USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 818 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 96 SER OG : rot -1:sc= 1.94 USER MOD Set 1.2: A 102 SER OG : rot 168:sc= -2.66! USER MOD Set 2.1: A 37 MET CE :methyl -112:sc= 0 (180deg=-0.469) USER MOD Set 2.2: A 64 HIS :FLIP no HD1:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.2! C(o=-1.2!,f=-7.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 22 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5.5!) USER MOD Single : A 28 TYR OH : rot -167:sc= 0.185 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 155:sc= -0.0546 (180deg=-0.465) USER MOD Single : A 32 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0258 (180deg=-0.179) USER MOD Single : A 41 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.32) USER MOD Single : A 42 THR OG1 : rot 122:sc= -0.215 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00234 (180deg=-0.188) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HE2:sc= 0.132 F(o=-0.55,f=0.13) USER MOD Single : A 58 CYS SG : rot -78:sc= 0.447 USER MOD Single : A 66 SER OG : rot -99:sc= 1.26 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.541 K(o=-0.54,f=-2) USER MOD Single : A 69 SER OG : rot -51:sc= 0.655 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -103:sc= -3.2! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -50:sc= -3.07! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.228 X(o=0.23,f=-0.0021) USER MOD Single : A 89 SER OG : rot 85:sc= 0.433 USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.04) USER MOD Single : A 95 HIS : no HE2:sc= 0.627 K(o=0.63,f=-2.6!) USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= -2.83! (180deg=-4.63!) USER MOD Single : A 101 SER OG : rot 36:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.414 8.019 -15.004 1.00 7.43 N ATOM 2 CA MET A 1 15.223 9.235 -14.766 1.00 7.42 C ATOM 3 C MET A 1 14.832 9.900 -13.447 1.00 7.11 C ATOM 4 O MET A 1 15.514 9.733 -12.434 1.00 7.15 O ATOM 5 CB MET A 1 15.053 10.213 -15.931 1.00 7.88 C ATOM 6 CG MET A 1 15.818 11.514 -15.761 1.00 8.36 C ATOM 7 SD MET A 1 17.594 11.265 -15.604 1.00 9.39 S ATOM 8 CE MET A 1 18.136 12.948 -15.340 1.00 9.95 C ATOM 0 H1 MET A 1 14.697 7.585 -15.905 1.00 7.43 H new ATOM 0 H2 MET A 1 14.569 7.342 -14.230 1.00 7.43 H new ATOM 0 H3 MET A 1 13.407 8.275 -15.044 1.00 7.43 H new ATOM 0 HA MET A 1 16.272 8.945 -14.699 1.00 7.42 H new ATOM 0 HB2 MET A 1 15.381 9.728 -16.850 1.00 7.88 H new ATOM 0 HB3 MET A 1 13.993 10.439 -16.051 1.00 7.88 H new ATOM 0 HG2 MET A 1 15.621 12.160 -16.616 1.00 8.36 H new ATOM 0 HG3 MET A 1 15.449 12.034 -14.877 1.00 8.36 H new ATOM 0 HE1 MET A 1 19.220 12.967 -15.223 1.00 9.95 H new ATOM 0 HE2 MET A 1 17.852 13.560 -16.196 1.00 9.95 H new ATOM 0 HE3 MET A 1 17.667 13.344 -14.439 1.00 9.95 H new ATOM 20 N ALA A 2 13.717 10.631 -13.450 1.00 7.11 N ATOM 21 CA ALA A 2 13.287 11.373 -12.271 1.00 7.16 C ATOM 22 C ALA A 2 12.521 10.485 -11.301 1.00 6.34 C ATOM 23 O ALA A 2 12.628 10.644 -10.087 1.00 6.43 O ATOM 24 CB ALA A 2 12.437 12.569 -12.673 1.00 7.97 C ATOM 0 H ALA A 2 13.098 10.723 -14.256 1.00 7.11 H new ATOM 0 HA ALA A 2 14.182 11.731 -11.763 1.00 7.16 H new ATOM 0 HB1 ALA A 2 12.125 13.111 -11.780 1.00 7.97 H new ATOM 0 HB2 ALA A 2 13.020 13.231 -13.314 1.00 7.97 H new ATOM 0 HB3 ALA A 2 11.556 12.224 -13.214 1.00 7.97 H new ATOM 30 N THR A 3 11.750 9.552 -11.834 1.00 5.73 N ATOM 31 CA THR A 3 10.971 8.652 -11.002 1.00 5.02 C ATOM 32 C THR A 3 11.210 7.209 -11.418 1.00 3.93 C ATOM 33 O THR A 3 10.573 6.704 -12.343 1.00 3.57 O ATOM 34 CB THR A 3 9.466 8.971 -11.084 1.00 5.39 C ATOM 35 OG1 THR A 3 9.253 10.380 -10.919 1.00 6.16 O ATOM 36 CG2 THR A 3 8.692 8.212 -10.015 1.00 5.37 C ATOM 0 H THR A 3 11.647 9.399 -12.837 1.00 5.73 H new ATOM 0 HA THR A 3 11.296 8.792 -9.971 1.00 5.02 H new ATOM 0 HB THR A 3 9.106 8.659 -12.064 1.00 5.39 H new ATOM 0 HG1 THR A 3 8.294 10.575 -10.974 1.00 6.16 H new ATOM 0 HG21 THR A 3 7.632 8.453 -10.093 1.00 5.37 H new ATOM 0 HG22 THR A 3 8.831 7.140 -10.157 1.00 5.37 H new ATOM 0 HG23 THR A 3 9.058 8.498 -9.029 1.00 5.37 H new ATOM 44 N GLU A 4 12.154 6.569 -10.749 1.00 3.59 N ATOM 45 CA GLU A 4 12.494 5.187 -11.039 1.00 2.75 C ATOM 46 C GLU A 4 11.516 4.248 -10.348 1.00 1.95 C ATOM 47 O GLU A 4 11.319 4.338 -9.138 1.00 2.29 O ATOM 48 CB GLU A 4 13.919 4.884 -10.576 1.00 3.20 C ATOM 49 CG GLU A 4 14.972 5.740 -11.251 1.00 4.01 C ATOM 50 CD GLU A 4 16.364 5.451 -10.736 1.00 4.54 C ATOM 51 OE1 GLU A 4 16.920 4.392 -11.083 1.00 4.73 O ATOM 52 OE2 GLU A 4 16.899 6.280 -9.970 1.00 5.13 O ATOM 0 H GLU A 4 12.701 6.988 -9.997 1.00 3.59 H new ATOM 0 HA GLU A 4 12.432 5.034 -12.116 1.00 2.75 H new ATOM 0 HB2 GLU A 4 13.980 5.030 -9.498 1.00 3.20 H new ATOM 0 HB3 GLU A 4 14.139 3.834 -10.768 1.00 3.20 H new ATOM 0 HG2 GLU A 4 14.942 5.568 -12.327 1.00 4.01 H new ATOM 0 HG3 GLU A 4 14.739 6.793 -11.090 1.00 4.01 H new ATOM 59 N PRO A 5 10.876 3.357 -11.116 1.00 1.30 N ATOM 60 CA PRO A 5 9.975 2.344 -10.565 1.00 1.21 C ATOM 61 C PRO A 5 10.722 1.338 -9.696 1.00 0.86 C ATOM 62 O PRO A 5 11.545 0.565 -10.190 1.00 0.92 O ATOM 63 CB PRO A 5 9.397 1.655 -11.804 1.00 1.76 C ATOM 64 CG PRO A 5 10.380 1.925 -12.887 1.00 1.77 C ATOM 65 CD PRO A 5 10.966 3.274 -12.582 1.00 1.57 C ATOM 0 HA PRO A 5 9.213 2.781 -9.920 1.00 1.21 H new ATOM 0 HB2 PRO A 5 9.275 0.584 -11.640 1.00 1.76 H new ATOM 0 HB3 PRO A 5 8.414 2.053 -12.055 1.00 1.76 H new ATOM 0 HG2 PRO A 5 11.155 1.159 -12.912 1.00 1.77 H new ATOM 0 HG3 PRO A 5 9.896 1.921 -13.864 1.00 1.77 H new ATOM 0 HD2 PRO A 5 11.997 3.352 -12.927 1.00 1.57 H new ATOM 0 HD3 PRO A 5 10.406 4.075 -13.066 1.00 1.57 H new ATOM 73 N PRO A 6 10.455 1.351 -8.386 1.00 0.66 N ATOM 74 CA PRO A 6 11.103 0.446 -7.431 1.00 0.47 C ATOM 75 C PRO A 6 10.739 -1.013 -7.688 1.00 0.48 C ATOM 76 O PRO A 6 9.735 -1.310 -8.343 1.00 0.62 O ATOM 77 CB PRO A 6 10.563 0.903 -6.070 1.00 0.59 C ATOM 78 CG PRO A 6 9.980 2.254 -6.309 1.00 0.87 C ATOM 79 CD PRO A 6 9.505 2.253 -7.729 1.00 0.84 C ATOM 0 HA PRO A 6 12.190 0.490 -7.502 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.810 0.211 -5.694 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.358 0.944 -5.326 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.157 2.451 -5.622 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.724 3.034 -6.147 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.480 1.892 -7.813 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.528 3.252 -8.164 1.00 0.84 H new ATOM 87 N LYS A 7 11.538 -1.925 -7.155 1.00 0.45 N ATOM 88 CA LYS A 7 11.333 -3.339 -7.396 1.00 0.52 C ATOM 89 C LYS A 7 10.716 -3.930 -6.156 1.00 0.42 C ATOM 90 O LYS A 7 11.416 -4.376 -5.248 1.00 0.42 O ATOM 91 CB LYS A 7 12.646 -4.062 -7.731 1.00 0.65 C ATOM 92 CG LYS A 7 13.412 -3.499 -8.927 1.00 1.24 C ATOM 93 CD LYS A 7 12.671 -3.711 -10.240 1.00 1.37 C ATOM 94 CE LYS A 7 11.761 -2.539 -10.573 1.00 1.70 C ATOM 95 NZ LYS A 7 10.879 -2.833 -11.729 1.00 2.49 N ATOM 0 H LYS A 7 12.333 -1.708 -6.554 1.00 0.45 H new ATOM 0 HA LYS A 7 10.678 -3.465 -8.258 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.295 -4.028 -6.856 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.425 -5.112 -7.923 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.583 -2.433 -8.777 1.00 1.24 H new ATOM 0 HG3 LYS A 7 14.391 -3.974 -8.984 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.392 -3.851 -11.045 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.079 -4.624 -10.180 1.00 1.37 H new ATOM 0 HE2 LYS A 7 11.150 -2.295 -9.704 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.367 -1.660 -10.793 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.275 -2.009 -11.923 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.461 -3.041 -12.566 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.282 -3.656 -11.510 1.00 2.49 H new ATOM 109 N ILE A 8 9.404 -3.879 -6.090 1.00 0.41 N ATOM 110 CA ILE A 8 8.719 -4.246 -4.880 1.00 0.34 C ATOM 111 C ILE A 8 8.545 -5.758 -4.809 1.00 0.36 C ATOM 112 O ILE A 8 7.891 -6.368 -5.661 1.00 0.48 O ATOM 113 CB ILE A 8 7.351 -3.547 -4.748 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.451 -2.063 -5.130 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.856 -3.677 -3.317 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.361 -1.256 -4.225 1.00 0.39 C ATOM 0 H ILE A 8 8.797 -3.588 -6.857 1.00 0.41 H new ATOM 0 HA ILE A 8 9.336 -3.912 -4.046 1.00 0.34 H new ATOM 0 HB ILE A 8 6.648 -4.027 -5.429 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.813 -1.985 -6.155 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.453 -1.625 -5.110 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.889 -3.184 -3.220 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.752 -4.732 -3.062 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.571 -3.209 -2.641 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.379 -0.219 -4.559 1.00 0.39 H new ATOM 0 HD12 ILE A 8 7.989 -1.301 -3.201 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.370 -1.667 -4.263 1.00 0.39 H new ATOM 128 N VAL A 9 9.142 -6.342 -3.787 1.00 0.31 N ATOM 129 CA VAL A 9 9.169 -7.779 -3.601 1.00 0.36 C ATOM 130 C VAL A 9 8.065 -8.206 -2.655 1.00 0.34 C ATOM 131 O VAL A 9 7.867 -7.600 -1.608 1.00 0.47 O ATOM 132 CB VAL A 9 10.524 -8.226 -3.018 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.624 -9.742 -2.939 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.657 -7.650 -3.841 1.00 0.86 C ATOM 0 H VAL A 9 9.628 -5.825 -3.054 1.00 0.31 H new ATOM 0 HA VAL A 9 9.022 -8.246 -4.575 1.00 0.36 H new ATOM 0 HB VAL A 9 10.600 -7.844 -2.000 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.592 -10.022 -2.523 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.830 -10.126 -2.299 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.522 -10.166 -3.938 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.611 -7.971 -3.422 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.575 -8.002 -4.869 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.602 -6.562 -3.825 1.00 0.86 H new ATOM 144 N TRP A 10 7.345 -9.238 -3.022 1.00 0.33 N ATOM 145 CA TRP A 10 6.276 -9.725 -2.184 1.00 0.31 C ATOM 146 C TRP A 10 6.805 -10.737 -1.177 1.00 0.34 C ATOM 147 O TRP A 10 7.285 -11.812 -1.540 1.00 0.42 O ATOM 148 CB TRP A 10 5.161 -10.321 -3.039 1.00 0.38 C ATOM 149 CG TRP A 10 4.058 -10.960 -2.241 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.597 -10.569 -1.017 1.00 0.40 C ATOM 151 CD2 TRP A 10 3.270 -12.092 -2.622 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.585 -11.397 -0.605 1.00 0.46 N ATOM 153 CE2 TRP A 10 2.358 -12.336 -1.577 1.00 0.52 C ATOM 154 CE3 TRP A 10 3.244 -12.923 -3.745 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.437 -13.380 -1.621 1.00 0.62 C ATOM 156 CZ3 TRP A 10 2.329 -13.955 -3.789 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.434 -14.175 -2.736 1.00 0.72 C ATOM 0 H TRP A 10 7.478 -9.755 -3.891 1.00 0.33 H new ATOM 0 HA TRP A 10 5.859 -8.888 -1.625 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.736 -9.536 -3.664 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.589 -11.066 -3.710 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.975 -9.728 -0.454 1.00 0.40 H new ATOM 0 HE1 TRP A 10 2.083 -11.326 0.280 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.928 -12.760 -4.565 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.751 -13.556 -0.806 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 2.303 -14.604 -4.651 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.727 -14.988 -2.804 1.00 0.72 H new ATOM 168 N ASN A 11 6.730 -10.360 0.087 1.00 0.34 N ATOM 169 CA ASN A 11 7.109 -11.222 1.188 1.00 0.43 C ATOM 170 C ASN A 11 5.891 -12.029 1.614 1.00 0.45 C ATOM 171 O ASN A 11 5.097 -11.583 2.445 1.00 0.46 O ATOM 172 CB ASN A 11 7.633 -10.376 2.350 1.00 0.47 C ATOM 173 CG ASN A 11 8.267 -11.197 3.452 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.857 -12.323 3.734 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.283 -10.631 4.077 1.00 1.08 N ATOM 0 H ASN A 11 6.402 -9.439 0.379 1.00 0.34 H new ATOM 0 HA ASN A 11 7.902 -11.903 0.880 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.366 -9.664 1.970 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.810 -9.795 2.767 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.762 -11.129 4.827 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.589 -9.695 3.810 1.00 1.08 H new ATOM 182 N GLU A 12 5.727 -13.194 1.003 1.00 0.53 N ATOM 183 CA GLU A 12 4.541 -14.015 1.212 1.00 0.59 C ATOM 184 C GLU A 12 4.396 -14.456 2.667 1.00 0.62 C ATOM 185 O GLU A 12 3.276 -14.607 3.158 1.00 0.65 O ATOM 186 CB GLU A 12 4.568 -15.246 0.298 1.00 0.76 C ATOM 187 CG GLU A 12 5.669 -16.242 0.633 1.00 1.09 C ATOM 188 CD GLU A 12 5.582 -17.510 -0.187 1.00 1.43 C ATOM 189 OE1 GLU A 12 4.585 -18.255 -0.041 1.00 1.71 O ATOM 190 OE2 GLU A 12 6.515 -17.781 -0.968 1.00 1.92 O ATOM 0 H GLU A 12 6.405 -13.594 0.354 1.00 0.53 H new ATOM 0 HA GLU A 12 3.679 -13.397 0.962 1.00 0.59 H new ATOM 0 HB2 GLU A 12 3.604 -15.752 0.358 1.00 0.76 H new ATOM 0 HB3 GLU A 12 4.691 -14.917 -0.734 1.00 0.76 H new ATOM 0 HG2 GLU A 12 6.639 -15.773 0.467 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.614 -16.495 1.692 1.00 1.09 H new ATOM 197 N GLY A 13 5.517 -14.637 3.364 1.00 0.65 N ATOM 198 CA GLY A 13 5.459 -15.140 4.723 1.00 0.73 C ATOM 199 C GLY A 13 4.862 -14.132 5.678 1.00 0.70 C ATOM 200 O GLY A 13 4.224 -14.493 6.664 1.00 0.80 O ATOM 0 H GLY A 13 6.456 -14.445 3.014 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.867 -16.055 4.745 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.463 -15.402 5.055 1.00 0.73 H new ATOM 204 N LYS A 14 5.064 -12.861 5.372 1.00 0.59 N ATOM 205 CA LYS A 14 4.568 -11.782 6.214 1.00 0.59 C ATOM 206 C LYS A 14 3.323 -11.164 5.602 1.00 0.51 C ATOM 207 O LYS A 14 2.691 -10.297 6.209 1.00 0.55 O ATOM 208 CB LYS A 14 5.640 -10.701 6.403 1.00 0.61 C ATOM 209 CG LYS A 14 6.779 -11.082 7.344 1.00 0.86 C ATOM 210 CD LYS A 14 7.539 -12.316 6.867 1.00 1.21 C ATOM 211 CE LYS A 14 8.780 -12.566 7.698 1.00 1.26 C ATOM 212 NZ LYS A 14 9.465 -13.835 7.330 1.00 1.79 N ATOM 0 H LYS A 14 5.570 -12.549 4.543 1.00 0.59 H new ATOM 0 HA LYS A 14 4.319 -12.202 7.188 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.061 -10.453 5.429 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.162 -9.798 6.782 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.470 -10.244 7.431 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.377 -11.269 8.340 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.886 -13.187 6.917 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.821 -12.188 5.822 1.00 1.21 H new ATOM 0 HE2 LYS A 14 9.472 -11.733 7.572 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.507 -12.597 8.753 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.308 -13.960 7.927 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.816 -14.635 7.475 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 9.751 -13.798 6.331 1.00 1.79 H new ATOM 226 N ARG A 15 2.969 -11.641 4.409 1.00 0.45 N ATOM 227 CA ARG A 15 1.887 -11.056 3.623 1.00 0.44 C ATOM 228 C ARG A 15 2.137 -9.569 3.448 1.00 0.37 C ATOM 229 O ARG A 15 1.318 -8.741 3.846 1.00 0.52 O ATOM 230 CB ARG A 15 0.529 -11.262 4.298 1.00 0.56 C ATOM 231 CG ARG A 15 0.249 -12.688 4.734 1.00 0.66 C ATOM 232 CD ARG A 15 -1.070 -12.771 5.481 1.00 0.87 C ATOM 233 NE ARG A 15 -1.179 -11.727 6.500 1.00 1.83 N ATOM 234 CZ ARG A 15 -1.895 -11.836 7.618 1.00 2.36 C ATOM 235 NH1 ARG A 15 -2.574 -12.945 7.881 1.00 2.32 N ATOM 236 NH2 ARG A 15 -1.936 -10.826 8.474 1.00 3.42 N ATOM 0 H ARG A 15 3.422 -12.439 3.964 1.00 0.45 H new ATOM 0 HA ARG A 15 1.866 -11.554 2.654 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.469 -10.611 5.170 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.255 -10.946 3.610 1.00 0.56 H new ATOM 0 HG2 ARG A 15 0.221 -13.341 3.862 1.00 0.66 H new ATOM 0 HG3 ARG A 15 1.057 -13.044 5.373 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.895 -12.678 4.775 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.161 -13.750 5.951 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.672 -10.856 6.344 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -2.551 -13.725 7.224 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -3.119 -13.018 8.740 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -1.420 -9.968 8.276 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -2.483 -10.906 9.331 1.00 3.42 H new ATOM 250 N ARG A 16 3.283 -9.228 2.882 1.00 0.27 N ATOM 251 CA ARG A 16 3.656 -7.834 2.752 1.00 0.24 C ATOM 252 C ARG A 16 4.522 -7.600 1.521 1.00 0.23 C ATOM 253 O ARG A 16 5.051 -8.542 0.941 1.00 0.29 O ATOM 254 CB ARG A 16 4.394 -7.388 4.015 1.00 0.33 C ATOM 255 CG ARG A 16 5.868 -7.744 4.054 1.00 0.55 C ATOM 256 CD ARG A 16 6.530 -7.117 5.266 1.00 0.68 C ATOM 257 NE ARG A 16 7.979 -7.304 5.279 1.00 0.91 N ATOM 258 CZ ARG A 16 8.748 -7.018 6.325 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.208 -6.530 7.437 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.059 -7.205 6.251 1.00 1.86 N ATOM 0 H ARG A 16 3.963 -9.891 2.510 1.00 0.27 H new ATOM 0 HA ARG A 16 2.748 -7.243 2.629 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.294 -6.307 4.114 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.905 -7.834 4.881 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.987 -8.827 4.086 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.357 -7.397 3.144 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.306 -6.051 5.286 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.104 -7.549 6.171 1.00 0.68 H new ATOM 0 HE ARG A 16 8.425 -7.674 4.440 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.201 -6.374 7.489 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.800 -6.311 8.238 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.475 -7.567 5.393 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.651 -6.986 7.052 1.00 1.86 H new ATOM 274 N PHE A 17 4.657 -6.345 1.125 1.00 0.23 N ATOM 275 CA PHE A 17 5.515 -5.988 0.006 1.00 0.24 C ATOM 276 C PHE A 17 6.705 -5.182 0.503 1.00 0.30 C ATOM 277 O PHE A 17 6.560 -4.295 1.338 1.00 0.55 O ATOM 278 CB PHE A 17 4.753 -5.183 -1.051 1.00 0.28 C ATOM 279 CG PHE A 17 3.494 -5.835 -1.537 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.547 -7.029 -2.239 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.258 -5.263 -1.287 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.388 -7.634 -2.686 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.097 -5.864 -1.731 1.00 0.40 C ATOM 284 CZ PHE A 17 1.159 -7.036 -2.443 1.00 0.41 C ATOM 0 H PHE A 17 4.183 -5.555 1.562 1.00 0.23 H new ATOM 0 HA PHE A 17 5.863 -6.912 -0.457 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.505 -4.206 -0.637 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.411 -5.011 -1.903 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.503 -7.491 -2.438 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.201 -4.335 -0.738 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.438 -8.570 -3.223 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.140 -5.412 -1.518 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.253 -7.492 -2.814 1.00 0.41 H new ATOM 294 N GLU A 18 7.874 -5.508 -0.009 1.00 0.22 N ATOM 295 CA GLU A 18 9.110 -4.848 0.370 1.00 0.25 C ATOM 296 C GLU A 18 9.739 -4.180 -0.831 1.00 0.29 C ATOM 297 O GLU A 18 9.786 -4.757 -1.905 1.00 0.39 O ATOM 298 CB GLU A 18 10.071 -5.875 0.959 1.00 0.34 C ATOM 299 CG GLU A 18 10.035 -5.936 2.469 1.00 1.08 C ATOM 300 CD GLU A 18 10.727 -7.165 3.024 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.971 -7.242 2.961 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.027 -8.070 3.527 1.00 1.16 O ATOM 0 H GLU A 18 7.996 -6.244 -0.705 1.00 0.22 H new ATOM 0 HA GLU A 18 8.893 -4.083 1.116 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.830 -6.859 0.557 1.00 0.34 H new ATOM 0 HB3 GLU A 18 11.085 -5.639 0.637 1.00 0.34 H new ATOM 0 HG2 GLU A 18 10.509 -5.043 2.876 1.00 1.08 H new ATOM 0 HG3 GLU A 18 8.998 -5.926 2.804 1.00 1.08 H new ATOM 309 N THR A 19 10.220 -2.965 -0.661 1.00 0.25 N ATOM 310 CA THR A 19 10.894 -2.282 -1.748 1.00 0.29 C ATOM 311 C THR A 19 12.210 -2.996 -2.065 1.00 0.35 C ATOM 312 O THR A 19 12.630 -3.889 -1.325 1.00 0.37 O ATOM 313 CB THR A 19 11.146 -0.794 -1.400 1.00 0.33 C ATOM 314 OG1 THR A 19 11.642 -0.090 -2.544 1.00 0.46 O ATOM 315 CG2 THR A 19 12.134 -0.663 -0.258 1.00 0.37 C ATOM 0 H THR A 19 10.159 -2.435 0.208 1.00 0.25 H new ATOM 0 HA THR A 19 10.253 -2.309 -2.629 1.00 0.29 H new ATOM 0 HB THR A 19 10.195 -0.359 -1.093 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.795 0.849 -2.309 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.293 0.392 -0.034 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.739 -1.166 0.625 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.082 -1.120 -0.542 1.00 0.37 H new ATOM 323 N GLU A 20 12.871 -2.588 -3.145 1.00 0.43 N ATOM 324 CA GLU A 20 14.138 -3.195 -3.560 1.00 0.53 C ATOM 325 C GLU A 20 15.233 -2.905 -2.543 1.00 0.56 C ATOM 326 O GLU A 20 16.373 -3.339 -2.682 1.00 0.68 O ATOM 327 CB GLU A 20 14.543 -2.658 -4.929 1.00 0.62 C ATOM 328 CG GLU A 20 14.759 -1.153 -4.963 1.00 0.77 C ATOM 329 CD GLU A 20 15.119 -0.655 -6.345 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.325 -0.609 -6.668 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.196 -0.320 -7.115 1.00 1.90 O ATOM 0 H GLU A 20 12.550 -1.835 -3.754 1.00 0.43 H new ATOM 0 HA GLU A 20 14.003 -4.275 -3.621 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.461 -3.154 -5.246 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.772 -2.921 -5.654 1.00 0.62 H new ATOM 0 HG2 GLU A 20 13.853 -0.651 -4.623 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.553 -0.886 -4.265 1.00 0.77 H new ATOM 338 N ASP A 21 14.853 -2.170 -1.525 1.00 0.52 N ATOM 339 CA ASP A 21 15.752 -1.746 -0.477 1.00 0.60 C ATOM 340 C ASP A 21 15.448 -2.509 0.815 1.00 0.54 C ATOM 341 O ASP A 21 16.303 -2.652 1.690 1.00 0.59 O ATOM 342 CB ASP A 21 15.606 -0.232 -0.325 1.00 0.67 C ATOM 343 CG ASP A 21 15.969 0.294 1.039 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.181 0.341 1.339 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.061 0.611 1.825 1.00 1.31 O ATOM 0 H ASP A 21 13.895 -1.844 -1.399 1.00 0.52 H new ATOM 0 HA ASP A 21 16.790 -1.971 -0.724 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.234 0.258 -1.069 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.575 0.045 -0.546 1.00 0.67 H new ATOM 350 N HIS A 22 14.218 -3.021 0.895 1.00 0.45 N ATOM 351 CA HIS A 22 13.769 -3.911 1.977 1.00 0.45 C ATOM 352 C HIS A 22 13.681 -3.227 3.341 1.00 0.44 C ATOM 353 O HIS A 22 13.127 -3.795 4.283 1.00 0.51 O ATOM 354 CB HIS A 22 14.652 -5.157 2.065 1.00 0.57 C ATOM 355 CG HIS A 22 14.476 -6.082 0.905 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.572 -7.121 0.908 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.075 -6.110 -0.305 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.624 -7.748 -0.250 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.527 -7.155 -1.004 1.00 0.82 N ATOM 0 H HIS A 22 13.494 -2.829 0.203 1.00 0.45 H new ATOM 0 HA HIS A 22 12.753 -4.204 1.713 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.697 -4.852 2.123 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.424 -5.692 2.987 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.958 -7.367 1.685 1.00 0.65 H new ATOM 0 HD2 HIS A 22 15.842 -5.436 -0.656 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.028 -8.603 -0.533 1.00 0.76 H new ATOM 368 N GLU A 23 14.214 -2.022 3.455 1.00 0.47 N ATOM 369 CA GLU A 23 14.094 -1.260 4.690 1.00 0.52 C ATOM 370 C GLU A 23 12.745 -0.554 4.701 1.00 0.40 C ATOM 371 O GLU A 23 12.269 -0.083 5.735 1.00 0.49 O ATOM 372 CB GLU A 23 15.243 -0.259 4.808 1.00 0.69 C ATOM 373 CG GLU A 23 16.599 -0.890 4.541 1.00 0.84 C ATOM 374 CD GLU A 23 17.759 0.061 4.745 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.512 1.284 4.827 1.00 1.72 O ATOM 376 OE2 GLU A 23 18.920 -0.395 4.827 1.00 2.28 O ATOM 0 H GLU A 23 14.732 -1.551 2.713 1.00 0.47 H new ATOM 0 HA GLU A 23 14.152 -1.929 5.548 1.00 0.52 H new ATOM 0 HB2 GLU A 23 15.082 0.558 4.104 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.240 0.176 5.807 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.726 -1.751 5.197 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.622 -1.264 3.517 1.00 0.84 H new ATOM 383 N ALA A 24 12.142 -0.504 3.522 1.00 0.29 N ATOM 384 CA ALA A 24 10.799 0.013 3.348 1.00 0.22 C ATOM 385 C ALA A 24 9.869 -1.112 2.912 1.00 0.17 C ATOM 386 O ALA A 24 10.206 -1.893 2.016 1.00 0.19 O ATOM 387 CB ALA A 24 10.788 1.137 2.325 1.00 0.26 C ATOM 0 H ALA A 24 12.576 -0.824 2.656 1.00 0.29 H new ATOM 0 HA ALA A 24 10.449 0.416 4.299 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.771 1.512 2.208 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.436 1.945 2.665 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.149 0.761 1.368 1.00 0.26 H new ATOM 393 N PHE A 25 8.710 -1.192 3.543 1.00 0.14 N ATOM 394 CA PHE A 25 7.766 -2.268 3.285 1.00 0.15 C ATOM 395 C PHE A 25 6.354 -1.862 3.672 1.00 0.15 C ATOM 396 O PHE A 25 6.148 -0.851 4.348 1.00 0.17 O ATOM 397 CB PHE A 25 8.148 -3.530 4.059 1.00 0.23 C ATOM 398 CG PHE A 25 8.313 -3.317 5.540 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.219 -3.376 6.390 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.562 -3.058 6.082 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.367 -3.179 7.747 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.714 -2.863 7.440 1.00 0.47 C ATOM 403 CZ PHE A 25 8.617 -2.922 8.273 1.00 0.52 C ATOM 0 H PHE A 25 8.398 -0.519 4.243 1.00 0.14 H new ATOM 0 HA PHE A 25 7.801 -2.475 2.215 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.383 -4.289 3.895 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.080 -3.924 3.653 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.239 -3.579 5.984 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.425 -3.008 5.435 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.506 -3.226 8.397 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.693 -2.664 7.850 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.736 -2.767 9.335 1.00 0.52 H new ATOM 413 N ILE A 26 5.394 -2.656 3.231 1.00 0.20 N ATOM 414 CA ILE A 26 4.012 -2.490 3.625 1.00 0.23 C ATOM 415 C ILE A 26 3.404 -3.854 3.928 1.00 0.23 C ATOM 416 O ILE A 26 3.599 -4.797 3.160 1.00 0.26 O ATOM 417 CB ILE A 26 3.195 -1.754 2.529 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.444 -0.595 3.165 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.231 -2.682 1.781 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.449 0.070 2.247 1.00 0.73 C ATOM 0 H ILE A 26 5.554 -3.433 2.590 1.00 0.20 H new ATOM 0 HA ILE A 26 3.977 -1.873 4.523 1.00 0.23 H new ATOM 0 HB ILE A 26 3.896 -1.382 1.782 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.921 -0.957 4.050 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.165 0.150 3.503 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.688 -2.112 1.028 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.795 -3.478 1.296 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.523 -3.117 2.487 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.956 0.886 2.775 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.967 0.464 1.373 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.704 -0.659 1.929 1.00 0.73 H new ATOM 432 N GLU A 27 2.707 -3.971 5.049 1.00 0.22 N ATOM 433 CA GLU A 27 2.043 -5.221 5.402 1.00 0.23 C ATOM 434 C GLU A 27 0.586 -5.174 4.983 1.00 0.22 C ATOM 435 O GLU A 27 0.081 -4.122 4.589 1.00 0.27 O ATOM 436 CB GLU A 27 2.124 -5.497 6.908 1.00 0.26 C ATOM 437 CG GLU A 27 3.341 -6.307 7.335 1.00 0.65 C ATOM 438 CD GLU A 27 4.397 -5.481 8.042 1.00 1.14 C ATOM 439 OE1 GLU A 27 4.035 -4.500 8.723 1.00 1.65 O ATOM 440 OE2 GLU A 27 5.595 -5.832 7.938 1.00 1.23 O ATOM 0 H GLU A 27 2.586 -3.220 5.728 1.00 0.22 H new ATOM 0 HA GLU A 27 2.557 -6.025 4.875 1.00 0.23 H new ATOM 0 HB2 GLU A 27 2.132 -4.545 7.439 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.223 -6.027 7.217 1.00 0.26 H new ATOM 0 HG2 GLU A 27 3.019 -7.112 7.995 1.00 0.65 H new ATOM 0 HG3 GLU A 27 3.784 -6.774 6.455 1.00 0.65 H new ATOM 447 N TYR A 28 -0.085 -6.315 5.051 1.00 0.23 N ATOM 448 CA TYR A 28 -1.514 -6.362 4.810 1.00 0.22 C ATOM 449 C TYR A 28 -2.110 -7.661 5.338 1.00 0.28 C ATOM 450 O TYR A 28 -1.391 -8.613 5.654 1.00 0.45 O ATOM 451 CB TYR A 28 -1.837 -6.178 3.311 1.00 0.29 C ATOM 452 CG TYR A 28 -1.463 -7.353 2.420 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.304 -8.456 2.297 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.279 -7.352 1.693 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.972 -9.523 1.485 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.060 -8.418 0.878 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.790 -9.500 0.778 1.00 0.60 C ATOM 458 OH TYR A 28 -0.452 -10.567 -0.029 1.00 0.70 O ATOM 0 H TYR A 28 0.339 -7.216 5.271 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.970 -5.533 5.351 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.905 -5.989 3.206 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.319 -5.289 2.950 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.233 -8.478 2.847 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.388 -6.505 1.765 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.636 -10.371 1.405 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.986 -8.403 0.323 1.00 0.50 H new ATOM 0 HH TYR A 28 0.491 -10.496 -0.288 1.00 0.70 H new ATOM 468 N LYS A 29 -3.427 -7.676 5.447 1.00 0.24 N ATOM 469 CA LYS A 29 -4.155 -8.823 5.965 1.00 0.32 C ATOM 470 C LYS A 29 -5.517 -8.932 5.292 1.00 0.25 C ATOM 471 O LYS A 29 -6.256 -7.955 5.208 1.00 0.31 O ATOM 472 CB LYS A 29 -4.308 -8.687 7.476 1.00 0.49 C ATOM 473 CG LYS A 29 -4.474 -7.244 7.912 1.00 0.58 C ATOM 474 CD LYS A 29 -4.211 -7.042 9.388 1.00 0.74 C ATOM 475 CE LYS A 29 -2.998 -7.823 9.868 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.715 -7.585 11.310 1.00 1.52 N ATOM 0 H LYS A 29 -4.023 -6.893 5.179 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.597 -9.734 5.747 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -5.172 -9.265 7.805 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.434 -9.114 7.967 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -3.794 -6.615 7.337 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.486 -6.914 7.680 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -4.059 -5.981 9.586 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -5.088 -7.351 9.957 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.164 -8.888 9.702 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.127 -7.540 9.276 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.881 -8.136 11.596 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.531 -6.573 11.465 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -3.535 -7.879 11.878 1.00 1.52 H new ATOM 490 N MET A 30 -5.839 -10.115 4.800 1.00 0.32 N ATOM 491 CA MET A 30 -7.097 -10.328 4.104 1.00 0.27 C ATOM 492 C MET A 30 -8.219 -10.573 5.115 1.00 0.30 C ATOM 493 O MET A 30 -8.284 -11.624 5.754 1.00 0.39 O ATOM 494 CB MET A 30 -6.964 -11.510 3.139 1.00 0.36 C ATOM 495 CG MET A 30 -5.831 -11.343 2.139 1.00 1.00 C ATOM 496 SD MET A 30 -5.552 -12.819 1.139 1.00 1.12 S ATOM 497 CE MET A 30 -7.120 -12.957 0.284 1.00 1.85 C ATOM 0 H MET A 30 -5.248 -10.943 4.869 1.00 0.32 H new ATOM 0 HA MET A 30 -7.345 -9.438 3.526 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.802 -12.422 3.713 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.902 -11.636 2.598 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.054 -10.502 1.482 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.915 -11.095 2.674 1.00 1.00 H new ATOM 0 HE1 MET A 30 -6.978 -13.500 -0.651 1.00 1.85 H new ATOM 0 HE2 MET A 30 -7.831 -13.495 0.912 1.00 1.85 H new ATOM 0 HE3 MET A 30 -7.507 -11.961 0.070 1.00 1.85 H new ATOM 507 N ARG A 31 -9.087 -9.584 5.245 1.00 0.29 N ATOM 508 CA ARG A 31 -10.183 -9.603 6.199 1.00 0.39 C ATOM 509 C ARG A 31 -11.469 -10.000 5.497 1.00 0.42 C ATOM 510 O ARG A 31 -11.510 -10.055 4.266 1.00 0.38 O ATOM 511 CB ARG A 31 -10.361 -8.210 6.816 1.00 0.46 C ATOM 512 CG ARG A 31 -9.214 -7.771 7.715 1.00 0.67 C ATOM 513 CD ARG A 31 -9.323 -6.295 8.076 1.00 0.66 C ATOM 514 NE ARG A 31 -10.600 -5.971 8.712 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.040 -4.729 8.924 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.292 -3.679 8.596 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.230 -4.536 9.480 1.00 2.03 N ATOM 0 H ARG A 31 -9.050 -8.734 4.683 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.954 -10.325 6.983 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.477 -7.482 6.013 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.285 -8.197 7.394 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.214 -8.370 8.625 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.265 -7.955 7.212 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.507 -6.026 8.747 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.206 -5.693 7.175 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.193 -6.745 9.013 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.372 -3.819 8.178 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.638 -2.734 8.763 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.805 -5.336 9.744 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.569 -3.588 9.643 1.00 2.03 H new ATOM 531 N ASN A 32 -12.508 -10.276 6.278 1.00 0.55 N ATOM 532 CA ASN A 32 -13.834 -10.556 5.734 1.00 0.64 C ATOM 533 C ASN A 32 -13.779 -11.785 4.829 1.00 0.65 C ATOM 534 O ASN A 32 -14.269 -11.762 3.702 1.00 0.66 O ATOM 535 CB ASN A 32 -14.346 -9.328 4.962 1.00 0.64 C ATOM 536 CG ASN A 32 -15.834 -9.367 4.691 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.598 -9.994 5.423 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.260 -8.669 3.654 1.00 0.99 N ATOM 0 H ASN A 32 -12.457 -10.312 7.296 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.525 -10.766 6.550 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.111 -8.427 5.529 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.813 -9.256 4.014 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.256 -8.636 3.436 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -15.593 -8.163 3.071 1.00 0.99 H new ATOM 545 N ASN A 33 -13.149 -12.850 5.337 1.00 0.73 N ATOM 546 CA ASN A 33 -12.958 -14.096 4.586 1.00 0.83 C ATOM 547 C ASN A 33 -12.024 -13.883 3.403 1.00 0.78 C ATOM 548 O ASN A 33 -12.001 -14.671 2.458 1.00 1.04 O ATOM 549 CB ASN A 33 -14.295 -14.673 4.109 1.00 0.95 C ATOM 550 CG ASN A 33 -15.094 -15.298 5.233 1.00 1.62 C ATOM 551 OD1 ASN A 33 -14.535 -15.826 6.193 1.00 1.82 O ATOM 552 ND2 ASN A 33 -16.409 -15.240 5.125 1.00 2.33 N ATOM 0 H ASN A 33 -12.758 -12.873 6.279 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.500 -14.816 5.264 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.884 -13.881 3.646 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.109 -15.423 3.340 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -16.999 -15.642 5.854 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -16.835 -14.793 4.313 1.00 2.33 H new ATOM 559 N GLY A 34 -11.247 -12.815 3.473 1.00 0.55 N ATOM 560 CA GLY A 34 -10.277 -12.531 2.441 1.00 0.52 C ATOM 561 C GLY A 34 -10.868 -11.741 1.293 1.00 0.48 C ATOM 562 O GLY A 34 -10.347 -11.766 0.178 1.00 0.62 O ATOM 0 H GLY A 34 -11.272 -12.135 4.233 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.445 -11.973 2.872 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.870 -13.468 2.062 1.00 0.52 H new ATOM 566 N LYS A 35 -11.963 -11.045 1.563 1.00 0.40 N ATOM 567 CA LYS A 35 -12.588 -10.200 0.555 1.00 0.40 C ATOM 568 C LYS A 35 -12.080 -8.772 0.667 1.00 0.28 C ATOM 569 O LYS A 35 -12.238 -7.972 -0.254 1.00 0.28 O ATOM 570 CB LYS A 35 -14.110 -10.222 0.696 1.00 0.52 C ATOM 571 CG LYS A 35 -14.697 -11.619 0.658 1.00 0.67 C ATOM 572 CD LYS A 35 -14.305 -12.353 -0.614 1.00 0.85 C ATOM 573 CE LYS A 35 -14.843 -13.772 -0.628 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.327 -13.806 -0.561 1.00 1.60 N ATOM 0 H LYS A 35 -12.435 -11.048 2.467 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.323 -10.594 -0.426 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.388 -9.745 1.636 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.551 -9.629 -0.105 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.354 -12.183 1.525 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.783 -11.560 0.726 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.685 -11.811 -1.480 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.219 -12.374 -0.703 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.509 -14.277 -1.535 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.429 -14.325 0.215 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.661 -14.774 -0.743 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.639 -13.504 0.384 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -16.722 -13.164 -1.278 1.00 1.60 H new ATOM 588 N VAL A 36 -11.475 -8.459 1.803 1.00 0.25 N ATOM 589 CA VAL A 36 -10.934 -7.131 2.040 1.00 0.19 C ATOM 590 C VAL A 36 -9.471 -7.213 2.439 1.00 0.16 C ATOM 591 O VAL A 36 -9.119 -7.890 3.386 1.00 0.22 O ATOM 592 CB VAL A 36 -11.725 -6.390 3.141 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.108 -5.029 3.439 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.182 -6.233 2.736 1.00 0.30 C ATOM 0 H VAL A 36 -11.347 -9.110 2.577 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.025 -6.572 1.109 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.677 -6.990 4.050 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.685 -4.530 4.217 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.081 -5.162 3.778 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.116 -4.420 2.535 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.724 -5.709 3.523 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.243 -5.660 1.811 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.625 -7.217 2.583 1.00 0.30 H new ATOM 604 N MET A 37 -8.621 -6.527 1.711 1.00 0.15 N ATOM 605 CA MET A 37 -7.212 -6.483 2.040 1.00 0.18 C ATOM 606 C MET A 37 -6.910 -5.268 2.888 1.00 0.16 C ATOM 607 O MET A 37 -7.017 -4.135 2.434 1.00 0.17 O ATOM 608 CB MET A 37 -6.354 -6.475 0.778 1.00 0.24 C ATOM 609 CG MET A 37 -6.228 -7.844 0.131 1.00 0.51 C ATOM 610 SD MET A 37 -5.031 -7.875 -1.215 1.00 1.03 S ATOM 611 CE MET A 37 -5.057 -9.613 -1.636 1.00 1.66 C ATOM 0 H MET A 37 -8.880 -5.989 0.884 1.00 0.15 H new ATOM 0 HA MET A 37 -6.968 -7.380 2.609 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.784 -5.778 0.058 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.359 -6.104 1.025 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.936 -8.572 0.887 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.202 -8.152 -0.249 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.101 -10.066 -1.371 1.00 1.66 H new ATOM 0 HE2 MET A 37 -5.858 -10.108 -1.087 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.228 -9.726 -2.707 1.00 1.66 H new ATOM 621 N ASP A 38 -6.560 -5.511 4.130 1.00 0.17 N ATOM 622 CA ASP A 38 -6.226 -4.439 5.042 1.00 0.18 C ATOM 623 C ASP A 38 -4.754 -4.123 4.907 1.00 0.18 C ATOM 624 O ASP A 38 -3.906 -4.905 5.322 1.00 0.20 O ATOM 625 CB ASP A 38 -6.556 -4.851 6.475 1.00 0.24 C ATOM 626 CG ASP A 38 -6.663 -3.680 7.434 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.631 -3.074 7.775 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.791 -3.378 7.872 1.00 0.81 O ATOM 0 H ASP A 38 -6.499 -6.445 4.534 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.810 -3.551 4.800 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.498 -5.400 6.479 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.787 -5.535 6.834 1.00 0.24 H new ATOM 633 N LEU A 39 -4.462 -2.991 4.294 1.00 0.18 N ATOM 634 CA LEU A 39 -3.091 -2.559 4.078 1.00 0.19 C ATOM 635 C LEU A 39 -2.568 -1.932 5.351 1.00 0.20 C ATOM 636 O LEU A 39 -2.980 -0.839 5.731 1.00 0.28 O ATOM 637 CB LEU A 39 -3.011 -1.564 2.908 1.00 0.20 C ATOM 638 CG LEU A 39 -3.051 -2.171 1.501 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.133 -3.228 1.364 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.258 -1.069 0.472 1.00 0.22 C ATOM 0 H LEU A 39 -5.165 -2.346 3.932 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.476 -3.421 3.819 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.837 -0.859 3.001 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.089 -0.991 3.008 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.095 -2.664 1.325 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.123 -3.629 0.351 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.947 -4.033 2.075 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.106 -2.781 1.568 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.286 -1.504 -0.527 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.200 -0.557 0.671 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.437 -0.355 0.534 1.00 0.22 H new ATOM 652 N VAL A 40 -1.664 -2.625 6.008 1.00 0.17 N ATOM 653 CA VAL A 40 -1.233 -2.235 7.330 1.00 0.20 C ATOM 654 C VAL A 40 0.214 -1.776 7.321 1.00 0.18 C ATOM 655 O VAL A 40 1.098 -2.516 6.909 1.00 0.23 O ATOM 656 CB VAL A 40 -1.359 -3.401 8.332 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.087 -2.926 9.748 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.726 -4.048 8.238 1.00 0.88 C ATOM 0 H VAL A 40 -1.212 -3.465 5.645 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.882 -1.415 7.638 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.610 -4.150 8.074 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.181 -3.765 10.438 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.078 -2.519 9.808 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.806 -2.153 10.017 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -2.791 -4.867 8.954 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.495 -3.309 8.462 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.877 -4.434 7.230 1.00 0.88 H new ATOM 668 N HIS A 41 0.435 -0.541 7.743 1.00 0.16 N ATOM 669 CA HIS A 41 1.772 -0.064 8.073 1.00 0.17 C ATOM 670 C HIS A 41 2.625 0.176 6.837 1.00 0.14 C ATOM 671 O HIS A 41 3.229 -0.743 6.288 1.00 0.17 O ATOM 672 CB HIS A 41 2.473 -1.060 9.017 1.00 0.22 C ATOM 673 CG HIS A 41 3.748 -0.562 9.638 1.00 0.42 C ATOM 674 ND1 HIS A 41 3.891 -0.377 10.993 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.951 -0.254 9.094 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.120 0.020 11.259 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.790 0.103 10.123 1.00 0.67 N ATOM 0 H HIS A 41 -0.300 0.155 7.866 1.00 0.16 H new ATOM 0 HA HIS A 41 1.656 0.896 8.575 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.780 -1.330 9.814 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.690 -1.972 8.461 1.00 0.22 H new ATOM 0 HD2 HIS A 41 5.204 -0.284 8.044 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.513 0.240 12.241 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.766 0.385 10.026 1.00 0.67 H new ATOM 686 N THR A 42 2.669 1.424 6.409 1.00 0.16 N ATOM 687 CA THR A 42 3.622 1.834 5.404 1.00 0.16 C ATOM 688 C THR A 42 4.902 2.251 6.110 1.00 0.20 C ATOM 689 O THR A 42 4.858 2.944 7.134 1.00 0.31 O ATOM 690 CB THR A 42 3.101 3.008 4.534 1.00 0.20 C ATOM 691 OG1 THR A 42 4.019 3.280 3.474 1.00 0.22 O ATOM 692 CG2 THR A 42 2.907 4.266 5.374 1.00 0.31 C ATOM 0 H THR A 42 2.056 2.167 6.743 1.00 0.16 H new ATOM 0 HA THR A 42 3.795 0.994 4.731 1.00 0.16 H new ATOM 0 HB THR A 42 2.138 2.715 4.116 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.558 3.198 2.613 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.541 5.074 4.740 1.00 0.31 H new ATOM 0 HG22 THR A 42 2.182 4.068 6.164 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.859 4.557 5.819 1.00 0.31 H new ATOM 700 N TYR A 43 6.035 1.802 5.620 1.00 0.22 N ATOM 701 CA TYR A 43 7.287 2.220 6.201 1.00 0.29 C ATOM 702 C TYR A 43 8.315 2.475 5.123 1.00 0.27 C ATOM 703 O TYR A 43 8.368 1.765 4.122 1.00 0.37 O ATOM 704 CB TYR A 43 7.807 1.192 7.203 1.00 0.45 C ATOM 705 CG TYR A 43 8.834 1.784 8.134 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.550 2.892 8.919 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.086 1.201 8.245 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.494 3.405 9.788 1.00 1.53 C ATOM 709 CE2 TYR A 43 11.035 1.705 9.104 1.00 1.34 C ATOM 710 CZ TYR A 43 10.711 2.941 9.820 1.00 1.58 C ATOM 711 OH TYR A 43 11.676 3.313 10.749 1.00 2.02 O ATOM 0 H TYR A 43 6.115 1.158 4.833 1.00 0.22 H new ATOM 0 HA TYR A 43 7.108 3.151 6.740 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.974 0.798 7.785 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.246 0.351 6.666 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.579 3.360 8.850 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.321 0.334 7.646 1.00 0.94 H new ATOM 0 HE1 TYR A 43 9.217 4.208 10.455 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.983 1.208 9.245 1.00 1.34 H new ATOM 0 HH TYR A 43 12.508 2.828 10.568 1.00 2.02 H new ATOM 721 N VAL A 44 9.117 3.501 5.336 1.00 0.25 N ATOM 722 CA VAL A 44 10.145 3.888 4.392 1.00 0.28 C ATOM 723 C VAL A 44 11.208 4.729 5.110 1.00 0.34 C ATOM 724 O VAL A 44 10.874 5.607 5.907 1.00 0.36 O ATOM 725 CB VAL A 44 9.535 4.679 3.205 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.929 5.996 3.668 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.568 4.908 2.118 1.00 0.60 C ATOM 0 H VAL A 44 9.073 4.089 6.168 1.00 0.25 H new ATOM 0 HA VAL A 44 10.611 2.989 3.989 1.00 0.28 H new ATOM 0 HB VAL A 44 8.730 4.076 2.785 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.511 6.525 2.812 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.140 5.798 4.393 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.702 6.609 4.131 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.115 5.464 1.297 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.404 5.477 2.525 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.928 3.947 1.750 1.00 0.60 H new ATOM 737 N PRO A 45 12.499 4.429 4.891 1.00 0.41 N ATOM 738 CA PRO A 45 13.604 5.188 5.489 1.00 0.48 C ATOM 739 C PRO A 45 13.720 6.605 4.931 1.00 0.51 C ATOM 740 O PRO A 45 13.089 6.947 3.929 1.00 0.50 O ATOM 741 CB PRO A 45 14.853 4.374 5.119 1.00 0.61 C ATOM 742 CG PRO A 45 14.343 3.050 4.667 1.00 0.79 C ATOM 743 CD PRO A 45 12.990 3.310 4.079 1.00 0.48 C ATOM 0 HA PRO A 45 13.460 5.314 6.562 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.423 4.866 4.330 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.520 4.267 5.975 1.00 0.61 H new ATOM 0 HG2 PRO A 45 15.011 2.605 3.929 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.279 2.351 5.501 1.00 0.79 H new ATOM 0 HD2 PRO A 45 13.050 3.571 3.023 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.340 2.438 4.155 1.00 0.48 H new ATOM 751 N SER A 46 14.562 7.405 5.575 1.00 0.63 N ATOM 752 CA SER A 46 14.765 8.807 5.218 1.00 0.77 C ATOM 753 C SER A 46 15.246 8.977 3.774 1.00 0.80 C ATOM 754 O SER A 46 15.078 10.038 3.171 1.00 0.94 O ATOM 755 CB SER A 46 15.779 9.401 6.189 1.00 0.91 C ATOM 756 OG SER A 46 16.762 8.432 6.516 1.00 1.39 O ATOM 0 H SER A 46 15.128 7.098 6.366 1.00 0.63 H new ATOM 0 HA SER A 46 13.810 9.328 5.288 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.253 10.276 5.743 1.00 0.91 H new ATOM 0 HB3 SER A 46 15.274 9.739 7.094 1.00 0.91 H new ATOM 0 HG SER A 46 17.411 8.821 7.139 1.00 1.39 H new ATOM 762 N PHE A 47 15.840 7.921 3.232 1.00 0.75 N ATOM 763 CA PHE A 47 16.329 7.914 1.857 1.00 0.80 C ATOM 764 C PHE A 47 15.182 8.106 0.863 1.00 0.73 C ATOM 765 O PHE A 47 15.356 8.717 -0.191 1.00 0.82 O ATOM 766 CB PHE A 47 17.032 6.582 1.576 1.00 0.83 C ATOM 767 CG PHE A 47 17.819 6.544 0.292 1.00 1.39 C ATOM 768 CD1 PHE A 47 17.221 6.154 -0.895 1.00 2.13 C ATOM 769 CD2 PHE A 47 19.159 6.890 0.278 1.00 1.61 C ATOM 770 CE1 PHE A 47 17.945 6.108 -2.072 1.00 3.04 C ATOM 771 CE2 PHE A 47 19.888 6.849 -0.895 1.00 2.39 C ATOM 772 CZ PHE A 47 19.280 6.455 -2.072 1.00 3.12 C ATOM 0 H PHE A 47 15.997 7.046 3.732 1.00 0.75 H new ATOM 0 HA PHE A 47 17.029 8.741 1.735 1.00 0.80 H new ATOM 0 HB2 PHE A 47 17.704 6.360 2.405 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.284 5.790 1.551 1.00 0.83 H new ATOM 0 HD1 PHE A 47 16.176 5.882 -0.901 1.00 2.13 H new ATOM 0 HD2 PHE A 47 19.641 7.196 1.195 1.00 1.61 H new ATOM 0 HE1 PHE A 47 17.466 5.801 -2.990 1.00 3.04 H new ATOM 0 HE2 PHE A 47 20.932 7.125 -0.892 1.00 2.39 H new ATOM 0 HZ PHE A 47 19.849 6.419 -2.989 1.00 3.12 H new ATOM 782 N LYS A 48 14.006 7.591 1.204 1.00 0.61 N ATOM 783 CA LYS A 48 12.886 7.557 0.265 1.00 0.60 C ATOM 784 C LYS A 48 11.590 8.032 0.914 1.00 0.64 C ATOM 785 O LYS A 48 10.505 7.811 0.371 1.00 0.78 O ATOM 786 CB LYS A 48 12.687 6.133 -0.261 1.00 0.55 C ATOM 787 CG LYS A 48 13.893 5.563 -0.984 1.00 0.76 C ATOM 788 CD LYS A 48 13.675 4.106 -1.366 1.00 0.81 C ATOM 789 CE LYS A 48 13.665 3.193 -0.146 1.00 0.97 C ATOM 790 NZ LYS A 48 14.979 3.170 0.555 1.00 1.19 N ATOM 0 H LYS A 48 13.802 7.192 2.120 1.00 0.61 H new ATOM 0 HA LYS A 48 13.128 8.232 -0.556 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.437 5.480 0.575 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.833 6.124 -0.939 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.092 6.150 -1.881 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.774 5.646 -0.347 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.730 4.008 -1.900 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.462 3.789 -2.050 1.00 0.81 H new ATOM 0 HE2 LYS A 48 12.892 3.525 0.547 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.403 2.181 -0.455 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.960 2.449 1.304 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.732 2.943 -0.126 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.164 4.102 0.977 1.00 1.19 H new ATOM 804 N ARG A 49 11.706 8.692 2.059 1.00 0.73 N ATOM 805 CA ARG A 49 10.533 9.096 2.833 1.00 0.84 C ATOM 806 C ARG A 49 9.633 10.049 2.045 1.00 0.91 C ATOM 807 O ARG A 49 8.431 9.824 1.934 1.00 1.75 O ATOM 808 CB ARG A 49 10.959 9.728 4.162 1.00 1.03 C ATOM 809 CG ARG A 49 11.999 10.823 4.021 1.00 1.35 C ATOM 810 CD ARG A 49 12.336 11.435 5.367 1.00 1.45 C ATOM 811 NE ARG A 49 13.313 12.517 5.261 1.00 1.92 N ATOM 812 CZ ARG A 49 14.117 12.884 6.259 1.00 2.48 C ATOM 813 NH1 ARG A 49 14.089 12.228 7.414 1.00 2.70 N ATOM 814 NH2 ARG A 49 14.953 13.900 6.102 1.00 3.23 N ATOM 0 H ARG A 49 12.598 8.960 2.474 1.00 0.73 H new ATOM 0 HA ARG A 49 9.952 8.198 3.042 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.078 10.139 4.655 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.354 8.948 4.813 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.902 10.414 3.568 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.627 11.597 3.349 1.00 1.35 H new ATOM 0 HD2 ARG A 49 11.425 11.817 5.827 1.00 1.45 H new ATOM 0 HD3 ARG A 49 12.727 10.661 6.027 1.00 1.45 H new ATOM 0 HE ARG A 49 13.383 13.018 4.376 1.00 1.92 H new ATOM 0 HH11 ARG A 49 13.451 11.442 7.539 1.00 2.70 H new ATOM 0 HH12 ARG A 49 14.705 12.511 8.176 1.00 2.70 H new ATOM 0 HH21 ARG A 49 14.983 14.404 5.216 1.00 3.23 H new ATOM 0 HH22 ARG A 49 15.567 14.178 6.868 1.00 3.23 H new ATOM 828 N GLY A 50 10.220 11.091 1.476 1.00 1.00 N ATOM 829 CA GLY A 50 9.445 12.042 0.706 1.00 1.07 C ATOM 830 C GLY A 50 9.574 11.793 -0.779 1.00 0.98 C ATOM 831 O GLY A 50 9.378 12.694 -1.593 1.00 1.12 O ATOM 0 H GLY A 50 11.218 11.295 1.533 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.396 11.977 0.996 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.778 13.054 0.936 1.00 1.07 H new ATOM 835 N LEU A 51 9.904 10.558 -1.130 1.00 0.81 N ATOM 836 CA LEU A 51 10.114 10.195 -2.523 1.00 0.81 C ATOM 837 C LEU A 51 8.832 9.652 -3.137 1.00 0.71 C ATOM 838 O LEU A 51 8.634 9.736 -4.346 1.00 0.88 O ATOM 839 CB LEU A 51 11.222 9.145 -2.641 1.00 0.82 C ATOM 840 CG LEU A 51 11.700 8.850 -4.065 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.299 10.096 -4.701 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.712 7.713 -4.057 1.00 1.95 C ATOM 0 H LEU A 51 10.032 9.791 -0.469 1.00 0.81 H new ATOM 0 HA LEU A 51 10.412 11.093 -3.063 1.00 0.81 H new ATOM 0 HB2 LEU A 51 12.076 9.476 -2.051 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.867 8.216 -2.195 1.00 0.82 H new ATOM 0 HG LEU A 51 10.840 8.545 -4.661 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.632 9.864 -5.713 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.546 10.883 -4.739 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.148 10.435 -4.108 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.043 7.514 -5.076 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.569 7.993 -3.445 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.249 6.817 -3.644 1.00 1.95 H new ATOM 854 N GLY A 52 7.958 9.090 -2.309 1.00 0.52 N ATOM 855 CA GLY A 52 6.763 8.481 -2.850 1.00 0.43 C ATOM 856 C GLY A 52 6.676 7.001 -2.541 1.00 0.32 C ATOM 857 O GLY A 52 5.590 6.421 -2.555 1.00 0.28 O ATOM 0 H GLY A 52 8.054 9.046 -1.294 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.886 8.986 -2.444 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.743 8.625 -3.930 1.00 0.43 H new ATOM 861 N LEU A 53 7.834 6.391 -2.288 1.00 0.31 N ATOM 862 CA LEU A 53 7.953 4.937 -2.158 1.00 0.27 C ATOM 863 C LEU A 53 6.935 4.368 -1.165 1.00 0.20 C ATOM 864 O LEU A 53 6.314 3.344 -1.444 1.00 0.20 O ATOM 865 CB LEU A 53 9.391 4.576 -1.734 1.00 0.29 C ATOM 866 CG LEU A 53 9.757 3.083 -1.741 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.248 2.379 -0.496 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.206 2.405 -2.983 1.00 0.67 C ATOM 0 H LEU A 53 8.716 6.889 -2.167 1.00 0.31 H new ATOM 0 HA LEU A 53 7.736 4.487 -3.127 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.082 5.099 -2.395 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.557 4.963 -0.728 1.00 0.29 H new ATOM 0 HG LEU A 53 10.845 3.012 -1.749 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.525 1.325 -0.535 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.690 2.838 0.388 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.163 2.467 -0.446 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.475 1.349 -2.971 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.121 2.503 -3.000 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.626 2.876 -3.872 1.00 0.67 H new ATOM 880 N ALA A 54 6.760 5.033 -0.027 1.00 0.19 N ATOM 881 CA ALA A 54 5.803 4.589 0.987 1.00 0.17 C ATOM 882 C ALA A 54 4.412 4.378 0.385 1.00 0.15 C ATOM 883 O ALA A 54 3.777 3.337 0.577 1.00 0.15 O ATOM 884 CB ALA A 54 5.739 5.602 2.119 1.00 0.24 C ATOM 0 H ALA A 54 7.268 5.883 0.218 1.00 0.19 H new ATOM 0 HA ALA A 54 6.145 3.632 1.380 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.024 5.264 2.870 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.724 5.701 2.575 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.422 6.568 1.725 1.00 0.24 H new ATOM 890 N SER A 55 3.953 5.379 -0.342 1.00 0.17 N ATOM 891 CA SER A 55 2.671 5.323 -1.023 1.00 0.21 C ATOM 892 C SER A 55 2.669 4.271 -2.132 1.00 0.21 C ATOM 893 O SER A 55 1.642 3.646 -2.395 1.00 0.25 O ATOM 894 CB SER A 55 2.339 6.701 -1.591 1.00 0.28 C ATOM 895 OG SER A 55 2.361 7.682 -0.569 1.00 1.08 O ATOM 0 H SER A 55 4.458 6.255 -0.478 1.00 0.17 H new ATOM 0 HA SER A 55 1.908 5.033 -0.301 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.057 6.962 -2.368 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.355 6.679 -2.060 1.00 0.28 H new ATOM 0 HG SER A 55 2.148 8.558 -0.952 1.00 1.08 H new ATOM 901 N HIS A 56 3.819 4.060 -2.767 1.00 0.21 N ATOM 902 CA HIS A 56 3.933 3.056 -3.829 1.00 0.23 C ATOM 903 C HIS A 56 3.710 1.657 -3.271 1.00 0.20 C ATOM 904 O HIS A 56 3.205 0.778 -3.966 1.00 0.23 O ATOM 905 CB HIS A 56 5.296 3.121 -4.531 1.00 0.29 C ATOM 906 CG HIS A 56 5.400 4.197 -5.571 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.245 5.539 -5.480 1.00 0.79 N flip ATOM 908 CD2 HIS A 56 5.716 3.942 -6.890 1.00 0.70 C flip ATOM 909 CE1 HIS A 56 5.470 6.060 -6.728 1.00 0.99 C flip ATOM 910 NE2 HIS A 56 5.752 5.078 -7.561 1.00 0.93 N flip ATOM 0 H HIS A 56 4.682 4.566 -2.569 1.00 0.21 H new ATOM 0 HA HIS A 56 3.161 3.279 -4.566 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.071 3.279 -3.781 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.497 2.158 -4.999 1.00 0.29 H new ATOM 0 HD1 HIS A 56 5.005 6.065 -4.639 1.00 0.79 H new ATOM 0 HD2 HIS A 56 5.905 2.964 -7.308 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.424 7.107 -6.987 1.00 0.99 H new ATOM 919 N LEU A 57 4.078 1.463 -2.010 1.00 0.15 N ATOM 920 CA LEU A 57 3.857 0.189 -1.337 1.00 0.13 C ATOM 921 C LEU A 57 2.361 -0.052 -1.187 1.00 0.13 C ATOM 922 O LEU A 57 1.868 -1.161 -1.401 1.00 0.15 O ATOM 923 CB LEU A 57 4.532 0.190 0.038 1.00 0.14 C ATOM 924 CG LEU A 57 6.029 0.488 0.019 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.527 0.774 1.424 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.799 -0.675 -0.588 1.00 0.22 C ATOM 0 H LEU A 57 4.531 2.172 -1.433 1.00 0.15 H new ATOM 0 HA LEU A 57 4.293 -0.612 -1.934 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.037 0.929 0.669 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.376 -0.783 0.504 1.00 0.14 H new ATOM 0 HG LEU A 57 6.197 1.371 -0.598 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.596 0.985 1.395 1.00 0.19 H new ATOM 0 HD12 LEU A 57 5.998 1.637 1.829 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.345 -0.094 2.058 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.864 -0.443 -0.593 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.626 -1.574 0.003 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.460 -0.842 -1.610 1.00 0.22 H new ATOM 938 N CYS A 58 1.648 1.009 -0.826 1.00 0.16 N ATOM 939 CA CYS A 58 0.196 0.961 -0.711 1.00 0.19 C ATOM 940 C CYS A 58 -0.442 0.701 -2.073 1.00 0.19 C ATOM 941 O CYS A 58 -1.380 -0.090 -2.191 1.00 0.20 O ATOM 942 CB CYS A 58 -0.323 2.278 -0.127 1.00 0.23 C ATOM 943 SG CYS A 58 -2.088 2.276 0.260 1.00 0.27 S ATOM 0 H CYS A 58 2.056 1.918 -0.607 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.075 0.143 -0.043 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.236 2.504 0.781 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.119 3.081 -0.835 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.773 2.422 -0.835 1.00 0.27 H new ATOM 949 N VAL A 59 0.089 1.359 -3.096 1.00 0.19 N ATOM 950 CA VAL A 59 -0.402 1.199 -4.459 1.00 0.22 C ATOM 951 C VAL A 59 -0.247 -0.243 -4.935 1.00 0.20 C ATOM 952 O VAL A 59 -1.131 -0.781 -5.591 1.00 0.22 O ATOM 953 CB VAL A 59 0.330 2.151 -5.431 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.047 1.867 -6.878 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.025 3.596 -5.083 1.00 0.29 C ATOM 0 H VAL A 59 0.866 2.014 -3.006 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.462 1.453 -4.452 1.00 0.22 H new ATOM 0 HB VAL A 59 1.401 1.977 -5.324 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.486 2.555 -7.535 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.224 0.842 -7.130 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.121 2.001 -7.007 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.548 4.255 -5.776 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.049 3.769 -5.157 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.357 3.803 -4.066 1.00 0.29 H new ATOM 965 N ALA A 60 0.864 -0.874 -4.579 1.00 0.18 N ATOM 966 CA ALA A 60 1.122 -2.248 -4.997 1.00 0.21 C ATOM 967 C ALA A 60 0.100 -3.213 -4.414 1.00 0.17 C ATOM 968 O ALA A 60 -0.277 -4.192 -5.064 1.00 0.17 O ATOM 969 CB ALA A 60 2.531 -2.665 -4.609 1.00 0.28 C ATOM 0 H ALA A 60 1.598 -0.460 -4.005 1.00 0.18 H new ATOM 0 HA ALA A 60 1.030 -2.287 -6.082 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.707 -3.692 -4.928 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.252 -2.006 -5.093 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.646 -2.596 -3.527 1.00 0.28 H new ATOM 975 N ALA A 61 -0.368 -2.947 -3.198 1.00 0.16 N ATOM 976 CA ALA A 61 -1.407 -3.771 -2.623 1.00 0.16 C ATOM 977 C ALA A 61 -2.722 -3.494 -3.337 1.00 0.14 C ATOM 978 O ALA A 61 -3.533 -4.400 -3.548 1.00 0.15 O ATOM 979 CB ALA A 61 -1.521 -3.521 -1.133 1.00 0.20 C ATOM 0 H ALA A 61 -0.047 -2.180 -2.607 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.154 -4.823 -2.757 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.308 -4.150 -0.718 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.573 -3.760 -0.650 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.764 -2.473 -0.957 1.00 0.20 H new ATOM 985 N PHE A 62 -2.912 -2.235 -3.734 1.00 0.14 N ATOM 986 CA PHE A 62 -4.058 -1.854 -4.546 1.00 0.15 C ATOM 987 C PHE A 62 -4.047 -2.616 -5.862 1.00 0.15 C ATOM 988 O PHE A 62 -5.044 -3.231 -6.232 1.00 0.16 O ATOM 989 CB PHE A 62 -4.063 -0.352 -4.850 1.00 0.17 C ATOM 990 CG PHE A 62 -4.491 0.539 -3.717 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.604 0.228 -2.962 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.800 1.709 -3.435 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.021 1.059 -1.942 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.212 2.545 -2.414 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.325 2.219 -1.667 1.00 0.24 C ATOM 0 H PHE A 62 -2.284 -1.465 -3.504 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.953 -2.100 -3.974 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.060 -0.059 -5.160 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.724 -0.173 -5.698 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.155 -0.677 -3.172 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.930 1.969 -4.020 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.893 0.802 -1.358 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.664 3.451 -2.202 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.651 2.870 -0.869 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.910 -2.573 -6.562 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.758 -3.241 -7.856 1.00 0.19 C ATOM 1007 C GLU A 63 -3.149 -4.707 -7.754 1.00 0.19 C ATOM 1008 O GLU A 63 -3.769 -5.270 -8.659 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.310 -3.166 -8.348 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.719 -1.769 -8.392 1.00 0.29 C ATOM 1011 CD GLU A 63 0.636 -1.751 -9.064 1.00 1.16 C ATOM 1012 OE1 GLU A 63 1.654 -1.959 -8.368 1.00 1.58 O ATOM 1013 OE2 GLU A 63 0.698 -1.490 -10.282 1.00 1.98 O ATOM 0 H GLU A 63 -2.075 -2.078 -6.250 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.412 -2.728 -8.560 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.690 -3.786 -7.701 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.259 -3.597 -9.348 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.398 -1.104 -8.926 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.626 -1.382 -7.377 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.787 -5.311 -6.635 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.991 -6.733 -6.435 1.00 0.19 C ATOM 1022 C HIS A 64 -4.472 -7.040 -6.242 1.00 0.19 C ATOM 1023 O HIS A 64 -5.036 -7.899 -6.928 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.175 -7.213 -5.232 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.085 -8.706 -5.120 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.802 -9.590 -4.384 1.00 1.50 N flip ATOM 1027 CD2 HIS A 64 -1.167 -9.458 -5.822 1.00 1.13 C flip ATOM 1028 CE1 HIS A 64 -2.308 -10.842 -4.653 1.00 1.68 C flip ATOM 1029 NE2 HIS A 64 -1.324 -10.733 -5.523 1.00 1.33 N flip ATOM 0 H HIS A 64 -2.348 -4.834 -5.848 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.650 -7.266 -7.322 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.168 -6.801 -5.300 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.621 -6.816 -4.320 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -0.433 -9.064 -6.510 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -2.667 -11.765 -4.222 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -0.776 -11.505 -5.902 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.101 -6.319 -5.325 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.494 -6.567 -4.988 1.00 0.16 C ATOM 1040 C ALA A 65 -7.432 -6.133 -6.105 1.00 0.15 C ATOM 1041 O ALA A 65 -8.322 -6.891 -6.490 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.855 -5.871 -3.693 1.00 0.20 C ATOM 0 H ALA A 65 -4.668 -5.558 -4.802 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.615 -7.643 -4.858 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.901 -6.066 -3.454 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.223 -6.248 -2.889 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.702 -4.797 -3.802 1.00 0.20 H new ATOM 1048 N SER A 66 -7.228 -4.924 -6.629 1.00 0.16 N ATOM 1049 CA SER A 66 -8.082 -4.393 -7.696 1.00 0.20 C ATOM 1050 C SER A 66 -8.210 -5.369 -8.864 1.00 0.24 C ATOM 1051 O SER A 66 -9.313 -5.619 -9.353 1.00 0.31 O ATOM 1052 CB SER A 66 -7.537 -3.052 -8.198 1.00 0.24 C ATOM 1053 OG SER A 66 -6.179 -3.165 -8.594 1.00 1.21 O ATOM 0 H SER A 66 -6.482 -4.294 -6.334 1.00 0.16 H new ATOM 0 HA SER A 66 -9.075 -4.247 -7.272 1.00 0.20 H new ATOM 0 HB2 SER A 66 -8.136 -2.705 -9.040 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.628 -2.302 -7.412 1.00 0.24 H new ATOM 0 HG SER A 66 -5.600 -2.841 -7.873 1.00 1.21 H new ATOM 1059 N SER A 67 -7.087 -5.938 -9.289 1.00 0.25 N ATOM 1060 CA SER A 67 -7.075 -6.844 -10.427 1.00 0.33 C ATOM 1061 C SER A 67 -7.853 -8.125 -10.115 1.00 0.34 C ATOM 1062 O SER A 67 -8.507 -8.694 -10.992 1.00 0.44 O ATOM 1063 CB SER A 67 -5.632 -7.177 -10.820 1.00 0.39 C ATOM 1064 OG SER A 67 -5.565 -7.733 -12.125 1.00 1.20 O ATOM 0 H SER A 67 -6.174 -5.786 -8.861 1.00 0.25 H new ATOM 0 HA SER A 67 -7.564 -6.348 -11.266 1.00 0.33 H new ATOM 0 HB2 SER A 67 -5.024 -6.274 -10.776 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.211 -7.880 -10.101 1.00 0.39 H new ATOM 0 HG SER A 67 -4.632 -7.933 -12.348 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.802 -8.567 -8.862 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.493 -9.794 -8.460 1.00 0.35 C ATOM 1072 C HIS A 68 -9.933 -9.498 -8.023 1.00 0.37 C ATOM 1073 O HIS A 68 -10.666 -10.405 -7.629 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.725 -10.481 -7.322 1.00 0.37 C ATOM 1075 CG HIS A 68 -8.102 -11.921 -7.094 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -9.219 -12.315 -6.386 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -7.481 -13.062 -7.468 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -9.261 -13.634 -6.333 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -8.219 -14.112 -6.983 1.00 0.82 N ATOM 0 H HIS A 68 -7.294 -8.100 -8.111 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.531 -10.462 -9.321 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.658 -10.428 -7.537 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.892 -9.924 -6.400 1.00 0.37 H new ATOM 0 HD1 HIS A 68 -9.905 -11.686 -5.969 1.00 1.25 H new ATOM 0 HD2 HIS A 68 -6.570 -13.134 -8.044 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -10.021 -14.222 -5.840 1.00 1.03 H new ATOM 1088 N SER A 69 -10.328 -8.229 -8.107 1.00 0.33 N ATOM 1089 CA SER A 69 -11.656 -7.788 -7.677 1.00 0.37 C ATOM 1090 C SER A 69 -11.807 -7.938 -6.157 1.00 0.34 C ATOM 1091 O SER A 69 -12.859 -8.327 -5.652 1.00 0.54 O ATOM 1092 CB SER A 69 -12.754 -8.567 -8.420 1.00 0.47 C ATOM 1093 OG SER A 69 -14.048 -8.127 -8.045 1.00 1.12 O ATOM 0 H SER A 69 -9.741 -7.480 -8.473 1.00 0.33 H new ATOM 0 HA SER A 69 -11.766 -6.733 -7.926 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.624 -8.444 -9.495 1.00 0.47 H new ATOM 0 HB3 SER A 69 -12.654 -9.631 -8.206 1.00 0.47 H new ATOM 0 HG SER A 69 -14.125 -8.132 -7.068 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.741 -7.615 -5.439 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.746 -7.667 -3.985 1.00 0.21 C ATOM 1101 C ILE A 70 -10.862 -6.252 -3.416 1.00 0.19 C ATOM 1102 O ILE A 70 -10.381 -5.294 -4.022 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.460 -8.356 -3.452 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.334 -9.764 -4.039 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.461 -8.422 -1.931 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -8.079 -10.493 -3.606 1.00 0.36 C ATOM 0 H ILE A 70 -9.855 -7.312 -5.844 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.605 -8.255 -3.662 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.603 -7.759 -3.765 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -10.204 -10.350 -3.744 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.348 -9.697 -5.127 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.549 -8.909 -1.587 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.509 -7.412 -1.523 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.326 -8.992 -1.592 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -8.058 -11.483 -4.061 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.202 -9.929 -3.924 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -8.072 -10.592 -2.521 1.00 0.36 H new ATOM 1118 N SER A 71 -11.505 -6.122 -2.265 1.00 0.19 N ATOM 1119 CA SER A 71 -11.664 -4.827 -1.626 1.00 0.19 C ATOM 1120 C SER A 71 -10.504 -4.596 -0.664 1.00 0.17 C ATOM 1121 O SER A 71 -9.762 -5.525 -0.366 1.00 0.19 O ATOM 1122 CB SER A 71 -13.005 -4.771 -0.897 1.00 0.23 C ATOM 1123 OG SER A 71 -14.062 -5.133 -1.770 1.00 1.01 O ATOM 0 H SER A 71 -11.925 -6.899 -1.755 1.00 0.19 H new ATOM 0 HA SER A 71 -11.655 -4.037 -2.377 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.988 -5.444 -0.040 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.173 -3.766 -0.510 1.00 0.23 H new ATOM 0 HG SER A 71 -14.914 -5.094 -1.287 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.332 -3.368 -0.201 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.167 -3.007 0.596 1.00 0.14 C ATOM 1131 C ILE A 72 -9.532 -2.009 1.701 1.00 0.14 C ATOM 1132 O ILE A 72 -10.501 -1.263 1.584 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.063 -2.401 -0.324 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.490 -3.477 -1.251 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.944 -1.738 0.472 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.249 -3.040 -1.996 1.00 0.20 C ATOM 0 H ILE A 72 -10.985 -2.602 -0.363 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.790 -3.912 1.072 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.537 -1.624 -0.924 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.256 -4.364 -0.662 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.254 -3.766 -1.973 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.201 -1.332 -0.214 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.357 -0.932 1.078 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.473 -2.476 1.122 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.901 -3.854 -2.632 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.482 -2.172 -2.612 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.469 -2.779 -1.281 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.762 -2.038 2.780 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.843 -1.057 3.855 1.00 0.13 C ATOM 1150 C ILE A 73 -7.425 -0.702 4.291 1.00 0.13 C ATOM 1151 O ILE A 73 -6.722 -1.526 4.861 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.625 -1.601 5.072 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.117 -1.707 4.748 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.389 -0.727 6.299 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.772 -0.379 4.422 1.00 0.24 C ATOM 0 H ILE A 73 -8.053 -2.754 2.936 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.373 -0.180 3.483 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.258 -2.602 5.299 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.248 -2.382 3.903 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.632 -2.156 5.597 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.949 -1.128 7.144 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.326 -0.717 6.540 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.724 0.289 6.091 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.828 -0.538 4.204 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.675 0.294 5.274 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.285 0.063 3.553 1.00 0.24 H new ATOM 1167 N PRO A 74 -6.965 0.506 3.990 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.605 0.916 4.274 1.00 0.18 C ATOM 1169 C PRO A 74 -5.438 1.594 5.638 1.00 0.17 C ATOM 1170 O PRO A 74 -5.908 2.709 5.851 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.307 1.905 3.135 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.627 2.206 2.478 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.699 1.567 3.319 1.00 0.23 C ATOM 0 HA PRO A 74 -4.929 0.063 4.324 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -4.849 2.815 3.521 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.606 1.474 2.420 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -6.785 3.282 2.407 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.650 1.812 1.462 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.136 2.271 4.027 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.516 1.177 2.712 1.00 0.23 H new ATOM 1181 N SER A 75 -4.780 0.897 6.562 1.00 0.16 N ATOM 1182 CA SER A 75 -4.311 1.499 7.808 1.00 0.17 C ATOM 1183 C SER A 75 -3.118 2.403 7.490 1.00 0.16 C ATOM 1184 O SER A 75 -2.734 3.280 8.265 1.00 0.20 O ATOM 1185 CB SER A 75 -3.916 0.404 8.806 1.00 0.20 C ATOM 1186 OG SER A 75 -3.461 0.952 10.032 1.00 1.19 O ATOM 0 H SER A 75 -4.558 -0.094 6.469 1.00 0.16 H new ATOM 0 HA SER A 75 -5.105 2.092 8.262 1.00 0.17 H new ATOM 0 HB2 SER A 75 -4.772 -0.244 8.993 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.133 -0.218 8.373 1.00 0.20 H new ATOM 0 HG SER A 75 -3.219 0.227 10.645 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.557 2.157 6.313 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.560 3.006 5.662 1.00 0.17 C ATOM 1194 C CYS A 76 -2.159 4.358 5.254 1.00 0.16 C ATOM 1195 O CYS A 76 -1.620 5.047 4.390 1.00 0.20 O ATOM 1196 CB CYS A 76 -0.956 2.294 4.459 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.464 0.596 4.819 1.00 0.90 S ATOM 0 H CYS A 76 -2.791 1.331 5.763 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.765 3.202 6.381 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.680 2.292 3.644 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.087 2.853 4.112 1.00 0.25 H new ATOM 0 HG CYS A 76 0.827 0.539 4.962 1.00 0.90 H new ATOM 1203 N SER A 77 -3.337 4.652 5.795 1.00 0.20 N ATOM 1204 CA SER A 77 -4.169 5.784 5.406 1.00 0.25 C ATOM 1205 C SER A 77 -3.439 7.138 5.347 1.00 0.24 C ATOM 1206 O SER A 77 -4.034 8.123 4.918 1.00 0.26 O ATOM 1207 CB SER A 77 -5.337 5.873 6.382 1.00 0.34 C ATOM 1208 OG SER A 77 -4.886 5.763 7.722 1.00 0.71 O ATOM 0 H SER A 77 -3.751 4.091 6.539 1.00 0.20 H new ATOM 0 HA SER A 77 -4.497 5.594 4.384 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.858 6.821 6.246 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.055 5.081 6.169 1.00 0.34 H new ATOM 0 HG SER A 77 -5.651 5.824 8.331 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.174 7.205 5.761 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.348 8.360 5.420 1.00 0.24 C ATOM 1216 C TYR A 78 -1.316 8.484 3.898 1.00 0.20 C ATOM 1217 O TYR A 78 -1.508 9.562 3.341 1.00 0.21 O ATOM 1218 CB TYR A 78 0.080 8.210 5.992 1.00 0.27 C ATOM 1219 CG TYR A 78 1.198 8.467 4.988 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.615 9.765 4.711 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.849 7.421 4.340 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.643 10.016 3.824 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.878 7.666 3.445 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.211 8.910 3.112 1.00 0.25 C ATOM 1225 OH TYR A 78 4.304 9.213 2.318 1.00 0.30 O ATOM 0 H TYR A 78 -1.708 6.490 6.320 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.772 9.263 5.860 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.196 8.899 6.829 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.193 7.202 6.391 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.124 10.594 5.200 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.547 6.403 4.538 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.010 11.020 3.671 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.417 6.836 3.012 1.00 0.27 H new ATOM 0 HH TYR A 78 4.792 9.968 2.708 1.00 0.30 H new ATOM 1235 N VAL A 79 -1.109 7.347 3.245 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.153 7.255 1.800 1.00 0.17 C ATOM 1237 C VAL A 79 -2.556 7.559 1.313 1.00 0.18 C ATOM 1238 O VAL A 79 -2.751 8.324 0.381 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.766 5.842 1.314 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.867 5.741 -0.197 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.630 5.466 1.781 1.00 0.18 C ATOM 0 H VAL A 79 -0.905 6.462 3.709 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.440 7.976 1.400 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.472 5.136 1.752 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.589 4.736 -0.514 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.891 5.950 -0.508 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.194 6.465 -0.656 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.876 4.466 1.424 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.351 6.180 1.384 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.666 5.482 2.870 1.00 0.18 H new ATOM 1251 N SER A 80 -3.532 6.962 1.969 1.00 0.20 N ATOM 1252 CA SER A 80 -4.922 7.113 1.561 1.00 0.25 C ATOM 1253 C SER A 80 -5.354 8.580 1.573 1.00 0.23 C ATOM 1254 O SER A 80 -6.035 9.052 0.668 1.00 0.23 O ATOM 1255 CB SER A 80 -5.813 6.301 2.489 1.00 0.36 C ATOM 1256 OG SER A 80 -5.299 4.993 2.638 1.00 0.99 O ATOM 0 H SER A 80 -3.392 6.368 2.786 1.00 0.20 H new ATOM 0 HA SER A 80 -5.020 6.747 0.539 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.876 6.788 3.462 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.825 6.258 2.088 1.00 0.36 H new ATOM 0 HG SER A 80 -5.115 4.611 1.754 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.923 9.292 2.592 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.336 10.672 2.802 1.00 0.25 C ATOM 1264 C ASP A 81 -4.780 11.599 1.725 1.00 0.25 C ATOM 1265 O ASP A 81 -5.513 12.394 1.150 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.862 11.138 4.179 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.942 12.641 4.370 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.043 13.154 4.649 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.889 13.307 4.285 1.00 0.47 O ATOM 0 H ASP A 81 -4.279 8.937 3.298 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.424 10.713 2.745 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.463 10.650 4.946 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.832 10.815 4.328 1.00 0.31 H new ATOM 1274 N THR A 82 -3.478 11.531 1.489 1.00 0.23 N ATOM 1275 CA THR A 82 -2.851 12.395 0.495 1.00 0.25 C ATOM 1276 C THR A 82 -2.873 11.784 -0.915 1.00 0.22 C ATOM 1277 O THR A 82 -3.334 12.408 -1.877 1.00 0.23 O ATOM 1278 CB THR A 82 -1.399 12.769 0.895 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.765 13.509 -0.157 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.568 11.534 1.218 1.00 0.26 C ATOM 0 H THR A 82 -2.839 10.894 1.966 1.00 0.23 H new ATOM 0 HA THR A 82 -3.449 13.306 0.469 1.00 0.25 H new ATOM 0 HB THR A 82 -1.459 13.386 1.792 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.149 13.739 0.110 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.442 11.837 1.493 1.00 0.26 H new ATOM 0 HG22 THR A 82 -1.024 10.995 2.048 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.526 10.885 0.344 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.390 10.555 -1.022 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.102 9.934 -2.309 1.00 0.19 C ATOM 1290 C PHE A 83 -3.360 9.519 -3.050 1.00 0.19 C ATOM 1291 O PHE A 83 -3.388 9.536 -4.275 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.222 8.714 -2.093 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.306 8.407 -3.241 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.605 9.353 -3.683 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.353 7.179 -3.878 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.451 9.079 -4.740 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.492 6.901 -4.936 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.395 7.851 -5.367 1.00 2.24 C ATOM 0 H PHE A 83 -2.186 9.959 -0.220 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.591 10.677 -2.922 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.623 8.866 -1.195 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.858 7.849 -1.909 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.654 10.315 -3.196 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.057 6.431 -3.545 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.156 9.825 -5.075 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.445 5.939 -5.426 1.00 2.25 H new ATOM 0 HZ PHE A 83 2.056 7.634 -6.193 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.390 9.126 -2.317 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.612 8.626 -2.947 1.00 0.19 C ATOM 1310 C LEU A 84 -6.454 9.724 -3.609 1.00 0.22 C ATOM 1311 O LEU A 84 -7.023 9.487 -4.669 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.429 7.805 -1.960 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.029 6.329 -1.927 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.758 5.577 -0.836 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.298 5.684 -3.273 1.00 0.34 C ATOM 0 H LEU A 84 -4.410 9.141 -1.297 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.297 7.974 -3.762 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.314 8.228 -0.962 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.485 7.883 -2.219 1.00 0.20 H new ATOM 0 HG LEU A 84 -4.962 6.280 -1.710 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.447 4.532 -0.844 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.520 6.019 0.132 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.833 5.637 -1.008 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.009 4.634 -3.237 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.360 5.761 -3.508 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.719 6.194 -4.043 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.576 10.926 -3.014 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.140 12.075 -3.727 1.00 0.26 C ATOM 1329 C PRO A 85 -6.323 12.391 -4.968 1.00 0.28 C ATOM 1330 O PRO A 85 -6.849 12.827 -5.992 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.028 13.229 -2.731 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.909 12.583 -1.399 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.248 11.249 -1.621 1.00 0.22 C ATOM 0 HA PRO A 85 -8.163 11.891 -4.057 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.160 13.852 -2.946 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.904 13.876 -2.778 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.318 13.199 -0.722 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.890 12.457 -0.941 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.171 11.305 -1.466 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.630 10.494 -0.934 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.022 12.156 -4.856 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.093 12.384 -5.952 1.00 0.31 C ATOM 1343 C ARG A 86 -4.244 11.308 -7.030 1.00 0.35 C ATOM 1344 O ARG A 86 -4.053 11.573 -8.215 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.661 12.410 -5.409 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.592 12.430 -6.484 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.204 12.437 -5.875 1.00 0.72 C ATOM 1348 NE ARG A 86 0.833 12.125 -6.856 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.130 12.017 -6.555 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.557 12.277 -5.326 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.002 11.662 -7.487 1.00 2.56 N ATOM 0 H ARG A 86 -4.583 11.803 -4.005 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.319 13.346 -6.413 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.540 13.288 -4.775 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.508 11.536 -4.776 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.705 11.559 -7.129 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.721 13.311 -7.113 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.006 13.416 -5.439 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.162 11.712 -5.062 1.00 0.72 H new ATOM 0 HE ARG A 86 0.551 11.982 -7.826 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.894 12.561 -4.605 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.549 12.193 -5.102 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.684 11.470 -8.437 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.992 11.580 -7.255 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.588 10.098 -6.613 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.782 8.987 -7.539 1.00 0.37 C ATOM 1367 C ASN A 87 -6.119 8.312 -7.269 1.00 0.34 C ATOM 1368 O ASN A 87 -6.181 7.272 -6.609 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.656 7.955 -7.405 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.285 8.533 -7.684 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -1.806 8.516 -8.818 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.642 9.051 -6.651 1.00 1.22 N ATOM 0 H ASN A 87 -4.740 9.858 -5.633 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.769 9.387 -8.553 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.670 7.539 -6.398 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.843 7.130 -8.093 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.715 9.456 -6.778 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -2.074 9.046 -5.727 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.217 8.911 -7.745 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.560 8.394 -7.516 1.00 0.42 C ATOM 1381 C PRO A 88 -8.866 7.197 -8.406 1.00 0.49 C ATOM 1382 O PRO A 88 -9.734 7.262 -9.276 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.477 9.576 -7.871 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.571 10.734 -8.141 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.250 10.144 -8.533 1.00 0.46 C ATOM 0 HA PRO A 88 -8.691 8.039 -6.494 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.088 9.347 -8.744 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.161 9.799 -7.052 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -8.969 11.363 -8.937 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.470 11.364 -7.257 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.194 9.945 -9.603 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.419 10.806 -8.288 1.00 0.46 H new ATOM 1393 N SER A 89 -8.146 6.107 -8.192 1.00 0.30 N ATOM 1394 CA SER A 89 -8.349 4.906 -8.985 1.00 0.36 C ATOM 1395 C SER A 89 -8.520 3.675 -8.099 1.00 0.34 C ATOM 1396 O SER A 89 -8.733 2.567 -8.591 1.00 0.42 O ATOM 1397 CB SER A 89 -7.171 4.719 -9.945 1.00 0.44 C ATOM 1398 OG SER A 89 -5.935 4.962 -9.288 1.00 1.37 O ATOM 0 H SER A 89 -7.420 6.029 -7.480 1.00 0.30 H new ATOM 0 HA SER A 89 -9.267 5.024 -9.560 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.181 3.705 -10.345 1.00 0.44 H new ATOM 0 HB3 SER A 89 -7.276 5.397 -10.792 1.00 0.44 H new ATOM 0 HG SER A 89 -5.640 4.145 -8.834 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.439 3.870 -6.789 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.492 2.751 -5.860 1.00 0.28 C ATOM 1406 C TRP A 90 -9.656 2.913 -4.894 1.00 0.32 C ATOM 1407 O TRP A 90 -9.792 2.163 -3.926 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.180 2.648 -5.090 1.00 0.29 C ATOM 1409 CG TRP A 90 -5.966 2.851 -5.951 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.095 3.899 -5.895 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.500 1.997 -7.003 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.115 3.749 -6.840 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.340 2.592 -7.536 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.950 0.791 -7.549 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.622 2.016 -8.581 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.237 0.222 -8.586 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.085 0.836 -9.095 1.00 0.38 C ATOM 0 H TRP A 90 -8.337 4.785 -6.349 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.642 1.834 -6.430 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.177 3.389 -4.290 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.121 1.668 -4.617 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.168 4.727 -5.205 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.342 4.395 -6.999 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.840 0.313 -7.167 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.731 2.485 -8.972 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.573 -0.712 -9.012 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.552 0.368 -9.909 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.505 3.890 -5.179 1.00 0.37 N ATOM 1429 CA LYS A 91 -11.684 4.148 -4.363 1.00 0.43 C ATOM 1430 C LYS A 91 -12.679 2.976 -4.394 1.00 0.41 C ATOM 1431 O LYS A 91 -13.258 2.653 -3.361 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.365 5.448 -4.799 1.00 0.55 C ATOM 1433 CG LYS A 91 -11.489 6.673 -4.604 1.00 1.20 C ATOM 1434 CD LYS A 91 -12.250 7.960 -4.873 1.00 1.38 C ATOM 1435 CE LYS A 91 -11.448 9.171 -4.427 1.00 1.83 C ATOM 1436 NZ LYS A 91 -12.214 10.435 -4.572 1.00 2.61 N ATOM 0 H LYS A 91 -10.399 4.521 -5.974 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.347 4.255 -3.332 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.643 5.371 -5.850 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.288 5.575 -4.234 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -11.103 6.685 -3.585 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -10.628 6.614 -5.270 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -12.473 8.039 -5.937 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.205 7.938 -4.348 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -11.152 9.045 -3.386 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -10.532 9.234 -5.014 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -11.753 11.185 -4.019 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -12.242 10.711 -5.574 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -13.184 10.295 -4.225 1.00 2.61 H new ATOM 1450 N PRO A 92 -12.904 2.316 -5.561 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.760 1.120 -5.640 1.00 0.42 C ATOM 1452 C PRO A 92 -13.298 -0.022 -4.735 1.00 0.38 C ATOM 1453 O PRO A 92 -14.028 -0.991 -4.526 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.670 0.692 -7.111 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.487 1.408 -7.658 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.412 2.694 -6.898 1.00 0.43 C ATOM 0 HA PRO A 92 -14.771 1.350 -5.304 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.551 -0.388 -7.200 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.577 0.959 -7.654 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.578 0.821 -7.527 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.598 1.590 -8.727 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.394 3.081 -6.859 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.031 3.468 -7.352 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.096 0.090 -4.204 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.531 -0.959 -3.374 1.00 0.26 C ATOM 1466 C LEU A 93 -11.764 -0.669 -1.902 1.00 0.22 C ATOM 1467 O LEU A 93 -12.164 -1.545 -1.139 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.036 -1.071 -3.643 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.667 -1.173 -5.118 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.159 -1.094 -5.291 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.207 -2.467 -5.707 1.00 0.26 C ATOM 0 H LEU A 93 -11.489 0.900 -4.333 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.023 -1.900 -3.622 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.536 -0.202 -3.215 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.650 -1.948 -3.123 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.118 -0.336 -5.652 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.910 -1.168 -6.350 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.797 -0.144 -4.899 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.687 -1.914 -4.749 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.937 -2.528 -6.761 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.780 -3.316 -5.173 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.292 -2.486 -5.609 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.509 0.567 -1.513 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.592 0.956 -0.119 1.00 0.22 C ATOM 1485 C ILE A 94 -12.806 1.847 0.118 1.00 0.27 C ATOM 1486 O ILE A 94 -13.794 1.771 -0.613 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.315 1.711 0.323 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.239 3.100 -0.308 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.075 0.921 -0.054 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.304 4.020 0.434 1.00 0.75 C ATOM 0 H ILE A 94 -11.242 1.321 -2.146 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.689 0.045 0.471 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.363 1.824 1.406 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.908 3.008 -1.342 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.236 3.541 -0.330 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.186 1.466 0.264 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.100 -0.052 0.438 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.048 0.781 -1.135 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.287 4.994 -0.056 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.648 4.137 1.462 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.300 3.596 0.433 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.739 2.655 1.173 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.679 3.743 1.366 1.00 0.43 C ATOM 1504 C HIS A 95 -13.605 4.679 0.150 1.00 0.39 C ATOM 1505 O HIS A 95 -14.378 4.532 -0.794 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.350 4.493 2.661 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.623 3.715 3.919 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -14.880 3.307 4.307 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -12.780 3.282 4.889 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -14.799 2.663 5.458 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -13.536 2.634 5.834 1.00 1.70 N ATOM 0 H HIS A 95 -12.037 2.571 1.908 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.694 3.355 1.454 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.297 4.776 2.645 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.928 5.417 2.688 1.00 0.64 H new ATOM 0 HD1 HIS A 95 -15.741 3.476 3.786 1.00 2.01 H new ATOM 0 HD2 HIS A 95 -11.709 3.421 4.914 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -15.628 2.233 6.000 1.00 2.24 H new ATOM 1520 N SER A 96 -12.677 5.639 0.179 1.00 0.41 N ATOM 1521 CA SER A 96 -12.258 6.358 -1.026 1.00 0.49 C ATOM 1522 C SER A 96 -10.910 7.021 -0.773 1.00 0.67 C ATOM 1523 O SER A 96 -9.908 6.682 -1.394 1.00 1.53 O ATOM 1524 CB SER A 96 -13.285 7.412 -1.448 1.00 0.51 C ATOM 1525 OG SER A 96 -14.482 6.820 -1.925 1.00 1.43 O ATOM 0 H SER A 96 -12.199 5.937 1.029 1.00 0.41 H new ATOM 0 HA SER A 96 -12.176 5.637 -1.839 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.512 8.058 -0.600 1.00 0.51 H new ATOM 0 HB3 SER A 96 -12.858 8.045 -2.226 1.00 0.51 H new ATOM 0 HG SER A 96 -14.398 5.844 -1.897 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.909 7.967 0.152 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.713 8.608 0.623 1.00 0.52 C ATOM 1533 C GLU A 97 -9.758 8.539 2.146 1.00 0.61 C ATOM 1534 O GLU A 97 -10.302 7.577 2.694 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.695 10.052 0.136 1.00 0.47 C ATOM 1536 CG GLU A 97 -9.836 10.201 -1.371 1.00 1.09 C ATOM 1537 CD GLU A 97 -10.213 11.612 -1.771 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -10.036 12.539 -0.954 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -10.659 11.803 -2.919 1.00 1.89 O ATOM 0 H GLU A 97 -11.759 8.310 0.598 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.810 8.124 0.250 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.504 10.598 0.622 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -8.762 10.519 0.451 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.897 9.927 -1.851 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -10.594 9.507 -1.734 1.00 1.09 H new ATOM 1546 N VAL A 98 -9.237 9.534 2.840 1.00 0.58 N ATOM 1547 CA VAL A 98 -9.316 9.522 4.290 1.00 0.73 C ATOM 1548 C VAL A 98 -10.183 10.666 4.821 1.00 1.10 C ATOM 1549 O VAL A 98 -11.074 10.444 5.637 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.907 9.535 4.933 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -7.726 10.688 5.909 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.649 8.210 5.625 1.00 0.79 C ATOM 0 H VAL A 98 -8.765 10.343 2.436 1.00 0.58 H new ATOM 0 HA VAL A 98 -9.801 8.590 4.578 1.00 0.73 H new ATOM 0 HB VAL A 98 -7.180 9.680 4.134 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -6.722 10.652 6.332 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -7.865 11.634 5.385 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -8.461 10.605 6.710 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -6.657 8.222 6.076 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.399 8.053 6.401 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -7.706 7.402 4.896 1.00 0.79 H new ATOM 1562 N PHE A 99 -9.959 11.872 4.317 1.00 1.35 N ATOM 1563 CA PHE A 99 -10.578 13.062 4.896 1.00 1.84 C ATOM 1564 C PHE A 99 -11.908 13.405 4.232 1.00 1.68 C ATOM 1565 O PHE A 99 -12.541 14.397 4.587 1.00 2.21 O ATOM 1566 CB PHE A 99 -9.621 14.256 4.801 1.00 2.46 C ATOM 1567 CG PHE A 99 -9.318 14.691 3.393 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -8.384 14.007 2.629 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -9.964 15.780 2.834 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -8.102 14.402 1.338 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -9.685 16.179 1.542 1.00 4.85 C ATOM 1572 CZ PHE A 99 -8.761 15.497 0.794 1.00 5.42 C ATOM 0 H PHE A 99 -9.358 12.054 3.514 1.00 1.35 H new ATOM 0 HA PHE A 99 -10.784 12.840 5.943 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -10.052 15.097 5.345 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -8.686 13.999 5.299 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -7.871 13.155 3.050 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -10.694 16.324 3.415 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -7.372 13.862 0.753 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -10.196 17.031 1.119 1.00 4.85 H new ATOM 0 HZ PHE A 99 -8.546 15.811 -0.217 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.343 12.596 3.279 1.00 1.18 N ATOM 1583 CA LYS A 100 -13.590 12.887 2.583 1.00 1.33 C ATOM 1584 C LYS A 100 -14.704 11.974 3.075 1.00 1.40 C ATOM 1585 O LYS A 100 -15.879 12.308 2.967 1.00 2.17 O ATOM 1586 CB LYS A 100 -13.392 12.768 1.071 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.699 11.487 0.636 1.00 1.30 C ATOM 1588 CD LYS A 100 -13.592 10.262 0.771 1.00 1.47 C ATOM 1589 CE LYS A 100 -14.651 10.208 -0.323 1.00 2.02 C ATOM 1590 NZ LYS A 100 -15.661 11.300 -0.233 1.00 2.63 N ATOM 0 H LYS A 100 -11.864 11.749 2.973 1.00 1.18 H new ATOM 0 HA LYS A 100 -13.886 13.913 2.803 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -14.364 12.827 0.582 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -12.808 13.620 0.723 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -12.379 11.586 -0.401 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -11.800 11.344 1.235 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -12.981 9.361 0.729 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -14.078 10.273 1.747 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -14.160 10.259 -1.295 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -15.163 9.247 -0.274 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -16.564 10.971 -0.630 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -15.797 11.566 0.763 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -15.328 12.126 -0.769 1.00 2.63 H new ATOM 1604 N SER A 101 -14.294 10.820 3.598 1.00 1.46 N ATOM 1605 CA SER A 101 -15.179 9.834 4.216 1.00 1.92 C ATOM 1606 C SER A 101 -16.466 9.555 3.430 1.00 1.73 C ATOM 1607 O SER A 101 -17.460 10.277 3.545 1.00 2.45 O ATOM 1608 CB SER A 101 -15.476 10.268 5.642 1.00 2.55 C ATOM 1609 OG SER A 101 -16.120 11.533 5.692 1.00 3.05 O ATOM 0 H SER A 101 -13.314 10.538 3.604 1.00 1.46 H new ATOM 0 HA SER A 101 -14.652 8.880 4.212 1.00 1.92 H new ATOM 0 HB2 SER A 101 -16.107 9.521 6.124 1.00 2.55 H new ATOM 0 HB3 SER A 101 -14.546 10.313 6.208 1.00 2.55 H new ATOM 0 HG SER A 101 -16.736 11.617 4.934 1.00 3.05 H new ATOM 1615 N SER A 102 -16.435 8.496 2.629 1.00 1.56 N ATOM 1616 CA SER A 102 -17.620 8.044 1.912 1.00 1.80 C ATOM 1617 C SER A 102 -18.570 7.350 2.883 1.00 2.12 C ATOM 1618 O SER A 102 -19.657 7.851 3.175 1.00 2.73 O ATOM 1619 CB SER A 102 -17.213 7.093 0.786 1.00 2.23 C ATOM 1620 OG SER A 102 -16.204 7.678 -0.011 1.00 2.75 O ATOM 0 H SER A 102 -15.601 7.934 2.460 1.00 1.56 H new ATOM 0 HA SER A 102 -18.131 8.901 1.473 1.00 1.80 H new ATOM 0 HB2 SER A 102 -16.854 6.153 1.206 1.00 2.23 H new ATOM 0 HB3 SER A 102 -18.080 6.856 0.170 1.00 2.23 H new ATOM 0 HG SER A 102 -15.820 6.998 -0.604 1.00 2.75 H new ATOM 1626 N ILE A 103 -18.142 6.199 3.380 1.00 2.41 N ATOM 1627 CA ILE A 103 -18.864 5.483 4.419 1.00 3.09 C ATOM 1628 C ILE A 103 -17.967 4.405 5.016 1.00 3.67 C ATOM 1629 O ILE A 103 -17.608 3.455 4.291 1.00 4.17 O ATOM 1630 CB ILE A 103 -20.196 4.869 3.910 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -20.860 4.054 5.023 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -19.980 4.016 2.664 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -22.221 3.509 4.650 1.00 5.26 C ATOM 1634 OXT ILE A 103 -17.587 4.538 6.194 1.00 4.12 O ATOM 0 H ILE A 103 -17.286 5.736 3.074 1.00 2.41 H new ATOM 0 HA ILE A 103 -19.133 6.205 5.190 1.00 3.09 H new ATOM 0 HB ILE A 103 -20.861 5.686 3.630 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -20.207 3.223 5.292 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -20.960 4.680 5.909 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -20.934 3.603 2.336 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -19.559 4.632 1.869 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -19.292 3.203 2.895 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -22.628 2.943 5.488 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -22.890 4.335 4.410 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -22.126 2.855 3.783 1.00 5.26 H new TER 1646 ILE A 103