USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 2 K(o=3.3,f=-7.9!) USER MOD Set 1.2: A 86 THR OG1 : rot -65:sc= 1.32 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -167:sc= 0 (180deg=-0.178) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0247) USER MOD Single : A 8 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.12) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 17 ASN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.034) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.188 K(o=-0.19,f=-5.7!) USER MOD Single : A 24 ASN : amide:sc= -0.998 K(o=-1,f=-2.9!) USER MOD Single : A 26 TYR OH : rot 126:sc= 0.51 USER MOD Single : A 28 SER OG : rot 37:sc= 0.0946 USER MOD Single : A 31 HIS : no HE2:sc= -0.34 K(o=-0.34,f=-2.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -168:sc=-0.00137 (180deg=-0.1) USER MOD Single : A 42 ASN : amide:sc= -0.565 K(o=-0.57,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 57 SER OG : rot -17:sc= 0.92 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 33:sc= 1.14 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -150:sc= -0.0158 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= 0.74 (180deg=0.315) USER MOD Single : A 78 TYR OH : rot -134:sc= 0.0416 USER MOD Single : A 83 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc=-0.00337 (180deg=-0.0748) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.771 -1.153 -0.847 1.00 43.14 N ATOM 2 CA MET A 0 -0.632 -2.032 -2.021 1.00 53.32 C ATOM 3 C MET A 0 0.422 -3.110 -1.764 1.00 32.15 C ATOM 4 O MET A 0 1.606 -2.899 -2.023 1.00 13.11 O ATOM 5 CB MET A 0 -0.307 -1.225 -3.289 1.00 20.21 C ATOM 6 CG MET A 0 -1.446 -0.277 -3.677 1.00 14.00 C ATOM 7 SD MET A 0 -1.149 0.644 -5.210 1.00 71.33 S ATOM 8 CE MET A 0 -2.671 1.624 -5.262 1.00 43.25 C ATOM 0 H1 MET A 0 -1.629 -0.574 -0.947 1.00 43.14 H new ATOM 0 H2 MET A 0 -0.842 -1.732 0.014 1.00 43.14 H new ATOM 0 H3 MET A 0 0.060 -0.531 -0.778 1.00 43.14 H new ATOM 0 HA MET A 0 -1.589 -2.527 -2.188 1.00 53.32 H new ATOM 0 HB2 MET A 0 0.604 -0.649 -3.128 1.00 20.21 H new ATOM 0 HB3 MET A 0 -0.110 -1.910 -4.113 1.00 20.21 H new ATOM 0 HG2 MET A 0 -2.365 -0.854 -3.784 1.00 14.00 H new ATOM 0 HG3 MET A 0 -1.608 0.432 -2.865 1.00 14.00 H new ATOM 0 HE1 MET A 0 -2.665 2.259 -6.148 1.00 43.25 H new ATOM 0 HE2 MET A 0 -3.532 0.957 -5.300 1.00 43.25 H new ATOM 0 HE3 MET A 0 -2.733 2.247 -4.370 1.00 43.25 H new ATOM 20 N ILE A 1 -0.018 -4.260 -1.238 1.00 32.21 N ATOM 21 CA ILE A 1 0.837 -5.399 -0.928 1.00 33.43 C ATOM 22 C ILE A 1 1.169 -6.149 -2.223 1.00 62.24 C ATOM 23 O ILE A 1 0.341 -6.890 -2.741 1.00 54.42 O ATOM 24 CB ILE A 1 0.190 -6.271 0.174 1.00 53.14 C ATOM 25 CG1 ILE A 1 1.146 -7.401 0.590 1.00 72.23 C ATOM 26 CG2 ILE A 1 -1.197 -6.838 -0.176 1.00 11.25 C ATOM 27 CD1 ILE A 1 0.674 -8.128 1.854 1.00 41.44 C ATOM 0 H ILE A 1 -1.000 -4.422 -1.014 1.00 32.21 H new ATOM 0 HA ILE A 1 1.789 -5.071 -0.511 1.00 33.43 H new ATOM 0 HB ILE A 1 0.016 -5.595 1.012 1.00 53.14 H new ATOM 0 HG12 ILE A 1 1.235 -8.118 -0.227 1.00 72.23 H new ATOM 0 HG13 ILE A 1 2.140 -6.988 0.761 1.00 72.23 H new ATOM 0 HG21 ILE A 1 -1.567 -7.435 0.658 1.00 11.25 H new ATOM 0 HG22 ILE A 1 -1.887 -6.017 -0.370 1.00 11.25 H new ATOM 0 HG23 ILE A 1 -1.120 -7.465 -1.065 1.00 11.25 H new ATOM 0 HD11 ILE A 1 1.383 -8.917 2.106 1.00 41.44 H new ATOM 0 HD12 ILE A 1 0.611 -7.419 2.680 1.00 41.44 H new ATOM 0 HD13 ILE A 1 -0.308 -8.566 1.676 1.00 41.44 H new ATOM 39 N GLN A 2 2.370 -5.913 -2.770 1.00 20.13 N ATOM 40 CA GLN A 2 2.787 -6.424 -4.072 1.00 60.25 C ATOM 41 C GLN A 2 3.772 -7.585 -3.907 1.00 0.44 C ATOM 42 O GLN A 2 4.977 -7.407 -4.081 1.00 0.30 O ATOM 43 CB GLN A 2 3.376 -5.269 -4.895 1.00 55.44 C ATOM 44 CG GLN A 2 2.263 -4.324 -5.365 1.00 0.34 C ATOM 45 CD GLN A 2 2.822 -3.116 -6.112 1.00 73.32 C ATOM 46 OE1 GLN A 2 2.794 -2.000 -5.598 1.00 1.41 O ATOM 47 NE2 GLN A 2 3.324 -3.334 -7.330 1.00 31.24 N ATOM 0 H GLN A 2 3.086 -5.352 -2.308 1.00 20.13 H new ATOM 0 HA GLN A 2 1.927 -6.823 -4.610 1.00 60.25 H new ATOM 0 HB2 GLN A 2 4.100 -4.718 -4.294 1.00 55.44 H new ATOM 0 HB3 GLN A 2 3.913 -5.665 -5.757 1.00 55.44 H new ATOM 0 HG2 GLN A 2 1.576 -4.867 -6.014 1.00 0.34 H new ATOM 0 HG3 GLN A 2 1.687 -3.984 -4.504 1.00 0.34 H new ATOM 0 HE21 GLN A 2 3.328 -4.277 -7.719 1.00 31.24 H new ATOM 0 HE22 GLN A 2 3.704 -2.558 -7.871 1.00 31.24 H new ATOM 56 N ARG A 3 3.256 -8.777 -3.578 1.00 32.53 N ATOM 57 CA ARG A 3 4.053 -9.986 -3.386 1.00 31.54 C ATOM 58 C ARG A 3 4.140 -10.814 -4.671 1.00 55.55 C ATOM 59 O ARG A 3 3.226 -10.801 -5.494 1.00 11.30 O ATOM 60 CB ARG A 3 3.432 -10.859 -2.293 1.00 41.31 C ATOM 61 CG ARG A 3 3.602 -10.305 -0.877 1.00 42.42 C ATOM 62 CD ARG A 3 2.808 -11.221 0.056 1.00 20.54 C ATOM 63 NE ARG A 3 3.048 -10.930 1.472 1.00 41.31 N ATOM 64 CZ ARG A 3 2.397 -11.554 2.468 1.00 51.13 C ATOM 65 NH1 ARG A 3 1.495 -12.508 2.196 1.00 25.20 N ATOM 66 NH2 ARG A 3 2.644 -11.220 3.742 1.00 52.24 N ATOM 0 H ARG A 3 2.257 -8.926 -3.437 1.00 32.53 H new ATOM 0 HA ARG A 3 5.055 -9.668 -3.099 1.00 31.54 H new ATOM 0 HB2 ARG A 3 2.368 -10.978 -2.499 1.00 41.31 H new ATOM 0 HB3 ARG A 3 3.879 -11.852 -2.339 1.00 41.31 H new ATOM 0 HG2 ARG A 3 4.654 -10.284 -0.594 1.00 42.42 H new ATOM 0 HG3 ARG A 3 3.235 -9.280 -0.816 1.00 42.42 H new ATOM 0 HD2 ARG A 3 1.744 -11.116 -0.157 1.00 20.54 H new ATOM 0 HD3 ARG A 3 3.073 -12.258 -0.148 1.00 20.54 H new ATOM 0 HE ARG A 3 3.741 -10.221 1.713 1.00 41.31 H new ATOM 0 HH11 ARG A 3 1.300 -12.764 1.228 1.00 25.20 H new ATOM 0 HH12 ARG A 3 1.004 -12.978 2.957 1.00 25.20 H new ATOM 0 HH21 ARG A 3 3.326 -10.492 3.955 1.00 52.24 H new ATOM 0 HH22 ARG A 3 2.150 -11.694 4.498 1.00 52.24 H new ATOM 80 N THR A 4 5.237 -11.572 -4.796 1.00 43.04 N ATOM 81 CA THR A 4 5.496 -12.536 -5.859 1.00 72.11 C ATOM 82 C THR A 4 5.075 -13.945 -5.412 1.00 32.30 C ATOM 83 O THR A 4 5.020 -14.212 -4.212 1.00 54.12 O ATOM 84 CB THR A 4 7.003 -12.518 -6.171 1.00 2.20 C ATOM 85 OG1 THR A 4 7.747 -12.692 -4.981 1.00 23.52 O ATOM 86 CG2 THR A 4 7.413 -11.206 -6.846 1.00 72.34 C ATOM 0 H THR A 4 6.002 -11.523 -4.123 1.00 43.04 H new ATOM 0 HA THR A 4 4.922 -12.271 -6.747 1.00 72.11 H new ATOM 0 HB THR A 4 7.214 -13.339 -6.857 1.00 2.20 H new ATOM 0 HG1 THR A 4 8.705 -12.681 -5.189 1.00 23.52 H new ATOM 0 HG21 THR A 4 8.483 -11.223 -7.054 1.00 72.34 H new ATOM 0 HG22 THR A 4 6.863 -11.090 -7.780 1.00 72.34 H new ATOM 0 HG23 THR A 4 7.185 -10.370 -6.185 1.00 72.34 H new ATOM 94 N PRO A 5 4.813 -14.868 -6.355 1.00 0.25 N ATOM 95 CA PRO A 5 4.542 -16.268 -6.051 1.00 13.11 C ATOM 96 C PRO A 5 5.826 -16.963 -5.598 1.00 12.12 C ATOM 97 O PRO A 5 6.840 -16.887 -6.292 1.00 21.14 O ATOM 98 CB PRO A 5 4.023 -16.879 -7.356 1.00 22.11 C ATOM 99 CG PRO A 5 4.642 -15.998 -8.442 1.00 60.41 C ATOM 100 CD PRO A 5 4.725 -14.621 -7.786 1.00 4.00 C ATOM 0 HA PRO A 5 3.817 -16.380 -5.245 1.00 13.11 H new ATOM 0 HB2 PRO A 5 4.331 -17.919 -7.461 1.00 22.11 H new ATOM 0 HB3 PRO A 5 2.934 -16.863 -7.400 1.00 22.11 H new ATOM 0 HG2 PRO A 5 5.626 -16.360 -8.739 1.00 60.41 H new ATOM 0 HG3 PRO A 5 4.025 -15.977 -9.341 1.00 60.41 H new ATOM 0 HD2 PRO A 5 5.596 -14.070 -8.142 1.00 4.00 H new ATOM 0 HD3 PRO A 5 3.848 -14.020 -8.026 1.00 4.00 H new ATOM 108 N LYS A 6 5.779 -17.651 -4.449 1.00 0.04 N ATOM 109 CA LYS A 6 6.897 -18.455 -3.977 1.00 54.02 C ATOM 110 C LYS A 6 6.860 -19.803 -4.699 1.00 41.14 C ATOM 111 O LYS A 6 5.950 -20.604 -4.490 1.00 4.21 O ATOM 112 CB LYS A 6 6.875 -18.597 -2.443 1.00 72.31 C ATOM 113 CG LYS A 6 8.258 -18.333 -1.830 1.00 0.31 C ATOM 114 CD LYS A 6 8.582 -16.831 -1.809 1.00 73.33 C ATOM 115 CE LYS A 6 10.004 -16.551 -1.311 1.00 60.24 C ATOM 116 NZ LYS A 6 10.201 -16.987 0.082 1.00 42.44 N ATOM 0 H LYS A 6 4.968 -17.661 -3.830 1.00 0.04 H new ATOM 0 HA LYS A 6 7.841 -17.962 -4.210 1.00 54.02 H new ATOM 0 HB2 LYS A 6 6.151 -17.899 -2.023 1.00 72.31 H new ATOM 0 HB3 LYS A 6 6.543 -19.600 -2.175 1.00 72.31 H new ATOM 0 HG2 LYS A 6 8.290 -18.728 -0.815 1.00 0.31 H new ATOM 0 HG3 LYS A 6 9.019 -18.863 -2.402 1.00 0.31 H new ATOM 0 HD2 LYS A 6 8.463 -16.422 -2.812 1.00 73.33 H new ATOM 0 HD3 LYS A 6 7.867 -16.316 -1.168 1.00 73.33 H new ATOM 0 HE2 LYS A 6 10.720 -17.062 -1.955 1.00 60.24 H new ATOM 0 HE3 LYS A 6 10.211 -15.484 -1.389 1.00 60.24 H new ATOM 0 HZ1 LYS A 6 11.154 -16.717 0.399 1.00 42.44 H new ATOM 0 HZ2 LYS A 6 9.492 -16.532 0.692 1.00 42.44 H new ATOM 0 HZ3 LYS A 6 10.096 -18.020 0.141 1.00 42.44 H new ATOM 130 N ILE A 7 7.838 -20.014 -5.587 1.00 24.35 N ATOM 131 CA ILE A 7 7.912 -21.157 -6.484 1.00 25.13 C ATOM 132 C ILE A 7 8.319 -22.420 -5.716 1.00 31.23 C ATOM 133 O ILE A 7 9.311 -22.413 -4.990 1.00 52.42 O ATOM 134 CB ILE A 7 8.850 -20.840 -7.670 1.00 12.35 C ATOM 135 CG1 ILE A 7 10.279 -20.455 -7.225 1.00 61.51 C ATOM 136 CG2 ILE A 7 8.213 -19.731 -8.525 1.00 31.14 C ATOM 137 CD1 ILE A 7 11.241 -20.219 -8.392 1.00 60.13 C ATOM 0 H ILE A 7 8.621 -19.370 -5.699 1.00 24.35 H new ATOM 0 HA ILE A 7 6.926 -21.357 -6.904 1.00 25.13 H new ATOM 0 HB ILE A 7 8.965 -21.747 -8.263 1.00 12.35 H new ATOM 0 HG12 ILE A 7 10.230 -19.552 -6.617 1.00 61.51 H new ATOM 0 HG13 ILE A 7 10.678 -21.246 -6.590 1.00 61.51 H new ATOM 0 HG21 ILE A 7 8.867 -19.499 -9.366 1.00 31.14 H new ATOM 0 HG22 ILE A 7 7.247 -20.070 -8.899 1.00 31.14 H new ATOM 0 HG23 ILE A 7 8.073 -18.837 -7.917 1.00 31.14 H new ATOM 0 HD11 ILE A 7 12.224 -19.953 -8.005 1.00 60.13 H new ATOM 0 HD12 ILE A 7 11.320 -21.128 -8.988 1.00 60.13 H new ATOM 0 HD13 ILE A 7 10.865 -19.408 -9.015 1.00 60.13 H new ATOM 149 N GLN A 8 7.531 -23.493 -5.865 1.00 23.10 N ATOM 150 CA GLN A 8 7.751 -24.788 -5.229 1.00 51.04 C ATOM 151 C GLN A 8 7.279 -25.873 -6.203 1.00 23.30 C ATOM 152 O GLN A 8 6.199 -26.432 -6.030 1.00 22.14 O ATOM 153 CB GLN A 8 6.971 -24.862 -3.905 1.00 35.44 C ATOM 154 CG GLN A 8 7.468 -23.926 -2.794 1.00 3.01 C ATOM 155 CD GLN A 8 8.885 -24.251 -2.321 1.00 23.40 C ATOM 156 OE1 GLN A 8 9.758 -23.386 -2.329 1.00 22.24 O ATOM 157 NE2 GLN A 8 9.114 -25.493 -1.889 1.00 51.54 N ATOM 0 H GLN A 8 6.697 -23.478 -6.452 1.00 23.10 H new ATOM 0 HA GLN A 8 8.807 -24.931 -4.999 1.00 51.04 H new ATOM 0 HB2 GLN A 8 5.924 -24.635 -4.107 1.00 35.44 H new ATOM 0 HB3 GLN A 8 7.010 -25.887 -3.537 1.00 35.44 H new ATOM 0 HG2 GLN A 8 7.439 -22.898 -3.154 1.00 3.01 H new ATOM 0 HG3 GLN A 8 6.786 -23.986 -1.946 1.00 3.01 H new ATOM 0 HE21 GLN A 8 8.363 -26.183 -1.898 1.00 51.54 H new ATOM 0 HE22 GLN A 8 10.040 -25.752 -1.550 1.00 51.54 H new ATOM 166 N VAL A 9 8.079 -26.149 -7.242 1.00 33.14 N ATOM 167 CA VAL A 9 7.711 -27.041 -8.337 1.00 13.40 C ATOM 168 C VAL A 9 8.280 -28.440 -8.088 1.00 1.32 C ATOM 169 O VAL A 9 9.390 -28.749 -8.520 1.00 13.15 O ATOM 170 CB VAL A 9 8.202 -26.461 -9.669 1.00 62.11 C ATOM 171 CG1 VAL A 9 7.676 -27.276 -10.857 1.00 13.10 C ATOM 172 CG2 VAL A 9 7.755 -25.006 -9.856 1.00 33.10 C ATOM 0 H VAL A 9 9.013 -25.750 -7.342 1.00 33.14 H new ATOM 0 HA VAL A 9 6.626 -27.128 -8.388 1.00 13.40 H new ATOM 0 HB VAL A 9 9.291 -26.506 -9.637 1.00 62.11 H new ATOM 0 HG11 VAL A 9 8.041 -26.840 -11.787 1.00 13.10 H new ATOM 0 HG12 VAL A 9 8.027 -28.305 -10.776 1.00 13.10 H new ATOM 0 HG13 VAL A 9 6.586 -27.263 -10.853 1.00 13.10 H new ATOM 0 HG21 VAL A 9 8.123 -24.632 -10.811 1.00 33.10 H new ATOM 0 HG22 VAL A 9 6.666 -24.955 -9.842 1.00 33.10 H new ATOM 0 HG23 VAL A 9 8.157 -24.395 -9.048 1.00 33.10 H new ATOM 182 N TYR A 10 7.506 -29.274 -7.387 1.00 42.21 N ATOM 183 CA TYR A 10 7.897 -30.629 -7.000 1.00 33.31 C ATOM 184 C TYR A 10 7.067 -31.684 -7.734 1.00 60.22 C ATOM 185 O TYR A 10 5.937 -31.419 -8.140 1.00 63.52 O ATOM 186 CB TYR A 10 7.768 -30.804 -5.479 1.00 42.21 C ATOM 187 CG TYR A 10 6.356 -30.795 -4.920 1.00 63.11 C ATOM 188 CD1 TYR A 10 5.670 -32.009 -4.724 1.00 13.05 C ATOM 189 CD2 TYR A 10 5.755 -29.585 -4.525 1.00 53.12 C ATOM 190 CE1 TYR A 10 4.373 -32.011 -4.186 1.00 12.04 C ATOM 191 CE2 TYR A 10 4.455 -29.585 -3.989 1.00 25.41 C ATOM 192 CZ TYR A 10 3.759 -30.797 -3.831 1.00 0.11 C ATOM 193 OH TYR A 10 2.485 -30.793 -3.340 1.00 31.40 O ATOM 0 H TYR A 10 6.572 -29.019 -7.067 1.00 42.21 H new ATOM 0 HA TYR A 10 8.939 -30.772 -7.286 1.00 33.31 H new ATOM 0 HB2 TYR A 10 8.240 -31.746 -5.201 1.00 42.21 H new ATOM 0 HB3 TYR A 10 8.334 -30.009 -4.994 1.00 42.21 H new ATOM 0 HD1 TYR A 10 6.144 -32.943 -4.989 1.00 13.05 H new ATOM 0 HD2 TYR A 10 6.293 -28.655 -4.634 1.00 53.12 H new ATOM 0 HE1 TYR A 10 3.848 -32.944 -4.045 1.00 12.04 H new ATOM 0 HE2 TYR A 10 3.991 -28.654 -3.699 1.00 25.41 H new ATOM 0 HH TYR A 10 2.213 -29.872 -3.144 1.00 31.40 H new ATOM 203 N SER A 11 7.618 -32.895 -7.857 1.00 0.23 N ATOM 204 CA SER A 11 6.908 -34.083 -8.314 1.00 74.25 C ATOM 205 C SER A 11 6.381 -34.856 -7.105 1.00 65.32 C ATOM 206 O SER A 11 7.132 -35.128 -6.170 1.00 64.11 O ATOM 207 CB SER A 11 7.841 -34.967 -9.147 1.00 40.55 C ATOM 208 OG SER A 11 9.131 -35.042 -8.575 1.00 55.33 O ATOM 0 H SER A 11 8.597 -33.076 -7.634 1.00 0.23 H new ATOM 0 HA SER A 11 6.068 -33.784 -8.941 1.00 74.25 H new ATOM 0 HB2 SER A 11 7.419 -35.969 -9.228 1.00 40.55 H new ATOM 0 HB3 SER A 11 7.913 -34.569 -10.159 1.00 40.55 H new ATOM 0 HG SER A 11 9.702 -35.614 -9.129 1.00 55.33 H new ATOM 214 N ARG A 12 5.094 -35.223 -7.131 1.00 65.31 N ATOM 215 CA ARG A 12 4.468 -36.010 -6.077 1.00 52.14 C ATOM 216 C ARG A 12 5.014 -37.440 -6.113 1.00 71.44 C ATOM 217 O ARG A 12 5.509 -37.939 -5.103 1.00 20.10 O ATOM 218 CB ARG A 12 2.937 -35.979 -6.229 1.00 75.52 C ATOM 219 CG ARG A 12 2.157 -36.888 -5.263 1.00 63.23 C ATOM 220 CD ARG A 12 2.213 -36.414 -3.806 1.00 22.14 C ATOM 221 NE ARG A 12 3.542 -36.618 -3.217 1.00 11.03 N ATOM 222 CZ ARG A 12 4.050 -35.939 -2.174 1.00 11.11 C ATOM 223 NH1 ARG A 12 3.300 -35.073 -1.476 1.00 14.03 N ATOM 224 NH2 ARG A 12 5.330 -36.133 -1.832 1.00 45.35 N ATOM 0 H ARG A 12 4.459 -34.978 -7.891 1.00 65.31 H new ATOM 0 HA ARG A 12 4.708 -35.580 -5.104 1.00 52.14 H new ATOM 0 HB2 ARG A 12 2.596 -34.953 -6.090 1.00 75.52 H new ATOM 0 HB3 ARG A 12 2.685 -36.263 -7.251 1.00 75.52 H new ATOM 0 HG2 ARG A 12 1.116 -36.937 -5.582 1.00 63.23 H new ATOM 0 HG3 ARG A 12 2.557 -37.900 -5.324 1.00 63.23 H new ATOM 0 HD2 ARG A 12 1.952 -35.357 -3.757 1.00 22.14 H new ATOM 0 HD3 ARG A 12 1.469 -36.953 -3.220 1.00 22.14 H new ATOM 0 HE ARG A 12 4.131 -37.338 -3.636 1.00 11.03 H new ATOM 0 HH11 ARG A 12 2.325 -34.920 -1.733 1.00 14.03 H new ATOM 0 HH12 ARG A 12 3.705 -34.568 -0.688 1.00 14.03 H new ATOM 0 HH21 ARG A 12 5.905 -36.789 -2.361 1.00 45.35 H new ATOM 0 HH22 ARG A 12 5.730 -35.625 -1.043 1.00 45.35 H new ATOM 238 N HIS A 13 4.917 -38.086 -7.281 1.00 20.24 N ATOM 239 CA HIS A 13 5.430 -39.426 -7.532 1.00 34.12 C ATOM 240 C HIS A 13 6.942 -39.366 -7.775 1.00 24.22 C ATOM 241 O HIS A 13 7.461 -38.306 -8.125 1.00 41.33 O ATOM 242 CB HIS A 13 4.711 -40.001 -8.759 1.00 41.14 C ATOM 243 CG HIS A 13 3.275 -40.371 -8.496 1.00 61.41 C ATOM 244 ND1 HIS A 13 2.812 -41.674 -8.602 1.00 3.32 N ATOM 245 CD2 HIS A 13 2.180 -39.629 -8.122 1.00 24.34 C ATOM 246 CE1 HIS A 13 1.505 -41.660 -8.287 1.00 75.31 C ATOM 247 NE2 HIS A 13 1.059 -40.440 -7.981 1.00 34.31 N ATOM 0 H HIS A 13 4.465 -37.674 -8.097 1.00 20.24 H new ATOM 0 HA HIS A 13 5.248 -40.067 -6.669 1.00 34.12 H new ATOM 0 HB2 HIS A 13 4.747 -39.270 -9.567 1.00 41.14 H new ATOM 0 HB3 HIS A 13 5.248 -40.885 -9.104 1.00 41.14 H new ATOM 0 HD2 HIS A 13 2.189 -38.561 -7.960 1.00 24.34 H new ATOM 0 HE1 HIS A 13 0.882 -42.542 -8.282 1.00 75.31 H new ATOM 0 HE2 HIS A 13 0.115 -40.166 -7.707 1.00 34.31 H new ATOM 255 N PRO A 14 7.667 -40.487 -7.615 1.00 43.02 N ATOM 256 CA PRO A 14 9.079 -40.565 -7.948 1.00 14.12 C ATOM 257 C PRO A 14 9.262 -40.504 -9.468 1.00 62.33 C ATOM 258 O PRO A 14 8.427 -41.005 -10.221 1.00 3.02 O ATOM 259 CB PRO A 14 9.563 -41.895 -7.366 1.00 71.24 C ATOM 260 CG PRO A 14 8.309 -42.767 -7.400 1.00 2.32 C ATOM 261 CD PRO A 14 7.189 -41.767 -7.112 1.00 4.05 C ATOM 0 HA PRO A 14 9.653 -39.734 -7.538 1.00 14.12 H new ATOM 0 HB2 PRO A 14 10.369 -42.325 -7.960 1.00 71.24 H new ATOM 0 HB3 PRO A 14 9.944 -41.776 -6.352 1.00 71.24 H new ATOM 0 HG2 PRO A 14 8.180 -43.251 -8.368 1.00 2.32 H new ATOM 0 HG3 PRO A 14 8.347 -43.558 -6.651 1.00 2.32 H new ATOM 0 HD2 PRO A 14 6.264 -42.062 -7.607 1.00 4.05 H new ATOM 0 HD3 PRO A 14 6.976 -41.714 -6.044 1.00 4.05 H new ATOM 269 N ALA A 15 10.353 -39.865 -9.907 1.00 12.54 N ATOM 270 CA ALA A 15 10.647 -39.616 -11.312 1.00 42.31 C ATOM 271 C ALA A 15 11.275 -40.849 -11.962 1.00 15.25 C ATOM 272 O ALA A 15 12.460 -40.857 -12.290 1.00 1.22 O ATOM 273 CB ALA A 15 11.540 -38.379 -11.418 1.00 60.13 C ATOM 0 H ALA A 15 11.068 -39.501 -9.277 1.00 12.54 H new ATOM 0 HA ALA A 15 9.725 -39.420 -11.859 1.00 42.31 H new ATOM 0 HB1 ALA A 15 11.767 -38.183 -12.466 1.00 60.13 H new ATOM 0 HB2 ALA A 15 11.023 -37.519 -10.991 1.00 60.13 H new ATOM 0 HB3 ALA A 15 12.468 -38.552 -10.872 1.00 60.13 H new ATOM 279 N GLU A 16 10.454 -41.887 -12.159 1.00 14.33 N ATOM 280 CA GLU A 16 10.833 -43.128 -12.817 1.00 61.34 C ATOM 281 C GLU A 16 10.706 -42.963 -14.333 1.00 1.31 C ATOM 282 O GLU A 16 9.792 -42.294 -14.814 1.00 13.12 O ATOM 283 CB GLU A 16 9.935 -44.264 -12.314 1.00 41.44 C ATOM 284 CG GLU A 16 10.159 -44.551 -10.823 1.00 21.14 C ATOM 285 CD GLU A 16 9.244 -45.670 -10.332 1.00 22.55 C ATOM 286 OE1 GLU A 16 9.784 -46.749 -10.005 1.00 34.43 O ATOM 287 OE2 GLU A 16 8.018 -45.427 -10.292 1.00 51.43 O ATOM 0 H GLU A 16 9.481 -41.880 -11.854 1.00 14.33 H new ATOM 0 HA GLU A 16 11.869 -43.373 -12.583 1.00 61.34 H new ATOM 0 HB2 GLU A 16 8.890 -44.002 -12.481 1.00 41.44 H new ATOM 0 HB3 GLU A 16 10.133 -45.167 -12.892 1.00 41.44 H new ATOM 0 HG2 GLU A 16 11.200 -44.829 -10.656 1.00 21.14 H new ATOM 0 HG3 GLU A 16 9.974 -43.646 -10.244 1.00 21.14 H new ATOM 294 N ASN A 17 11.635 -43.572 -15.080 1.00 60.44 N ATOM 295 CA ASN A 17 11.708 -43.467 -16.531 1.00 40.02 C ATOM 296 C ASN A 17 10.501 -44.143 -17.184 1.00 45.21 C ATOM 297 O ASN A 17 10.267 -45.333 -16.978 1.00 63.42 O ATOM 298 CB ASN A 17 13.013 -44.100 -17.030 1.00 54.22 C ATOM 299 CG ASN A 17 14.241 -43.396 -16.459 1.00 0.40 C ATOM 300 OD1 ASN A 17 14.892 -43.910 -15.551 1.00 14.03 O ATOM 301 ND2 ASN A 17 14.557 -42.216 -16.993 1.00 72.43 N ATOM 0 H ASN A 17 12.366 -44.160 -14.680 1.00 60.44 H new ATOM 0 HA ASN A 17 11.695 -42.413 -16.808 1.00 40.02 H new ATOM 0 HB2 ASN A 17 13.036 -45.153 -16.751 1.00 54.22 H new ATOM 0 HB3 ASN A 17 13.044 -44.058 -18.119 1.00 54.22 H new ATOM 0 HD21 ASN A 17 15.368 -41.701 -16.649 1.00 72.43 H new ATOM 0 HD22 ASN A 17 13.988 -41.828 -17.745 1.00 72.43 H new ATOM 308 N GLY A 18 9.744 -43.373 -17.975 1.00 40.44 N ATOM 309 CA GLY A 18 8.578 -43.833 -18.713 1.00 2.53 C ATOM 310 C GLY A 18 7.489 -44.352 -17.778 1.00 33.54 C ATOM 311 O GLY A 18 7.058 -45.496 -17.916 1.00 3.12 O ATOM 0 H GLY A 18 9.939 -42.382 -18.119 1.00 40.44 H new ATOM 0 HA2 GLY A 18 8.182 -43.015 -19.315 1.00 2.53 H new ATOM 0 HA3 GLY A 18 8.872 -44.623 -19.403 1.00 2.53 H new ATOM 315 N LYS A 19 7.053 -43.517 -16.825 1.00 53.02 N ATOM 316 CA LYS A 19 6.089 -43.901 -15.803 1.00 61.12 C ATOM 317 C LYS A 19 5.413 -42.642 -15.260 1.00 1.51 C ATOM 318 O LYS A 19 6.096 -41.720 -14.822 1.00 60.13 O ATOM 319 CB LYS A 19 6.824 -44.658 -14.692 1.00 34.42 C ATOM 320 CG LYS A 19 5.929 -45.142 -13.546 1.00 13.40 C ATOM 321 CD LYS A 19 4.911 -46.191 -14.011 1.00 43.25 C ATOM 322 CE LYS A 19 4.180 -46.830 -12.826 1.00 21.42 C ATOM 323 NZ LYS A 19 3.409 -45.838 -12.056 1.00 43.03 N ATOM 0 H LYS A 19 7.366 -42.549 -16.747 1.00 53.02 H new ATOM 0 HA LYS A 19 5.321 -44.553 -16.219 1.00 61.12 H new ATOM 0 HB2 LYS A 19 7.328 -45.520 -15.130 1.00 34.42 H new ATOM 0 HB3 LYS A 19 7.599 -44.011 -14.281 1.00 34.42 H new ATOM 0 HG2 LYS A 19 6.550 -45.565 -12.756 1.00 13.40 H new ATOM 0 HG3 LYS A 19 5.401 -44.291 -13.115 1.00 13.40 H new ATOM 0 HD2 LYS A 19 4.186 -45.725 -14.678 1.00 43.25 H new ATOM 0 HD3 LYS A 19 5.421 -46.965 -14.585 1.00 43.25 H new ATOM 0 HE2 LYS A 19 3.509 -47.608 -13.190 1.00 21.42 H new ATOM 0 HE3 LYS A 19 4.904 -47.315 -12.171 1.00 21.42 H new ATOM 0 HZ1 LYS A 19 2.837 -46.325 -11.337 1.00 43.03 H new ATOM 0 HZ2 LYS A 19 4.062 -45.177 -11.589 1.00 43.03 H new ATOM 0 HZ3 LYS A 19 2.783 -45.311 -12.698 1.00 43.03 H new ATOM 337 N SER A 20 4.074 -42.620 -15.295 1.00 35.33 N ATOM 338 CA SER A 20 3.240 -41.452 -15.017 1.00 72.11 C ATOM 339 C SER A 20 3.537 -40.826 -13.649 1.00 24.11 C ATOM 340 O SER A 20 3.897 -41.528 -12.704 1.00 61.53 O ATOM 341 CB SER A 20 1.764 -41.840 -15.148 1.00 34.20 C ATOM 342 OG SER A 20 0.941 -40.696 -15.074 1.00 12.15 O ATOM 0 H SER A 20 3.525 -43.448 -15.527 1.00 35.33 H new ATOM 0 HA SER A 20 3.478 -40.684 -15.752 1.00 72.11 H new ATOM 0 HB2 SER A 20 1.600 -42.352 -16.096 1.00 34.20 H new ATOM 0 HB3 SER A 20 1.495 -42.540 -14.357 1.00 34.20 H new ATOM 0 HG SER A 20 0.002 -40.962 -15.161 1.00 12.15 H new ATOM 348 N ASN A 21 3.410 -39.494 -13.569 1.00 73.11 N ATOM 349 CA ASN A 21 3.866 -38.691 -12.443 1.00 14.21 C ATOM 350 C ASN A 21 3.080 -37.377 -12.400 1.00 3.00 C ATOM 351 O ASN A 21 2.834 -36.777 -13.441 1.00 61.43 O ATOM 352 CB ASN A 21 5.372 -38.437 -12.627 1.00 43.22 C ATOM 353 CG ASN A 21 6.053 -37.805 -11.411 1.00 3.32 C ATOM 354 OD1 ASN A 21 5.557 -36.843 -10.831 1.00 22.44 O ATOM 355 ND2 ASN A 21 7.205 -38.351 -11.016 1.00 41.14 N ATOM 0 H ASN A 21 2.976 -38.939 -14.307 1.00 73.11 H new ATOM 0 HA ASN A 21 3.699 -39.207 -11.497 1.00 14.21 H new ATOM 0 HB2 ASN A 21 5.864 -39.383 -12.854 1.00 43.22 H new ATOM 0 HB3 ASN A 21 5.517 -37.787 -13.490 1.00 43.22 H new ATOM 0 HD21 ASN A 21 7.700 -37.969 -10.210 1.00 41.14 H new ATOM 0 HD22 ASN A 21 7.590 -39.150 -11.520 1.00 41.14 H new ATOM 362 N PHE A 22 2.689 -36.927 -11.202 1.00 60.45 N ATOM 363 CA PHE A 22 1.968 -35.674 -11.007 1.00 23.44 C ATOM 364 C PHE A 22 2.926 -34.539 -10.643 1.00 32.42 C ATOM 365 O PHE A 22 3.669 -34.652 -9.670 1.00 13.51 O ATOM 366 CB PHE A 22 0.902 -35.860 -9.922 1.00 35.11 C ATOM 367 CG PHE A 22 -0.348 -36.545 -10.433 1.00 3.20 C ATOM 368 CD1 PHE A 22 -1.414 -35.765 -10.919 1.00 12.01 C ATOM 369 CD2 PHE A 22 -0.415 -37.949 -10.520 1.00 73.31 C ATOM 370 CE1 PHE A 22 -2.559 -36.382 -11.448 1.00 3.32 C ATOM 371 CE2 PHE A 22 -1.554 -38.566 -11.064 1.00 4.11 C ATOM 372 CZ PHE A 22 -2.630 -37.784 -11.519 1.00 21.25 C ATOM 0 H PHE A 22 2.869 -37.432 -10.334 1.00 60.45 H new ATOM 0 HA PHE A 22 1.479 -35.400 -11.942 1.00 23.44 H new ATOM 0 HB2 PHE A 22 1.322 -36.445 -9.104 1.00 35.11 H new ATOM 0 HB3 PHE A 22 0.634 -34.886 -9.512 1.00 35.11 H new ATOM 0 HD1 PHE A 22 -1.351 -34.687 -10.885 1.00 12.01 H new ATOM 0 HD2 PHE A 22 0.409 -38.552 -10.168 1.00 73.31 H new ATOM 0 HE1 PHE A 22 -3.384 -35.780 -11.800 1.00 3.32 H new ATOM 0 HE2 PHE A 22 -1.603 -39.643 -11.133 1.00 4.11 H new ATOM 0 HZ PHE A 22 -3.511 -38.260 -11.923 1.00 21.25 H new ATOM 382 N LEU A 23 2.880 -33.437 -11.408 1.00 31.22 N ATOM 383 CA LEU A 23 3.626 -32.210 -11.135 1.00 52.42 C ATOM 384 C LEU A 23 2.863 -31.395 -10.093 1.00 15.22 C ATOM 385 O LEU A 23 1.677 -31.638 -9.880 1.00 34.53 O ATOM 386 CB LEU A 23 3.787 -31.413 -12.441 1.00 4.43 C ATOM 387 CG LEU A 23 4.775 -30.234 -12.387 1.00 0.43 C ATOM 388 CD1 LEU A 23 6.180 -30.683 -11.970 1.00 34.33 C ATOM 389 CD2 LEU A 23 4.863 -29.586 -13.773 1.00 24.10 C ATOM 0 H LEU A 23 2.309 -33.378 -12.251 1.00 31.22 H new ATOM 0 HA LEU A 23 4.618 -32.443 -10.748 1.00 52.42 H new ATOM 0 HB2 LEU A 23 4.110 -32.098 -13.225 1.00 4.43 H new ATOM 0 HB3 LEU A 23 2.809 -31.030 -12.734 1.00 4.43 H new ATOM 0 HG LEU A 23 4.406 -29.527 -11.645 1.00 0.43 H new ATOM 0 HD11 LEU A 23 6.845 -29.820 -11.945 1.00 34.33 H new ATOM 0 HD12 LEU A 23 6.138 -31.138 -10.980 1.00 34.33 H new ATOM 0 HD13 LEU A 23 6.557 -31.411 -12.688 1.00 34.33 H new ATOM 0 HD21 LEU A 23 5.562 -28.750 -13.740 1.00 24.10 H new ATOM 0 HD22 LEU A 23 5.212 -30.322 -14.497 1.00 24.10 H new ATOM 0 HD23 LEU A 23 3.878 -29.224 -14.069 1.00 24.10 H new ATOM 401 N ASN A 24 3.528 -30.447 -9.422 1.00 74.42 N ATOM 402 CA ASN A 24 2.900 -29.611 -8.411 1.00 3.02 C ATOM 403 C ASN A 24 3.532 -28.224 -8.458 1.00 64.51 C ATOM 404 O ASN A 24 4.363 -27.904 -7.610 1.00 31.22 O ATOM 405 CB ASN A 24 3.067 -30.247 -7.022 1.00 2.10 C ATOM 406 CG ASN A 24 2.517 -31.670 -6.953 1.00 43.45 C ATOM 407 OD1 ASN A 24 1.367 -31.886 -6.578 1.00 62.13 O ATOM 408 ND2 ASN A 24 3.345 -32.647 -7.325 1.00 0.02 N ATOM 0 H ASN A 24 4.516 -30.244 -9.570 1.00 74.42 H new ATOM 0 HA ASN A 24 1.832 -29.523 -8.610 1.00 3.02 H new ATOM 0 HB2 ASN A 24 4.124 -30.258 -6.757 1.00 2.10 H new ATOM 0 HB3 ASN A 24 2.559 -29.630 -6.281 1.00 2.10 H new ATOM 0 HD21 ASN A 24 3.031 -33.617 -7.305 1.00 0.02 H new ATOM 0 HD22 ASN A 24 4.292 -32.424 -7.630 1.00 0.02 H new ATOM 415 N CYS A 25 3.131 -27.394 -9.434 1.00 12.01 N ATOM 416 CA CYS A 25 3.582 -26.007 -9.507 1.00 15.53 C ATOM 417 C CYS A 25 2.816 -25.181 -8.472 1.00 35.42 C ATOM 418 O CYS A 25 1.819 -24.531 -8.782 1.00 2.20 O ATOM 419 CB CYS A 25 3.480 -25.449 -10.933 1.00 3.40 C ATOM 420 SG CYS A 25 4.144 -23.766 -11.086 1.00 72.24 S ATOM 0 H CYS A 25 2.494 -27.666 -10.182 1.00 12.01 H new ATOM 0 HA CYS A 25 4.643 -25.951 -9.262 1.00 15.53 H new ATOM 0 HB2 CYS A 25 4.017 -26.109 -11.615 1.00 3.40 H new ATOM 0 HB3 CYS A 25 2.435 -25.451 -11.244 1.00 3.40 H new ATOM 425 N TYR A 26 3.289 -25.254 -7.223 1.00 61.53 N ATOM 426 CA TYR A 26 2.620 -24.724 -6.050 1.00 74.25 C ATOM 427 C TYR A 26 3.028 -23.265 -5.842 1.00 23.20 C ATOM 428 O TYR A 26 4.090 -22.986 -5.288 1.00 1.30 O ATOM 429 CB TYR A 26 2.964 -25.624 -4.857 1.00 15.34 C ATOM 430 CG TYR A 26 2.314 -25.238 -3.543 1.00 33.50 C ATOM 431 CD1 TYR A 26 3.006 -24.432 -2.620 1.00 24.13 C ATOM 432 CD2 TYR A 26 1.063 -25.777 -3.196 1.00 3.03 C ATOM 433 CE1 TYR A 26 2.447 -24.161 -1.360 1.00 23.10 C ATOM 434 CE2 TYR A 26 0.507 -25.516 -1.932 1.00 61.35 C ATOM 435 CZ TYR A 26 1.197 -24.704 -1.014 1.00 11.10 C ATOM 436 OH TYR A 26 0.658 -24.449 0.213 1.00 15.04 O ATOM 0 H TYR A 26 4.179 -25.701 -7.003 1.00 61.53 H new ATOM 0 HA TYR A 26 1.537 -24.726 -6.170 1.00 74.25 H new ATOM 0 HB2 TYR A 26 2.675 -26.647 -5.100 1.00 15.34 H new ATOM 0 HB3 TYR A 26 4.046 -25.622 -4.722 1.00 15.34 H new ATOM 0 HD1 TYR A 26 3.970 -24.021 -2.881 1.00 24.13 H new ATOM 0 HD2 TYR A 26 0.528 -26.394 -3.903 1.00 3.03 H new ATOM 0 HE1 TYR A 26 2.977 -23.536 -0.657 1.00 23.10 H new ATOM 0 HE2 TYR A 26 -0.450 -25.939 -1.665 1.00 61.35 H new ATOM 0 HH TYR A 26 -0.242 -24.076 0.104 1.00 15.04 H new ATOM 446 N VAL A 27 2.180 -22.341 -6.308 1.00 53.33 N ATOM 447 CA VAL A 27 2.415 -20.905 -6.240 1.00 13.12 C ATOM 448 C VAL A 27 1.730 -20.323 -5.002 1.00 22.44 C ATOM 449 O VAL A 27 0.504 -20.328 -4.914 1.00 52.42 O ATOM 450 CB VAL A 27 1.935 -20.217 -7.530 1.00 13.44 C ATOM 451 CG1 VAL A 27 2.919 -20.494 -8.675 1.00 11.42 C ATOM 452 CG2 VAL A 27 0.528 -20.632 -7.986 1.00 21.33 C ATOM 0 H VAL A 27 1.294 -22.582 -6.751 1.00 53.33 H new ATOM 0 HA VAL A 27 3.486 -20.721 -6.152 1.00 13.12 H new ATOM 0 HB VAL A 27 1.891 -19.155 -7.288 1.00 13.44 H new ATOM 0 HG11 VAL A 27 2.569 -20.002 -9.583 1.00 11.42 H new ATOM 0 HG12 VAL A 27 3.903 -20.108 -8.410 1.00 11.42 H new ATOM 0 HG13 VAL A 27 2.984 -21.568 -8.847 1.00 11.42 H new ATOM 0 HG21 VAL A 27 0.270 -20.099 -8.902 1.00 21.33 H new ATOM 0 HG22 VAL A 27 0.508 -21.706 -8.173 1.00 21.33 H new ATOM 0 HG23 VAL A 27 -0.194 -20.386 -7.208 1.00 21.33 H new ATOM 462 N SER A 28 2.521 -19.843 -4.034 1.00 65.12 N ATOM 463 CA SER A 28 2.004 -19.349 -2.765 1.00 33.43 C ATOM 464 C SER A 28 2.214 -17.841 -2.606 1.00 53.12 C ATOM 465 O SER A 28 3.348 -17.362 -2.620 1.00 71.45 O ATOM 466 CB SER A 28 2.658 -20.136 -1.624 1.00 20.52 C ATOM 467 OG SER A 28 4.064 -20.103 -1.725 1.00 5.50 O ATOM 0 H SER A 28 3.536 -19.789 -4.115 1.00 65.12 H new ATOM 0 HA SER A 28 0.925 -19.504 -2.738 1.00 33.43 H new ATOM 0 HB2 SER A 28 2.349 -19.718 -0.666 1.00 20.52 H new ATOM 0 HB3 SER A 28 2.313 -21.170 -1.647 1.00 20.52 H new ATOM 0 HG SER A 28 4.348 -19.222 -2.047 1.00 5.50 H new ATOM 473 N GLY A 29 1.113 -17.111 -2.385 1.00 12.05 N ATOM 474 CA GLY A 29 1.138 -15.774 -1.811 1.00 4.43 C ATOM 475 C GLY A 29 1.545 -14.681 -2.795 1.00 33.14 C ATOM 476 O GLY A 29 2.443 -13.900 -2.493 1.00 74.52 O ATOM 0 H GLY A 29 0.174 -17.442 -2.605 1.00 12.05 H new ATOM 0 HA2 GLY A 29 0.149 -15.542 -1.415 1.00 4.43 H new ATOM 0 HA3 GLY A 29 1.829 -15.765 -0.968 1.00 4.43 H new ATOM 480 N PHE A 30 0.864 -14.607 -3.944 1.00 1.21 N ATOM 481 CA PHE A 30 1.137 -13.638 -4.998 1.00 74.54 C ATOM 482 C PHE A 30 0.034 -12.582 -5.050 1.00 21.20 C ATOM 483 O PHE A 30 -1.085 -12.869 -5.465 1.00 15.02 O ATOM 484 CB PHE A 30 1.297 -14.367 -6.334 1.00 21.10 C ATOM 485 CG PHE A 30 0.197 -15.345 -6.691 1.00 24.35 C ATOM 486 CD1 PHE A 30 0.227 -16.662 -6.194 1.00 72.11 C ATOM 487 CD2 PHE A 30 -0.896 -14.915 -7.462 1.00 24.11 C ATOM 488 CE1 PHE A 30 -0.889 -17.496 -6.364 1.00 35.10 C ATOM 489 CE2 PHE A 30 -2.026 -15.734 -7.591 1.00 51.22 C ATOM 490 CZ PHE A 30 -2.041 -17.000 -6.991 1.00 53.34 C ATOM 0 H PHE A 30 0.092 -15.235 -4.167 1.00 1.21 H new ATOM 0 HA PHE A 30 2.070 -13.116 -4.785 1.00 74.54 H new ATOM 0 HB2 PHE A 30 1.365 -13.622 -7.126 1.00 21.10 H new ATOM 0 HB3 PHE A 30 2.245 -14.905 -6.321 1.00 21.10 H new ATOM 0 HD1 PHE A 30 1.105 -17.029 -5.684 1.00 72.11 H new ATOM 0 HD2 PHE A 30 -0.865 -13.954 -7.955 1.00 24.11 H new ATOM 0 HE1 PHE A 30 -0.861 -18.517 -6.013 1.00 35.10 H new ATOM 0 HE2 PHE A 30 -2.883 -15.390 -8.151 1.00 51.22 H new ATOM 0 HZ PHE A 30 -2.942 -17.595 -7.011 1.00 53.34 H new ATOM 500 N HIS A 31 0.346 -11.366 -4.596 1.00 25.33 N ATOM 501 CA HIS A 31 -0.638 -10.301 -4.430 1.00 24.32 C ATOM 502 C HIS A 31 -0.419 -9.181 -5.451 1.00 2.03 C ATOM 503 O HIS A 31 0.714 -8.726 -5.598 1.00 44.21 O ATOM 504 CB HIS A 31 -0.575 -9.744 -3.007 1.00 64.45 C ATOM 505 CG HIS A 31 -1.113 -10.708 -1.988 1.00 14.53 C ATOM 506 ND1 HIS A 31 -2.357 -10.541 -1.400 1.00 60.24 N ATOM 507 CD2 HIS A 31 -0.633 -11.895 -1.496 1.00 53.02 C ATOM 508 CE1 HIS A 31 -2.577 -11.616 -0.629 1.00 75.43 C ATOM 509 NE2 HIS A 31 -1.560 -12.480 -0.642 1.00 55.03 N ATOM 0 H HIS A 31 1.293 -11.094 -4.333 1.00 25.33 H new ATOM 0 HA HIS A 31 -1.628 -10.723 -4.603 1.00 24.32 H new ATOM 0 HB2 HIS A 31 0.458 -9.500 -2.761 1.00 64.45 H new ATOM 0 HB3 HIS A 31 -1.142 -8.815 -2.958 1.00 64.45 H new ATOM 0 HD1 HIS A 31 -2.987 -9.749 -1.529 1.00 60.24 H new ATOM 0 HD2 HIS A 31 0.331 -12.316 -1.739 1.00 53.02 H new ATOM 0 HE1 HIS A 31 -3.481 -11.767 -0.058 1.00 75.43 H new ATOM 517 N PRO A 32 -1.474 -8.705 -6.140 1.00 0.30 N ATOM 518 CA PRO A 32 -2.814 -9.284 -6.205 1.00 45.32 C ATOM 519 C PRO A 32 -2.774 -10.582 -7.022 1.00 51.33 C ATOM 520 O PRO A 32 -1.717 -10.961 -7.519 1.00 22.31 O ATOM 521 CB PRO A 32 -3.672 -8.215 -6.883 1.00 4.33 C ATOM 522 CG PRO A 32 -2.681 -7.553 -7.836 1.00 61.13 C ATOM 523 CD PRO A 32 -1.379 -7.563 -7.035 1.00 42.04 C ATOM 0 HA PRO A 32 -3.216 -9.546 -5.226 1.00 45.32 H new ATOM 0 HB2 PRO A 32 -4.518 -8.651 -7.415 1.00 4.33 H new ATOM 0 HB3 PRO A 32 -4.080 -7.505 -6.163 1.00 4.33 H new ATOM 0 HG2 PRO A 32 -2.586 -8.108 -8.769 1.00 61.13 H new ATOM 0 HG3 PRO A 32 -2.987 -6.540 -8.097 1.00 61.13 H new ATOM 0 HD2 PRO A 32 -0.515 -7.653 -7.694 1.00 42.04 H new ATOM 0 HD3 PRO A 32 -1.257 -6.636 -6.475 1.00 42.04 H new ATOM 531 N SER A 33 -3.912 -11.277 -7.154 1.00 31.24 N ATOM 532 CA SER A 33 -3.972 -12.610 -7.746 1.00 35.31 C ATOM 533 C SER A 33 -4.004 -12.577 -9.285 1.00 51.34 C ATOM 534 O SER A 33 -4.868 -13.201 -9.899 1.00 13.10 O ATOM 535 CB SER A 33 -5.170 -13.365 -7.153 1.00 12.45 C ATOM 536 OG SER A 33 -6.371 -12.672 -7.421 1.00 45.54 O ATOM 0 H SER A 33 -4.819 -10.924 -6.850 1.00 31.24 H new ATOM 0 HA SER A 33 -3.055 -13.144 -7.495 1.00 35.31 H new ATOM 0 HB2 SER A 33 -5.220 -14.369 -7.575 1.00 12.45 H new ATOM 0 HB3 SER A 33 -5.040 -13.478 -6.077 1.00 12.45 H new ATOM 0 HG SER A 33 -7.126 -13.166 -7.039 1.00 45.54 H new ATOM 542 N ASP A 34 -3.054 -11.862 -9.905 1.00 14.23 N ATOM 543 CA ASP A 34 -3.022 -11.593 -11.340 1.00 31.20 C ATOM 544 C ASP A 34 -1.983 -12.494 -12.020 1.00 20.10 C ATOM 545 O ASP A 34 -1.084 -12.000 -12.701 1.00 31.15 O ATOM 546 CB ASP A 34 -2.676 -10.110 -11.552 1.00 1.30 C ATOM 547 CG ASP A 34 -3.729 -9.121 -11.046 1.00 11.24 C ATOM 548 OD1 ASP A 34 -4.648 -9.546 -10.310 1.00 2.42 O ATOM 549 OD2 ASP A 34 -3.583 -7.931 -11.400 1.00 35.43 O ATOM 0 H ASP A 34 -2.269 -11.446 -9.404 1.00 14.23 H new ATOM 0 HA ASP A 34 -3.995 -11.806 -11.784 1.00 31.20 H new ATOM 0 HB2 ASP A 34 -1.731 -9.898 -11.052 1.00 1.30 H new ATOM 0 HB3 ASP A 34 -2.520 -9.938 -12.617 1.00 1.30 H new ATOM 554 N ILE A 35 -2.082 -13.811 -11.804 1.00 23.40 N ATOM 555 CA ILE A 35 -1.045 -14.766 -12.185 1.00 62.14 C ATOM 556 C ILE A 35 -1.408 -15.511 -13.470 1.00 4.30 C ATOM 557 O ILE A 35 -2.587 -15.665 -13.788 1.00 43.02 O ATOM 558 CB ILE A 35 -0.777 -15.733 -11.014 1.00 31.20 C ATOM 559 CG1 ILE A 35 0.584 -16.428 -11.184 1.00 12.41 C ATOM 560 CG2 ILE A 35 -1.931 -16.733 -10.827 1.00 64.31 C ATOM 561 CD1 ILE A 35 1.089 -17.008 -9.862 1.00 51.33 C ATOM 0 H ILE A 35 -2.891 -14.243 -11.357 1.00 23.40 H new ATOM 0 HA ILE A 35 -0.126 -14.219 -12.399 1.00 62.14 H new ATOM 0 HB ILE A 35 -0.729 -15.149 -10.095 1.00 31.20 H new ATOM 0 HG12 ILE A 35 0.496 -17.225 -11.922 1.00 12.41 H new ATOM 0 HG13 ILE A 35 1.312 -15.715 -11.571 1.00 12.41 H new ATOM 0 HG21 ILE A 35 -1.705 -17.397 -9.993 1.00 64.31 H new ATOM 0 HG22 ILE A 35 -2.853 -16.190 -10.619 1.00 64.31 H new ATOM 0 HG23 ILE A 35 -2.054 -17.321 -11.736 1.00 64.31 H new ATOM 0 HD11 ILE A 35 2.053 -17.491 -10.021 1.00 51.33 H new ATOM 0 HD12 ILE A 35 1.201 -16.206 -9.132 1.00 51.33 H new ATOM 0 HD13 ILE A 35 0.373 -17.741 -9.489 1.00 51.33 H new ATOM 573 N GLU A 36 -0.384 -15.998 -14.182 1.00 23.43 N ATOM 574 CA GLU A 36 -0.523 -16.895 -15.319 1.00 65.44 C ATOM 575 C GLU A 36 0.427 -18.078 -15.113 1.00 13.11 C ATOM 576 O GLU A 36 1.592 -18.027 -15.508 1.00 75.25 O ATOM 577 CB GLU A 36 -0.194 -16.159 -16.619 1.00 53.05 C ATOM 578 CG GLU A 36 -1.034 -14.897 -16.852 1.00 21.31 C ATOM 579 CD GLU A 36 -0.645 -14.233 -18.170 1.00 62.33 C ATOM 580 OE1 GLU A 36 0.421 -13.579 -18.186 1.00 51.22 O ATOM 581 OE2 GLU A 36 -1.413 -14.400 -19.143 1.00 0.34 O ATOM 0 H GLU A 36 0.587 -15.768 -13.971 1.00 23.43 H new ATOM 0 HA GLU A 36 -1.550 -17.253 -15.392 1.00 65.44 H new ATOM 0 HB2 GLU A 36 0.861 -15.885 -16.612 1.00 53.05 H new ATOM 0 HB3 GLU A 36 -0.341 -16.840 -17.457 1.00 53.05 H new ATOM 0 HG2 GLU A 36 -2.093 -15.155 -16.866 1.00 21.31 H new ATOM 0 HG3 GLU A 36 -0.888 -14.198 -16.029 1.00 21.31 H new ATOM 588 N VAL A 37 -0.083 -19.143 -14.485 1.00 41.34 N ATOM 589 CA VAL A 37 0.651 -20.375 -14.205 1.00 15.10 C ATOM 590 C VAL A 37 0.454 -21.332 -15.384 1.00 54.14 C ATOM 591 O VAL A 37 -0.169 -22.386 -15.256 1.00 31.40 O ATOM 592 CB VAL A 37 0.172 -20.994 -12.883 1.00 64.31 C ATOM 593 CG1 VAL A 37 1.124 -22.104 -12.416 1.00 44.13 C ATOM 594 CG2 VAL A 37 0.088 -19.956 -11.763 1.00 21.14 C ATOM 0 H VAL A 37 -1.046 -19.169 -14.149 1.00 41.34 H new ATOM 0 HA VAL A 37 1.715 -20.167 -14.091 1.00 15.10 H new ATOM 0 HB VAL A 37 -0.820 -21.400 -13.082 1.00 64.31 H new ATOM 0 HG11 VAL A 37 0.761 -22.524 -11.478 1.00 44.13 H new ATOM 0 HG12 VAL A 37 1.168 -22.888 -13.172 1.00 44.13 H new ATOM 0 HG13 VAL A 37 2.121 -21.689 -12.266 1.00 44.13 H new ATOM 0 HG21 VAL A 37 -0.255 -20.436 -10.847 1.00 21.14 H new ATOM 0 HG22 VAL A 37 1.073 -19.519 -11.597 1.00 21.14 H new ATOM 0 HG23 VAL A 37 -0.614 -19.172 -12.046 1.00 21.14 H new ATOM 604 N ASP A 38 0.966 -20.931 -16.550 1.00 14.20 N ATOM 605 CA ASP A 38 0.731 -21.605 -17.818 1.00 52.41 C ATOM 606 C ASP A 38 1.843 -22.628 -18.041 1.00 63.34 C ATOM 607 O ASP A 38 2.669 -22.480 -18.940 1.00 1.22 O ATOM 608 CB ASP A 38 0.642 -20.550 -18.930 1.00 72.23 C ATOM 609 CG ASP A 38 0.421 -21.163 -20.313 1.00 13.41 C ATOM 610 OD1 ASP A 38 -0.576 -21.904 -20.458 1.00 12.31 O ATOM 611 OD2 ASP A 38 1.256 -20.881 -21.201 1.00 40.15 O ATOM 0 H ASP A 38 1.567 -20.111 -16.635 1.00 14.20 H new ATOM 0 HA ASP A 38 -0.213 -22.150 -17.819 1.00 52.41 H new ATOM 0 HB2 ASP A 38 -0.174 -19.863 -18.708 1.00 72.23 H new ATOM 0 HB3 ASP A 38 1.560 -19.962 -18.941 1.00 72.23 H new ATOM 616 N LEU A 39 1.869 -23.663 -17.193 1.00 40.32 N ATOM 617 CA LEU A 39 2.940 -24.648 -17.162 1.00 21.33 C ATOM 618 C LEU A 39 3.114 -25.373 -18.493 1.00 1.34 C ATOM 619 O LEU A 39 2.173 -25.481 -19.278 1.00 4.11 O ATOM 620 CB LEU A 39 2.730 -25.627 -16.007 1.00 4.44 C ATOM 621 CG LEU A 39 1.471 -26.483 -16.221 1.00 71.13 C ATOM 622 CD1 LEU A 39 1.875 -27.940 -16.444 1.00 12.51 C ATOM 623 CD2 LEU A 39 0.535 -26.381 -15.012 1.00 0.40 C ATOM 0 H LEU A 39 1.136 -23.836 -16.505 1.00 40.32 H new ATOM 0 HA LEU A 39 3.872 -24.109 -16.992 1.00 21.33 H new ATOM 0 HB2 LEU A 39 3.601 -26.275 -15.914 1.00 4.44 H new ATOM 0 HB3 LEU A 39 2.642 -25.075 -15.071 1.00 4.44 H new ATOM 0 HG LEU A 39 0.941 -26.113 -17.099 1.00 71.13 H new ATOM 0 HD11 LEU A 39 0.982 -28.546 -16.596 1.00 12.51 H new ATOM 0 HD12 LEU A 39 2.514 -28.010 -17.324 1.00 12.51 H new ATOM 0 HD13 LEU A 39 2.417 -28.305 -15.572 1.00 12.51 H new ATOM 0 HD21 LEU A 39 -0.350 -26.994 -15.184 1.00 0.40 H new ATOM 0 HD22 LEU A 39 1.053 -26.733 -14.120 1.00 0.40 H new ATOM 0 HD23 LEU A 39 0.235 -25.343 -14.871 1.00 0.40 H new ATOM 635 N LEU A 40 4.349 -25.828 -18.734 1.00 64.11 N ATOM 636 CA LEU A 40 4.806 -26.287 -20.036 1.00 13.10 C ATOM 637 C LEU A 40 5.433 -27.678 -19.959 1.00 73.24 C ATOM 638 O LEU A 40 5.912 -28.103 -18.908 1.00 54.52 O ATOM 639 CB LEU A 40 5.823 -25.295 -20.625 1.00 62.32 C ATOM 640 CG LEU A 40 5.350 -23.832 -20.647 1.00 3.25 C ATOM 641 CD1 LEU A 40 6.475 -22.951 -21.203 1.00 55.11 C ATOM 642 CD2 LEU A 40 4.092 -23.647 -21.503 1.00 51.24 C ATOM 0 H LEU A 40 5.066 -25.886 -18.011 1.00 64.11 H new ATOM 0 HA LEU A 40 3.932 -26.345 -20.685 1.00 13.10 H new ATOM 0 HB2 LEU A 40 6.746 -25.356 -20.049 1.00 62.32 H new ATOM 0 HB3 LEU A 40 6.062 -25.601 -21.643 1.00 62.32 H new ATOM 0 HG LEU A 40 5.102 -23.544 -19.626 1.00 3.25 H new ATOM 0 HD11 LEU A 40 6.148 -21.912 -21.222 1.00 55.11 H new ATOM 0 HD12 LEU A 40 7.356 -23.042 -20.568 1.00 55.11 H new ATOM 0 HD13 LEU A 40 6.722 -23.272 -22.215 1.00 55.11 H new ATOM 0 HD21 LEU A 40 3.794 -22.599 -21.490 1.00 51.24 H new ATOM 0 HD22 LEU A 40 4.302 -23.952 -22.528 1.00 51.24 H new ATOM 0 HD23 LEU A 40 3.285 -24.259 -21.100 1.00 51.24 H new ATOM 654 N LYS A 41 5.450 -28.359 -21.112 1.00 23.20 N ATOM 655 CA LYS A 41 6.155 -29.608 -21.346 1.00 60.31 C ATOM 656 C LYS A 41 6.870 -29.493 -22.691 1.00 44.45 C ATOM 657 O LYS A 41 6.248 -29.613 -23.744 1.00 65.54 O ATOM 658 CB LYS A 41 5.199 -30.808 -21.259 1.00 41.13 C ATOM 659 CG LYS A 41 3.981 -30.781 -22.196 1.00 3.52 C ATOM 660 CD LYS A 41 2.961 -31.868 -21.828 1.00 51.13 C ATOM 661 CE LYS A 41 3.392 -33.272 -22.268 1.00 14.14 C ATOM 662 NZ LYS A 41 3.389 -33.416 -23.736 1.00 41.11 N ATOM 0 H LYS A 41 4.948 -28.033 -21.938 1.00 23.20 H new ATOM 0 HA LYS A 41 6.901 -29.788 -20.572 1.00 60.31 H new ATOM 0 HB2 LYS A 41 5.769 -31.714 -21.465 1.00 41.13 H new ATOM 0 HB3 LYS A 41 4.839 -30.884 -20.233 1.00 41.13 H new ATOM 0 HG2 LYS A 41 3.504 -29.802 -22.146 1.00 3.52 H new ATOM 0 HG3 LYS A 41 4.310 -30.923 -23.225 1.00 3.52 H new ATOM 0 HD2 LYS A 41 2.808 -31.863 -20.749 1.00 51.13 H new ATOM 0 HD3 LYS A 41 2.002 -31.628 -22.287 1.00 51.13 H new ATOM 0 HE2 LYS A 41 4.391 -33.481 -21.885 1.00 14.14 H new ATOM 0 HE3 LYS A 41 2.721 -34.011 -21.830 1.00 14.14 H new ATOM 0 HZ1 LYS A 41 3.486 -34.421 -23.986 1.00 41.11 H new ATOM 0 HZ2 LYS A 41 2.495 -33.048 -24.119 1.00 41.11 H new ATOM 0 HZ3 LYS A 41 4.185 -32.881 -24.139 1.00 41.11 H new ATOM 676 N ASN A 42 8.176 -29.204 -22.647 1.00 54.03 N ATOM 677 CA ASN A 42 8.992 -28.950 -23.829 1.00 44.52 C ATOM 678 C ASN A 42 8.357 -27.882 -24.730 1.00 23.55 C ATOM 679 O ASN A 42 8.318 -28.040 -25.950 1.00 54.34 O ATOM 680 CB ASN A 42 9.261 -30.267 -24.575 1.00 22.13 C ATOM 681 CG ASN A 42 9.787 -31.363 -23.649 1.00 44.21 C ATOM 682 OD1 ASN A 42 9.122 -32.377 -23.439 1.00 43.44 O ATOM 683 ND2 ASN A 42 10.982 -31.165 -23.087 1.00 45.41 N ATOM 0 H ASN A 42 8.699 -29.140 -21.773 1.00 54.03 H new ATOM 0 HA ASN A 42 9.954 -28.546 -23.513 1.00 44.52 H new ATOM 0 HB2 ASN A 42 8.341 -30.607 -25.050 1.00 22.13 H new ATOM 0 HB3 ASN A 42 9.984 -30.090 -25.371 1.00 22.13 H new ATOM 0 HD21 ASN A 42 11.373 -31.867 -22.459 1.00 45.41 H new ATOM 0 HD22 ASN A 42 11.504 -30.311 -23.285 1.00 45.41 H new ATOM 690 N GLY A 43 7.846 -26.800 -24.125 1.00 23.24 N ATOM 691 CA GLY A 43 7.232 -25.683 -24.830 1.00 45.43 C ATOM 692 C GLY A 43 5.711 -25.819 -24.974 1.00 41.44 C ATOM 693 O GLY A 43 5.028 -24.798 -25.031 1.00 43.12 O ATOM 0 H GLY A 43 7.852 -26.682 -23.112 1.00 23.24 H new ATOM 0 HA2 GLY A 43 7.458 -24.758 -24.299 1.00 45.43 H new ATOM 0 HA3 GLY A 43 7.678 -25.599 -25.821 1.00 45.43 H new ATOM 697 N GLU A 44 5.174 -27.047 -25.046 1.00 52.31 N ATOM 698 CA GLU A 44 3.749 -27.283 -25.268 1.00 11.41 C ATOM 699 C GLU A 44 2.960 -26.959 -24.001 1.00 73.41 C ATOM 700 O GLU A 44 3.434 -27.237 -22.903 1.00 2.10 O ATOM 701 CB GLU A 44 3.496 -28.751 -25.631 1.00 60.41 C ATOM 702 CG GLU A 44 4.347 -29.270 -26.793 1.00 3.31 C ATOM 703 CD GLU A 44 4.043 -30.743 -27.056 1.00 61.42 C ATOM 704 OE1 GLU A 44 3.518 -31.034 -28.153 1.00 41.13 O ATOM 705 OE2 GLU A 44 4.328 -31.553 -26.146 1.00 3.43 O ATOM 0 H GLU A 44 5.722 -27.902 -24.951 1.00 52.31 H new ATOM 0 HA GLU A 44 3.426 -26.641 -26.087 1.00 11.41 H new ATOM 0 HB2 GLU A 44 3.687 -29.368 -24.753 1.00 60.41 H new ATOM 0 HB3 GLU A 44 2.443 -28.874 -25.884 1.00 60.41 H new ATOM 0 HG2 GLU A 44 4.146 -28.684 -27.690 1.00 3.31 H new ATOM 0 HG3 GLU A 44 5.405 -29.146 -26.562 1.00 3.31 H new ATOM 712 N ARG A 45 1.746 -26.414 -24.149 1.00 54.11 N ATOM 713 CA ARG A 45 0.842 -26.158 -23.035 1.00 62.44 C ATOM 714 C ARG A 45 0.008 -27.416 -22.778 1.00 14.41 C ATOM 715 O ARG A 45 -0.324 -28.144 -23.715 1.00 4.51 O ATOM 716 CB ARG A 45 -0.073 -24.961 -23.333 1.00 44.44 C ATOM 717 CG ARG A 45 0.641 -23.598 -23.311 1.00 35.34 C ATOM 718 CD ARG A 45 1.676 -23.381 -24.423 1.00 11.20 C ATOM 719 NE ARG A 45 1.108 -23.657 -25.748 1.00 3.45 N ATOM 720 CZ ARG A 45 1.805 -23.790 -26.889 1.00 45.04 C ATOM 721 NH1 ARG A 45 3.141 -23.676 -26.908 1.00 52.12 N ATOM 722 NH2 ARG A 45 1.150 -24.043 -28.030 1.00 52.22 N ATOM 0 H ARG A 45 1.366 -26.138 -25.055 1.00 54.11 H new ATOM 0 HA ARG A 45 1.426 -25.913 -22.148 1.00 62.44 H new ATOM 0 HB2 ARG A 45 -0.530 -25.103 -24.312 1.00 44.44 H new ATOM 0 HB3 ARG A 45 -0.882 -24.946 -22.603 1.00 44.44 H new ATOM 0 HG2 ARG A 45 -0.111 -22.812 -23.379 1.00 35.34 H new ATOM 0 HG3 ARG A 45 1.138 -23.482 -22.348 1.00 35.34 H new ATOM 0 HD2 ARG A 45 2.039 -22.354 -24.388 1.00 11.20 H new ATOM 0 HD3 ARG A 45 2.536 -24.029 -24.253 1.00 11.20 H new ATOM 0 HE ARG A 45 0.095 -23.757 -25.808 1.00 3.45 H new ATOM 0 HH11 ARG A 45 3.649 -23.485 -26.044 1.00 52.12 H new ATOM 0 HH12 ARG A 45 3.649 -23.781 -27.786 1.00 52.12 H new ATOM 0 HH21 ARG A 45 0.134 -24.132 -28.026 1.00 52.22 H new ATOM 0 HH22 ARG A 45 1.667 -24.146 -28.903 1.00 52.22 H new ATOM 736 N ILE A 46 -0.321 -27.671 -21.506 1.00 4.24 N ATOM 737 CA ILE A 46 -1.095 -28.830 -21.083 1.00 35.44 C ATOM 738 C ILE A 46 -2.575 -28.458 -21.175 1.00 14.02 C ATOM 739 O ILE A 46 -3.000 -27.496 -20.538 1.00 1.23 O ATOM 740 CB ILE A 46 -0.701 -29.239 -19.648 1.00 71.43 C ATOM 741 CG1 ILE A 46 0.697 -29.877 -19.567 1.00 72.44 C ATOM 742 CG2 ILE A 46 -1.692 -30.264 -19.080 1.00 0.35 C ATOM 743 CD1 ILE A 46 1.838 -28.907 -19.876 1.00 35.24 C ATOM 0 H ILE A 46 -0.049 -27.063 -20.733 1.00 4.24 H new ATOM 0 HA ILE A 46 -0.894 -29.688 -21.725 1.00 35.44 H new ATOM 0 HB ILE A 46 -0.709 -28.313 -19.073 1.00 71.43 H new ATOM 0 HG12 ILE A 46 0.842 -30.286 -18.567 1.00 72.44 H new ATOM 0 HG13 ILE A 46 0.745 -30.714 -20.264 1.00 72.44 H new ATOM 0 HG21 ILE A 46 -1.393 -30.537 -18.068 1.00 0.35 H new ATOM 0 HG22 ILE A 46 -2.692 -29.830 -19.059 1.00 0.35 H new ATOM 0 HG23 ILE A 46 -1.696 -31.154 -19.709 1.00 0.35 H new ATOM 0 HD11 ILE A 46 2.791 -29.430 -19.799 1.00 35.24 H new ATOM 0 HD12 ILE A 46 1.720 -28.516 -20.887 1.00 35.24 H new ATOM 0 HD13 ILE A 46 1.818 -28.082 -19.163 1.00 35.24 H new ATOM 755 N GLU A 47 -3.361 -29.230 -21.938 1.00 34.23 N ATOM 756 CA GLU A 47 -4.804 -29.041 -22.060 1.00 51.53 C ATOM 757 C GLU A 47 -5.527 -29.854 -20.975 1.00 20.31 C ATOM 758 O GLU A 47 -6.400 -30.668 -21.270 1.00 4.10 O ATOM 759 CB GLU A 47 -5.235 -29.412 -23.491 1.00 54.22 C ATOM 760 CG GLU A 47 -6.647 -28.925 -23.852 1.00 53.04 C ATOM 761 CD GLU A 47 -6.747 -27.402 -23.863 1.00 23.13 C ATOM 762 OE1 GLU A 47 -7.377 -26.863 -22.927 1.00 62.21 O ATOM 763 OE2 GLU A 47 -6.191 -26.803 -24.809 1.00 11.03 O ATOM 0 H GLU A 47 -3.005 -30.009 -22.491 1.00 34.23 H new ATOM 0 HA GLU A 47 -5.079 -27.999 -21.898 1.00 51.53 H new ATOM 0 HB2 GLU A 47 -4.522 -28.989 -24.198 1.00 54.22 H new ATOM 0 HB3 GLU A 47 -5.193 -30.495 -23.605 1.00 54.22 H new ATOM 0 HG2 GLU A 47 -6.923 -29.313 -24.833 1.00 53.04 H new ATOM 0 HG3 GLU A 47 -7.363 -29.329 -23.136 1.00 53.04 H new ATOM 770 N LYS A 48 -5.138 -29.624 -19.715 1.00 1.20 N ATOM 771 CA LYS A 48 -5.656 -30.257 -18.507 1.00 51.52 C ATOM 772 C LYS A 48 -4.953 -29.608 -17.307 1.00 33.23 C ATOM 773 O LYS A 48 -4.257 -30.278 -16.544 1.00 63.42 O ATOM 774 CB LYS A 48 -5.446 -31.787 -18.525 1.00 45.13 C ATOM 775 CG LYS A 48 -6.269 -32.469 -17.418 1.00 65.14 C ATOM 776 CD LYS A 48 -5.813 -33.907 -17.143 1.00 21.11 C ATOM 777 CE LYS A 48 -6.059 -34.837 -18.335 1.00 72.14 C ATOM 778 NZ LYS A 48 -5.703 -36.228 -18.006 1.00 1.43 N ATOM 0 H LYS A 48 -4.406 -28.946 -19.504 1.00 1.20 H new ATOM 0 HA LYS A 48 -6.733 -30.105 -18.441 1.00 51.52 H new ATOM 0 HB2 LYS A 48 -5.736 -32.186 -19.497 1.00 45.13 H new ATOM 0 HB3 LYS A 48 -4.389 -32.014 -18.390 1.00 45.13 H new ATOM 0 HG2 LYS A 48 -6.191 -31.886 -16.501 1.00 65.14 H new ATOM 0 HG3 LYS A 48 -7.321 -32.474 -17.704 1.00 65.14 H new ATOM 0 HD2 LYS A 48 -4.751 -33.908 -16.899 1.00 21.11 H new ATOM 0 HD3 LYS A 48 -6.341 -34.292 -16.271 1.00 21.11 H new ATOM 0 HE2 LYS A 48 -7.107 -34.787 -18.629 1.00 72.14 H new ATOM 0 HE3 LYS A 48 -5.472 -34.501 -19.190 1.00 72.14 H new ATOM 0 HZ1 LYS A 48 -5.880 -36.836 -18.831 1.00 1.43 H new ATOM 0 HZ2 LYS A 48 -4.697 -36.277 -17.749 1.00 1.43 H new ATOM 0 HZ3 LYS A 48 -6.281 -36.554 -17.206 1.00 1.43 H new ATOM 792 N VAL A 49 -5.116 -28.289 -17.154 1.00 3.21 N ATOM 793 CA VAL A 49 -4.553 -27.548 -16.036 1.00 3.02 C ATOM 794 C VAL A 49 -5.533 -27.668 -14.869 1.00 33.10 C ATOM 795 O VAL A 49 -6.610 -27.075 -14.900 1.00 13.53 O ATOM 796 CB VAL A 49 -4.338 -26.077 -16.420 1.00 24.25 C ATOM 797 CG1 VAL A 49 -3.641 -25.322 -15.285 1.00 33.40 C ATOM 798 CG2 VAL A 49 -3.497 -25.942 -17.695 1.00 65.23 C ATOM 0 H VAL A 49 -5.644 -27.711 -17.807 1.00 3.21 H new ATOM 0 HA VAL A 49 -3.581 -27.953 -15.757 1.00 3.02 H new ATOM 0 HB VAL A 49 -5.323 -25.647 -16.602 1.00 24.25 H new ATOM 0 HG11 VAL A 49 -3.497 -24.281 -15.575 1.00 33.40 H new ATOM 0 HG12 VAL A 49 -4.257 -25.366 -14.387 1.00 33.40 H new ATOM 0 HG13 VAL A 49 -2.673 -25.780 -15.084 1.00 33.40 H new ATOM 0 HG21 VAL A 49 -3.366 -24.887 -17.935 1.00 65.23 H new ATOM 0 HG22 VAL A 49 -2.521 -26.402 -17.538 1.00 65.23 H new ATOM 0 HG23 VAL A 49 -4.005 -26.441 -18.520 1.00 65.23 H new ATOM 808 N GLU A 50 -5.157 -28.446 -13.852 1.00 2.21 N ATOM 809 CA GLU A 50 -5.981 -28.712 -12.680 1.00 52.22 C ATOM 810 C GLU A 50 -5.456 -27.872 -11.521 1.00 45.05 C ATOM 811 O GLU A 50 -4.263 -27.912 -11.226 1.00 33.10 O ATOM 812 CB GLU A 50 -5.948 -30.199 -12.323 1.00 24.15 C ATOM 813 CG GLU A 50 -6.414 -31.096 -13.475 1.00 51.33 C ATOM 814 CD GLU A 50 -6.312 -32.571 -13.097 1.00 64.13 C ATOM 815 OE1 GLU A 50 -7.276 -33.067 -12.473 1.00 24.25 O ATOM 816 OE2 GLU A 50 -5.271 -33.177 -13.433 1.00 43.12 O ATOM 0 H GLU A 50 -4.252 -28.916 -13.823 1.00 2.21 H new ATOM 0 HA GLU A 50 -7.017 -28.447 -12.891 1.00 52.22 H new ATOM 0 HB2 GLU A 50 -4.933 -30.478 -12.039 1.00 24.15 H new ATOM 0 HB3 GLU A 50 -6.582 -30.373 -11.453 1.00 24.15 H new ATOM 0 HG2 GLU A 50 -7.445 -30.854 -13.735 1.00 51.33 H new ATOM 0 HG3 GLU A 50 -5.808 -30.901 -14.360 1.00 51.33 H new ATOM 823 N HIS A 51 -6.345 -27.095 -10.894 1.00 54.33 N ATOM 824 CA HIS A 51 -5.989 -26.051 -9.942 1.00 2.01 C ATOM 825 C HIS A 51 -7.133 -25.828 -8.949 1.00 54.43 C ATOM 826 O HIS A 51 -8.292 -26.100 -9.261 1.00 1.34 O ATOM 827 CB HIS A 51 -5.642 -24.769 -10.708 1.00 71.22 C ATOM 828 CG HIS A 51 -6.730 -24.323 -11.652 1.00 4.41 C ATOM 829 ND1 HIS A 51 -6.780 -24.728 -12.978 1.00 51.02 N ATOM 830 CD2 HIS A 51 -7.852 -23.552 -11.469 1.00 42.04 C ATOM 831 CE1 HIS A 51 -7.888 -24.193 -13.518 1.00 1.21 C ATOM 832 NE2 HIS A 51 -8.588 -23.464 -12.647 1.00 25.30 N ATOM 0 H HIS A 51 -7.351 -27.180 -11.041 1.00 54.33 H new ATOM 0 HA HIS A 51 -5.115 -26.354 -9.366 1.00 2.01 H new ATOM 0 HB2 HIS A 51 -5.441 -23.971 -9.994 1.00 71.22 H new ATOM 0 HB3 HIS A 51 -4.724 -24.929 -11.273 1.00 71.22 H new ATOM 0 HD2 HIS A 51 -8.126 -23.079 -10.538 1.00 42.04 H new ATOM 0 HE1 HIS A 51 -8.181 -24.338 -14.547 1.00 1.21 H new ATOM 0 HE2 HIS A 51 -9.460 -22.959 -12.807 1.00 25.30 H new ATOM 840 N SER A 52 -6.799 -25.341 -7.746 1.00 2.23 N ATOM 841 CA SER A 52 -7.749 -25.142 -6.655 1.00 14.00 C ATOM 842 C SER A 52 -8.609 -23.891 -6.862 1.00 45.15 C ATOM 843 O SER A 52 -8.399 -23.124 -7.801 1.00 13.24 O ATOM 844 CB SER A 52 -6.995 -25.079 -5.321 1.00 45.23 C ATOM 845 OG SER A 52 -6.216 -23.905 -5.246 1.00 32.22 O ATOM 0 H SER A 52 -5.845 -25.072 -7.505 1.00 2.23 H new ATOM 0 HA SER A 52 -8.433 -25.991 -6.640 1.00 14.00 H new ATOM 0 HB2 SER A 52 -7.705 -25.104 -4.494 1.00 45.23 H new ATOM 0 HB3 SER A 52 -6.354 -25.955 -5.218 1.00 45.23 H new ATOM 0 HG SER A 52 -5.743 -23.880 -4.388 1.00 32.22 H new ATOM 851 N ASP A 53 -9.575 -23.691 -5.956 1.00 72.12 N ATOM 852 CA ASP A 53 -10.554 -22.612 -5.990 1.00 3.55 C ATOM 853 C ASP A 53 -10.062 -21.373 -5.227 1.00 52.33 C ATOM 854 O ASP A 53 -10.823 -20.774 -4.470 1.00 45.45 O ATOM 855 CB ASP A 53 -11.889 -23.142 -5.440 1.00 1.14 C ATOM 856 CG ASP A 53 -11.802 -23.590 -3.978 1.00 34.34 C ATOM 857 OD1 ASP A 53 -11.118 -24.608 -3.730 1.00 42.15 O ATOM 858 OD2 ASP A 53 -12.423 -22.910 -3.132 1.00 14.14 O ATOM 0 H ASP A 53 -9.695 -24.304 -5.150 1.00 72.12 H new ATOM 0 HA ASP A 53 -10.700 -22.285 -7.020 1.00 3.55 H new ATOM 0 HB2 ASP A 53 -12.647 -22.364 -5.531 1.00 1.14 H new ATOM 0 HB3 ASP A 53 -12.219 -23.981 -6.052 1.00 1.14 H new ATOM 863 N LEU A 54 -8.798 -20.978 -5.444 1.00 72.41 N ATOM 864 CA LEU A 54 -8.158 -19.831 -4.806 1.00 52.04 C ATOM 865 C LEU A 54 -8.213 -19.966 -3.279 1.00 1.13 C ATOM 866 O LEU A 54 -9.068 -19.374 -2.623 1.00 43.24 O ATOM 867 CB LEU A 54 -8.784 -18.519 -5.314 1.00 13.24 C ATOM 868 CG LEU A 54 -7.997 -17.277 -4.862 1.00 35.15 C ATOM 869 CD1 LEU A 54 -6.736 -17.078 -5.710 1.00 72.34 C ATOM 870 CD2 LEU A 54 -8.873 -16.026 -4.990 1.00 31.44 C ATOM 0 H LEU A 54 -8.179 -21.468 -6.090 1.00 72.41 H new ATOM 0 HA LEU A 54 -7.103 -19.805 -5.080 1.00 52.04 H new ATOM 0 HB2 LEU A 54 -8.830 -18.540 -6.403 1.00 13.24 H new ATOM 0 HB3 LEU A 54 -9.810 -18.446 -4.953 1.00 13.24 H new ATOM 0 HG LEU A 54 -7.706 -17.432 -3.823 1.00 35.15 H new ATOM 0 HD11 LEU A 54 -6.202 -16.192 -5.366 1.00 72.34 H new ATOM 0 HD12 LEU A 54 -6.091 -17.951 -5.613 1.00 72.34 H new ATOM 0 HD13 LEU A 54 -7.017 -16.949 -6.755 1.00 72.34 H new ATOM 0 HD21 LEU A 54 -8.308 -15.151 -4.668 1.00 31.44 H new ATOM 0 HD22 LEU A 54 -9.177 -15.899 -6.029 1.00 31.44 H new ATOM 0 HD23 LEU A 54 -9.759 -16.136 -4.364 1.00 31.44 H new ATOM 882 N SER A 55 -7.296 -20.762 -2.719 1.00 5.32 N ATOM 883 CA SER A 55 -7.296 -21.129 -1.308 1.00 31.51 C ATOM 884 C SER A 55 -6.485 -20.118 -0.496 1.00 72.31 C ATOM 885 O SER A 55 -5.397 -19.723 -0.909 1.00 24.11 O ATOM 886 CB SER A 55 -6.741 -22.546 -1.140 1.00 15.14 C ATOM 887 OG SER A 55 -7.484 -23.468 -1.911 1.00 73.33 O ATOM 0 H SER A 55 -6.524 -21.173 -3.245 1.00 5.32 H new ATOM 0 HA SER A 55 -8.319 -21.114 -0.933 1.00 31.51 H new ATOM 0 HB2 SER A 55 -5.694 -22.570 -1.444 1.00 15.14 H new ATOM 0 HB3 SER A 55 -6.775 -22.833 -0.089 1.00 15.14 H new ATOM 0 HG SER A 55 -7.113 -24.367 -1.792 1.00 73.33 H new ATOM 893 N PHE A 56 -7.034 -19.692 0.649 1.00 33.15 N ATOM 894 CA PHE A 56 -6.510 -18.606 1.470 1.00 15.43 C ATOM 895 C PHE A 56 -5.806 -19.178 2.703 1.00 21.35 C ATOM 896 O PHE A 56 -6.436 -19.882 3.490 1.00 1.02 O ATOM 897 CB PHE A 56 -7.671 -17.696 1.892 1.00 44.32 C ATOM 898 CG PHE A 56 -8.623 -17.326 0.769 1.00 54.24 C ATOM 899 CD1 PHE A 56 -8.307 -16.279 -0.118 1.00 2.13 C ATOM 900 CD2 PHE A 56 -9.811 -18.060 0.589 1.00 23.11 C ATOM 901 CE1 PHE A 56 -9.189 -15.957 -1.165 1.00 52.23 C ATOM 902 CE2 PHE A 56 -10.691 -17.736 -0.457 1.00 42.31 C ATOM 903 CZ PHE A 56 -10.382 -16.681 -1.333 1.00 5.52 C ATOM 0 H PHE A 56 -7.880 -20.110 1.036 1.00 33.15 H new ATOM 0 HA PHE A 56 -5.786 -18.026 0.898 1.00 15.43 H new ATOM 0 HB2 PHE A 56 -8.236 -18.192 2.681 1.00 44.32 H new ATOM 0 HB3 PHE A 56 -7.261 -16.781 2.320 1.00 44.32 H new ATOM 0 HD1 PHE A 56 -7.389 -15.724 0.006 1.00 2.13 H new ATOM 0 HD2 PHE A 56 -10.047 -18.875 1.257 1.00 23.11 H new ATOM 0 HE1 PHE A 56 -8.949 -15.151 -1.842 1.00 52.23 H new ATOM 0 HE2 PHE A 56 -11.604 -18.297 -0.588 1.00 42.31 H new ATOM 0 HZ PHE A 56 -11.060 -16.427 -2.134 1.00 5.52 H new ATOM 913 N SER A 57 -4.508 -18.893 2.877 1.00 54.41 N ATOM 914 CA SER A 57 -3.733 -19.415 3.999 1.00 51.43 C ATOM 915 C SER A 57 -4.224 -18.825 5.323 1.00 51.15 C ATOM 916 O SER A 57 -4.535 -19.564 6.255 1.00 72.34 O ATOM 917 CB SER A 57 -2.242 -19.111 3.819 1.00 53.01 C ATOM 918 OG SER A 57 -1.769 -19.560 2.568 1.00 43.44 O ATOM 0 H SER A 57 -3.973 -18.297 2.245 1.00 54.41 H new ATOM 0 HA SER A 57 -3.872 -20.496 4.023 1.00 51.43 H new ATOM 0 HB2 SER A 57 -2.075 -18.037 3.908 1.00 53.01 H new ATOM 0 HB3 SER A 57 -1.673 -19.589 4.617 1.00 53.01 H new ATOM 0 HG SER A 57 -2.402 -20.207 2.192 1.00 43.44 H new ATOM 924 N LYS A 58 -4.271 -17.490 5.397 1.00 71.12 N ATOM 925 CA LYS A 58 -4.678 -16.737 6.576 1.00 23.30 C ATOM 926 C LYS A 58 -5.317 -15.418 6.133 1.00 11.34 C ATOM 927 O LYS A 58 -5.033 -14.364 6.701 1.00 41.32 O ATOM 928 CB LYS A 58 -3.468 -16.541 7.508 1.00 11.45 C ATOM 929 CG LYS A 58 -2.251 -15.917 6.805 1.00 20.21 C ATOM 930 CD LYS A 58 -1.114 -15.684 7.805 1.00 72.43 C ATOM 931 CE LYS A 58 0.097 -15.064 7.102 1.00 73.43 C ATOM 932 NZ LYS A 58 1.214 -14.853 8.038 1.00 73.22 N ATOM 0 H LYS A 58 -4.018 -16.891 4.611 1.00 71.12 H new ATOM 0 HA LYS A 58 -5.428 -17.284 7.147 1.00 23.30 H new ATOM 0 HB2 LYS A 58 -3.761 -15.905 8.343 1.00 11.45 H new ATOM 0 HB3 LYS A 58 -3.181 -17.506 7.927 1.00 11.45 H new ATOM 0 HG2 LYS A 58 -1.910 -16.573 6.004 1.00 20.21 H new ATOM 0 HG3 LYS A 58 -2.536 -14.972 6.343 1.00 20.21 H new ATOM 0 HD2 LYS A 58 -1.454 -15.026 8.605 1.00 72.43 H new ATOM 0 HD3 LYS A 58 -0.829 -16.629 8.268 1.00 72.43 H new ATOM 0 HE2 LYS A 58 0.420 -15.715 6.289 1.00 73.43 H new ATOM 0 HE3 LYS A 58 -0.189 -14.112 6.654 1.00 73.43 H new ATOM 0 HZ1 LYS A 58 2.018 -14.432 7.530 1.00 73.22 H new ATOM 0 HZ2 LYS A 58 0.912 -14.213 8.800 1.00 73.22 H new ATOM 0 HZ3 LYS A 58 1.502 -15.765 8.446 1.00 73.22 H new ATOM 946 N ASP A 59 -6.165 -15.490 5.096 1.00 0.20 N ATOM 947 CA ASP A 59 -6.743 -14.345 4.404 1.00 60.12 C ATOM 948 C ASP A 59 -5.648 -13.353 3.996 1.00 22.34 C ATOM 949 O ASP A 59 -5.739 -12.157 4.269 1.00 41.44 O ATOM 950 CB ASP A 59 -7.862 -13.717 5.251 1.00 13.10 C ATOM 951 CG ASP A 59 -8.666 -12.681 4.466 1.00 33.32 C ATOM 952 OD1 ASP A 59 -9.220 -13.065 3.412 1.00 21.25 O ATOM 953 OD2 ASP A 59 -8.712 -11.521 4.931 1.00 64.35 O ATOM 0 H ASP A 59 -6.473 -16.382 4.708 1.00 0.20 H new ATOM 0 HA ASP A 59 -7.211 -14.675 3.476 1.00 60.12 H new ATOM 0 HB2 ASP A 59 -8.531 -14.501 5.606 1.00 13.10 H new ATOM 0 HB3 ASP A 59 -7.427 -13.246 6.133 1.00 13.10 H new ATOM 958 N GLY A 60 -4.589 -13.865 3.356 1.00 24.15 N ATOM 959 CA GLY A 60 -3.469 -13.038 2.939 1.00 65.31 C ATOM 960 C GLY A 60 -2.341 -13.822 2.270 1.00 42.21 C ATOM 961 O GLY A 60 -1.210 -13.346 2.282 1.00 21.14 O ATOM 0 H GLY A 60 -4.492 -14.852 3.119 1.00 24.15 H new ATOM 0 HA2 GLY A 60 -3.829 -12.276 2.248 1.00 65.31 H new ATOM 0 HA3 GLY A 60 -3.070 -12.516 3.809 1.00 65.31 H new ATOM 965 N SER A 61 -2.636 -14.981 1.662 1.00 13.00 N ATOM 966 CA SER A 61 -1.726 -15.700 0.778 1.00 41.42 C ATOM 967 C SER A 61 -2.528 -16.709 -0.043 1.00 74.45 C ATOM 968 O SER A 61 -3.141 -17.616 0.517 1.00 33.35 O ATOM 969 CB SER A 61 -0.595 -16.407 1.542 1.00 22.31 C ATOM 970 OG SER A 61 0.434 -15.514 1.911 1.00 2.01 O ATOM 0 H SER A 61 -3.535 -15.449 1.778 1.00 13.00 H new ATOM 0 HA SER A 61 -1.247 -14.973 0.122 1.00 41.42 H new ATOM 0 HB2 SER A 61 -1.002 -16.880 2.436 1.00 22.31 H new ATOM 0 HB3 SER A 61 -0.180 -17.201 0.922 1.00 22.31 H new ATOM 0 HG SER A 61 0.050 -14.631 2.096 1.00 2.01 H new ATOM 976 N PHE A 62 -2.514 -16.540 -1.371 1.00 35.42 N ATOM 977 CA PHE A 62 -3.257 -17.363 -2.312 1.00 32.55 C ATOM 978 C PHE A 62 -2.423 -18.590 -2.689 1.00 43.51 C ATOM 979 O PHE A 62 -1.519 -18.472 -3.513 1.00 64.24 O ATOM 980 CB PHE A 62 -3.582 -16.527 -3.556 1.00 0.43 C ATOM 981 CG PHE A 62 -4.209 -15.175 -3.276 1.00 32.35 C ATOM 982 CD1 PHE A 62 -3.453 -14.004 -3.464 1.00 53.11 C ATOM 983 CD2 PHE A 62 -5.556 -15.078 -2.882 1.00 41.55 C ATOM 984 CE1 PHE A 62 -4.064 -12.744 -3.362 1.00 1.31 C ATOM 985 CE2 PHE A 62 -6.159 -13.814 -2.746 1.00 41.41 C ATOM 986 CZ PHE A 62 -5.418 -12.648 -3.003 1.00 5.11 C ATOM 0 H PHE A 62 -1.969 -15.806 -1.825 1.00 35.42 H new ATOM 0 HA PHE A 62 -4.188 -17.704 -1.859 1.00 32.55 H new ATOM 0 HB2 PHE A 62 -2.663 -16.374 -4.122 1.00 0.43 H new ATOM 0 HB3 PHE A 62 -4.257 -17.099 -4.193 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -2.399 -14.074 -3.688 1.00 53.11 H new ATOM 0 HD2 PHE A 62 -6.127 -15.973 -2.684 1.00 41.55 H new ATOM 0 HE1 PHE A 62 -3.493 -11.849 -3.560 1.00 1.31 H new ATOM 0 HE2 PHE A 62 -7.193 -13.740 -2.444 1.00 41.41 H new ATOM 0 HZ PHE A 62 -5.889 -11.679 -2.924 1.00 5.11 H new ATOM 996 N TYR A 63 -2.695 -19.751 -2.077 1.00 33.20 N ATOM 997 CA TYR A 63 -1.898 -20.957 -2.285 1.00 24.30 C ATOM 998 C TYR A 63 -2.619 -21.981 -3.163 1.00 23.35 C ATOM 999 O TYR A 63 -3.519 -22.680 -2.704 1.00 41.04 O ATOM 1000 CB TYR A 63 -1.424 -21.534 -0.945 1.00 54.22 C ATOM 1001 CG TYR A 63 -2.455 -22.254 -0.092 1.00 63.12 C ATOM 1002 CD1 TYR A 63 -2.510 -23.661 -0.102 1.00 32.33 C ATOM 1003 CD2 TYR A 63 -3.386 -21.529 0.673 1.00 73.23 C ATOM 1004 CE1 TYR A 63 -3.480 -24.340 0.653 1.00 0.45 C ATOM 1005 CE2 TYR A 63 -4.358 -22.209 1.426 1.00 25.44 C ATOM 1006 CZ TYR A 63 -4.408 -23.613 1.414 1.00 2.01 C ATOM 1007 OH TYR A 63 -5.362 -24.268 2.134 1.00 75.41 O ATOM 0 H TYR A 63 -3.471 -19.875 -1.427 1.00 33.20 H new ATOM 0 HA TYR A 63 -1.004 -20.679 -2.843 1.00 24.30 H new ATOM 0 HB2 TYR A 63 -0.609 -22.229 -1.147 1.00 54.22 H new ATOM 0 HB3 TYR A 63 -1.008 -20.718 -0.354 1.00 54.22 H new ATOM 0 HD1 TYR A 63 -1.802 -24.221 -0.694 1.00 32.33 H new ATOM 0 HD2 TYR A 63 -3.354 -20.450 0.682 1.00 73.23 H new ATOM 0 HE1 TYR A 63 -3.512 -25.420 0.648 1.00 0.45 H new ATOM 0 HE2 TYR A 63 -5.069 -21.650 2.016 1.00 25.44 H new ATOM 0 HH TYR A 63 -5.922 -23.616 2.604 1.00 75.41 H new ATOM 1017 N LEU A 64 -2.210 -22.075 -4.431 1.00 23.43 N ATOM 1018 CA LEU A 64 -2.763 -23.047 -5.368 1.00 74.43 C ATOM 1019 C LEU A 64 -1.800 -24.208 -5.592 1.00 52.33 C ATOM 1020 O LEU A 64 -0.657 -24.176 -5.142 1.00 73.22 O ATOM 1021 CB LEU A 64 -3.119 -22.378 -6.700 1.00 5.15 C ATOM 1022 CG LEU A 64 -4.266 -21.369 -6.537 1.00 54.21 C ATOM 1023 CD1 LEU A 64 -3.697 -19.956 -6.495 1.00 14.21 C ATOM 1024 CD2 LEU A 64 -5.268 -21.483 -7.692 1.00 13.34 C ATOM 0 H LEU A 64 -1.487 -21.479 -4.833 1.00 23.43 H new ATOM 0 HA LEU A 64 -3.677 -23.448 -4.929 1.00 74.43 H new ATOM 0 HB2 LEU A 64 -2.241 -21.870 -7.099 1.00 5.15 H new ATOM 0 HB3 LEU A 64 -3.404 -23.140 -7.426 1.00 5.15 H new ATOM 0 HG LEU A 64 -4.788 -21.589 -5.606 1.00 54.21 H new ATOM 0 HD11 LEU A 64 -4.510 -19.240 -6.379 1.00 14.21 H new ATOM 0 HD12 LEU A 64 -3.011 -19.865 -5.653 1.00 14.21 H new ATOM 0 HD13 LEU A 64 -3.162 -19.751 -7.423 1.00 14.21 H new ATOM 0 HD21 LEU A 64 -6.069 -20.758 -7.551 1.00 13.34 H new ATOM 0 HD22 LEU A 64 -4.760 -21.284 -8.636 1.00 13.34 H new ATOM 0 HD23 LEU A 64 -5.688 -22.489 -7.711 1.00 13.34 H new ATOM 1036 N LEU A 65 -2.296 -25.222 -6.307 1.00 31.43 N ATOM 1037 CA LEU A 65 -1.597 -26.440 -6.665 1.00 22.43 C ATOM 1038 C LEU A 65 -1.928 -26.711 -8.135 1.00 33.23 C ATOM 1039 O LEU A 65 -3.009 -27.213 -8.427 1.00 74.14 O ATOM 1040 CB LEU A 65 -2.108 -27.553 -5.734 1.00 73.43 C ATOM 1041 CG LEU A 65 -1.396 -28.901 -5.917 1.00 1.30 C ATOM 1042 CD1 LEU A 65 -0.051 -28.915 -5.185 1.00 72.23 C ATOM 1043 CD2 LEU A 65 -2.282 -30.022 -5.362 1.00 54.04 C ATOM 0 H LEU A 65 -3.250 -25.205 -6.667 1.00 31.43 H new ATOM 0 HA LEU A 65 -0.515 -26.377 -6.552 1.00 22.43 H new ATOM 0 HB2 LEU A 65 -1.990 -27.229 -4.700 1.00 73.43 H new ATOM 0 HB3 LEU A 65 -3.176 -27.692 -5.904 1.00 73.43 H new ATOM 0 HG LEU A 65 -1.215 -29.053 -6.981 1.00 1.30 H new ATOM 0 HD11 LEU A 65 0.433 -29.881 -5.331 1.00 72.23 H new ATOM 0 HD12 LEU A 65 0.588 -28.126 -5.582 1.00 72.23 H new ATOM 0 HD13 LEU A 65 -0.214 -28.748 -4.120 1.00 72.23 H new ATOM 0 HD21 LEU A 65 -1.779 -30.981 -5.490 1.00 54.04 H new ATOM 0 HD22 LEU A 65 -2.467 -29.848 -4.302 1.00 54.04 H new ATOM 0 HD23 LEU A 65 -3.231 -30.035 -5.898 1.00 54.04 H new ATOM 1055 N TYR A 66 -1.031 -26.343 -9.058 1.00 41.34 N ATOM 1056 CA TYR A 66 -1.249 -26.491 -10.495 1.00 4.02 C ATOM 1057 C TYR A 66 -0.606 -27.791 -10.987 1.00 64.43 C ATOM 1058 O TYR A 66 0.587 -27.807 -11.295 1.00 2.22 O ATOM 1059 CB TYR A 66 -0.690 -25.268 -11.234 1.00 73.44 C ATOM 1060 CG TYR A 66 -1.604 -24.057 -11.221 1.00 65.12 C ATOM 1061 CD1 TYR A 66 -2.373 -23.755 -12.360 1.00 24.50 C ATOM 1062 CD2 TYR A 66 -1.645 -23.199 -10.107 1.00 32.41 C ATOM 1063 CE1 TYR A 66 -3.204 -22.624 -12.378 1.00 60.54 C ATOM 1064 CE2 TYR A 66 -2.426 -22.031 -10.151 1.00 0.13 C ATOM 1065 CZ TYR A 66 -3.216 -21.748 -11.280 1.00 11.41 C ATOM 1066 OH TYR A 66 -3.981 -20.621 -11.320 1.00 55.23 O ATOM 0 H TYR A 66 -0.128 -25.931 -8.823 1.00 41.34 H new ATOM 0 HA TYR A 66 -2.318 -26.548 -10.702 1.00 4.02 H new ATOM 0 HB2 TYR A 66 0.265 -24.993 -10.786 1.00 73.44 H new ATOM 0 HB3 TYR A 66 -0.488 -25.545 -12.269 1.00 73.44 H new ATOM 0 HD1 TYR A 66 -2.323 -24.398 -13.226 1.00 24.50 H new ATOM 0 HD2 TYR A 66 -1.077 -23.437 -9.220 1.00 32.41 H new ATOM 0 HE1 TYR A 66 -3.833 -22.428 -13.234 1.00 60.54 H new ATOM 0 HE2 TYR A 66 -2.419 -21.348 -9.314 1.00 0.13 H new ATOM 0 HH TYR A 66 -3.877 -20.125 -10.481 1.00 55.23 H new ATOM 1076 N TYR A 67 -1.395 -28.876 -11.037 1.00 35.24 N ATOM 1077 CA TYR A 67 -0.898 -30.229 -11.280 1.00 34.11 C ATOM 1078 C TYR A 67 -1.343 -30.805 -12.626 1.00 3.10 C ATOM 1079 O TYR A 67 -2.534 -30.991 -12.863 1.00 33.52 O ATOM 1080 CB TYR A 67 -1.299 -31.163 -10.124 1.00 14.53 C ATOM 1081 CG TYR A 67 -2.786 -31.310 -9.839 1.00 5.24 C ATOM 1082 CD1 TYR A 67 -3.512 -32.406 -10.346 1.00 34.21 C ATOM 1083 CD2 TYR A 67 -3.414 -30.417 -8.955 1.00 40.53 C ATOM 1084 CE1 TYR A 67 -4.862 -32.582 -9.993 1.00 12.33 C ATOM 1085 CE2 TYR A 67 -4.774 -30.564 -8.637 1.00 2.23 C ATOM 1086 CZ TYR A 67 -5.497 -31.655 -9.149 1.00 61.21 C ATOM 1087 OH TYR A 67 -6.812 -31.817 -8.823 1.00 4.11 O ATOM 0 H TYR A 67 -2.406 -28.832 -10.908 1.00 35.24 H new ATOM 0 HA TYR A 67 0.189 -30.159 -11.326 1.00 34.11 H new ATOM 0 HB2 TYR A 67 -0.895 -32.153 -10.333 1.00 14.53 H new ATOM 0 HB3 TYR A 67 -0.814 -30.806 -9.216 1.00 14.53 H new ATOM 0 HD1 TYR A 67 -3.031 -33.112 -11.007 1.00 34.21 H new ATOM 0 HD2 TYR A 67 -2.846 -29.610 -8.516 1.00 40.53 H new ATOM 0 HE1 TYR A 67 -5.412 -33.431 -10.371 1.00 12.33 H new ATOM 0 HE2 TYR A 67 -5.263 -29.841 -8.001 1.00 2.23 H new ATOM 0 HH TYR A 67 -7.094 -31.089 -8.231 1.00 4.11 H new ATOM 1097 N THR A 68 -0.369 -31.141 -13.482 1.00 5.33 N ATOM 1098 CA THR A 68 -0.562 -31.993 -14.651 1.00 41.15 C ATOM 1099 C THR A 68 -0.136 -33.428 -14.323 1.00 14.04 C ATOM 1100 O THR A 68 0.775 -33.628 -13.522 1.00 72.21 O ATOM 1101 CB THR A 68 0.231 -31.445 -15.848 1.00 24.13 C ATOM 1102 OG1 THR A 68 0.052 -32.293 -16.966 1.00 13.14 O ATOM 1103 CG2 THR A 68 1.736 -31.304 -15.596 1.00 40.43 C ATOM 0 H THR A 68 0.593 -30.819 -13.374 1.00 5.33 H new ATOM 0 HA THR A 68 -1.618 -31.998 -14.920 1.00 41.15 H new ATOM 0 HB THR A 68 -0.162 -30.444 -16.025 1.00 24.13 H new ATOM 0 HG1 THR A 68 0.852 -32.262 -17.532 1.00 13.14 H new ATOM 0 HG21 THR A 68 2.219 -30.911 -16.490 1.00 40.43 H new ATOM 0 HG22 THR A 68 1.903 -30.621 -14.763 1.00 40.43 H new ATOM 0 HG23 THR A 68 2.157 -32.280 -15.355 1.00 40.43 H new ATOM 1111 N GLU A 69 -0.761 -34.412 -14.983 1.00 34.32 N ATOM 1112 CA GLU A 69 -0.332 -35.804 -14.967 1.00 23.25 C ATOM 1113 C GLU A 69 0.618 -36.035 -16.145 1.00 22.32 C ATOM 1114 O GLU A 69 0.183 -36.409 -17.234 1.00 23.24 O ATOM 1115 CB GLU A 69 -1.563 -36.719 -15.023 1.00 60.13 C ATOM 1116 CG GLU A 69 -1.161 -38.192 -14.865 1.00 43.05 C ATOM 1117 CD GLU A 69 -2.373 -39.115 -14.773 1.00 41.33 C ATOM 1118 OE1 GLU A 69 -2.281 -40.097 -14.004 1.00 72.32 O ATOM 1119 OE2 GLU A 69 -3.367 -38.835 -15.480 1.00 63.34 O ATOM 0 H GLU A 69 -1.593 -34.253 -15.551 1.00 34.32 H new ATOM 0 HA GLU A 69 0.204 -36.039 -14.047 1.00 23.25 H new ATOM 0 HB2 GLU A 69 -2.262 -36.443 -14.234 1.00 60.13 H new ATOM 0 HB3 GLU A 69 -2.081 -36.580 -15.972 1.00 60.13 H new ATOM 0 HG2 GLU A 69 -0.543 -38.491 -15.712 1.00 43.05 H new ATOM 0 HG3 GLU A 69 -0.551 -38.306 -13.969 1.00 43.05 H new ATOM 1126 N PHE A 70 1.915 -35.786 -15.927 1.00 33.12 N ATOM 1127 CA PHE A 70 2.948 -35.869 -16.952 1.00 40.53 C ATOM 1128 C PHE A 70 3.681 -37.212 -16.909 1.00 44.11 C ATOM 1129 O PHE A 70 3.918 -37.755 -15.833 1.00 12.04 O ATOM 1130 CB PHE A 70 3.937 -34.713 -16.784 1.00 15.14 C ATOM 1131 CG PHE A 70 4.923 -34.839 -15.633 1.00 13.01 C ATOM 1132 CD1 PHE A 70 4.541 -34.496 -14.325 1.00 2.35 C ATOM 1133 CD2 PHE A 70 6.220 -35.329 -15.870 1.00 53.31 C ATOM 1134 CE1 PHE A 70 5.453 -34.643 -13.263 1.00 43.04 C ATOM 1135 CE2 PHE A 70 7.138 -35.442 -14.815 1.00 11.43 C ATOM 1136 CZ PHE A 70 6.746 -35.122 -13.507 1.00 31.30 C ATOM 0 H PHE A 70 2.277 -35.516 -15.012 1.00 33.12 H new ATOM 0 HA PHE A 70 2.466 -35.793 -17.927 1.00 40.53 H new ATOM 0 HB2 PHE A 70 4.502 -34.607 -17.710 1.00 15.14 H new ATOM 0 HB3 PHE A 70 3.369 -33.792 -16.650 1.00 15.14 H new ATOM 0 HD1 PHE A 70 3.547 -34.119 -14.134 1.00 2.35 H new ATOM 0 HD2 PHE A 70 6.511 -35.620 -16.869 1.00 53.31 H new ATOM 0 HE1 PHE A 70 5.155 -34.386 -12.257 1.00 43.04 H new ATOM 0 HE2 PHE A 70 8.147 -35.775 -15.010 1.00 11.43 H new ATOM 0 HZ PHE A 70 7.440 -35.245 -12.689 1.00 31.30 H new ATOM 1146 N THR A 71 4.065 -37.729 -18.082 1.00 11.22 N ATOM 1147 CA THR A 71 4.842 -38.954 -18.213 1.00 21.33 C ATOM 1148 C THR A 71 6.283 -38.598 -18.613 1.00 12.20 C ATOM 1149 O THR A 71 6.532 -38.374 -19.797 1.00 21.22 O ATOM 1150 CB THR A 71 4.166 -39.865 -19.252 1.00 63.52 C ATOM 1151 OG1 THR A 71 2.819 -40.080 -18.880 1.00 12.34 O ATOM 1152 CG2 THR A 71 4.867 -41.227 -19.342 1.00 43.32 C ATOM 0 H THR A 71 3.838 -37.296 -18.977 1.00 11.22 H new ATOM 0 HA THR A 71 4.882 -39.492 -17.266 1.00 21.33 H new ATOM 0 HB THR A 71 4.228 -39.372 -20.222 1.00 63.52 H new ATOM 0 HG1 THR A 71 2.385 -40.659 -19.541 1.00 12.34 H new ATOM 0 HG21 THR A 71 4.365 -41.846 -20.085 1.00 43.32 H new ATOM 0 HG22 THR A 71 5.907 -41.082 -19.634 1.00 43.32 H new ATOM 0 HG23 THR A 71 4.828 -41.721 -18.371 1.00 43.32 H new ATOM 1160 N PRO A 72 7.244 -38.546 -17.671 1.00 60.53 N ATOM 1161 CA PRO A 72 8.642 -38.303 -17.989 1.00 61.31 C ATOM 1162 C PRO A 72 9.210 -39.516 -18.718 1.00 53.05 C ATOM 1163 O PRO A 72 9.127 -40.631 -18.209 1.00 61.24 O ATOM 1164 CB PRO A 72 9.350 -38.088 -16.651 1.00 0.41 C ATOM 1165 CG PRO A 72 8.490 -38.873 -15.659 1.00 44.24 C ATOM 1166 CD PRO A 72 7.081 -38.796 -16.250 1.00 20.21 C ATOM 0 HA PRO A 72 8.775 -37.437 -18.638 1.00 61.31 H new ATOM 0 HB2 PRO A 72 10.374 -38.460 -16.675 1.00 0.41 H new ATOM 0 HB3 PRO A 72 9.400 -37.031 -16.389 1.00 0.41 H new ATOM 0 HG2 PRO A 72 8.828 -39.905 -15.567 1.00 44.24 H new ATOM 0 HG3 PRO A 72 8.529 -38.434 -14.662 1.00 44.24 H new ATOM 0 HD2 PRO A 72 6.537 -39.725 -16.079 1.00 20.21 H new ATOM 0 HD3 PRO A 72 6.506 -37.999 -15.779 1.00 20.21 H new ATOM 1174 N THR A 73 9.779 -39.297 -19.908 1.00 62.31 N ATOM 1175 CA THR A 73 10.398 -40.348 -20.696 1.00 24.32 C ATOM 1176 C THR A 73 11.734 -40.732 -20.056 1.00 11.32 C ATOM 1177 O THR A 73 11.860 -41.822 -19.501 1.00 62.52 O ATOM 1178 CB THR A 73 10.542 -39.898 -22.161 1.00 20.41 C ATOM 1179 OG1 THR A 73 11.281 -38.696 -22.263 1.00 13.32 O ATOM 1180 CG2 THR A 73 9.166 -39.681 -22.799 1.00 35.22 C ATOM 0 H THR A 73 9.819 -38.377 -20.347 1.00 62.31 H new ATOM 0 HA THR A 73 9.769 -41.238 -20.707 1.00 24.32 H new ATOM 0 HB THR A 73 11.074 -40.691 -22.686 1.00 20.41 H new ATOM 0 HG1 THR A 73 11.357 -38.437 -23.205 1.00 13.32 H new ATOM 0 HG21 THR A 73 9.291 -39.363 -23.834 1.00 35.22 H new ATOM 0 HG22 THR A 73 8.601 -40.613 -22.771 1.00 35.22 H new ATOM 0 HG23 THR A 73 8.626 -38.912 -22.246 1.00 35.22 H new ATOM 1188 N GLU A 74 12.713 -39.824 -20.136 1.00 25.11 N ATOM 1189 CA GLU A 74 14.079 -39.977 -19.658 1.00 42.03 C ATOM 1190 C GLU A 74 14.835 -38.686 -19.970 1.00 53.14 C ATOM 1191 O GLU A 74 15.332 -38.022 -19.062 1.00 43.04 O ATOM 1192 CB GLU A 74 14.734 -41.208 -20.313 1.00 64.21 C ATOM 1193 CG GLU A 74 16.233 -41.334 -20.022 1.00 74.15 C ATOM 1194 CD GLU A 74 16.781 -42.627 -20.619 1.00 75.13 C ATOM 1195 OE1 GLU A 74 16.889 -42.675 -21.865 1.00 62.24 O ATOM 1196 OE2 GLU A 74 17.069 -43.549 -19.826 1.00 43.53 O ATOM 0 H GLU A 74 12.557 -38.911 -20.563 1.00 25.11 H new ATOM 0 HA GLU A 74 14.100 -40.147 -18.581 1.00 42.03 H new ATOM 0 HB2 GLU A 74 14.228 -42.108 -19.963 1.00 64.21 H new ATOM 0 HB3 GLU A 74 14.585 -41.158 -21.392 1.00 64.21 H new ATOM 0 HG2 GLU A 74 16.765 -40.479 -20.439 1.00 74.15 H new ATOM 0 HG3 GLU A 74 16.404 -41.321 -18.946 1.00 74.15 H new ATOM 1203 N LYS A 75 14.894 -38.334 -21.261 1.00 53.53 N ATOM 1204 CA LYS A 75 15.502 -37.112 -21.775 1.00 55.33 C ATOM 1205 C LYS A 75 14.425 -36.044 -22.013 1.00 51.44 C ATOM 1206 O LYS A 75 14.437 -35.349 -23.028 1.00 35.34 O ATOM 1207 CB LYS A 75 16.336 -37.424 -23.033 1.00 52.12 C ATOM 1208 CG LYS A 75 15.620 -38.334 -24.046 1.00 53.13 C ATOM 1209 CD LYS A 75 16.080 -39.789 -23.875 1.00 1.04 C ATOM 1210 CE LYS A 75 15.202 -40.755 -24.673 1.00 25.42 C ATOM 1211 NZ LYS A 75 15.665 -42.145 -24.511 1.00 11.00 N ATOM 0 H LYS A 75 14.503 -38.919 -22.000 1.00 53.53 H new ATOM 0 HA LYS A 75 16.191 -36.701 -21.037 1.00 55.33 H new ATOM 0 HB2 LYS A 75 16.599 -36.487 -23.524 1.00 52.12 H new ATOM 0 HB3 LYS A 75 17.269 -37.898 -22.730 1.00 52.12 H new ATOM 0 HG2 LYS A 75 14.541 -38.268 -23.905 1.00 53.13 H new ATOM 0 HG3 LYS A 75 15.830 -37.996 -25.061 1.00 53.13 H new ATOM 0 HD2 LYS A 75 17.116 -39.884 -24.201 1.00 1.04 H new ATOM 0 HD3 LYS A 75 16.052 -40.058 -22.819 1.00 1.04 H new ATOM 0 HE2 LYS A 75 14.167 -40.671 -24.340 1.00 25.42 H new ATOM 0 HE3 LYS A 75 15.221 -40.482 -25.728 1.00 25.42 H new ATOM 0 HZ1 LYS A 75 14.858 -42.794 -24.612 1.00 11.00 H new ATOM 0 HZ2 LYS A 75 16.376 -42.361 -25.239 1.00 11.00 H new ATOM 0 HZ3 LYS A 75 16.088 -42.262 -23.568 1.00 11.00 H new ATOM 1225 N ASP A 76 13.505 -35.908 -21.050 1.00 11.53 N ATOM 1226 CA ASP A 76 12.451 -34.900 -21.020 1.00 33.21 C ATOM 1227 C ASP A 76 12.892 -33.698 -20.179 1.00 3.11 C ATOM 1228 O ASP A 76 13.895 -33.776 -19.469 1.00 3.03 O ATOM 1229 CB ASP A 76 11.191 -35.534 -20.415 1.00 4.14 C ATOM 1230 CG ASP A 76 11.446 -36.075 -19.007 1.00 34.23 C ATOM 1231 OD1 ASP A 76 11.785 -37.274 -18.913 1.00 3.51 O ATOM 1232 OD2 ASP A 76 11.314 -35.280 -18.052 1.00 5.12 O ATOM 0 H ASP A 76 13.478 -36.526 -20.239 1.00 11.53 H new ATOM 0 HA ASP A 76 12.243 -34.550 -22.031 1.00 33.21 H new ATOM 0 HB2 ASP A 76 10.392 -34.793 -20.380 1.00 4.14 H new ATOM 0 HB3 ASP A 76 10.847 -36.344 -21.059 1.00 4.14 H new ATOM 1237 N GLU A 77 12.107 -32.612 -20.213 1.00 51.05 N ATOM 1238 CA GLU A 77 12.213 -31.524 -19.251 1.00 74.33 C ATOM 1239 C GLU A 77 10.897 -30.743 -19.188 1.00 72.25 C ATOM 1240 O GLU A 77 10.443 -30.181 -20.183 1.00 64.23 O ATOM 1241 CB GLU A 77 13.457 -30.643 -19.486 1.00 23.50 C ATOM 1242 CG GLU A 77 13.615 -30.007 -20.878 1.00 71.24 C ATOM 1243 CD GLU A 77 12.765 -28.758 -21.105 1.00 65.35 C ATOM 1244 OE1 GLU A 77 12.637 -27.959 -20.151 1.00 42.22 O ATOM 1245 OE2 GLU A 77 12.270 -28.612 -22.244 1.00 32.54 O ATOM 0 H GLU A 77 11.380 -32.470 -20.914 1.00 51.05 H new ATOM 0 HA GLU A 77 12.374 -31.952 -18.262 1.00 74.33 H new ATOM 0 HB2 GLU A 77 13.448 -29.841 -18.747 1.00 23.50 H new ATOM 0 HB3 GLU A 77 14.342 -31.248 -19.289 1.00 23.50 H new ATOM 0 HG2 GLU A 77 14.663 -29.750 -21.029 1.00 71.24 H new ATOM 0 HG3 GLU A 77 13.357 -30.749 -21.634 1.00 71.24 H new ATOM 1252 N TYR A 78 10.276 -30.738 -18.003 1.00 61.14 N ATOM 1253 CA TYR A 78 9.071 -29.983 -17.694 1.00 20.10 C ATOM 1254 C TYR A 78 9.477 -28.686 -16.996 1.00 1.30 C ATOM 1255 O TYR A 78 10.512 -28.641 -16.331 1.00 3.33 O ATOM 1256 CB TYR A 78 8.154 -30.835 -16.805 1.00 71.22 C ATOM 1257 CG TYR A 78 7.659 -32.089 -17.502 1.00 44.43 C ATOM 1258 CD1 TYR A 78 6.438 -32.061 -18.198 1.00 31.55 C ATOM 1259 CD2 TYR A 78 8.500 -33.211 -17.618 1.00 1.12 C ATOM 1260 CE1 TYR A 78 6.084 -33.126 -19.044 1.00 75.41 C ATOM 1261 CE2 TYR A 78 8.151 -34.268 -18.475 1.00 51.11 C ATOM 1262 CZ TYR A 78 6.947 -34.224 -19.195 1.00 0.12 C ATOM 1263 OH TYR A 78 6.612 -35.256 -20.024 1.00 51.22 O ATOM 0 H TYR A 78 10.616 -31.281 -17.209 1.00 61.14 H new ATOM 0 HA TYR A 78 8.523 -29.735 -18.603 1.00 20.10 H new ATOM 0 HB2 TYR A 78 8.692 -31.116 -15.900 1.00 71.22 H new ATOM 0 HB3 TYR A 78 7.298 -30.236 -16.494 1.00 71.22 H new ATOM 0 HD1 TYR A 78 5.771 -31.220 -18.082 1.00 31.55 H new ATOM 0 HD2 TYR A 78 9.416 -33.260 -17.047 1.00 1.12 H new ATOM 0 HE1 TYR A 78 5.146 -33.100 -19.579 1.00 75.41 H new ATOM 0 HE2 TYR A 78 8.811 -35.117 -18.580 1.00 51.11 H new ATOM 0 HH TYR A 78 6.776 -36.108 -19.569 1.00 51.22 H new ATOM 1273 N ALA A 79 8.673 -27.627 -17.147 1.00 4.24 N ATOM 1274 CA ALA A 79 8.955 -26.351 -16.508 1.00 44.34 C ATOM 1275 C ALA A 79 7.686 -25.511 -16.410 1.00 20.52 C ATOM 1276 O ALA A 79 6.900 -25.459 -17.354 1.00 60.13 O ATOM 1277 CB ALA A 79 10.049 -25.604 -17.278 1.00 40.12 C ATOM 0 H ALA A 79 7.822 -27.636 -17.709 1.00 4.24 H new ATOM 0 HA ALA A 79 9.315 -26.537 -15.496 1.00 44.34 H new ATOM 0 HB1 ALA A 79 10.251 -24.651 -16.790 1.00 40.12 H new ATOM 0 HB2 ALA A 79 10.959 -26.204 -17.292 1.00 40.12 H new ATOM 0 HB3 ALA A 79 9.717 -25.425 -18.301 1.00 40.12 H new ATOM 1283 N CYS A 80 7.494 -24.854 -15.259 1.00 44.22 N ATOM 1284 CA CYS A 80 6.318 -24.044 -14.979 1.00 31.23 C ATOM 1285 C CYS A 80 6.581 -22.590 -15.379 1.00 31.44 C ATOM 1286 O CYS A 80 7.569 -22.008 -14.937 1.00 74.51 O ATOM 1287 CB CYS A 80 5.949 -24.165 -13.498 1.00 22.31 C ATOM 1288 SG CYS A 80 4.327 -23.468 -13.099 1.00 62.35 S ATOM 0 H CYS A 80 8.164 -24.875 -14.491 1.00 44.22 H new ATOM 0 HA CYS A 80 5.473 -24.403 -15.566 1.00 31.23 H new ATOM 0 HB2 CYS A 80 5.964 -25.217 -13.213 1.00 22.31 H new ATOM 0 HB3 CYS A 80 6.709 -23.662 -12.900 1.00 22.31 H new ATOM 1293 N ARG A 81 5.708 -22.011 -16.214 1.00 12.40 N ATOM 1294 CA ARG A 81 5.809 -20.646 -16.705 1.00 71.44 C ATOM 1295 C ARG A 81 5.003 -19.776 -15.753 1.00 4.40 C ATOM 1296 O ARG A 81 3.788 -19.947 -15.670 1.00 64.33 O ATOM 1297 CB ARG A 81 5.216 -20.571 -18.119 1.00 23.54 C ATOM 1298 CG ARG A 81 5.382 -19.188 -18.756 1.00 32.41 C ATOM 1299 CD ARG A 81 4.570 -19.091 -20.052 1.00 3.21 C ATOM 1300 NE ARG A 81 4.655 -17.747 -20.638 1.00 2.31 N ATOM 1301 CZ ARG A 81 5.639 -17.302 -21.438 1.00 71.13 C ATOM 1302 NH1 ARG A 81 6.660 -18.097 -21.791 1.00 42.45 N ATOM 1303 NH2 ARG A 81 5.601 -16.039 -21.884 1.00 54.04 N ATOM 0 H ARG A 81 4.889 -22.502 -16.573 1.00 12.40 H new ATOM 0 HA ARG A 81 6.846 -20.312 -16.750 1.00 71.44 H new ATOM 0 HB2 ARG A 81 5.697 -21.318 -18.751 1.00 23.54 H new ATOM 0 HB3 ARG A 81 4.156 -20.823 -18.078 1.00 23.54 H new ATOM 0 HG2 ARG A 81 5.055 -18.418 -18.057 1.00 32.41 H new ATOM 0 HG3 ARG A 81 6.435 -19.002 -18.966 1.00 32.41 H new ATOM 0 HD2 ARG A 81 4.937 -19.826 -20.769 1.00 3.21 H new ATOM 0 HD3 ARG A 81 3.527 -19.336 -19.849 1.00 3.21 H new ATOM 0 HE ARG A 81 3.902 -17.095 -20.419 1.00 2.31 H new ATOM 0 HH11 ARG A 81 6.699 -19.058 -21.451 1.00 42.45 H new ATOM 0 HH12 ARG A 81 7.397 -17.741 -22.399 1.00 42.45 H new ATOM 0 HH21 ARG A 81 4.831 -15.426 -21.616 1.00 54.04 H new ATOM 0 HH22 ARG A 81 6.342 -15.690 -22.492 1.00 54.04 H new ATOM 1317 N VAL A 82 5.670 -18.874 -15.026 1.00 72.54 N ATOM 1318 CA VAL A 82 5.021 -18.061 -14.012 1.00 71.43 C ATOM 1319 C VAL A 82 5.252 -16.581 -14.320 1.00 1.32 C ATOM 1320 O VAL A 82 6.162 -15.958 -13.773 1.00 41.24 O ATOM 1321 CB VAL A 82 5.483 -18.489 -12.606 1.00 12.34 C ATOM 1322 CG1 VAL A 82 4.596 -17.820 -11.554 1.00 64.42 C ATOM 1323 CG2 VAL A 82 5.384 -20.009 -12.411 1.00 64.24 C ATOM 0 H VAL A 82 6.669 -18.693 -15.128 1.00 72.54 H new ATOM 0 HA VAL A 82 3.942 -18.218 -14.028 1.00 71.43 H new ATOM 0 HB VAL A 82 6.524 -18.186 -12.498 1.00 12.34 H new ATOM 0 HG11 VAL A 82 4.921 -18.122 -10.558 1.00 64.42 H new ATOM 0 HG12 VAL A 82 4.673 -16.737 -11.648 1.00 64.42 H new ATOM 0 HG13 VAL A 82 3.560 -18.124 -11.705 1.00 64.42 H new ATOM 0 HG21 VAL A 82 5.719 -20.270 -11.407 1.00 64.24 H new ATOM 0 HG22 VAL A 82 4.349 -20.326 -12.542 1.00 64.24 H new ATOM 0 HG23 VAL A 82 6.013 -20.512 -13.145 1.00 64.24 H new ATOM 1333 N ASN A 83 4.388 -16.020 -15.177 1.00 3.51 N ATOM 1334 CA ASN A 83 4.221 -14.579 -15.320 1.00 32.55 C ATOM 1335 C ASN A 83 3.279 -14.088 -14.220 1.00 32.10 C ATOM 1336 O ASN A 83 2.438 -14.843 -13.732 1.00 23.22 O ATOM 1337 CB ASN A 83 3.642 -14.228 -16.696 1.00 33.41 C ATOM 1338 CG ASN A 83 4.581 -14.586 -17.841 1.00 3.43 C ATOM 1339 OD1 ASN A 83 4.462 -15.659 -18.428 1.00 53.03 O ATOM 1340 ND2 ASN A 83 5.505 -13.681 -18.174 1.00 35.53 N ATOM 0 H ASN A 83 3.783 -16.564 -15.793 1.00 3.51 H new ATOM 0 HA ASN A 83 5.193 -14.094 -15.232 1.00 32.55 H new ATOM 0 HB2 ASN A 83 2.696 -14.752 -16.831 1.00 33.41 H new ATOM 0 HB3 ASN A 83 3.424 -13.161 -16.732 1.00 33.41 H new ATOM 0 HD21 ASN A 83 6.148 -13.868 -18.944 1.00 35.53 H new ATOM 0 HD22 ASN A 83 5.568 -12.803 -17.659 1.00 35.53 H new ATOM 1347 N HIS A 84 3.431 -12.817 -13.833 1.00 0.00 N ATOM 1348 CA HIS A 84 2.640 -12.173 -12.795 1.00 0.00 C ATOM 1349 C HIS A 84 2.748 -10.657 -12.966 1.00 0.00 C ATOM 1350 O HIS A 84 3.699 -10.172 -13.579 1.00 0.00 O ATOM 1351 CB HIS A 84 3.139 -12.624 -11.415 1.00 0.00 C ATOM 1352 CG HIS A 84 2.325 -12.084 -10.272 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.829 -11.110 -9.410 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.047 -12.392 -9.891 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.840 -10.876 -8.543 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.750 -11.616 -8.793 1.00 0.00 N ATOM 0 H HIS A 84 4.127 -12.197 -14.248 1.00 0.00 H new ATOM 0 HA HIS A 84 1.591 -12.458 -12.877 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.130 -13.713 -11.373 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.175 -12.309 -11.292 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.393 -13.110 -10.364 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.911 -10.169 -7.730 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.127 -11.606 -8.272 1.00 0.00 H new ATOM 1364 N VAL A 85 1.767 -9.910 -12.443 1.00 34.51 N ATOM 1365 CA VAL A 85 1.673 -8.466 -12.633 1.00 24.23 C ATOM 1366 C VAL A 85 2.891 -7.722 -12.074 1.00 54.03 C ATOM 1367 O VAL A 85 3.362 -6.776 -12.703 1.00 34.34 O ATOM 1368 CB VAL A 85 0.335 -7.937 -12.085 1.00 32.52 C ATOM 1369 CG1 VAL A 85 0.229 -8.013 -10.557 1.00 5.32 C ATOM 1370 CG2 VAL A 85 0.083 -6.492 -12.534 1.00 1.31 C ATOM 0 H VAL A 85 1.015 -10.298 -11.874 1.00 34.51 H new ATOM 0 HA VAL A 85 1.686 -8.264 -13.704 1.00 24.23 H new ATOM 0 HB VAL A 85 -0.427 -8.595 -12.502 1.00 32.52 H new ATOM 0 HG11 VAL A 85 -0.739 -7.624 -10.240 1.00 5.32 H new ATOM 0 HG12 VAL A 85 0.326 -9.050 -10.237 1.00 5.32 H new ATOM 0 HG13 VAL A 85 1.024 -7.419 -10.107 1.00 5.32 H new ATOM 0 HG21 VAL A 85 -0.869 -6.147 -12.131 1.00 1.31 H new ATOM 0 HG22 VAL A 85 0.886 -5.852 -12.168 1.00 1.31 H new ATOM 0 HG23 VAL A 85 0.053 -6.449 -13.623 1.00 1.31 H new ATOM 1380 N THR A 86 3.420 -8.150 -10.918 1.00 2.05 N ATOM 1381 CA THR A 86 4.606 -7.540 -10.323 1.00 75.32 C ATOM 1382 C THR A 86 5.860 -7.874 -11.138 1.00 14.23 C ATOM 1383 O THR A 86 6.758 -7.041 -11.241 1.00 33.20 O ATOM 1384 CB THR A 86 4.767 -7.950 -8.852 1.00 3.20 C ATOM 1385 OG1 THR A 86 4.988 -9.338 -8.733 1.00 74.11 O ATOM 1386 CG2 THR A 86 3.551 -7.537 -8.017 1.00 32.53 C ATOM 0 H THR A 86 3.036 -8.924 -10.376 1.00 2.05 H new ATOM 0 HA THR A 86 4.473 -6.458 -10.345 1.00 75.32 H new ATOM 0 HB THR A 86 5.640 -7.424 -8.466 1.00 3.20 H new ATOM 0 HG1 THR A 86 4.193 -9.823 -9.037 1.00 74.11 H new ATOM 0 HG21 THR A 86 3.700 -7.843 -6.982 1.00 32.53 H new ATOM 0 HG22 THR A 86 3.430 -6.455 -8.062 1.00 32.53 H new ATOM 0 HG23 THR A 86 2.657 -8.019 -8.413 1.00 32.53 H new ATOM 1394 N LEU A 87 5.914 -9.075 -11.734 1.00 62.23 N ATOM 1395 CA LEU A 87 6.979 -9.479 -12.644 1.00 43.15 C ATOM 1396 C LEU A 87 6.746 -8.865 -14.030 1.00 60.52 C ATOM 1397 O LEU A 87 5.888 -8.002 -14.209 1.00 51.34 O ATOM 1398 CB LEU A 87 7.036 -11.014 -12.743 1.00 15.25 C ATOM 1399 CG LEU A 87 7.077 -11.747 -11.393 1.00 11.50 C ATOM 1400 CD1 LEU A 87 6.975 -13.252 -11.665 1.00 74.31 C ATOM 1401 CD2 LEU A 87 8.374 -11.439 -10.635 1.00 65.23 C ATOM 0 H LEU A 87 5.207 -9.796 -11.591 1.00 62.23 H new ATOM 0 HA LEU A 87 7.932 -9.119 -12.256 1.00 43.15 H new ATOM 0 HB2 LEU A 87 6.167 -11.360 -13.302 1.00 15.25 H new ATOM 0 HB3 LEU A 87 7.918 -11.294 -13.319 1.00 15.25 H new ATOM 0 HG LEU A 87 6.246 -11.411 -10.773 1.00 11.50 H new ATOM 0 HD11 LEU A 87 7.002 -13.795 -10.720 1.00 74.31 H new ATOM 0 HD12 LEU A 87 6.038 -13.466 -12.180 1.00 74.31 H new ATOM 0 HD13 LEU A 87 7.812 -13.567 -12.288 1.00 74.31 H new ATOM 0 HD21 LEU A 87 8.375 -11.971 -9.684 1.00 65.23 H new ATOM 0 HD22 LEU A 87 9.229 -11.760 -11.231 1.00 65.23 H new ATOM 0 HD23 LEU A 87 8.442 -10.367 -10.451 1.00 65.23 H new ATOM 1413 N SER A 88 7.516 -9.339 -15.014 1.00 74.42 N ATOM 1414 CA SER A 88 7.393 -8.980 -16.416 1.00 0.44 C ATOM 1415 C SER A 88 7.712 -10.213 -17.261 1.00 12.34 C ATOM 1416 O SER A 88 6.882 -10.663 -18.049 1.00 60.31 O ATOM 1417 CB SER A 88 8.327 -7.805 -16.738 1.00 24.13 C ATOM 1418 OG SER A 88 9.657 -8.071 -16.336 1.00 13.43 O ATOM 0 H SER A 88 8.267 -10.007 -14.842 1.00 74.42 H new ATOM 0 HA SER A 88 6.378 -8.655 -16.644 1.00 0.44 H new ATOM 0 HB2 SER A 88 8.303 -7.604 -17.809 1.00 24.13 H new ATOM 0 HB3 SER A 88 7.968 -6.906 -16.237 1.00 24.13 H new ATOM 0 HG SER A 88 10.225 -7.304 -16.557 1.00 13.43 H new ATOM 1424 N GLN A 89 8.917 -10.764 -17.072 1.00 44.02 N ATOM 1425 CA GLN A 89 9.407 -11.922 -17.802 1.00 21.35 C ATOM 1426 C GLN A 89 8.804 -13.201 -17.215 1.00 14.34 C ATOM 1427 O GLN A 89 8.510 -13.243 -16.019 1.00 53.32 O ATOM 1428 CB GLN A 89 10.945 -11.944 -17.774 1.00 31.11 C ATOM 1429 CG GLN A 89 11.536 -12.172 -16.376 1.00 3.03 C ATOM 1430 CD GLN A 89 13.062 -12.147 -16.416 1.00 34.24 C ATOM 1431 OE1 GLN A 89 13.683 -11.196 -15.946 1.00 51.04 O ATOM 1432 NE2 GLN A 89 13.671 -13.196 -16.976 1.00 4.34 N ATOM 0 H GLN A 89 9.586 -10.404 -16.392 1.00 44.02 H new ATOM 0 HA GLN A 89 9.097 -11.861 -18.845 1.00 21.35 H new ATOM 0 HB2 GLN A 89 11.300 -12.730 -18.441 1.00 31.11 H new ATOM 0 HB3 GLN A 89 11.320 -10.999 -18.167 1.00 31.11 H new ATOM 0 HG2 GLN A 89 11.174 -11.402 -15.694 1.00 3.03 H new ATOM 0 HG3 GLN A 89 11.195 -13.130 -15.985 1.00 3.03 H new ATOM 0 HE21 GLN A 89 13.118 -13.965 -17.354 1.00 4.34 H new ATOM 0 HE22 GLN A 89 14.689 -13.228 -17.025 1.00 4.34 H new ATOM 1441 N PRO A 90 8.624 -14.256 -18.027 1.00 1.11 N ATOM 1442 CA PRO A 90 8.169 -15.546 -17.548 1.00 33.33 C ATOM 1443 C PRO A 90 9.277 -16.199 -16.728 1.00 35.13 C ATOM 1444 O PRO A 90 10.368 -16.440 -17.244 1.00 0.42 O ATOM 1445 CB PRO A 90 7.864 -16.362 -18.805 1.00 35.21 C ATOM 1446 CG PRO A 90 8.792 -15.766 -19.861 1.00 1.13 C ATOM 1447 CD PRO A 90 8.862 -14.293 -19.463 1.00 51.55 C ATOM 0 HA PRO A 90 7.291 -15.471 -16.906 1.00 33.33 H new ATOM 0 HB2 PRO A 90 8.062 -17.423 -18.651 1.00 35.21 H new ATOM 0 HB3 PRO A 90 6.817 -16.272 -19.096 1.00 35.21 H new ATOM 0 HG2 PRO A 90 9.776 -16.236 -19.846 1.00 1.13 H new ATOM 0 HG3 PRO A 90 8.393 -15.894 -20.867 1.00 1.13 H new ATOM 0 HD2 PRO A 90 9.835 -13.868 -19.709 1.00 51.55 H new ATOM 0 HD3 PRO A 90 8.114 -13.708 -19.998 1.00 51.55 H new ATOM 1455 N LYS A 91 8.992 -16.507 -15.459 1.00 45.35 N ATOM 1456 CA LYS A 91 9.872 -17.342 -14.662 1.00 51.41 C ATOM 1457 C LYS A 91 9.662 -18.782 -15.120 1.00 43.04 C ATOM 1458 O LYS A 91 8.690 -19.417 -14.718 1.00 42.11 O ATOM 1459 CB LYS A 91 9.575 -17.179 -13.167 1.00 62.54 C ATOM 1460 CG LYS A 91 9.960 -15.781 -12.671 1.00 55.24 C ATOM 1461 CD LYS A 91 9.594 -15.573 -11.194 1.00 3.03 C ATOM 1462 CE LYS A 91 10.342 -16.494 -10.222 1.00 55.31 C ATOM 1463 NZ LYS A 91 11.804 -16.366 -10.349 1.00 44.01 N ATOM 0 H LYS A 91 8.157 -16.187 -14.969 1.00 45.35 H new ATOM 0 HA LYS A 91 10.913 -17.051 -14.802 1.00 51.41 H new ATOM 0 HB2 LYS A 91 8.515 -17.353 -12.984 1.00 62.54 H new ATOM 0 HB3 LYS A 91 10.124 -17.932 -12.601 1.00 62.54 H new ATOM 0 HG2 LYS A 91 11.032 -15.632 -12.803 1.00 55.24 H new ATOM 0 HG3 LYS A 91 9.456 -15.029 -13.279 1.00 55.24 H new ATOM 0 HD2 LYS A 91 9.798 -14.537 -10.924 1.00 3.03 H new ATOM 0 HD3 LYS A 91 8.522 -15.729 -11.072 1.00 3.03 H new ATOM 0 HE2 LYS A 91 10.046 -16.258 -9.200 1.00 55.31 H new ATOM 0 HE3 LYS A 91 10.052 -17.528 -10.408 1.00 55.31 H new ATOM 0 HZ1 LYS A 91 12.267 -16.915 -9.597 1.00 44.01 H new ATOM 0 HZ2 LYS A 91 12.105 -16.728 -11.277 1.00 44.01 H new ATOM 0 HZ3 LYS A 91 12.074 -15.365 -10.264 1.00 44.01 H new ATOM 1477 N ILE A 92 10.569 -19.279 -15.971 1.00 63.54 N ATOM 1478 CA ILE A 92 10.583 -20.662 -16.421 1.00 1.24 C ATOM 1479 C ILE A 92 11.236 -21.484 -15.311 1.00 22.10 C ATOM 1480 O ILE A 92 12.444 -21.716 -15.331 1.00 14.13 O ATOM 1481 CB ILE A 92 11.324 -20.782 -17.769 1.00 40.33 C ATOM 1482 CG1 ILE A 92 10.762 -19.841 -18.852 1.00 23.43 C ATOM 1483 CG2 ILE A 92 11.309 -22.234 -18.271 1.00 2.33 C ATOM 1484 CD1 ILE A 92 9.273 -20.037 -19.151 1.00 74.41 C ATOM 0 H ILE A 92 11.322 -18.717 -16.368 1.00 63.54 H new ATOM 0 HA ILE A 92 9.576 -21.038 -16.603 1.00 1.24 H new ATOM 0 HB ILE A 92 12.352 -20.473 -17.581 1.00 40.33 H new ATOM 0 HG12 ILE A 92 10.924 -18.809 -18.539 1.00 23.43 H new ATOM 0 HG13 ILE A 92 11.327 -19.988 -19.772 1.00 23.43 H new ATOM 0 HG21 ILE A 92 11.837 -22.295 -19.223 1.00 2.33 H new ATOM 0 HG22 ILE A 92 11.801 -22.877 -17.541 1.00 2.33 H new ATOM 0 HG23 ILE A 92 10.278 -22.562 -18.406 1.00 2.33 H new ATOM 0 HD11 ILE A 92 8.962 -19.335 -19.924 1.00 74.41 H new ATOM 0 HD12 ILE A 92 9.102 -21.056 -19.497 1.00 74.41 H new ATOM 0 HD13 ILE A 92 8.694 -19.860 -18.245 1.00 74.41 H new ATOM 1496 N VAL A 93 10.434 -21.893 -14.322 1.00 43.34 N ATOM 1497 CA VAL A 93 10.919 -22.649 -13.183 1.00 24.33 C ATOM 1498 C VAL A 93 11.191 -24.072 -13.641 1.00 31.22 C ATOM 1499 O VAL A 93 10.281 -24.762 -14.093 1.00 64.23 O ATOM 1500 CB VAL A 93 9.915 -22.649 -12.025 1.00 2.13 C ATOM 1501 CG1 VAL A 93 10.560 -23.343 -10.816 1.00 41.43 C ATOM 1502 CG2 VAL A 93 9.487 -21.236 -11.640 1.00 23.12 C ATOM 0 H VAL A 93 9.432 -21.705 -14.297 1.00 43.34 H new ATOM 0 HA VAL A 93 11.831 -22.182 -12.811 1.00 24.33 H new ATOM 0 HB VAL A 93 9.020 -23.183 -12.345 1.00 2.13 H new ATOM 0 HG11 VAL A 93 9.857 -23.351 -9.983 1.00 41.43 H new ATOM 0 HG12 VAL A 93 10.820 -24.368 -11.081 1.00 41.43 H new ATOM 0 HG13 VAL A 93 11.461 -22.804 -10.525 1.00 41.43 H new ATOM 0 HG21 VAL A 93 8.775 -21.283 -10.816 1.00 23.12 H new ATOM 0 HG22 VAL A 93 10.361 -20.662 -11.332 1.00 23.12 H new ATOM 0 HG23 VAL A 93 9.018 -20.752 -12.497 1.00 23.12 H new ATOM 1512 N LYS A 94 12.449 -24.493 -13.517 1.00 73.33 N ATOM 1513 CA LYS A 94 12.903 -25.796 -13.953 1.00 21.23 C ATOM 1514 C LYS A 94 12.518 -26.813 -12.884 1.00 62.13 C ATOM 1515 O LYS A 94 13.145 -26.848 -11.826 1.00 1.50 O ATOM 1516 CB LYS A 94 14.421 -25.761 -14.178 1.00 64.14 C ATOM 1517 CG LYS A 94 14.804 -24.703 -15.223 1.00 64.32 C ATOM 1518 CD LYS A 94 16.287 -24.774 -15.607 1.00 32.45 C ATOM 1519 CE LYS A 94 17.208 -24.499 -14.412 1.00 12.34 C ATOM 1520 NZ LYS A 94 18.620 -24.432 -14.826 1.00 63.11 N ATOM 0 H LYS A 94 13.187 -23.923 -13.103 1.00 73.33 H new ATOM 0 HA LYS A 94 12.437 -26.079 -14.897 1.00 21.23 H new ATOM 0 HB2 LYS A 94 14.926 -25.545 -13.236 1.00 64.14 H new ATOM 0 HB3 LYS A 94 14.765 -26.742 -14.507 1.00 64.14 H new ATOM 0 HG2 LYS A 94 14.193 -24.839 -16.115 1.00 64.32 H new ATOM 0 HG3 LYS A 94 14.580 -23.711 -14.831 1.00 64.32 H new ATOM 0 HD2 LYS A 94 16.508 -25.760 -16.015 1.00 32.45 H new ATOM 0 HD3 LYS A 94 16.492 -24.050 -16.396 1.00 32.45 H new ATOM 0 HE2 LYS A 94 16.921 -23.560 -13.938 1.00 12.34 H new ATOM 0 HE3 LYS A 94 17.083 -25.284 -13.666 1.00 12.34 H new ATOM 0 HZ1 LYS A 94 19.217 -24.245 -13.995 1.00 63.11 H new ATOM 0 HZ2 LYS A 94 18.899 -25.337 -15.256 1.00 63.11 H new ATOM 0 HZ3 LYS A 94 18.742 -23.667 -15.520 1.00 63.11 H new ATOM 1534 N TRP A 95 11.483 -27.618 -13.163 1.00 23.22 N ATOM 1535 CA TRP A 95 11.065 -28.730 -12.319 1.00 21.21 C ATOM 1536 C TRP A 95 12.272 -29.580 -11.919 1.00 33.30 C ATOM 1537 O TRP A 95 12.826 -30.305 -12.745 1.00 60.52 O ATOM 1538 CB TRP A 95 10.044 -29.609 -13.054 1.00 13.44 C ATOM 1539 CG TRP A 95 9.798 -30.944 -12.417 1.00 3.54 C ATOM 1540 CD1 TRP A 95 9.409 -31.161 -11.141 1.00 65.44 C ATOM 1541 CD2 TRP A 95 10.051 -32.262 -12.980 1.00 52.14 C ATOM 1542 NE1 TRP A 95 9.410 -32.512 -10.871 1.00 4.21 N ATOM 1543 CE2 TRP A 95 9.800 -33.242 -11.977 1.00 31.14 C ATOM 1544 CE3 TRP A 95 10.497 -32.724 -14.235 1.00 0.04 C ATOM 1545 CZ2 TRP A 95 9.977 -34.614 -12.213 1.00 25.24 C ATOM 1546 CZ3 TRP A 95 10.664 -34.098 -14.487 1.00 20.43 C ATOM 1547 CH2 TRP A 95 10.400 -35.044 -13.481 1.00 43.44 C ATOM 0 H TRP A 95 10.907 -27.507 -13.998 1.00 23.22 H new ATOM 0 HA TRP A 95 10.602 -28.318 -11.422 1.00 21.21 H new ATOM 0 HB2 TRP A 95 9.098 -29.071 -13.116 1.00 13.44 H new ATOM 0 HB3 TRP A 95 10.389 -29.767 -14.076 1.00 13.44 H new ATOM 0 HD1 TRP A 95 9.137 -30.389 -10.437 1.00 65.44 H new ATOM 0 HE1 TRP A 95 9.156 -32.920 -9.971 1.00 4.21 H new ATOM 0 HE3 TRP A 95 10.714 -32.011 -15.016 1.00 0.04 H new ATOM 0 HZ2 TRP A 95 9.790 -35.331 -11.428 1.00 25.24 H new ATOM 0 HZ3 TRP A 95 10.997 -34.428 -15.460 1.00 20.43 H new ATOM 0 HH2 TRP A 95 10.522 -36.098 -13.683 1.00 43.44 H new ATOM 1558 N ASP A 96 12.650 -29.499 -10.640 1.00 75.22 N ATOM 1559 CA ASP A 96 13.676 -30.341 -10.061 1.00 14.22 C ATOM 1560 C ASP A 96 13.011 -31.634 -9.601 1.00 20.51 C ATOM 1561 O ASP A 96 12.386 -31.678 -8.543 1.00 1.24 O ATOM 1562 CB ASP A 96 14.379 -29.607 -8.912 1.00 43.54 C ATOM 1563 CG ASP A 96 15.142 -28.383 -9.415 1.00 65.14 C ATOM 1564 OD1 ASP A 96 16.118 -28.589 -10.169 1.00 14.13 O ATOM 1565 OD2 ASP A 96 14.739 -27.260 -9.038 1.00 43.41 O ATOM 0 H ASP A 96 12.242 -28.838 -9.979 1.00 75.22 H new ATOM 0 HA ASP A 96 14.448 -30.580 -10.793 1.00 14.22 H new ATOM 0 HB2 ASP A 96 13.642 -29.299 -8.171 1.00 43.54 H new ATOM 0 HB3 ASP A 96 15.069 -30.287 -8.412 1.00 43.54 H new ATOM 1570 N ARG A 97 13.170 -32.691 -10.406 1.00 40.32 N ATOM 1571 CA ARG A 97 12.795 -34.055 -10.061 1.00 74.33 C ATOM 1572 C ARG A 97 13.408 -34.515 -8.731 1.00 54.02 C ATOM 1573 O ARG A 97 12.844 -35.378 -8.061 1.00 20.32 O ATOM 1574 CB ARG A 97 13.157 -34.999 -11.220 1.00 73.22 C ATOM 1575 CG ARG A 97 14.634 -35.404 -11.340 1.00 3.20 C ATOM 1576 CD ARG A 97 15.566 -34.238 -11.681 1.00 32.30 C ATOM 1577 NE ARG A 97 16.944 -34.711 -11.854 1.00 23.44 N ATOM 1578 CZ ARG A 97 18.044 -33.947 -11.745 1.00 64.44 C ATOM 1579 NH1 ARG A 97 17.955 -32.627 -11.524 1.00 24.33 N ATOM 1580 NH2 ARG A 97 19.251 -34.519 -11.859 1.00 74.44 N ATOM 0 H ARG A 97 13.574 -32.612 -11.339 1.00 40.32 H new ATOM 0 HA ARG A 97 11.716 -34.083 -9.911 1.00 74.33 H new ATOM 0 HB2 ARG A 97 12.562 -35.907 -11.119 1.00 73.22 H new ATOM 0 HB3 ARG A 97 12.857 -34.523 -12.154 1.00 73.22 H new ATOM 0 HG2 ARG A 97 14.956 -35.852 -10.400 1.00 3.20 H new ATOM 0 HG3 ARG A 97 14.730 -36.171 -12.108 1.00 3.20 H new ATOM 0 HD2 ARG A 97 15.226 -33.749 -12.594 1.00 32.30 H new ATOM 0 HD3 ARG A 97 15.529 -33.492 -10.887 1.00 32.30 H new ATOM 0 HE ARG A 97 17.078 -35.698 -12.074 1.00 23.44 H new ATOM 0 HH11 ARG A 97 17.040 -32.185 -11.435 1.00 24.33 H new ATOM 0 HH12 ARG A 97 18.802 -32.065 -11.444 1.00 24.33 H new ATOM 0 HH21 ARG A 97 19.326 -35.522 -12.026 1.00 74.44 H new ATOM 0 HH22 ARG A 97 20.094 -33.951 -11.778 1.00 74.44 H new ATOM 1594 N ASP A 98 14.555 -33.933 -8.357 1.00 63.55 N ATOM 1595 CA ASP A 98 15.266 -34.193 -7.118 1.00 53.53 C ATOM 1596 C ASP A 98 14.450 -33.719 -5.911 1.00 42.42 C ATOM 1597 O ASP A 98 14.339 -34.449 -4.927 1.00 63.12 O ATOM 1598 CB ASP A 98 16.628 -33.486 -7.189 1.00 34.34 C ATOM 1599 CG ASP A 98 17.494 -33.718 -5.952 1.00 40.25 C ATOM 1600 OD1 ASP A 98 18.169 -32.747 -5.544 1.00 62.32 O ATOM 1601 OD2 ASP A 98 17.485 -34.860 -5.445 1.00 1.35 O ATOM 0 H ASP A 98 15.025 -33.241 -8.940 1.00 63.55 H new ATOM 0 HA ASP A 98 15.419 -35.265 -6.992 1.00 53.53 H new ATOM 0 HB2 ASP A 98 17.165 -33.835 -8.071 1.00 34.34 H new ATOM 0 HB3 ASP A 98 16.468 -32.415 -7.316 1.00 34.34 H new ATOM 1606 N MET A 99 13.900 -32.498 -5.984 1.00 35.32 N ATOM 1607 CA MET A 99 13.151 -31.866 -4.905 1.00 61.42 C ATOM 1608 C MET A 99 11.873 -31.250 -5.480 1.00 11.12 C ATOM 1609 O MET A 99 10.875 -31.999 -5.565 1.00 25.50 O ATOM 1610 CB MET A 99 14.032 -30.823 -4.196 1.00 20.30 C ATOM 1611 CG MET A 99 15.246 -31.460 -3.509 1.00 20.14 C ATOM 1612 SD MET A 99 16.312 -30.282 -2.636 1.00 21.44 S ATOM 1613 CE MET A 99 17.570 -31.426 -2.011 1.00 53.34 C ATOM 1614 OXT MET A 99 11.907 -30.050 -5.831 1.00 0.00 O ATOM 0 H MET A 99 13.969 -31.915 -6.818 1.00 35.32 H new ATOM 0 HA MET A 99 12.864 -32.605 -4.157 1.00 61.42 H new ATOM 0 HB2 MET A 99 14.373 -30.085 -4.922 1.00 20.30 H new ATOM 0 HB3 MET A 99 13.436 -30.290 -3.455 1.00 20.30 H new ATOM 0 HG2 MET A 99 14.895 -32.210 -2.800 1.00 20.14 H new ATOM 0 HG3 MET A 99 15.840 -31.983 -4.258 1.00 20.14 H new ATOM 0 HE1 MET A 99 18.316 -30.871 -1.443 1.00 53.34 H new ATOM 0 HE2 MET A 99 17.099 -32.167 -1.365 1.00 53.34 H new ATOM 0 HE3 MET A 99 18.052 -31.929 -2.849 1.00 53.34 H new TER 1624 MET A 99