0 HD13 LEU A 75 -0.564 -15.840 4.240 1.00 3.52 H new ATOM 0 HD21 LEU A 75 1.202 -16.259 6.776 1.00 52.30 H new ATOM 0 HD22 LEU A 75 1.867 -16.368 5.129 1.00 52.30 H new ATOM 0 HD23 LEU A 75 2.585 -15.243 6.305 1.00 52.30 H new ATOM 1257 N PRO A 76 4.094 -13.690 2.465 1.00 30.21 N ATOM 1258 CA PRO A 76 4.718 -13.396 1.155 1.00 72.44 C ATOM 1259 C PRO A 76 3.792 -13.707 -0.055 1.00 2.13 C ATOM 1260 O PRO A 76 2.612 -14.062 0.105 1.00 42.35 O ATOM 1261 CB PRO A 76 5.948 -14.332 1.191 1.00 63.42 C ATOM 1262 CG PRO A 76 5.452 -15.568 1.890 1.00 40.45 C ATOM 1263 CD PRO A 76 4.401 -15.094 2.892 1.00 65.03 C ATOM 0 HA PRO A 76 4.951 -12.340 1.018 1.00 72.44 H new ATOM 0 HB2 PRO A 76 6.305 -14.559 0.186 1.00 63.42 H new ATOM 0 HB3 PRO A 76 6.779 -13.877 1.729 1.00 63.42 H new ATOM 0 HG2 PRO A 76 5.022 -16.273 1.178 1.00 40.45 H new ATOM 0 HG3 PRO A 76 6.268 -16.084 2.396 1.00 40.45 H new ATOM 0 HD2 PRO A 76 3.511 -15.723 2.863 1.00 65.03 H new ATOM 0 HD3 PRO A 76 4.781 -15.126 3.913 1.00 65.03 H new ATOM 1271 N GLY A 77 4.364 -13.555 -1.264 1.00 62.01 N ATOM 1272 CA GLY A 77 3.666 -13.828 -2.526 1.00 73.34 C ATOM 1273 C GLY A 77 4.130 -12.893 -3.632 1.00 0.02 C ATOM 1274 O GLY A 77 4.594 -11.792 -3.342 1.00 31.32 O ATOM 0 H GLY A 77 5.326 -13.239 -1.389 1.00 62.01 H new ATOM 0 HA2 GLY A 77 3.842 -14.862 -2.824 1.00 73.34 H new ATOM 0 HA3 GLY A 77 2.592 -13.716 -2.380 1.00 73.34 H new ATOM 1278 N GLN A 78 4.025 -13.334 -4.902 1.00 1.05 N ATOM 1279 CA GLN A 78 4.393 -12.514 -6.079 1.00 64.55 C ATOM 1280 C GLN A 78 3.117 -11.908 -6.704 1.00 44.10 C ATOM 1281 O GLN A 78 2.460 -12.526 -7.547 1.00 24.21 O ATOM 1282 CB GLN A 78 5.170 -13.367 -7.123 1.00 45.13 C ATOM 1283 CG GLN A 78 5.628 -12.571 -8.377 1.00 13.32 C ATOM 1284 CD GLN A 78 6.110 -13.444 -9.540 1.00 73.33 C ATOM 1285 OE1 GLN A 78 6.641 -14.540 -9.349 1.00 71.45 O ATOM 1286 NE2 GLN A 78 5.922 -12.957 -10.756 1.00 12.52 N ATOM 0 H GLN A 78 3.684 -14.265 -5.142 1.00 1.05 H new ATOM 0 HA GLN A 78 5.049 -11.705 -5.759 1.00 64.55 H new ATOM 0 HB2 GLN A 78 6.046 -13.802 -6.642 1.00 45.13 H new ATOM 0 HB3 GLN A 78 4.538 -14.195 -7.442 1.00 45.13 H new ATOM 0 HG2 GLN A 78 4.800 -11.952 -8.722 1.00 13.32 H new ATOM 0 HG3 GLN A 78 6.433 -11.894 -8.089 1.00 13.32 H new ATOM 0 HE21 GLN A 78 5.479 -12.046 -10.878 1.00 12.52 H new ATOM 0 HE22 GLN A 78 6.220 -13.492 -11.571 1.00 12.52 H new ATOM 1295 N ALA A 79 2.715 -10.743 -6.201 1.00 32.41 N ATOM 1296 CA ALA A 79 1.577 -9.971 -6.729 1.00 1.32 C ATOM 1297 C ALA A 79 2.019 -8.555 -7.158 1.00 43.53 C ATOM 1298 O ALA A 79 1.264 -7.592 -7.001 1.00 23.22 O ATOM 1299 CB ALA A 79 0.429 -9.967 -5.709 1.00 14.31 C ATOM 0 H ALA A 79 3.172 -10.297 -5.405 1.00 32.41 H new ATOM 0 HA ALA A 79 1.200 -10.451 -7.632 1.00 1.32 H new ATOM 0 HB1 ALA A 79 -0.409 -9.394 -6.106 1.00 14.31 H new ATOM 0 HB2 ALA A 79 0.110 -10.991 -5.517 1.00 14.31 H new ATOM 0 HB3 ALA A 79 0.770 -9.513 -4.779 1.00 14.31 H new ATOM 1305 N LEU A 80 3.285 -8.416 -7.621 1.00 72.20 N ATOM 1306 CA LEU A 80 3.793 -7.132 -8.174 1.00 24.14 C ATOM 1307 C LEU A 80 2.925 -6.698 -9.389 1.00 75.52 C ATOM 1308 O LEU A 80 3.004 -7.297 -10.468 1.00 3.03 O ATOM 1309 CB LEU A 80 5.290 -7.255 -8.584 1.00 12.40 C ATOM 1310 CG LEU A 80 6.274 -7.660 -7.443 1.00 53.24 C ATOM 1311 CD1 LEU A 80 7.707 -7.862 -7.970 1.00 71.24 C ATOM 1312 CD2 LEU A 80 6.241 -6.627 -6.300 1.00 34.34 C ATOM 0 H LEU A 80 3.971 -9.171 -7.624 1.00 72.20 H new ATOM 0 HA LEU A 80 3.722 -6.369 -7.399 1.00 24.14 H new ATOM 0 HB2 LEU A 80 5.369 -7.991 -9.385 1.00 12.40 H new ATOM 0 HB3 LEU A 80 5.614 -6.299 -8.996 1.00 12.40 H new ATOM 0 HG LEU A 80 5.940 -8.618 -7.045 1.00 53.24 H new ATOM 0 HD11 LEU A 80 8.362 -8.143 -7.145 1.00 71.24 H new ATOM 0 HD12 LEU A 80 7.710 -8.652 -8.721 1.00 71.24 H new ATOM 0 HD13 LEU A 80 8.064 -6.934 -8.417 1.00 71.24 H new ATOM 0 HD21 LEU A 80 6.935 -6.930 -5.516 1.00 34.34 H new ATOM 0 HD22 LEU A 80 6.532 -5.650 -6.684 1.00 34.34 H new ATOM 0 HD23 LEU A 80 5.233 -6.570 -5.890 1.00 34.34 H new ATOM 1324 N GLY A 81 2.072 -5.677 -9.160 1.00 2.54 N ATOM 1325 CA GLY A 81 1.109 -5.174 -10.151 1.00 31.00 C ATOM 1326 C GLY A 81 -0.342 -5.367 -9.709 1.00 53.12 C ATOM 1327 O GLY A 81 -1.270 -5.049 -10.465 1.00 42.11 O ATOM 0 H GLY A 81 2.036 -5.177 -8.272 1.00 2.54 H new ATOM 0 HA2 GLY A 81 1.294 -4.114 -10.327 1.00 31.00 H new ATOM 0 HA3 GLY A 81 1.268 -5.687 -11.100 1.00 31.00 H new ATOM 1331 N ASP A 82 -0.544 -5.884 -8.478 1.00 74.43 N ATOM 1332 CA ASP A 82 -1.894 -6.177 -7.937 1.00 25.21 C ATOM 1333 C ASP A 82 -2.484 -4.929 -7.263 1.00 11.31 C ATOM 1334 O ASP A 82 -1.759 -3.985 -6.954 1.00 72.10 O ATOM 1335 CB ASP A 82 -1.842 -7.372 -6.946 1.00 32.05 C ATOM 1336 CG ASP A 82 -3.234 -7.940 -6.607 1.00 45.55 C ATOM 1337 OD1 ASP A 82 -3.797 -8.688 -7.442 1.00 53.34 O ATOM 1338 OD2 ASP A 82 -3.777 -7.639 -5.521 1.00 32.03 O ATOM 0 H ASP A 82 0.215 -6.109 -7.834 1.00 74.43 H new ATOM 0 HA ASP A 82 -2.545 -6.457 -8.765 1.00 25.21 H new ATOM 0 HB2 ASP A 82 -1.228 -8.164 -7.374 1.00 32.05 H new ATOM 0 HB3 ASP A 82 -1.353 -7.052 -6.026 1.00 32.05 H new ATOM 1343 N TYR A 83 -3.805 -4.941 -7.037 1.00 5.31 N ATOM 1344 CA TYR A 83 -4.542 -3.778 -6.541 1.00 5.22 C ATOM 1345 C TYR A 83 -5.011 -3.984 -5.093 1.00 2.13 C ATOM 1346 O TYR A 83 -5.682 -4.975 -4.782 1.00 32.12 O ATOM 1347 CB TYR A 83 -5.726 -3.493 -7.490 1.00 71.05 C ATOM 1348 CG TYR A 83 -5.286 -3.041 -8.896 1.00 32.22 C ATOM 1349 CD1 TYR A 83 -5.048 -1.690 -9.170 1.00 2.24 C ATOM 1350 CD2 TYR A 83 -5.093 -3.958 -9.938 1.00 34.51 C ATOM 1351 CE1 TYR A 83 -4.647 -1.274 -10.419 1.00 32.25 C ATOM 1352 CE2 TYR A 83 -4.679 -3.542 -11.190 1.00 14.11 C ATOM 1353 CZ TYR A 83 -4.460 -2.200 -11.427 1.00 43.11 C ATOM 1354 OH TYR A 83 -4.040 -1.782 -12.671 1.00 63.13 O ATOM 0 H TYR A 83 -4.391 -5.761 -7.194 1.00 5.31 H new ATOM 0 HA TYR A 83 -3.880 -2.912 -6.528 1.00 5.22 H new ATOM 0 HB2 TYR A 83 -6.335 -4.392 -7.579 1.00 71.05 H new ATOM 0 HB3 TYR A 83 -6.358 -2.722 -7.049 1.00 71.05 H new ATOM 0 HD1 TYR A 83 -5.182 -0.959 -8.386 1.00 2.24 H new ATOM 0 HD2 TYR A 83 -5.271 -5.008 -9.760 1.00 34.51 H new ATOM 0 HE1 TYR A 83 -4.479 -0.225 -10.611 1.00 32.25 H new ATOM 0 HE2 TYR A 83 -4.528 -4.264 -11.979 1.00 14.11 H new ATOM 0 HH TYR A 83 -3.956 -2.557 -13.265 1.00 63.13 H new ATOM 1364 N VAL A 84 -4.640 -3.024 -4.220 1.00 43.52 N ATOM 1365 CA VAL A 84 -4.993 -3.026 -2.784 1.00 43.43 C ATOM 1366 C VAL A 84 -6.174 -2.068 -2.502 1.00 52.31 C ATOM 1367 O VAL A 84 -6.483 -1.179 -3.314 1.00 12.43 O ATOM 1368 CB VAL A 84 -3.767 -2.598 -1.887 1.00 3.05 C ATOM 1369 CG1 VAL A 84 -2.530 -3.487 -2.138 1.00 74.34 C ATOM 1370 CG2 VAL A 84 -3.411 -1.100 -2.068 1.00 54.44 C ATOM 0 H VAL A 84 -4.081 -2.217 -4.495 1.00 43.52 H new ATOM 0 HA VAL A 84 -5.281 -4.047 -2.532 1.00 43.43 H new ATOM 0 HB VAL A 84 -4.077 -2.744 -0.852 1.00 3.05 H new ATOM 0 HG11 VAL A 84 -1.710 -3.158 -1.500 1.00 74.34 H new ATOM 0 HG12 VAL A 84 -2.775 -4.524 -1.908 1.00 74.34 H new ATOM 0 HG13 VAL A 84 -2.231 -3.408 -3.183 1.00 74.34 H new ATOM 0 HG21 VAL A 84 -2.562 -0.848 -1.432 1.00 54.44 H new ATOM 0 HG22 VAL A 84 -3.153 -0.911 -3.110 1.00 54.44 H new ATOM 0 HG23 VAL A 84 -4.267 -0.486 -1.789 1.00 54.44 H new ATOM 1380 N GLU A 85 -6.812 -2.258 -1.335 1.00 33.13 N ATOM 1381 CA GLU A 85 -7.861 -1.362 -0.812 1.00 55.23 C ATOM 1382 C GLU A 85 -7.284 -0.491 0.311 1.00 24.42 C ATOM 1383 O GLU A 85 -6.974 -1.004 1.389 1.00 11.20 O ATOM 1384 CB GLU A 85 -9.053 -2.208 -0.274 1.00 53.25 C ATOM 1385 CG GLU A 85 -9.814 -2.999 -1.352 1.00 23.02 C ATOM 1386 CD GLU A 85 -10.544 -2.096 -2.355 1.00 20.34 C ATOM 1387 OE1 GLU A 85 -11.596 -1.521 -1.997 1.00 32.31 O ATOM 1388 OE2 GLU A 85 -10.068 -1.932 -3.495 1.00 74.02 O ATOM 0 H GLU A 85 -6.613 -3.047 -0.720 1.00 33.13 H new ATOM 0 HA GLU A 85 -8.218 -0.716 -1.614 1.00 55.23 H new ATOM 0 HB2 GLU A 85 -8.678 -2.907 0.474 1.00 53.25 H new ATOM 0 HB3 GLU A 85 -9.753 -1.544 0.233 1.00 53.25 H new ATOM 0 HG2 GLU A 85 -9.113 -3.637 -1.890 1.00 23.02 H new ATOM 0 HG3 GLU A 85 -10.538 -3.656 -0.870 1.00 23.02 H new ATOM 1395 N ILE A 86 -7.130 0.818 0.059 1.00 24.31 N ATOM 1396 CA ILE A 86 -6.735 1.781 1.104 1.00 72.13 C ATOM 1397 C ILE A 86 -8.028 2.270 1.793 1.00 11.34 C ATOM 1398 O ILE A 86 -8.683 3.212 1.340 1.00 24.11 O ATOM 1399 CB ILE A 86 -5.903 2.976 0.493 1.00 34.45 C ATOM 1400 CG1 ILE A 86 -4.637 2.419 -0.240 1.00 31.43 C ATOM 1401 CG2 ILE A 86 -5.511 4.018 1.573 1.00 0.40 C ATOM 1402 CD1 ILE A 86 -3.840 3.452 -1.014 1.00 71.31 C ATOM 0 H ILE A 86 -7.273 1.236 -0.860 1.00 24.31 H new ATOM 0 HA ILE A 86 -6.083 1.306 1.837 1.00 72.13 H new ATOM 0 HB ILE A 86 -6.532 3.495 -0.231 1.00 34.45 H new ATOM 0 HG12 ILE A 86 -3.983 1.955 0.498 1.00 31.43 H new ATOM 0 HG13 ILE A 86 -4.950 1.633 -0.927 1.00 31.43 H new ATOM 0 HG21 ILE A 86 -4.940 4.823 1.111 1.00 0.40 H new ATOM 0 HG22 ILE A 86 -6.413 4.427 2.028 1.00 0.40 H new ATOM 0 HG23 ILE A 86 -4.904 3.536 2.340 1.00 0.40 H new ATOM 0 HD11 ILE A 86 -2.983 2.971 -1.487 1.00 71.31 H new ATOM 0 HD12 ILE A 86 -4.473 3.900 -1.780 1.00 71.31 H new ATOM 0 HD13 ILE A 86 -3.491 4.227 -0.332 1.00 71.31 H new ATOM 1414 N VAL A 87 -8.398 1.562 2.869 1.00 13.35 N ATOM 1415 CA VAL A 87 -9.647 1.777 3.632 1.00 2.01 C ATOM 1416 C VAL A 87 -9.350 2.637 4.884 1.00 12.14 C ATOM 1417 O VAL A 87 -8.228 2.616 5.391 1.00 11.34 O ATOM 1418 CB VAL A 87 -10.259 0.383 4.082 1.00 51.45 C ATOM 1419 CG1 VAL A 87 -11.664 0.534 4.719 1.00 14.12 C ATOM 1420 CG2 VAL A 87 -10.291 -0.630 2.911 1.00 2.44 C ATOM 0 H VAL A 87 -7.828 0.805 3.246 1.00 13.35 H new ATOM 0 HA VAL A 87 -10.365 2.293 2.995 1.00 2.01 H new ATOM 0 HB VAL A 87 -9.596 -0.011 4.852 1.00 51.45 H new ATOM 0 HG11 VAL A 87 -12.039 -0.447 5.010 1.00 14.12 H new ATOM 0 HG12 VAL A 87 -11.597 1.173 5.600 1.00 14.12 H new ATOM 0 HG13 VAL A 87 -12.345 0.983 3.996 1.00 14.12 H new ATOM 0 HG21 VAL A 87 -10.716 -1.572 3.257 1.00 2.44 H new ATOM 0 HG22 VAL A 87 -10.903 -0.231 2.102 1.00 2.44 H new ATOM 0 HG23 VAL A 87 -9.277 -0.800 2.549 1.00 2.44 H new ATOM 1430 N LEU A 88 -10.349 3.407 5.365 1.00 23.34 N ATOM 1431 CA LEU A 88 -10.262 4.093 6.667 1.00 72.50 C ATOM 1432 C LEU A 88 -11.684 4.423 7.143 1.00 30.22 C ATOM 1433 O LEU A 88 -12.412 5.170 6.471 1.00 4.42 O ATOM 1434 CB LEU A 88 -9.351 5.368 6.592 1.00 3.43 C ATOM 1435 CG LEU A 88 -8.773 5.939 7.949 1.00 72.20 C ATOM 1436 CD1 LEU A 88 -9.821 6.697 8.787 1.00 21.11 C ATOM 1437 CD2 LEU A 88 -8.085 4.821 8.772 1.00 31.21 C ATOM 0 H LEU A 88 -11.225 3.568 4.869 1.00 23.34 H new ATOM 0 HA LEU A 88 -9.788 3.434 7.395 1.00 72.50 H new ATOM 0 HB2 LEU A 88 -8.509 5.141 5.938 1.00 3.43 H new ATOM 0 HB3 LEU A 88 -9.923 6.161 6.111 1.00 3.43 H new ATOM 0 HG LEU A 88 -8.020 6.679 7.677 1.00 72.20 H new ATOM 0 HD11 LEU A 88 -9.359 7.062 9.704 1.00 21.11 H new ATOM 0 HD12 LEU A 88 -10.205 7.541 8.213 1.00 21.11 H new ATOM 0 HD13 LEU A 88 -10.642 6.025 9.037 1.00 21.11 H new ATOM 0 HD21 LEU A 88 -7.696 5.239 9.700 1.00 31.21 H new ATOM 0 HD22 LEU A 88 -8.810 4.040 9.002 1.00 31.21 H new ATOM 0 HD23 LEU A 88 -7.265 4.396 8.194 1.00 31.21 H new ATOM 1449 N GLU A 89 -12.075 3.819 8.282 1.00 15.44 N ATOM 1450 CA GLU A 89 -13.349 4.101 8.955 1.00 73.31 C ATOM 1451 C GLU A 89 -13.306 5.533 9.506 1.00 53.52 C ATOM 1452 O GLU A 89 -12.622 5.800 10.504 1.00 50.34 O ATOM 1453 CB GLU A 89 -13.601 3.076 10.101 1.00 63.42 C ATOM 1454 CG GLU A 89 -13.571 1.598 9.666 1.00 24.33 C ATOM 1455 CD GLU A 89 -14.487 1.296 8.467 1.00 54.40 C ATOM 1456 OE1 GLU A 89 -15.729 1.277 8.639 1.00 14.30 O ATOM 1457 OE2 GLU A 89 -13.974 1.096 7.347 1.00 1.14 O ATOM 0 H GLU A 89 -11.509 3.118 8.760 1.00 15.44 H new ATOM 0 HA GLU A 89 -14.170 4.008 8.244 1.00 73.31 H new ATOM 0 HB2 GLU A 89 -12.850 3.227 10.876 1.00 63.42 H new ATOM 0 HB3 GLU A 89 -14.571 3.288 10.552 1.00 63.42 H new ATOM 0 HG2 GLU A 89 -12.548 1.323 9.411 1.00 24.33 H new ATOM 0 HG3 GLU A 89 -13.869 0.973 10.508 1.00 24.33 H new ATOM 1464 N HIS A 90 -13.997 6.448 8.806 1.00 63.55 N ATOM 1465 CA HIS A 90 -13.956 7.883 9.104 1.00 12.11 C ATOM 1466 C HIS A 90 -14.626 8.177 10.464 1.00 12.21 C ATOM 1467 O HIS A 90 -15.850 8.118 10.597 1.00 0.33 O ATOM 1468 CB HIS A 90 -14.628 8.690 7.962 1.00 42.14 C ATOM 1469 CG HIS A 90 -14.452 10.185 8.087 1.00 11.25 C ATOM 1470 ND1 HIS A 90 -15.386 11.008 8.677 1.00 1.54 N ATOM 1471 CD2 HIS A 90 -13.443 10.999 7.691 1.00 34.55 C ATOM 1472 CE1 HIS A 90 -14.957 12.250 8.642 1.00 60.41 C ATOM 1473 NE2 HIS A 90 -13.784 12.274 8.046 1.00 70.04 N ATOM 0 H HIS A 90 -14.599 6.210 8.018 1.00 63.55 H new ATOM 0 HA HIS A 90 -12.914 8.195 9.172 1.00 12.11 H new ATOM 0 HB2 HIS A 90 -14.215 8.363 7.007 1.00 42.14 H new ATOM 0 HB3 HIS A 90 -15.693 8.459 7.945 1.00 42.14 H new ATOM 0 HD2 HIS A 90 -12.537 10.696 7.188 1.00 34.55 H new ATOM 0 HE1 HIS A 90 -15.480 13.108 9.037 1.00 60.41 H new ATOM 0 HE2 HIS A 90 -13.221 13.108 7.877 1.00 70.04 H new ATOM 1482 N HIS A 91 -13.782 8.411 11.473 1.00 65.31 N ATOM 1483 CA HIS A 91 -14.190 8.830 12.827 1.00 1.54 C ATOM 1484 C HIS A 91 -13.863 10.333 13.018 1.00 51.01 C ATOM 1485 O HIS A 91 -14.765 11.109 13.386 1.00 50.24 O ATOM 1486 CB HIS A 91 -13.501 7.940 13.910 1.00 0.10 C ATOM 1487 CG HIS A 91 -12.005 7.807 13.777 1.00 43.32 C ATOM 1488 ND1 HIS A 91 -11.416 6.862 12.969 1.00 64.04 N ATOM 1489 CD2 HIS A 91 -10.985 8.466 14.380 1.00 22.03 C ATOM 1490 CE1 HIS A 91 -10.108 6.958 13.062 1.00 41.55 C ATOM 1491 NE2 HIS A 91 -9.821 7.917 13.913 1.00 34.42 N ATOM 0 H HIS A 91 -12.772 8.314 11.374 1.00 65.31 H new ATOM 0 HA HIS A 91 -15.265 8.696 12.944 1.00 1.54 H new ATOM 0 HB2 HIS A 91 -13.727 8.353 14.893 1.00 0.10 H new ATOM 0 HB3 HIS A 91 -13.943 6.944 13.873 1.00 0.10 H new ATOM 0 HD1 HIS A 91 -11.917 6.190 12.387 1.00 64.04 H new ATOM 0 HD2 HIS A 91 -11.074 9.272 15.094 1.00 22.03 H new ATOM 0 HE1 HIS A 91 -9.391 6.351 12.529 1.00 41.55 H new TER 1500 HIS A 91