USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 836 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 93 LYS NZ :NH3+ -160:sc= 0.974 (180deg=-0.62) USER MOD Set 1.2: A 95 TYR OH : rot -150:sc= 0.451 USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.0106 X(o=-0.87,f=-0.38) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.864 K(o=-0.87,f=-0.28) USER MOD Set 3.1: A 51 SER OG : rot 76:sc= 0.0127 USER MOD Set 3.2: A 75 GLN : amide:sc= -0.137 X(o=-0.12,f=-0.44) USER MOD Set 4.1: A 20 CYS SG : rot -19:sc= 0.0108 USER MOD Set 4.2: A 27 GLN : amide:sc= -0.342 X(o=-2.7,f=-2.6) USER MOD Set 4.3: A 44 ASN : amide:sc= -3.43! K(o=-2.7!,f=-1.8) USER MOD Set 4.4: A 55 SER OG : rot 81:sc= 1.01 USER MOD Single : A 3 GLN : amide:sc= -0.727 K(o=-0.73,f=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= -0.0376 (180deg=-0.185) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0424 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -110:sc= -0.74 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0324 USER MOD Single : A 35 HIS : no HD1:sc= 0.0111 K(o=0.011,f=-2.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 SER OG : rot -96:sc= 1.31 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00181 USER MOD Single : A 70 SER OG : rot 150:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.981) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0332 (180deg=-0.231) USER MOD Single : A 80 SER OG : rot -145:sc= 1.48 USER MOD Single : A 84 CYS SG : rot 11:sc= 0.399 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0882 K(o=-0.088,f=-0.73) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.088) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 1.07 (180deg=0.709) USER MOD Single : A 105 GLN : amide:sc= 1.85 K(o=1.8,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -15.376 6.579 5.685 1.00 0.00 N ATOM 29 CA GLN A 3 -15.829 6.519 4.308 1.00 0.00 C ATOM 30 C GLN A 3 -15.154 5.362 3.573 1.00 0.00 C ATOM 31 O GLN A 3 -14.082 5.509 2.989 1.00 0.00 O ATOM 32 CB GLN A 3 -15.610 7.865 3.577 1.00 0.00 C ATOM 33 CG GLN A 3 -14.153 8.307 3.404 1.00 0.00 C ATOM 34 CD GLN A 3 -13.424 8.520 4.715 1.00 0.00 C ATOM 35 OE1 GLN A 3 -12.812 7.599 5.255 1.00 0.00 O ATOM 36 NE2 GLN A 3 -13.481 9.735 5.235 1.00 0.00 N ATOM 0 HA GLN A 3 -16.903 6.334 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.068 7.798 2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.142 8.643 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.621 7.556 2.820 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.129 9.233 2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.999 10.471 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.007 9.936 6.115 1.00 0.00 H new ATOM 45 N TRP A 4 -15.768 4.190 3.651 1.00 0.00 N ATOM 46 CA TRP A 4 -15.270 3.029 2.931 1.00 0.00 C ATOM 47 C TRP A 4 -15.583 3.163 1.449 1.00 0.00 C ATOM 48 O TRP A 4 -16.667 2.794 0.992 1.00 0.00 O ATOM 49 CB TRP A 4 -15.875 1.735 3.479 1.00 0.00 C ATOM 50 CG TRP A 4 -15.378 1.364 4.843 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.992 1.607 6.037 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.160 0.675 5.150 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.230 1.112 7.067 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.102 0.533 6.549 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.114 0.162 4.378 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.038 -0.099 7.190 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.059 -0.463 5.015 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.028 -0.592 6.408 1.00 0.00 C ATOM 0 H TRP A 4 -16.608 4.019 4.203 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.190 2.982 3.070 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.960 1.838 3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.654 0.921 2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.938 2.114 6.155 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.466 1.167 8.058 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.130 0.253 3.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.011 -0.196 8.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.244 -0.859 4.427 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.191 -1.090 6.875 1.00 0.00 H new ATOM 69 N LYS A 5 -14.643 3.720 0.708 1.00 0.00 N ATOM 70 CA LYS A 5 -14.836 3.942 -0.712 1.00 0.00 C ATOM 71 C LYS A 5 -14.525 2.681 -1.500 1.00 0.00 C ATOM 72 O LYS A 5 -13.462 2.080 -1.335 1.00 0.00 O ATOM 73 CB LYS A 5 -13.958 5.092 -1.211 1.00 0.00 C ATOM 74 CG LYS A 5 -14.139 5.380 -2.694 1.00 0.00 C ATOM 75 CD LYS A 5 -13.170 6.437 -3.195 1.00 0.00 C ATOM 76 CE LYS A 5 -13.367 6.703 -4.679 1.00 0.00 C ATOM 77 NZ LYS A 5 -13.131 5.482 -5.500 1.00 0.00 N ATOM 0 H LYS A 5 -13.739 4.027 1.066 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.882 4.208 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.190 5.992 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.912 4.853 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.996 4.460 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.161 5.711 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.314 7.361 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.146 6.111 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.380 7.066 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.687 7.493 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.057 5.747 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.247 5.025 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.924 4.820 -5.374 1.00 0.00 H new ATOM 91 N ASP A 6 -15.465 2.284 -2.345 1.00 0.00 N ATOM 92 CA ASP A 6 -15.256 1.167 -3.253 1.00 0.00 C ATOM 93 C ASP A 6 -14.202 1.539 -4.284 1.00 0.00 C ATOM 94 O ASP A 6 -14.295 2.587 -4.932 1.00 0.00 O ATOM 95 CB ASP A 6 -16.556 0.790 -3.970 1.00 0.00 C ATOM 96 CG ASP A 6 -17.683 0.455 -3.017 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.812 -0.721 -2.625 1.00 0.00 O ATOM 98 OD2 ASP A 6 -18.455 1.369 -2.656 1.00 0.00 O ATOM 0 H ASP A 6 -16.383 2.721 -2.420 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.921 0.310 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.863 1.616 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.371 -0.065 -4.620 1.00 0.00 H new ATOM 103 N ILE A 7 -13.188 0.706 -4.414 1.00 0.00 N ATOM 104 CA ILE A 7 -12.142 0.940 -5.395 1.00 0.00 C ATOM 105 C ILE A 7 -12.381 0.083 -6.625 1.00 0.00 C ATOM 106 O ILE A 7 -12.699 0.591 -7.702 1.00 0.00 O ATOM 107 CB ILE A 7 -10.743 0.624 -4.822 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.504 1.410 -3.530 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.660 0.935 -5.847 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.625 2.910 -3.695 1.00 0.00 C ATOM 0 H ILE A 7 -13.065 -0.138 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.174 1.996 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.698 -0.440 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.218 1.078 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.509 1.175 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.682 0.706 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.820 0.331 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.702 1.992 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.442 3.397 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.892 3.256 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.628 3.158 -4.043 1.00 0.00 H new ATOM 122 N CYS A 8 -12.248 -1.218 -6.438 1.00 0.00 N ATOM 123 CA CYS A 8 -12.437 -2.186 -7.501 1.00 0.00 C ATOM 124 C CYS A 8 -12.535 -3.572 -6.888 1.00 0.00 C ATOM 125 O CYS A 8 -12.350 -3.729 -5.680 1.00 0.00 O ATOM 126 CB CYS A 8 -11.268 -2.129 -8.488 1.00 0.00 C ATOM 127 SG CYS A 8 -9.651 -2.396 -7.724 1.00 0.00 S ATOM 0 H CYS A 8 -12.004 -1.634 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.353 -1.956 -8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.422 -2.881 -9.262 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.270 -1.158 -8.982 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.725 -2.332 -8.634 1.00 0.00 H new ATOM 133 N LYS A 9 -12.829 -4.575 -7.695 1.00 0.00 N ATOM 134 CA LYS A 9 -12.853 -5.938 -7.197 1.00 0.00 C ATOM 135 C LYS A 9 -11.435 -6.477 -7.080 1.00 0.00 C ATOM 136 O LYS A 9 -10.576 -6.176 -7.909 1.00 0.00 O ATOM 137 CB LYS A 9 -13.708 -6.832 -8.095 1.00 0.00 C ATOM 138 CG LYS A 9 -15.199 -6.577 -7.942 1.00 0.00 C ATOM 139 CD LYS A 9 -16.022 -7.524 -8.798 1.00 0.00 C ATOM 140 CE LYS A 9 -17.503 -7.445 -8.456 1.00 0.00 C ATOM 141 NZ LYS A 9 -18.087 -6.110 -8.758 1.00 0.00 N ATOM 0 H LYS A 9 -13.052 -4.474 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.305 -5.938 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.423 -6.672 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.498 -7.876 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.482 -6.693 -6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.423 -5.547 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.878 -7.282 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.669 -8.545 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.043 -8.209 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.641 -7.667 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.096 -6.108 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.592 -5.381 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.982 -5.906 -9.772 1.00 0.00 H new ATOM 155 N ILE A 10 -11.199 -7.280 -6.048 1.00 0.00 N ATOM 156 CA ILE A 10 -9.861 -7.780 -5.741 1.00 0.00 C ATOM 157 C ILE A 10 -9.321 -8.669 -6.867 1.00 0.00 C ATOM 158 O ILE A 10 -8.130 -8.967 -6.925 1.00 0.00 O ATOM 159 CB ILE A 10 -9.858 -8.551 -4.399 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.426 -8.838 -3.938 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.654 -9.845 -4.521 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.347 -9.460 -2.563 1.00 0.00 C ATOM 0 H ILE A 10 -11.922 -7.601 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.202 -6.917 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.336 -7.924 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.948 -9.504 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.859 -7.907 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.640 -10.372 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.684 -9.614 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.208 -10.475 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.303 -9.635 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.795 -8.786 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.886 -10.408 -2.561 1.00 0.00 H new ATOM 174 N ASP A 11 -10.208 -9.067 -7.771 1.00 0.00 N ATOM 175 CA ASP A 11 -9.830 -9.873 -8.930 1.00 0.00 C ATOM 176 C ASP A 11 -8.928 -9.068 -9.867 1.00 0.00 C ATOM 177 O ASP A 11 -8.071 -9.623 -10.556 1.00 0.00 O ATOM 178 CB ASP A 11 -11.090 -10.327 -9.676 1.00 0.00 C ATOM 179 CG ASP A 11 -10.804 -11.339 -10.772 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.509 -10.927 -11.913 1.00 0.00 O ATOM 181 OD2 ASP A 11 -10.900 -12.554 -10.500 1.00 0.00 O ATOM 0 H ASP A 11 -11.202 -8.844 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.280 -10.749 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.790 -10.762 -8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.579 -9.456 -10.113 1.00 0.00 H new ATOM 186 N ASP A 12 -9.117 -7.750 -9.861 1.00 0.00 N ATOM 187 CA ASP A 12 -8.359 -6.851 -10.729 1.00 0.00 C ATOM 188 C ASP A 12 -6.913 -6.737 -10.254 1.00 0.00 C ATOM 189 O ASP A 12 -5.992 -6.541 -11.052 1.00 0.00 O ATOM 190 CB ASP A 12 -9.016 -5.466 -10.751 1.00 0.00 C ATOM 191 CG ASP A 12 -8.395 -4.533 -11.772 1.00 0.00 C ATOM 192 OD1 ASP A 12 -8.764 -4.626 -12.961 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.551 -3.690 -11.394 1.00 0.00 O ATOM 0 H ASP A 12 -9.793 -7.278 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.359 -7.262 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.079 -5.577 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.937 -5.017 -9.761 1.00 0.00 H new ATOM 198 N ILE A 13 -6.721 -6.875 -8.949 1.00 0.00 N ATOM 199 CA ILE A 13 -5.395 -6.801 -8.355 1.00 0.00 C ATOM 200 C ILE A 13 -4.767 -8.186 -8.304 1.00 0.00 C ATOM 201 O ILE A 13 -5.177 -9.038 -7.517 1.00 0.00 O ATOM 202 CB ILE A 13 -5.442 -6.207 -6.931 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.223 -4.890 -6.931 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.030 -5.985 -6.405 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.415 -4.294 -5.551 1.00 0.00 C ATOM 0 H ILE A 13 -7.472 -7.040 -8.279 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.791 -6.143 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.951 -6.913 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.701 -4.168 -7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.200 -5.058 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.078 -5.566 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.499 -6.936 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.502 -5.294 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.976 -3.363 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.965 -4.996 -4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.442 -4.093 -5.103 1.00 0.00 H new ATOM 217 N LEU A 14 -3.778 -8.397 -9.160 1.00 0.00 N ATOM 218 CA LEU A 14 -3.097 -9.683 -9.268 1.00 0.00 C ATOM 219 C LEU A 14 -2.394 -10.047 -7.956 1.00 0.00 C ATOM 220 O LEU A 14 -2.119 -9.171 -7.132 1.00 0.00 O ATOM 221 CB LEU A 14 -2.077 -9.624 -10.409 1.00 0.00 C ATOM 222 CG LEU A 14 -2.643 -9.212 -11.770 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.521 -9.059 -12.784 1.00 0.00 C ATOM 224 CD2 LEU A 14 -3.668 -10.228 -12.254 1.00 0.00 C ATOM 0 H LEU A 14 -3.424 -7.685 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.840 -10.453 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.289 -8.923 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.611 -10.604 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.143 -8.250 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.939 -8.766 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.824 -8.294 -12.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.995 -10.008 -12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.059 -9.917 -13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.195 -11.205 -12.350 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.486 -10.290 -11.536 1.00 0.00 H new ATOM 236 N PRO A 15 -2.107 -11.345 -7.745 1.00 0.00 N ATOM 237 CA PRO A 15 -1.385 -11.825 -6.559 1.00 0.00 C ATOM 238 C PRO A 15 -0.087 -11.060 -6.323 1.00 0.00 C ATOM 239 O PRO A 15 0.696 -10.856 -7.252 1.00 0.00 O ATOM 240 CB PRO A 15 -1.093 -13.289 -6.890 1.00 0.00 C ATOM 241 CG PRO A 15 -2.177 -13.679 -7.830 1.00 0.00 C ATOM 242 CD PRO A 15 -2.469 -12.453 -8.648 1.00 0.00 C ATOM 0 HA PRO A 15 -1.964 -11.689 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.110 -13.405 -7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.103 -13.909 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.865 -14.508 -8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.064 -14.009 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.880 -12.432 -9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.518 -12.406 -8.941 1.00 0.00 H new ATOM 250 N GLU A 16 0.123 -10.670 -5.065 1.00 0.00 N ATOM 251 CA GLU A 16 1.223 -9.793 -4.653 1.00 0.00 C ATOM 252 C GLU A 16 1.530 -8.701 -5.685 1.00 0.00 C ATOM 253 O GLU A 16 2.574 -8.705 -6.340 1.00 0.00 O ATOM 254 CB GLU A 16 2.489 -10.562 -4.223 1.00 0.00 C ATOM 255 CG GLU A 16 2.911 -11.723 -5.113 1.00 0.00 C ATOM 256 CD GLU A 16 2.140 -13.003 -4.854 1.00 0.00 C ATOM 257 OE1 GLU A 16 1.536 -13.138 -3.769 1.00 0.00 O ATOM 258 OE2 GLU A 16 2.162 -13.901 -5.728 1.00 0.00 O ATOM 0 H GLU A 16 -0.475 -10.958 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 16 0.865 -9.283 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.317 -9.855 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.330 -10.945 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.780 -11.435 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.974 -11.914 -4.966 1.00 0.00 H new ATOM 265 N THR A 17 0.589 -7.764 -5.812 1.00 0.00 N ATOM 266 CA THR A 17 0.726 -6.622 -6.711 1.00 0.00 C ATOM 267 C THR A 17 0.171 -5.364 -6.033 1.00 0.00 C ATOM 268 O THR A 17 -0.643 -5.460 -5.111 1.00 0.00 O ATOM 269 CB THR A 17 -0.041 -6.847 -8.035 1.00 0.00 C ATOM 270 OG1 THR A 17 0.094 -8.205 -8.462 1.00 0.00 O ATOM 271 CG2 THR A 17 0.472 -5.927 -9.134 1.00 0.00 C ATOM 0 H THR A 17 -0.289 -7.777 -5.293 1.00 0.00 H new ATOM 0 HA THR A 17 1.786 -6.503 -6.936 1.00 0.00 H new ATOM 0 HB THR A 17 -1.091 -6.621 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.658 -8.242 -9.263 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.087 -6.109 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.341 -4.889 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.530 -6.123 -9.309 1.00 0.00 H new ATOM 279 N GLY A 18 0.606 -4.193 -6.486 1.00 0.00 N ATOM 280 CA GLY A 18 0.111 -2.951 -5.925 1.00 0.00 C ATOM 281 C GLY A 18 -0.450 -2.026 -6.986 1.00 0.00 C ATOM 282 O GLY A 18 0.098 -1.932 -8.085 1.00 0.00 O ATOM 0 H GLY A 18 1.293 -4.083 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.664 -3.170 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.919 -2.446 -5.396 1.00 0.00 H new ATOM 286 N VAL A 19 -1.547 -1.352 -6.665 1.00 0.00 N ATOM 287 CA VAL A 19 -2.181 -0.416 -7.590 1.00 0.00 C ATOM 288 C VAL A 19 -2.501 0.901 -6.886 1.00 0.00 C ATOM 289 O VAL A 19 -2.619 0.943 -5.664 1.00 0.00 O ATOM 290 CB VAL A 19 -3.481 -0.992 -8.199 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.182 -2.208 -9.062 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.483 -1.344 -7.107 1.00 0.00 C ATOM 0 H VAL A 19 -2.020 -1.436 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.470 -0.242 -8.398 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.924 -0.224 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.111 -2.595 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.511 -1.923 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.709 -2.978 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.389 -1.747 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.048 -2.089 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.730 -0.448 -6.537 1.00 0.00 H new ATOM 302 N CYS A 20 -2.645 1.971 -7.654 1.00 0.00 N ATOM 303 CA CYS A 20 -2.929 3.280 -7.083 1.00 0.00 C ATOM 304 C CYS A 20 -4.417 3.597 -7.169 1.00 0.00 C ATOM 305 O CYS A 20 -5.040 3.442 -8.220 1.00 0.00 O ATOM 306 CB CYS A 20 -2.120 4.369 -7.796 1.00 0.00 C ATOM 307 SG CYS A 20 -2.409 6.042 -7.163 1.00 0.00 S ATOM 0 H CYS A 20 -2.570 1.959 -8.671 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.638 3.257 -6.033 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.059 4.136 -7.705 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.361 4.348 -8.859 1.00 0.00 H new ATOM 0 HG CYS A 20 -3.527 6.068 -6.500 1.00 0.00 H new ATOM 313 N ALA A 21 -4.977 4.029 -6.052 1.00 0.00 N ATOM 314 CA ALA A 21 -6.365 4.451 -5.995 1.00 0.00 C ATOM 315 C ALA A 21 -6.446 5.899 -5.535 1.00 0.00 C ATOM 316 O ALA A 21 -5.426 6.504 -5.192 1.00 0.00 O ATOM 317 CB ALA A 21 -7.154 3.550 -5.060 1.00 0.00 C ATOM 0 H ALA A 21 -4.484 4.097 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.800 4.374 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.193 3.879 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.110 2.523 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.726 3.601 -4.059 1.00 0.00 H new ATOM 323 N LEU A 22 -7.649 6.451 -5.524 1.00 0.00 N ATOM 324 CA LEU A 22 -7.846 7.832 -5.116 1.00 0.00 C ATOM 325 C LEU A 22 -8.869 7.928 -3.995 1.00 0.00 C ATOM 326 O LEU A 22 -10.031 7.555 -4.167 1.00 0.00 O ATOM 327 CB LEU A 22 -8.301 8.691 -6.300 1.00 0.00 C ATOM 328 CG LEU A 22 -7.276 8.861 -7.422 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.865 9.686 -8.554 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.009 9.516 -6.896 1.00 0.00 C ATOM 0 H LEU A 22 -8.504 5.963 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.889 8.206 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.204 8.250 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.573 9.678 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.019 7.873 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.124 9.799 -9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.746 9.182 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.148 10.670 -8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.292 9.628 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.250 10.497 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.575 8.893 -6.114 1.00 0.00 H new ATOM 342 N LEU A 23 -8.427 8.410 -2.844 1.00 0.00 N ATOM 343 CA LEU A 23 -9.322 8.701 -1.737 1.00 0.00 C ATOM 344 C LEU A 23 -9.438 10.211 -1.589 1.00 0.00 C ATOM 345 O LEU A 23 -8.685 10.835 -0.839 1.00 0.00 O ATOM 346 CB LEU A 23 -8.808 8.071 -0.438 1.00 0.00 C ATOM 347 CG LEU A 23 -9.716 8.254 0.782 1.00 0.00 C ATOM 348 CD1 LEU A 23 -11.047 7.553 0.570 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.035 7.730 2.034 1.00 0.00 C ATOM 0 H LEU A 23 -7.445 8.609 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.304 8.274 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.661 7.004 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.830 8.495 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.906 9.320 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.677 7.695 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.544 7.972 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.876 6.488 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.694 7.868 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.815 6.669 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.106 8.276 2.199 1.00 0.00 H new ATOM 361 N GLY A 24 -10.359 10.798 -2.339 1.00 0.00 N ATOM 362 CA GLY A 24 -10.451 12.240 -2.399 1.00 0.00 C ATOM 363 C GLY A 24 -9.319 12.825 -3.215 1.00 0.00 C ATOM 364 O GLY A 24 -9.330 12.758 -4.444 1.00 0.00 O ATOM 0 H GLY A 24 -11.044 10.300 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.406 12.529 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.426 12.651 -1.390 1.00 0.00 H new ATOM 368 N ASP A 25 -8.332 13.381 -2.532 1.00 0.00 N ATOM 369 CA ASP A 25 -7.139 13.892 -3.196 1.00 0.00 C ATOM 370 C ASP A 25 -5.922 13.081 -2.784 1.00 0.00 C ATOM 371 O ASP A 25 -4.793 13.385 -3.171 1.00 0.00 O ATOM 372 CB ASP A 25 -6.915 15.367 -2.863 1.00 0.00 C ATOM 373 CG ASP A 25 -7.985 16.262 -3.446 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.878 16.631 -4.635 1.00 0.00 O ATOM 375 OD2 ASP A 25 -8.941 16.609 -2.717 1.00 0.00 O ATOM 0 H ASP A 25 -8.331 13.491 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.286 13.800 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.892 15.492 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.941 15.677 -3.241 1.00 0.00 H new ATOM 380 N GLU A 26 -6.161 12.040 -2.000 1.00 0.00 N ATOM 381 CA GLU A 26 -5.086 11.191 -1.514 1.00 0.00 C ATOM 382 C GLU A 26 -4.837 10.036 -2.475 1.00 0.00 C ATOM 383 O GLU A 26 -5.725 9.213 -2.715 1.00 0.00 O ATOM 384 CB GLU A 26 -5.424 10.642 -0.126 1.00 0.00 C ATOM 385 CG GLU A 26 -5.642 11.716 0.926 1.00 0.00 C ATOM 386 CD GLU A 26 -4.423 12.591 1.129 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.502 12.176 1.862 1.00 0.00 O ATOM 388 OE2 GLU A 26 -4.384 13.705 0.559 1.00 0.00 O ATOM 0 H GLU A 26 -7.092 11.764 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.182 11.796 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.323 10.030 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.617 9.986 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.487 12.339 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.907 11.244 1.872 1.00 0.00 H new ATOM 395 N GLN A 27 -3.639 9.991 -3.041 1.00 0.00 N ATOM 396 CA GLN A 27 -3.233 8.868 -3.870 1.00 0.00 C ATOM 397 C GLN A 27 -2.800 7.712 -2.986 1.00 0.00 C ATOM 398 O GLN A 27 -1.717 7.729 -2.399 1.00 0.00 O ATOM 399 CB GLN A 27 -2.111 9.271 -4.829 1.00 0.00 C ATOM 400 CG GLN A 27 -2.594 10.132 -5.983 1.00 0.00 C ATOM 401 CD GLN A 27 -1.480 10.552 -6.917 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.880 11.611 -6.748 1.00 0.00 O ATOM 403 NE2 GLN A 27 -1.193 9.726 -7.910 1.00 0.00 N ATOM 0 H GLN A 27 -2.932 10.720 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.083 8.552 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.345 9.813 -4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.641 8.372 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.346 9.582 -6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.082 11.022 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.714 8.856 -8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.450 9.959 -8.569 1.00 0.00 H new ATOM 412 N VAL A 28 -3.666 6.722 -2.879 1.00 0.00 N ATOM 413 CA VAL A 28 -3.434 5.593 -1.999 1.00 0.00 C ATOM 414 C VAL A 28 -2.892 4.408 -2.784 1.00 0.00 C ATOM 415 O VAL A 28 -3.382 4.098 -3.869 1.00 0.00 O ATOM 416 CB VAL A 28 -4.732 5.175 -1.276 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.465 4.060 -0.277 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.373 6.369 -0.589 1.00 0.00 C ATOM 0 H VAL A 28 -4.544 6.678 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.700 5.902 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.427 4.797 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.396 3.785 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.061 3.193 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.746 4.403 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.286 6.052 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.680 6.783 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.613 7.130 -1.331 1.00 0.00 H new ATOM 428 N ALA A 29 -1.877 3.764 -2.239 1.00 0.00 N ATOM 429 CA ALA A 29 -1.304 2.584 -2.853 1.00 0.00 C ATOM 430 C ALA A 29 -1.892 1.332 -2.221 1.00 0.00 C ATOM 431 O ALA A 29 -1.633 1.035 -1.052 1.00 0.00 O ATOM 432 CB ALA A 29 0.210 2.596 -2.715 1.00 0.00 C ATOM 0 H ALA A 29 -1.430 4.042 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.548 2.585 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.625 1.703 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.613 3.482 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.479 2.612 -1.659 1.00 0.00 H new ATOM 438 N ILE A 30 -2.702 0.623 -2.987 1.00 0.00 N ATOM 439 CA ILE A 30 -3.331 -0.596 -2.514 1.00 0.00 C ATOM 440 C ILE A 30 -2.465 -1.788 -2.865 1.00 0.00 C ATOM 441 O ILE A 30 -2.346 -2.160 -4.035 1.00 0.00 O ATOM 442 CB ILE A 30 -4.730 -0.805 -3.126 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.616 0.414 -2.874 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.376 -2.061 -2.551 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.987 0.298 -3.499 1.00 0.00 C ATOM 0 H ILE A 30 -2.941 0.874 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.441 -0.503 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.620 -0.931 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.726 0.558 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.120 1.302 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.364 -2.197 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.755 -2.927 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.472 -1.958 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.563 1.197 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.886 0.184 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.502 -0.571 -3.089 1.00 0.00 H new ATOM 457 N PHE A 31 -1.853 -2.373 -1.858 1.00 0.00 N ATOM 458 CA PHE A 31 -0.993 -3.516 -2.063 1.00 0.00 C ATOM 459 C PHE A 31 -1.678 -4.789 -1.603 1.00 0.00 C ATOM 460 O PHE A 31 -2.033 -4.928 -0.431 1.00 0.00 O ATOM 461 CB PHE A 31 0.331 -3.349 -1.312 1.00 0.00 C ATOM 462 CG PHE A 31 1.193 -2.237 -1.834 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.921 -2.399 -3.002 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.281 -1.033 -1.156 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.718 -1.380 -3.483 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.079 -0.012 -1.632 1.00 0.00 C ATOM 467 CZ PHE A 31 2.797 -0.185 -2.797 1.00 0.00 C ATOM 0 H PHE A 31 -1.936 -2.074 -0.886 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.785 -3.586 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.119 -3.166 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.889 -4.284 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.864 -3.333 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.719 -0.891 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.279 -1.518 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.141 0.922 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.420 0.614 -3.172 1.00 0.00 H new ATOM 477 N ARG A 32 -1.879 -5.702 -2.536 1.00 0.00 N ATOM 478 CA ARG A 32 -2.299 -7.046 -2.197 1.00 0.00 C ATOM 479 C ARG A 32 -1.050 -7.900 -2.182 1.00 0.00 C ATOM 480 O ARG A 32 -0.565 -8.295 -3.228 1.00 0.00 O ATOM 481 CB ARG A 32 -3.296 -7.571 -3.241 1.00 0.00 C ATOM 482 CG ARG A 32 -3.781 -8.996 -2.994 1.00 0.00 C ATOM 483 CD ARG A 32 -4.639 -9.493 -4.151 1.00 0.00 C ATOM 484 NE ARG A 32 -5.188 -10.832 -3.911 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.924 -11.509 -4.801 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.178 -10.995 -5.998 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.401 -12.709 -4.499 1.00 0.00 N ATOM 0 H ARG A 32 -1.758 -5.535 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.799 -7.069 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.160 -6.906 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.830 -7.525 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.924 -9.657 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.356 -9.032 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.458 -8.793 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.041 -9.507 -5.062 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.997 -11.274 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.811 -10.076 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.740 -11.519 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.208 -13.120 -3.586 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.961 -13.221 -5.180 1.00 0.00 H new ATOM 501 N PRO A 33 -0.503 -8.176 -0.996 1.00 0.00 N ATOM 502 CA PRO A 33 0.789 -8.837 -0.856 1.00 0.00 C ATOM 503 C PRO A 33 0.688 -10.356 -0.782 1.00 0.00 C ATOM 504 O PRO A 33 1.679 -11.042 -0.536 1.00 0.00 O ATOM 505 CB PRO A 33 1.291 -8.268 0.465 1.00 0.00 C ATOM 506 CG PRO A 33 0.056 -8.080 1.285 1.00 0.00 C ATOM 507 CD PRO A 33 -1.073 -7.817 0.316 1.00 0.00 C ATOM 0 HA PRO A 33 1.440 -8.660 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.990 -8.949 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.816 -7.325 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.148 -8.966 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.174 -7.246 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.950 -8.421 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.388 -6.774 0.343 1.00 0.00 H new ATOM 515 N TYR A 34 -0.509 -10.871 -0.997 1.00 0.00 N ATOM 516 CA TYR A 34 -0.741 -12.303 -0.931 1.00 0.00 C ATOM 517 C TYR A 34 -1.698 -12.742 -2.025 1.00 0.00 C ATOM 518 O TYR A 34 -2.019 -11.979 -2.938 1.00 0.00 O ATOM 519 CB TYR A 34 -1.337 -12.697 0.426 1.00 0.00 C ATOM 520 CG TYR A 34 -0.381 -12.632 1.596 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.598 -13.603 1.771 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.473 -11.617 2.538 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.457 -13.563 2.850 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.386 -11.569 3.619 1.00 0.00 C ATOM 525 CZ TYR A 34 1.349 -12.544 3.770 1.00 0.00 C ATOM 526 OH TYR A 34 2.205 -12.501 4.845 1.00 0.00 O ATOM 0 H TYR A 34 -1.337 -10.318 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 34 0.222 -12.796 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.185 -12.045 0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.726 -13.712 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.688 -14.402 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.228 -10.853 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.210 -14.327 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.304 -10.771 4.342 1.00 0.00 H new ATOM 0 HH TYR A 34 1.997 -11.719 5.398 1.00 0.00 H new ATOM 536 N HIS A 35 -2.156 -13.980 -1.914 1.00 0.00 N ATOM 537 CA HIS A 35 -3.153 -14.527 -2.819 1.00 0.00 C ATOM 538 C HIS A 35 -4.516 -14.499 -2.151 1.00 0.00 C ATOM 539 O HIS A 35 -5.550 -14.620 -2.804 1.00 0.00 O ATOM 540 CB HIS A 35 -2.796 -15.964 -3.212 1.00 0.00 C ATOM 541 CG HIS A 35 -1.586 -16.066 -4.085 1.00 0.00 C ATOM 542 ND1 HIS A 35 -1.578 -16.759 -5.269 1.00 0.00 N ATOM 543 CD2 HIS A 35 -0.345 -15.549 -3.947 1.00 0.00 C ATOM 544 CE1 HIS A 35 -0.387 -16.662 -5.825 1.00 0.00 C ATOM 545 NE2 HIS A 35 0.383 -15.929 -5.043 1.00 0.00 N ATOM 0 H HIS A 35 -1.846 -14.633 -1.194 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.177 -13.918 -3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.630 -16.548 -2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.645 -16.411 -3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.008 -14.946 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.091 -17.108 -6.763 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.357 -15.686 -5.224 1.00 0.00 H new ATOM 554 N SER A 36 -4.503 -14.323 -0.842 1.00 0.00 N ATOM 555 CA SER A 36 -5.721 -14.306 -0.057 1.00 0.00 C ATOM 556 C SER A 36 -6.373 -12.920 -0.084 1.00 0.00 C ATOM 557 O SER A 36 -6.029 -12.071 -0.912 1.00 0.00 O ATOM 558 CB SER A 36 -5.392 -14.716 1.380 1.00 0.00 C ATOM 559 OG SER A 36 -4.567 -15.871 1.397 1.00 0.00 O ATOM 0 H SER A 36 -3.652 -14.189 -0.297 1.00 0.00 H new ATOM 0 HA SER A 36 -6.432 -15.012 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.888 -13.896 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.314 -14.914 1.927 1.00 0.00 H new ATOM 0 HG SER A 36 -4.366 -16.116 2.324 1.00 0.00 H new ATOM 565 N ASP A 37 -7.304 -12.702 0.836 1.00 0.00 N ATOM 566 CA ASP A 37 -8.064 -11.455 0.924 1.00 0.00 C ATOM 567 C ASP A 37 -7.307 -10.390 1.716 1.00 0.00 C ATOM 568 O ASP A 37 -7.854 -9.335 2.043 1.00 0.00 O ATOM 569 CB ASP A 37 -9.406 -11.731 1.601 1.00 0.00 C ATOM 570 CG ASP A 37 -9.232 -12.373 2.965 1.00 0.00 C ATOM 571 OD1 ASP A 37 -8.838 -13.560 3.018 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.470 -11.695 3.990 1.00 0.00 O ATOM 0 H ASP A 37 -7.557 -13.387 1.548 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.217 -11.078 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.957 -10.797 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.005 -12.384 0.966 1.00 0.00 H new ATOM 577 N GLN A 38 -6.051 -10.665 2.015 1.00 0.00 N ATOM 578 CA GLN A 38 -5.237 -9.753 2.802 1.00 0.00 C ATOM 579 C GLN A 38 -4.661 -8.652 1.921 1.00 0.00 C ATOM 580 O GLN A 38 -3.831 -8.910 1.049 1.00 0.00 O ATOM 581 CB GLN A 38 -4.116 -10.521 3.502 1.00 0.00 C ATOM 582 CG GLN A 38 -4.630 -11.623 4.410 1.00 0.00 C ATOM 583 CD GLN A 38 -3.521 -12.453 5.019 1.00 0.00 C ATOM 584 OE1 GLN A 38 -2.423 -11.960 5.270 1.00 0.00 O ATOM 585 NE2 GLN A 38 -3.800 -13.728 5.243 1.00 0.00 N ATOM 0 H GLN A 38 -5.569 -11.516 1.724 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.868 -9.287 3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.456 -10.955 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.517 -9.824 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.225 -11.180 5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.294 -12.275 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.725 -14.095 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.090 -14.344 5.639 1.00 0.00 H new ATOM 594 N VAL A 39 -5.129 -7.431 2.139 1.00 0.00 N ATOM 595 CA VAL A 39 -4.655 -6.272 1.396 1.00 0.00 C ATOM 596 C VAL A 39 -4.334 -5.130 2.352 1.00 0.00 C ATOM 597 O VAL A 39 -4.933 -5.022 3.422 1.00 0.00 O ATOM 598 CB VAL A 39 -5.693 -5.785 0.355 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.879 -6.813 -0.750 1.00 0.00 C ATOM 600 CG2 VAL A 39 -7.029 -5.475 1.018 1.00 0.00 C ATOM 0 H VAL A 39 -5.845 -7.216 2.833 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.755 -6.579 0.863 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.309 -4.867 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.613 -6.447 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.928 -6.979 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.230 -7.751 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.739 -5.135 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.413 -6.374 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.892 -4.694 1.765 1.00 0.00 H new ATOM 610 N PHE A 40 -3.380 -4.292 1.973 1.00 0.00 N ATOM 611 CA PHE A 40 -2.989 -3.155 2.794 1.00 0.00 C ATOM 612 C PHE A 40 -2.916 -1.894 1.945 1.00 0.00 C ATOM 613 O PHE A 40 -2.686 -1.966 0.738 1.00 0.00 O ATOM 614 CB PHE A 40 -1.640 -3.420 3.466 1.00 0.00 C ATOM 615 CG PHE A 40 -1.651 -4.602 4.397 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.155 -4.486 5.683 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.160 -5.831 3.984 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.170 -5.572 6.537 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.171 -6.920 4.834 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.678 -6.790 6.112 1.00 0.00 C ATOM 0 H PHE A 40 -2.861 -4.379 1.099 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.741 -3.012 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.886 -3.582 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.341 -2.532 4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.540 -3.536 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.764 -5.938 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.566 -5.468 7.536 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.784 -7.871 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.690 -7.640 6.778 1.00 0.00 H new ATOM 630 N ALA A 41 -3.115 -0.743 2.571 1.00 0.00 N ATOM 631 CA ALA A 41 -3.121 0.519 1.849 1.00 0.00 C ATOM 632 C ALA A 41 -2.274 1.567 2.553 1.00 0.00 C ATOM 633 O ALA A 41 -2.464 1.844 3.739 1.00 0.00 O ATOM 634 CB ALA A 41 -4.543 1.027 1.682 1.00 0.00 C ATOM 0 H ALA A 41 -3.274 -0.658 3.575 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.687 0.339 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.530 1.972 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.127 0.296 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.993 1.178 2.663 1.00 0.00 H new ATOM 640 N ILE A 42 -1.339 2.142 1.819 1.00 0.00 N ATOM 641 CA ILE A 42 -0.512 3.224 2.334 1.00 0.00 C ATOM 642 C ILE A 42 -0.482 4.369 1.332 1.00 0.00 C ATOM 643 O ILE A 42 -1.156 4.313 0.305 1.00 0.00 O ATOM 644 CB ILE A 42 0.937 2.768 2.627 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.568 2.137 1.380 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.965 1.797 3.799 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.020 1.749 1.562 1.00 0.00 C ATOM 0 H ILE A 42 -1.130 1.877 0.856 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.956 3.550 3.274 1.00 0.00 H new ATOM 0 HB ILE A 42 1.526 3.645 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.996 1.251 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.490 2.839 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.992 1.487 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.562 2.286 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.361 0.922 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.398 1.310 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.605 2.635 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.104 1.023 2.370 1.00 0.00 H new ATOM 659 N SER A 43 0.279 5.408 1.634 1.00 0.00 N ATOM 660 CA SER A 43 0.454 6.511 0.702 1.00 0.00 C ATOM 661 C SER A 43 1.202 6.025 -0.534 1.00 0.00 C ATOM 662 O SER A 43 2.213 5.335 -0.419 1.00 0.00 O ATOM 663 CB SER A 43 1.221 7.658 1.367 1.00 0.00 C ATOM 664 OG SER A 43 1.245 8.812 0.542 1.00 0.00 O ATOM 0 H SER A 43 0.784 5.511 2.514 1.00 0.00 H new ATOM 0 HA SER A 43 -0.527 6.881 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.757 7.902 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.242 7.340 1.580 1.00 0.00 H new ATOM 0 HG SER A 43 2.084 8.835 0.036 1.00 0.00 H new ATOM 670 N ASN A 44 0.696 6.370 -1.711 1.00 0.00 N ATOM 671 CA ASN A 44 1.325 5.956 -2.962 1.00 0.00 C ATOM 672 C ASN A 44 2.487 6.884 -3.311 1.00 0.00 C ATOM 673 O ASN A 44 3.293 6.589 -4.192 1.00 0.00 O ATOM 674 CB ASN A 44 0.280 5.911 -4.089 1.00 0.00 C ATOM 675 CG ASN A 44 0.868 5.586 -5.452 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.140 4.426 -5.775 1.00 0.00 O ATOM 677 ND2 ASN A 44 1.033 6.606 -6.276 1.00 0.00 N ATOM 0 H ASN A 44 -0.146 6.934 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 44 1.732 4.952 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.476 5.166 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.227 6.875 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.397 6.449 -7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.797 7.551 -5.972 1.00 0.00 H new ATOM 684 N ILE A 45 2.573 7.999 -2.598 1.00 0.00 N ATOM 685 CA ILE A 45 3.681 8.932 -2.758 1.00 0.00 C ATOM 686 C ILE A 45 4.367 9.147 -1.413 1.00 0.00 C ATOM 687 O ILE A 45 3.697 9.334 -0.394 1.00 0.00 O ATOM 688 CB ILE A 45 3.209 10.300 -3.303 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.421 10.121 -4.603 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.400 11.224 -3.532 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.925 11.422 -5.198 1.00 0.00 C ATOM 0 H ILE A 45 1.885 8.281 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 45 4.375 8.498 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 45 2.553 10.754 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.052 9.615 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.568 9.470 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.049 12.182 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.925 11.381 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.079 10.771 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.376 11.216 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.267 11.920 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.775 12.068 -5.420 1.00 0.00 H new ATOM 703 N ASP A 46 5.690 9.105 -1.399 1.00 0.00 N ATOM 704 CA ASP A 46 6.432 9.359 -0.168 1.00 0.00 C ATOM 705 C ASP A 46 6.815 10.836 -0.101 1.00 0.00 C ATOM 706 O ASP A 46 7.019 11.475 -1.133 1.00 0.00 O ATOM 707 CB ASP A 46 7.678 8.469 -0.064 1.00 0.00 C ATOM 708 CG ASP A 46 8.840 8.965 -0.896 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.599 9.827 -0.402 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.002 8.493 -2.039 1.00 0.00 O ATOM 0 H ASP A 46 6.269 8.900 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 46 5.791 9.112 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.987 8.409 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.421 7.458 -0.379 1.00 0.00 H new ATOM 715 N PRO A 47 6.896 11.409 1.109 1.00 0.00 N ATOM 716 CA PRO A 47 7.110 12.841 1.284 1.00 0.00 C ATOM 717 C PRO A 47 8.580 13.252 1.377 1.00 0.00 C ATOM 718 O PRO A 47 8.897 14.442 1.333 1.00 0.00 O ATOM 719 CB PRO A 47 6.395 13.108 2.605 1.00 0.00 C ATOM 720 CG PRO A 47 6.560 11.847 3.395 1.00 0.00 C ATOM 721 CD PRO A 47 6.755 10.721 2.405 1.00 0.00 C ATOM 0 HA PRO A 47 6.744 13.411 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.832 13.960 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.342 13.339 2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.416 11.922 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.683 11.665 4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.639 10.130 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.906 10.038 2.404 1.00 0.00 H new ATOM 729 N PHE A 48 9.475 12.284 1.497 1.00 0.00 N ATOM 730 CA PHE A 48 10.885 12.590 1.682 1.00 0.00 C ATOM 731 C PHE A 48 11.610 12.668 0.343 1.00 0.00 C ATOM 732 O PHE A 48 12.210 13.689 0.005 1.00 0.00 O ATOM 733 CB PHE A 48 11.547 11.542 2.582 1.00 0.00 C ATOM 734 CG PHE A 48 12.954 11.894 2.980 1.00 0.00 C ATOM 735 CD1 PHE A 48 13.189 12.750 4.044 1.00 0.00 C ATOM 736 CD2 PHE A 48 14.040 11.374 2.291 1.00 0.00 C ATOM 737 CE1 PHE A 48 14.480 13.079 4.414 1.00 0.00 C ATOM 738 CE2 PHE A 48 15.332 11.701 2.656 1.00 0.00 C ATOM 739 CZ PHE A 48 15.551 12.555 3.719 1.00 0.00 C ATOM 0 H PHE A 48 9.253 11.289 1.470 1.00 0.00 H new ATOM 0 HA PHE A 48 10.956 13.565 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.945 11.415 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.554 10.583 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.355 13.165 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.874 10.705 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.650 13.746 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 48 16.169 11.290 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 48 16.560 12.813 4.006 1.00 0.00 H new ATOM 749 N PHE A 49 11.519 11.596 -0.420 1.00 0.00 N ATOM 750 CA PHE A 49 12.259 11.467 -1.667 1.00 0.00 C ATOM 751 C PHE A 49 11.331 11.758 -2.837 1.00 0.00 C ATOM 752 O PHE A 49 11.764 12.210 -3.902 1.00 0.00 O ATOM 753 CB PHE A 49 12.828 10.048 -1.768 1.00 0.00 C ATOM 754 CG PHE A 49 13.858 9.856 -2.845 1.00 0.00 C ATOM 755 CD1 PHE A 49 15.197 10.092 -2.584 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.492 9.414 -4.106 1.00 0.00 C ATOM 757 CE1 PHE A 49 16.153 9.891 -3.559 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.443 9.218 -5.086 1.00 0.00 C ATOM 759 CZ PHE A 49 15.775 9.455 -4.812 1.00 0.00 C ATOM 0 H PHE A 49 10.933 10.791 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 49 13.083 12.180 -1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.272 9.781 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.006 9.354 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 49 15.497 10.438 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.452 9.221 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 49 17.195 10.075 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.145 8.879 -6.067 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.520 9.299 -5.578 1.00 0.00 H new ATOM 769 N GLU A 50 10.049 11.494 -2.604 1.00 0.00 N ATOM 770 CA GLU A 50 8.989 11.728 -3.572 1.00 0.00 C ATOM 771 C GLU A 50 9.056 10.746 -4.729 1.00 0.00 C ATOM 772 O GLU A 50 9.607 11.041 -5.792 1.00 0.00 O ATOM 773 CB GLU A 50 8.995 13.163 -4.101 1.00 0.00 C ATOM 774 CG GLU A 50 8.601 14.205 -3.073 1.00 0.00 C ATOM 775 CD GLU A 50 8.587 15.598 -3.658 1.00 0.00 C ATOM 776 OE1 GLU A 50 7.572 15.980 -4.278 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.594 16.316 -3.509 1.00 0.00 O ATOM 0 H GLU A 50 9.715 11.105 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 50 8.052 11.570 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.992 13.396 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.313 13.229 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.614 13.968 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.298 14.170 -2.236 1.00 0.00 H new ATOM 784 N SER A 51 8.515 9.568 -4.505 1.00 0.00 N ATOM 785 CA SER A 51 8.273 8.629 -5.575 1.00 0.00 C ATOM 786 C SER A 51 6.796 8.683 -5.920 1.00 0.00 C ATOM 787 O SER A 51 5.950 8.339 -5.095 1.00 0.00 O ATOM 788 CB SER A 51 8.685 7.217 -5.156 1.00 0.00 C ATOM 789 OG SER A 51 10.046 7.182 -4.762 1.00 0.00 O ATOM 0 H SER A 51 8.233 9.237 -3.582 1.00 0.00 H new ATOM 0 HA SER A 51 8.868 8.893 -6.449 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.055 6.880 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.524 6.526 -5.984 1.00 0.00 H new ATOM 0 HG SER A 51 10.137 7.568 -3.866 1.00 0.00 H new ATOM 795 N SER A 52 6.494 9.151 -7.126 1.00 0.00 N ATOM 796 CA SER A 52 5.124 9.438 -7.523 1.00 0.00 C ATOM 797 C SER A 52 4.228 8.211 -7.404 1.00 0.00 C ATOM 798 O SER A 52 3.053 8.322 -7.070 1.00 0.00 O ATOM 799 CB SER A 52 5.103 9.972 -8.954 1.00 0.00 C ATOM 800 OG SER A 52 6.096 10.969 -9.133 1.00 0.00 O ATOM 0 H SER A 52 7.187 9.340 -7.850 1.00 0.00 H new ATOM 0 HA SER A 52 4.730 10.194 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.271 9.154 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.120 10.387 -9.178 1.00 0.00 H new ATOM 0 HG SER A 52 6.068 11.297 -10.056 1.00 0.00 H new ATOM 806 N VAL A 53 4.780 7.051 -7.711 1.00 0.00 N ATOM 807 CA VAL A 53 4.067 5.803 -7.509 1.00 0.00 C ATOM 808 C VAL A 53 4.923 4.808 -6.731 1.00 0.00 C ATOM 809 O VAL A 53 6.038 4.482 -7.136 1.00 0.00 O ATOM 810 CB VAL A 53 3.619 5.164 -8.846 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.449 5.933 -9.442 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.771 5.110 -9.839 1.00 0.00 C ATOM 0 H VAL A 53 5.717 6.947 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 53 3.174 6.043 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 53 3.298 4.143 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.149 5.468 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.611 5.918 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.748 6.965 -9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.429 4.657 -10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.128 6.121 -10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.583 4.514 -9.422 1.00 0.00 H new ATOM 822 N LEU A 54 4.391 4.326 -5.618 1.00 0.00 N ATOM 823 CA LEU A 54 5.039 3.257 -4.870 1.00 0.00 C ATOM 824 C LEU A 54 4.509 1.914 -5.342 1.00 0.00 C ATOM 825 O LEU A 54 5.056 0.861 -5.020 1.00 0.00 O ATOM 826 CB LEU A 54 4.813 3.425 -3.366 1.00 0.00 C ATOM 827 CG LEU A 54 5.429 4.683 -2.751 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.182 4.717 -1.253 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.919 4.750 -3.048 1.00 0.00 C ATOM 0 H LEU A 54 3.515 4.656 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 54 6.113 3.303 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.740 3.435 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.220 2.553 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 54 4.951 5.554 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.627 5.618 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.109 4.718 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.633 3.839 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.339 5.652 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.413 3.874 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.074 4.772 -4.127 1.00 0.00 H new ATOM 841 N SER A 55 3.444 1.973 -6.135 1.00 0.00 N ATOM 842 CA SER A 55 2.841 0.784 -6.718 1.00 0.00 C ATOM 843 C SER A 55 3.701 0.250 -7.867 1.00 0.00 C ATOM 844 O SER A 55 3.353 -0.734 -8.520 1.00 0.00 O ATOM 845 CB SER A 55 1.429 1.111 -7.212 1.00 0.00 C ATOM 846 OG SER A 55 0.645 1.673 -6.170 1.00 0.00 O ATOM 0 H SER A 55 2.978 2.844 -6.390 1.00 0.00 H new ATOM 0 HA SER A 55 2.780 0.009 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.484 1.809 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.951 0.205 -7.584 1.00 0.00 H new ATOM 0 HG SER A 55 0.858 2.625 -6.077 1.00 0.00 H new ATOM 852 N ARG A 56 4.828 0.910 -8.107 1.00 0.00 N ATOM 853 CA ARG A 56 5.770 0.476 -9.125 1.00 0.00 C ATOM 854 C ARG A 56 6.965 -0.192 -8.447 1.00 0.00 C ATOM 855 O ARG A 56 8.112 -0.003 -8.848 1.00 0.00 O ATOM 856 CB ARG A 56 6.243 1.670 -9.965 1.00 0.00 C ATOM 857 CG ARG A 56 6.828 1.267 -11.312 1.00 0.00 C ATOM 858 CD ARG A 56 7.612 2.399 -11.963 1.00 0.00 C ATOM 859 NE ARG A 56 6.835 3.635 -12.081 1.00 0.00 N ATOM 860 CZ ARG A 56 6.529 4.214 -13.244 1.00 0.00 C ATOM 861 NH1 ARG A 56 6.820 3.616 -14.392 1.00 0.00 N ATOM 862 NH2 ARG A 56 5.904 5.384 -13.263 1.00 0.00 N ATOM 0 H ARG A 56 5.110 1.752 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 56 5.278 -0.235 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.403 2.345 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.993 2.226 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.482 0.405 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.022 0.956 -11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.511 2.595 -11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.939 2.085 -12.954 1.00 0.00 H new ATOM 0 HE ARG A 56 6.508 4.080 -11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.281 2.706 -14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.582 4.066 -15.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.656 5.844 -12.387 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.672 5.824 -14.154 1.00 0.00 H new ATOM 876 N GLY A 57 6.681 -0.980 -7.422 1.00 0.00 N ATOM 877 CA GLY A 57 7.736 -1.610 -6.657 1.00 0.00 C ATOM 878 C GLY A 57 7.446 -3.069 -6.387 1.00 0.00 C ATOM 879 O GLY A 57 6.312 -3.522 -6.548 1.00 0.00 O ATOM 0 H GLY A 57 5.736 -1.195 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.678 -1.522 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.861 -1.084 -5.711 1.00 0.00 H new ATOM 883 N LEU A 58 8.469 -3.804 -5.979 1.00 0.00 N ATOM 884 CA LEU A 58 8.339 -5.238 -5.769 1.00 0.00 C ATOM 885 C LEU A 58 8.233 -5.555 -4.284 1.00 0.00 C ATOM 886 O LEU A 58 8.912 -4.945 -3.457 1.00 0.00 O ATOM 887 CB LEU A 58 9.529 -5.999 -6.377 1.00 0.00 C ATOM 888 CG LEU A 58 9.627 -5.995 -7.912 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.291 -6.356 -8.544 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.125 -4.654 -8.434 1.00 0.00 C ATOM 0 H LEU A 58 9.399 -3.431 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 58 7.427 -5.563 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.449 -5.574 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.481 -7.034 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 58 10.356 -6.754 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.388 -6.346 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.990 -7.351 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.537 -5.630 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.183 -4.686 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.436 -3.866 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.114 -4.449 -8.024 1.00 0.00 H new ATOM 902 N ILE A 59 7.376 -6.507 -3.952 1.00 0.00 N ATOM 903 CA ILE A 59 7.190 -6.920 -2.570 1.00 0.00 C ATOM 904 C ILE A 59 8.210 -7.994 -2.200 1.00 0.00 C ATOM 905 O ILE A 59 8.334 -9.006 -2.890 1.00 0.00 O ATOM 906 CB ILE A 59 5.761 -7.458 -2.334 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.727 -6.412 -2.767 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.563 -7.835 -0.869 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.294 -6.889 -2.665 1.00 0.00 C ATOM 0 H ILE A 59 6.796 -7.010 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 59 7.337 -6.045 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 59 5.623 -8.356 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.848 -5.520 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.930 -6.119 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.550 -8.212 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.281 -8.607 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.716 -6.956 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.622 -6.094 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.155 -7.763 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.071 -7.154 -1.631 1.00 0.00 H new ATOM 921 N ALA A 60 8.947 -7.757 -1.124 1.00 0.00 N ATOM 922 CA ALA A 60 9.977 -8.681 -0.674 1.00 0.00 C ATOM 923 C ALA A 60 9.977 -8.781 0.845 1.00 0.00 C ATOM 924 O ALA A 60 9.694 -7.800 1.537 1.00 0.00 O ATOM 925 CB ALA A 60 11.338 -8.225 -1.176 1.00 0.00 C ATOM 0 H ALA A 60 8.849 -6.925 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 60 9.764 -9.669 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.104 -8.922 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.333 -8.196 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.554 -7.230 -0.788 1.00 0.00 H new ATOM 931 N GLU A 61 10.296 -9.959 1.364 1.00 0.00 N ATOM 932 CA GLU A 61 10.289 -10.172 2.804 1.00 0.00 C ATOM 933 C GLU A 61 11.592 -9.753 3.447 1.00 0.00 C ATOM 934 O GLU A 61 12.652 -9.763 2.818 1.00 0.00 O ATOM 935 CB GLU A 61 10.050 -11.635 3.169 1.00 0.00 C ATOM 936 CG GLU A 61 8.609 -12.076 3.082 1.00 0.00 C ATOM 937 CD GLU A 61 8.190 -12.423 1.666 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.946 -13.151 0.982 1.00 0.00 O ATOM 939 OE2 GLU A 61 7.114 -11.976 1.225 1.00 0.00 O ATOM 0 H GLU A 61 10.561 -10.776 0.814 1.00 0.00 H new ATOM 0 HA GLU A 61 9.471 -9.556 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.649 -12.263 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.408 -11.806 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.459 -12.944 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.966 -11.282 3.463 1.00 0.00 H new ATOM 946 N HIS A 62 11.488 -9.385 4.707 1.00 0.00 N ATOM 947 CA HIS A 62 12.639 -9.244 5.571 1.00 0.00 C ATOM 948 C HIS A 62 12.152 -9.206 7.006 1.00 0.00 C ATOM 949 O HIS A 62 11.212 -8.475 7.320 1.00 0.00 O ATOM 950 CB HIS A 62 13.459 -7.994 5.246 1.00 0.00 C ATOM 951 CG HIS A 62 14.897 -8.140 5.639 1.00 0.00 C ATOM 952 ND1 HIS A 62 15.466 -7.484 6.710 1.00 0.00 N ATOM 953 CD2 HIS A 62 15.880 -8.899 5.101 1.00 0.00 C ATOM 954 CE1 HIS A 62 16.736 -7.835 6.812 1.00 0.00 C ATOM 955 NE2 HIS A 62 17.010 -8.692 5.848 1.00 0.00 N ATOM 0 H HIS A 62 10.599 -9.175 5.161 1.00 0.00 H new ATOM 0 HA HIS A 62 13.303 -10.094 5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 62 13.396 -7.788 4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 62 13.029 -7.136 5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.790 -9.548 4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 62 17.431 -7.480 7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 62 17.917 -9.130 5.685 1.00 0.00 H new ATOM 964 N GLN A 63 12.761 -10.035 7.850 1.00 0.00 N ATOM 965 CA GLN A 63 12.384 -10.160 9.260 1.00 0.00 C ATOM 966 C GLN A 63 11.053 -10.904 9.413 1.00 0.00 C ATOM 967 O GLN A 63 10.519 -11.004 10.516 1.00 0.00 O ATOM 968 CB GLN A 63 12.294 -8.785 9.945 1.00 0.00 C ATOM 969 CG GLN A 63 13.571 -7.959 9.859 1.00 0.00 C ATOM 970 CD GLN A 63 14.750 -8.609 10.557 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.897 -8.435 10.143 1.00 0.00 O ATOM 972 NE2 GLN A 63 14.486 -9.335 11.633 1.00 0.00 N ATOM 0 H GLN A 63 13.533 -10.643 7.576 1.00 0.00 H new ATOM 0 HA GLN A 63 13.168 -10.738 9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.478 -8.220 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.039 -8.931 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.822 -7.797 8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.392 -6.978 10.299 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.522 -9.455 11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.247 -9.774 12.151 1.00 0.00 H new ATOM 981 N GLY A 64 10.523 -11.440 8.312 1.00 0.00 N ATOM 982 CA GLY A 64 9.234 -12.101 8.367 1.00 0.00 C ATOM 983 C GLY A 64 8.109 -11.131 8.088 1.00 0.00 C ATOM 984 O GLY A 64 6.935 -11.452 8.254 1.00 0.00 O ATOM 0 H GLY A 64 10.962 -11.427 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.207 -12.912 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.095 -12.550 9.350 1.00 0.00 H new ATOM 988 N GLU A 65 8.488 -9.942 7.650 1.00 0.00 N ATOM 989 CA GLU A 65 7.542 -8.879 7.359 1.00 0.00 C ATOM 990 C GLU A 65 7.567 -8.580 5.871 1.00 0.00 C ATOM 991 O GLU A 65 8.545 -8.901 5.186 1.00 0.00 O ATOM 992 CB GLU A 65 7.890 -7.614 8.151 1.00 0.00 C ATOM 993 CG GLU A 65 7.700 -7.747 9.655 1.00 0.00 C ATOM 994 CD GLU A 65 6.242 -7.876 10.058 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.450 -6.965 9.740 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.888 -8.876 10.715 1.00 0.00 O ATOM 0 H GLU A 65 9.462 -9.687 7.486 1.00 0.00 H new ATOM 0 HA GLU A 65 6.544 -9.203 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.927 -7.347 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.273 -6.791 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.248 -8.620 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.132 -6.877 10.149 1.00 0.00 H new ATOM 1003 N LEU A 66 6.509 -7.967 5.373 1.00 0.00 N ATOM 1004 CA LEU A 66 6.398 -7.690 3.953 1.00 0.00 C ATOM 1005 C LEU A 66 6.778 -6.250 3.660 1.00 0.00 C ATOM 1006 O LEU A 66 6.152 -5.315 4.164 1.00 0.00 O ATOM 1007 CB LEU A 66 4.977 -7.969 3.473 1.00 0.00 C ATOM 1008 CG LEU A 66 4.432 -9.344 3.853 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.064 -9.550 3.244 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.382 -10.443 3.406 1.00 0.00 C ATOM 0 H LEU A 66 5.715 -7.652 5.930 1.00 0.00 H new ATOM 0 HA LEU A 66 7.086 -8.344 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.314 -7.206 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.949 -7.870 2.388 1.00 0.00 H new ATOM 0 HG LEU A 66 4.344 -9.391 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.686 -10.534 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.383 -8.783 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.135 -9.482 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.974 -11.414 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.504 -10.400 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.351 -10.304 3.886 1.00 0.00 H new ATOM 1022 N TRP A 67 7.810 -6.081 2.852 1.00 0.00 N ATOM 1023 CA TRP A 67 8.293 -4.762 2.490 1.00 0.00 C ATOM 1024 C TRP A 67 8.154 -4.556 0.991 1.00 0.00 C ATOM 1025 O TRP A 67 8.507 -5.434 0.207 1.00 0.00 O ATOM 1026 CB TRP A 67 9.768 -4.606 2.880 1.00 0.00 C ATOM 1027 CG TRP A 67 10.053 -4.868 4.328 1.00 0.00 C ATOM 1028 CD1 TRP A 67 10.165 -6.086 4.934 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.279 -3.890 5.349 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.438 -5.926 6.269 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.513 -4.587 6.550 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.305 -2.493 5.366 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.768 -3.935 7.754 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.559 -1.846 6.562 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.788 -2.567 7.741 1.00 0.00 C ATOM 0 H TRP A 67 8.333 -6.849 2.431 1.00 0.00 H new ATOM 0 HA TRP A 67 7.699 -4.020 3.023 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.366 -5.287 2.275 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.092 -3.594 2.635 1.00 0.00 H new ATOM 0 HD1 TRP A 67 10.055 -7.037 4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.565 -6.681 6.943 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.130 -1.929 4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.943 -4.489 8.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.581 -0.767 6.587 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.984 -2.032 8.658 1.00 0.00 H new ATOM 1046 N VAL A 68 7.643 -3.409 0.586 1.00 0.00 N ATOM 1047 CA VAL A 68 7.606 -3.078 -0.826 1.00 0.00 C ATOM 1048 C VAL A 68 8.811 -2.210 -1.170 1.00 0.00 C ATOM 1049 O VAL A 68 9.014 -1.142 -0.587 1.00 0.00 O ATOM 1050 CB VAL A 68 6.283 -2.380 -1.240 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.030 -1.124 -0.421 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.289 -2.061 -2.729 1.00 0.00 C ATOM 0 H VAL A 68 7.252 -2.699 1.205 1.00 0.00 H new ATOM 0 HA VAL A 68 7.649 -4.009 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 68 5.467 -3.073 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.095 -0.664 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.964 -1.385 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.850 -0.421 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.353 -1.572 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.124 -1.398 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.394 -2.984 -3.299 1.00 0.00 H new ATOM 1062 N ALA A 69 9.635 -2.703 -2.079 1.00 0.00 N ATOM 1063 CA ALA A 69 10.866 -2.026 -2.440 1.00 0.00 C ATOM 1064 C ALA A 69 10.698 -1.262 -3.741 1.00 0.00 C ATOM 1065 O ALA A 69 10.339 -1.836 -4.771 1.00 0.00 O ATOM 1066 CB ALA A 69 12.007 -3.028 -2.555 1.00 0.00 C ATOM 0 H ALA A 69 9.471 -3.575 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 69 11.108 -1.311 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.924 -2.505 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.146 -3.532 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.768 -3.765 -3.322 1.00 0.00 H new ATOM 1072 N SER A 70 10.947 0.035 -3.685 1.00 0.00 N ATOM 1073 CA SER A 70 10.861 0.881 -4.861 1.00 0.00 C ATOM 1074 C SER A 70 12.186 0.858 -5.622 1.00 0.00 C ATOM 1075 O SER A 70 13.211 1.314 -5.110 1.00 0.00 O ATOM 1076 CB SER A 70 10.503 2.306 -4.445 1.00 0.00 C ATOM 1077 OG SER A 70 9.353 2.309 -3.617 1.00 0.00 O ATOM 0 H SER A 70 11.212 0.527 -2.832 1.00 0.00 H new ATOM 0 HA SER A 70 10.080 0.503 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.341 2.757 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.322 2.915 -5.331 1.00 0.00 H new ATOM 0 HG SER A 70 9.400 3.064 -2.994 1.00 0.00 H new ATOM 1083 N PRO A 71 12.176 0.327 -6.860 1.00 0.00 N ATOM 1084 CA PRO A 71 13.386 0.156 -7.680 1.00 0.00 C ATOM 1085 C PRO A 71 14.018 1.483 -8.090 1.00 0.00 C ATOM 1086 O PRO A 71 15.100 1.513 -8.679 1.00 0.00 O ATOM 1087 CB PRO A 71 12.890 -0.600 -8.921 1.00 0.00 C ATOM 1088 CG PRO A 71 11.549 -1.133 -8.550 1.00 0.00 C ATOM 1089 CD PRO A 71 10.981 -0.159 -7.563 1.00 0.00 C ATOM 0 HA PRO A 71 14.164 -0.369 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.824 0.062 -9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.573 -1.406 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.907 -1.221 -9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.631 -2.129 -8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.445 0.651 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.278 -0.638 -6.882 1.00 0.00 H new ATOM 1097 N LEU A 72 13.330 2.577 -7.785 1.00 0.00 N ATOM 1098 CA LEU A 72 13.858 3.910 -8.031 1.00 0.00 C ATOM 1099 C LEU A 72 15.129 4.121 -7.219 1.00 0.00 C ATOM 1100 O LEU A 72 16.087 4.723 -7.696 1.00 0.00 O ATOM 1101 CB LEU A 72 12.826 4.993 -7.681 1.00 0.00 C ATOM 1102 CG LEU A 72 11.599 5.071 -8.601 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.641 3.916 -8.349 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.885 6.399 -8.417 1.00 0.00 C ATOM 0 H LEU A 72 12.401 2.565 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 72 14.087 3.993 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.481 4.823 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.326 5.961 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 72 11.948 4.996 -9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.784 4.002 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.153 2.972 -8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.299 3.946 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.017 6.440 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.559 6.497 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.565 7.215 -8.662 1.00 0.00 H new ATOM 1116 N LYS A 73 15.128 3.605 -5.995 1.00 0.00 N ATOM 1117 CA LYS A 73 16.295 3.666 -5.122 1.00 0.00 C ATOM 1118 C LYS A 73 16.380 2.394 -4.275 1.00 0.00 C ATOM 1119 O LYS A 73 16.598 1.306 -4.811 1.00 0.00 O ATOM 1120 CB LYS A 73 16.249 4.919 -4.231 1.00 0.00 C ATOM 1121 CG LYS A 73 16.611 6.217 -4.945 1.00 0.00 C ATOM 1122 CD LYS A 73 18.115 6.488 -4.930 1.00 0.00 C ATOM 1123 CE LYS A 73 18.896 5.521 -5.809 1.00 0.00 C ATOM 1124 NZ LYS A 73 18.525 5.646 -7.245 1.00 0.00 N ATOM 0 H LYS A 73 14.323 3.135 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 73 17.191 3.733 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.247 5.016 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.931 4.778 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.263 6.171 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.090 7.048 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.299 7.508 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.482 6.419 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 73 19.964 5.708 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.713 4.500 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.303 5.290 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.666 5.090 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.347 6.645 -7.472 1.00 0.00 H new ATOM 1138 N LYS A 74 16.200 2.527 -2.963 1.00 0.00 N ATOM 1139 CA LYS A 74 16.205 1.375 -2.062 1.00 0.00 C ATOM 1140 C LYS A 74 15.139 1.526 -0.984 1.00 0.00 C ATOM 1141 O LYS A 74 15.244 0.936 0.091 1.00 0.00 O ATOM 1142 CB LYS A 74 17.579 1.204 -1.406 1.00 0.00 C ATOM 1143 CG LYS A 74 18.640 0.658 -2.344 1.00 0.00 C ATOM 1144 CD LYS A 74 19.985 0.526 -1.651 1.00 0.00 C ATOM 1145 CE LYS A 74 21.019 -0.111 -2.564 1.00 0.00 C ATOM 1146 NZ LYS A 74 21.180 0.639 -3.838 1.00 0.00 N ATOM 0 H LYS A 74 16.049 3.422 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 74 15.983 0.488 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.910 2.168 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.483 0.534 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.327 -0.316 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.738 1.317 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.332 1.510 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.874 -0.076 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.978 -0.157 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.725 -1.137 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.016 0.286 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.334 0.506 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.302 1.651 -3.632 1.00 0.00 H new ATOM 1160 N GLN A 75 14.106 2.299 -1.292 1.00 0.00 N ATOM 1161 CA GLN A 75 13.034 2.568 -0.339 1.00 0.00 C ATOM 1162 C GLN A 75 12.211 1.309 -0.086 1.00 0.00 C ATOM 1163 O GLN A 75 11.732 0.672 -1.027 1.00 0.00 O ATOM 1164 CB GLN A 75 12.134 3.689 -0.867 1.00 0.00 C ATOM 1165 CG GLN A 75 12.889 4.975 -1.168 1.00 0.00 C ATOM 1166 CD GLN A 75 12.018 6.055 -1.786 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.498 6.857 -2.581 1.00 0.00 O ATOM 1168 NE2 GLN A 75 10.743 6.092 -1.422 1.00 0.00 N ATOM 0 H GLN A 75 13.986 2.753 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 75 13.479 2.883 0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.635 3.348 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.355 3.896 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.326 5.355 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.715 4.753 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.382 5.407 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.123 6.806 -1.806 1.00 0.00 H new ATOM 1177 N ARG A 76 12.067 0.947 1.183 1.00 0.00 N ATOM 1178 CA ARG A 76 11.299 -0.230 1.564 1.00 0.00 C ATOM 1179 C ARG A 76 10.210 0.142 2.559 1.00 0.00 C ATOM 1180 O ARG A 76 10.490 0.623 3.660 1.00 0.00 O ATOM 1181 CB ARG A 76 12.204 -1.306 2.170 1.00 0.00 C ATOM 1182 CG ARG A 76 13.305 -1.778 1.237 1.00 0.00 C ATOM 1183 CD ARG A 76 14.057 -2.966 1.814 1.00 0.00 C ATOM 1184 NE ARG A 76 13.240 -4.183 1.838 1.00 0.00 N ATOM 1185 CZ ARG A 76 13.748 -5.414 1.748 1.00 0.00 C ATOM 1186 NH1 ARG A 76 15.063 -5.581 1.680 1.00 0.00 N ATOM 1187 NH2 ARG A 76 12.946 -6.475 1.737 1.00 0.00 N ATOM 0 H ARG A 76 12.474 1.455 1.968 1.00 0.00 H new ATOM 0 HA ARG A 76 10.838 -0.631 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.656 -0.916 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.593 -2.162 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.874 -2.052 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.002 -0.960 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.956 -3.146 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.383 -2.730 2.827 1.00 0.00 H new ATOM 0 HE ARG A 76 12.229 -4.084 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.682 -4.770 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.455 -6.520 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.935 -6.351 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.342 -7.413 1.668 1.00 0.00 H new ATOM 1201 N PHE A 77 8.968 -0.079 2.164 1.00 0.00 N ATOM 1202 CA PHE A 77 7.829 0.246 3.007 1.00 0.00 C ATOM 1203 C PHE A 77 7.194 -1.024 3.561 1.00 0.00 C ATOM 1204 O PHE A 77 6.773 -1.900 2.804 1.00 0.00 O ATOM 1205 CB PHE A 77 6.790 1.049 2.215 1.00 0.00 C ATOM 1206 CG PHE A 77 7.306 2.360 1.684 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.089 2.402 0.540 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.007 3.549 2.329 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.565 3.603 0.052 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.480 4.755 1.844 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.260 4.782 0.705 1.00 0.00 C ATOM 0 H PHE A 77 8.721 -0.484 1.261 1.00 0.00 H new ATOM 0 HA PHE A 77 8.183 0.853 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.437 0.444 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.929 1.241 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.329 1.484 0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.398 3.534 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.175 3.621 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.239 5.675 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.631 5.723 0.325 1.00 0.00 H new ATOM 1221 N ARG A 78 7.156 -1.125 4.882 1.00 0.00 N ATOM 1222 CA ARG A 78 6.523 -2.249 5.559 1.00 0.00 C ATOM 1223 C ARG A 78 5.004 -2.158 5.424 1.00 0.00 C ATOM 1224 O ARG A 78 4.387 -1.212 5.913 1.00 0.00 O ATOM 1225 CB ARG A 78 6.936 -2.254 7.032 1.00 0.00 C ATOM 1226 CG ARG A 78 6.241 -3.300 7.878 1.00 0.00 C ATOM 1227 CD ARG A 78 6.685 -3.201 9.325 1.00 0.00 C ATOM 1228 NE ARG A 78 5.865 -4.020 10.207 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.134 -4.228 11.495 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.188 -3.642 12.058 1.00 0.00 N ATOM 1231 NH2 ARG A 78 5.347 -5.014 12.218 1.00 0.00 N ATOM 0 H ARG A 78 7.561 -0.433 5.513 1.00 0.00 H new ATOM 0 HA ARG A 78 6.849 -3.181 5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.013 -2.413 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.734 -1.270 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.161 -3.168 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.464 -4.294 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.726 -3.512 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.637 -2.161 9.648 1.00 0.00 H new ATOM 0 HE ARG A 78 5.034 -4.462 9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.790 -3.033 11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.394 -3.801 13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.536 -5.459 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.553 -5.174 13.204 1.00 0.00 H new ATOM 1245 N LEU A 79 4.418 -3.154 4.773 1.00 0.00 N ATOM 1246 CA LEU A 79 3.001 -3.125 4.412 1.00 0.00 C ATOM 1247 C LEU A 79 2.087 -3.398 5.603 1.00 0.00 C ATOM 1248 O LEU A 79 0.895 -3.112 5.544 1.00 0.00 O ATOM 1249 CB LEU A 79 2.728 -4.155 3.315 1.00 0.00 C ATOM 1250 CG LEU A 79 3.485 -3.926 2.008 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.203 -5.053 1.030 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.103 -2.586 1.403 1.00 0.00 C ATOM 0 H LEU A 79 4.905 -4.001 4.480 1.00 0.00 H new ATOM 0 HA LEU A 79 2.780 -2.119 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.982 -5.144 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.659 -4.161 3.101 1.00 0.00 H new ATOM 0 HG LEU A 79 4.554 -3.915 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.749 -4.876 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.523 -6.000 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.134 -5.093 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.651 -2.438 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.032 -2.570 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.352 -1.787 2.102 1.00 0.00 H new ATOM 1264 N SER A 80 2.647 -3.954 6.670 1.00 0.00 N ATOM 1265 CA SER A 80 1.874 -4.327 7.854 1.00 0.00 C ATOM 1266 C SER A 80 1.078 -3.138 8.402 1.00 0.00 C ATOM 1267 O SER A 80 -0.068 -3.286 8.830 1.00 0.00 O ATOM 1268 CB SER A 80 2.832 -4.857 8.912 1.00 0.00 C ATOM 1269 OG SER A 80 3.944 -5.488 8.292 1.00 0.00 O ATOM 0 H SER A 80 3.644 -4.159 6.742 1.00 0.00 H new ATOM 0 HA SER A 80 1.154 -5.098 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.175 -4.039 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.316 -5.566 9.559 1.00 0.00 H new ATOM 0 HG SER A 80 4.228 -6.255 8.832 1.00 0.00 H new ATOM 1275 N ASP A 81 1.696 -1.965 8.375 1.00 0.00 N ATOM 1276 CA ASP A 81 1.037 -0.728 8.780 1.00 0.00 C ATOM 1277 C ASP A 81 1.520 0.410 7.900 1.00 0.00 C ATOM 1278 O ASP A 81 0.736 1.057 7.216 1.00 0.00 O ATOM 1279 CB ASP A 81 1.314 -0.406 10.254 1.00 0.00 C ATOM 1280 CG ASP A 81 0.696 0.914 10.688 1.00 0.00 C ATOM 1281 OD1 ASP A 81 -0.494 0.925 11.082 1.00 0.00 O ATOM 1282 OD2 ASP A 81 1.395 1.949 10.639 1.00 0.00 O ATOM 0 H ASP A 81 2.663 -1.843 8.074 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.039 -0.855 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.922 -1.209 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.391 -0.371 10.419 1.00 0.00 H new ATOM 1287 N GLY A 82 2.822 0.631 7.896 1.00 0.00 N ATOM 1288 CA GLY A 82 3.374 1.682 7.069 1.00 0.00 C ATOM 1289 C GLY A 82 4.730 2.142 7.544 1.00 0.00 C ATOM 1290 O GLY A 82 5.049 3.331 7.496 1.00 0.00 O ATOM 0 H GLY A 82 3.503 0.107 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.454 1.327 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.689 2.530 7.060 1.00 0.00 H new ATOM 1294 N LEU A 83 5.539 1.204 8.006 1.00 0.00 N ATOM 1295 CA LEU A 83 6.868 1.533 8.473 1.00 0.00 C ATOM 1296 C LEU A 83 7.864 1.475 7.326 1.00 0.00 C ATOM 1297 O LEU A 83 8.297 0.401 6.922 1.00 0.00 O ATOM 1298 CB LEU A 83 7.316 0.578 9.576 1.00 0.00 C ATOM 1299 CG LEU A 83 8.713 0.861 10.129 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.691 2.077 11.040 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.259 -0.355 10.855 1.00 0.00 C ATOM 0 H LEU A 83 5.298 0.215 8.066 1.00 0.00 H new ATOM 0 HA LEU A 83 6.834 2.545 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.598 0.626 10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.291 -0.441 9.190 1.00 0.00 H new ATOM 0 HG LEU A 83 9.377 1.078 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.694 2.262 11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.351 2.947 10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.012 1.895 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.254 -0.132 11.241 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.598 -0.612 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.318 -1.196 10.164 1.00 0.00 H new ATOM 1313 N CYS A 84 8.193 2.621 6.776 1.00 0.00 N ATOM 1314 CA CYS A 84 9.276 2.699 5.820 1.00 0.00 C ATOM 1315 C CYS A 84 10.587 2.669 6.586 1.00 0.00 C ATOM 1316 O CYS A 84 10.792 3.474 7.489 1.00 0.00 O ATOM 1317 CB CYS A 84 9.162 3.971 4.982 1.00 0.00 C ATOM 1318 SG CYS A 84 10.541 4.253 3.847 1.00 0.00 S ATOM 0 H CYS A 84 7.730 3.508 6.972 1.00 0.00 H new ATOM 0 HA CYS A 84 9.231 1.854 5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.238 3.929 4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.081 4.826 5.653 1.00 0.00 H new ATOM 0 HG CYS A 84 11.279 3.185 3.787 1.00 0.00 H new ATOM 1324 N MET A 85 11.459 1.733 6.245 1.00 0.00 N ATOM 1325 CA MET A 85 12.702 1.539 6.990 1.00 0.00 C ATOM 1326 C MET A 85 13.616 2.761 6.871 1.00 0.00 C ATOM 1327 O MET A 85 14.570 2.920 7.632 1.00 0.00 O ATOM 1328 CB MET A 85 13.424 0.284 6.491 1.00 0.00 C ATOM 1329 CG MET A 85 14.508 -0.214 7.435 1.00 0.00 C ATOM 1330 SD MET A 85 13.858 -0.676 9.053 1.00 0.00 S ATOM 1331 CE MET A 85 15.351 -1.246 9.864 1.00 0.00 C ATOM 0 H MET A 85 11.333 1.095 5.459 1.00 0.00 H new ATOM 0 HA MET A 85 12.450 1.410 8.043 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.692 -0.510 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.870 0.494 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.007 -1.074 6.988 1.00 0.00 H new ATOM 0 HG3 MET A 85 15.262 0.563 7.559 1.00 0.00 H new ATOM 0 HE1 MET A 85 15.114 -1.567 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 85 15.771 -2.083 9.307 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.078 -0.434 9.901 1.00 0.00 H new ATOM 1341 N GLU A 86 13.321 3.615 5.904 1.00 0.00 N ATOM 1342 CA GLU A 86 14.078 4.842 5.695 1.00 0.00 C ATOM 1343 C GLU A 86 13.434 6.006 6.454 1.00 0.00 C ATOM 1344 O GLU A 86 14.112 6.938 6.885 1.00 0.00 O ATOM 1345 CB GLU A 86 14.142 5.184 4.199 1.00 0.00 C ATOM 1346 CG GLU A 86 14.868 4.154 3.335 1.00 0.00 C ATOM 1347 CD GLU A 86 14.195 2.791 3.323 1.00 0.00 C ATOM 1348 OE1 GLU A 86 12.999 2.713 2.979 1.00 0.00 O ATOM 1349 OE2 GLU A 86 14.861 1.798 3.686 1.00 0.00 O ATOM 0 H GLU A 86 12.555 3.480 5.244 1.00 0.00 H new ATOM 0 HA GLU A 86 15.089 4.684 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.125 5.300 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.637 6.148 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.931 4.528 2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.890 4.043 3.698 1.00 0.00 H new ATOM 1356 N ASP A 87 12.120 5.926 6.617 1.00 0.00 N ATOM 1357 CA ASP A 87 11.322 7.016 7.184 1.00 0.00 C ATOM 1358 C ASP A 87 10.862 6.679 8.607 1.00 0.00 C ATOM 1359 O ASP A 87 10.023 7.367 9.176 1.00 0.00 O ATOM 1360 CB ASP A 87 10.115 7.298 6.276 1.00 0.00 C ATOM 1361 CG ASP A 87 9.350 8.554 6.656 1.00 0.00 C ATOM 1362 OD1 ASP A 87 9.793 9.660 6.284 1.00 0.00 O ATOM 1363 OD2 ASP A 87 8.297 8.429 7.313 1.00 0.00 O ATOM 0 H ASP A 87 11.573 5.104 6.361 1.00 0.00 H new ATOM 0 HA ASP A 87 11.942 7.911 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.459 7.390 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.437 6.445 6.311 1.00 0.00 H new ATOM 1368 N GLU A 88 11.414 5.602 9.170 1.00 0.00 N ATOM 1369 CA GLU A 88 10.965 5.046 10.461 1.00 0.00 C ATOM 1370 C GLU A 88 10.846 6.078 11.599 1.00 0.00 C ATOM 1371 O GLU A 88 10.228 5.793 12.630 1.00 0.00 O ATOM 1372 CB GLU A 88 11.874 3.880 10.885 1.00 0.00 C ATOM 1373 CG GLU A 88 13.365 4.100 10.642 1.00 0.00 C ATOM 1374 CD GLU A 88 13.978 5.166 11.527 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.204 4.897 12.726 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.246 6.276 11.026 1.00 0.00 O ATOM 0 H GLU A 88 12.186 5.086 8.748 1.00 0.00 H new ATOM 0 HA GLU A 88 9.950 4.688 10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.719 3.687 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.563 2.983 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.892 3.160 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.517 4.376 9.598 1.00 0.00 H new ATOM 1383 N GLN A 89 11.432 7.255 11.424 1.00 0.00 N ATOM 1384 CA GLN A 89 11.273 8.344 12.383 1.00 0.00 C ATOM 1385 C GLN A 89 9.834 8.869 12.382 1.00 0.00 C ATOM 1386 O GLN A 89 9.273 9.180 13.435 1.00 0.00 O ATOM 1387 CB GLN A 89 12.235 9.493 12.057 1.00 0.00 C ATOM 1388 CG GLN A 89 13.703 9.138 12.230 1.00 0.00 C ATOM 1389 CD GLN A 89 14.051 8.784 13.662 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.436 9.279 14.605 1.00 0.00 O ATOM 1391 NE2 GLN A 89 15.038 7.924 13.836 1.00 0.00 N ATOM 0 H GLN A 89 12.024 7.482 10.625 1.00 0.00 H new ATOM 0 HA GLN A 89 11.504 7.950 13.373 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.068 9.812 11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.999 10.343 12.697 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.949 8.297 11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.317 9.979 11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.524 7.535 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.314 7.649 14.778 1.00 0.00 H new ATOM 1400 N PHE A 90 9.235 8.949 11.199 1.00 0.00 N ATOM 1401 CA PHE A 90 7.915 9.551 11.047 1.00 0.00 C ATOM 1402 C PHE A 90 6.857 8.501 10.715 1.00 0.00 C ATOM 1403 O PHE A 90 5.788 8.481 11.332 1.00 0.00 O ATOM 1404 CB PHE A 90 7.943 10.621 9.950 1.00 0.00 C ATOM 1405 CG PHE A 90 8.939 11.720 10.197 1.00 0.00 C ATOM 1406 CD1 PHE A 90 8.607 12.812 10.982 1.00 0.00 C ATOM 1407 CD2 PHE A 90 10.207 11.662 9.640 1.00 0.00 C ATOM 1408 CE1 PHE A 90 9.520 13.823 11.210 1.00 0.00 C ATOM 1409 CE2 PHE A 90 11.125 12.670 9.864 1.00 0.00 C ATOM 1410 CZ PHE A 90 10.781 13.752 10.650 1.00 0.00 C ATOM 0 H PHE A 90 9.643 8.604 10.330 1.00 0.00 H new ATOM 0 HA PHE A 90 7.651 10.013 11.998 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.171 10.144 8.997 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.949 11.059 9.857 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.622 12.874 11.421 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.481 10.819 9.023 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.248 14.668 11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.110 12.612 9.425 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.497 14.541 10.827 1.00 0.00 H new ATOM 1420 N SER A 91 7.175 7.642 9.743 1.00 0.00 N ATOM 1421 CA SER A 91 6.266 6.603 9.242 1.00 0.00 C ATOM 1422 C SER A 91 5.209 7.214 8.319 1.00 0.00 C ATOM 1423 O SER A 91 4.736 8.332 8.540 1.00 0.00 O ATOM 1424 CB SER A 91 5.612 5.819 10.388 1.00 0.00 C ATOM 1425 OG SER A 91 6.600 5.253 11.237 1.00 0.00 O ATOM 0 H SER A 91 8.081 7.647 9.275 1.00 0.00 H new ATOM 0 HA SER A 91 6.859 5.893 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.965 6.480 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.980 5.030 9.981 1.00 0.00 H new ATOM 0 HG SER A 91 6.164 4.759 11.962 1.00 0.00 H new ATOM 1431 N VAL A 92 4.830 6.473 7.286 1.00 0.00 N ATOM 1432 CA VAL A 92 3.987 7.023 6.233 1.00 0.00 C ATOM 1433 C VAL A 92 2.501 6.821 6.512 1.00 0.00 C ATOM 1434 O VAL A 92 2.111 6.091 7.427 1.00 0.00 O ATOM 1435 CB VAL A 92 4.329 6.429 4.849 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.753 6.786 4.451 1.00 0.00 C ATOM 1437 CG2 VAL A 92 4.126 4.918 4.834 1.00 0.00 C ATOM 0 H VAL A 92 5.091 5.496 7.155 1.00 0.00 H new ATOM 0 HA VAL A 92 4.195 8.093 6.221 1.00 0.00 H new ATOM 0 HB VAL A 92 3.648 6.864 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.975 6.359 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.857 7.870 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.448 6.385 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.374 4.527 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.773 4.457 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.086 4.688 5.064 1.00 0.00 H new ATOM 1447 N LYS A 93 1.689 7.483 5.698 1.00 0.00 N ATOM 1448 CA LYS A 93 0.239 7.456 5.823 1.00 0.00 C ATOM 1449 C LYS A 93 -0.300 6.043 5.597 1.00 0.00 C ATOM 1450 O LYS A 93 0.030 5.400 4.601 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.359 8.412 4.788 1.00 0.00 C ATOM 1452 CG LYS A 93 -1.823 8.751 4.999 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.018 9.711 6.157 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.388 10.371 6.107 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.570 11.188 4.873 1.00 0.00 N ATOM 0 H LYS A 93 2.023 8.059 4.925 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.041 7.767 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.217 9.337 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.243 7.971 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.229 9.192 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.384 7.836 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.905 9.175 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.243 10.477 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.162 9.604 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.517 11.005 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.338 11.873 5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.688 11.697 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.811 10.564 4.076 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.128 5.575 6.520 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.727 4.250 6.420 1.00 0.00 C ATOM 1471 C HIS A 94 -3.246 4.355 6.345 1.00 0.00 C ATOM 1472 O HIS A 94 -3.865 5.105 7.099 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.300 3.385 7.618 1.00 0.00 C ATOM 1474 CG HIS A 94 -2.048 2.089 7.762 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.675 1.719 8.931 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -2.253 1.068 6.891 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -3.231 0.532 8.777 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.992 0.114 7.550 1.00 0.00 N ATOM 0 H HIS A 94 -1.402 6.097 7.352 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.374 3.774 5.505 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.236 3.165 7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.430 3.966 8.531 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.901 1.015 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.788 -0.006 9.530 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.304 -0.773 7.154 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.829 3.614 5.416 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.274 3.548 5.266 1.00 0.00 C ATOM 1489 C TYR A 95 -5.733 2.119 5.491 1.00 0.00 C ATOM 1490 O TYR A 95 -4.961 1.179 5.294 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.695 4.015 3.870 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.288 5.435 3.565 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -6.121 6.497 3.884 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -4.064 5.714 2.970 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -5.748 7.799 3.617 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.681 7.012 2.705 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.527 8.051 3.030 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.145 9.348 2.781 1.00 0.00 O ATOM 0 H TYR A 95 -3.315 3.042 4.746 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.737 4.206 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.256 3.351 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.777 3.927 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.076 6.302 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.402 4.901 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.409 8.615 3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.724 7.213 2.246 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.560 9.372 1.995 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.972 1.948 5.907 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.481 0.615 6.165 1.00 0.00 C ATOM 1510 C GLU A 96 -8.131 0.061 4.908 1.00 0.00 C ATOM 1511 O GLU A 96 -8.895 0.759 4.242 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.480 0.626 7.317 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.522 -0.688 8.078 1.00 0.00 C ATOM 1514 CD GLU A 96 -7.236 -0.954 8.838 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -6.213 -1.268 8.197 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -7.243 -0.830 10.081 1.00 0.00 O ATOM 0 H GLU A 96 -7.637 2.703 6.072 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.646 -0.026 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.223 1.431 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.474 0.846 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.358 -0.674 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.704 -1.504 7.379 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.821 -1.184 4.585 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.339 -1.808 3.380 1.00 0.00 C ATOM 1525 C ALA A 97 -9.019 -3.130 3.703 1.00 0.00 C ATOM 1526 O ALA A 97 -8.455 -3.976 4.397 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.218 -2.021 2.374 1.00 0.00 C ATOM 0 H ALA A 97 -7.212 -1.783 5.142 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.082 -1.142 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.620 -2.489 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.774 -1.060 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.456 -2.667 2.810 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.231 -3.305 3.202 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.967 -4.540 3.426 1.00 0.00 C ATOM 1535 C ARG A 98 -11.531 -5.061 2.113 1.00 0.00 C ATOM 1536 O ARG A 98 -11.798 -4.288 1.193 1.00 0.00 O ATOM 1537 CB ARG A 98 -12.107 -4.331 4.431 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.256 -3.482 3.900 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.404 -3.416 4.895 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.532 -2.629 4.392 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.718 -2.556 5.000 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.954 -3.263 6.097 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.680 -1.795 4.492 1.00 0.00 N ATOM 0 H ARG A 98 -10.725 -2.612 2.640 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.274 -5.273 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.496 -5.304 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.705 -3.859 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.898 -2.475 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.613 -3.898 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.742 -4.427 5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.048 -2.981 5.829 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.404 -2.106 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.227 -3.867 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.862 -3.203 6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.513 -1.265 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.586 -1.740 4.957 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.697 -6.371 2.030 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.313 -6.989 0.868 1.00 0.00 C ATOM 1559 C VAL A 99 -13.776 -7.304 1.158 1.00 0.00 C ATOM 1560 O VAL A 99 -14.098 -8.313 1.787 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.574 -8.276 0.449 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.210 -8.892 -0.786 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.105 -7.982 0.200 1.00 0.00 C ATOM 0 H VAL A 99 -11.413 -7.028 2.756 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.248 -6.281 0.042 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.654 -8.996 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.670 -9.798 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.250 -9.140 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.167 -8.181 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.595 -8.899 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.012 -7.243 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.652 -7.593 1.112 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.650 -6.420 0.714 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.076 -6.556 0.956 1.00 0.00 C ATOM 1575 C LYS A 100 -16.773 -7.083 -0.282 1.00 0.00 C ATOM 1576 O LYS A 100 -16.808 -6.403 -1.306 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.675 -5.207 1.330 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.153 -5.281 1.677 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.759 -3.902 1.847 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.258 -3.983 2.076 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.962 -4.649 0.945 1.00 0.00 N ATOM 0 H LYS A 100 -14.394 -5.591 0.178 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.219 -7.259 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.129 -4.798 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.538 -4.514 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.685 -5.818 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.283 -5.851 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.287 -3.396 2.689 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.556 -3.301 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.454 -4.531 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.659 -2.978 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.981 -4.448 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.589 -4.288 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.808 -5.676 0.997 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.313 -8.294 -0.192 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.006 -8.919 -1.318 1.00 0.00 C ATOM 1597 C ASP A 101 -17.051 -9.097 -2.491 1.00 0.00 C ATOM 1598 O ASP A 101 -17.469 -9.188 -3.647 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.223 -8.084 -1.747 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.347 -8.118 -0.731 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -21.121 -9.101 -0.734 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.471 -7.165 0.070 1.00 0.00 O ATOM 0 H ASP A 101 -17.285 -8.866 0.652 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.361 -9.899 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.912 -7.051 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.593 -8.454 -2.703 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.766 -9.170 -2.178 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.755 -9.273 -3.208 1.00 0.00 C ATOM 1609 C GLY A 102 -14.330 -7.918 -3.742 1.00 0.00 C ATOM 1610 O GLY A 102 -13.600 -7.839 -4.731 1.00 0.00 O ATOM 0 H GLY A 102 -15.405 -9.160 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.884 -9.792 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.137 -9.880 -4.029 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.776 -6.848 -3.092 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.456 -5.500 -3.540 1.00 0.00 C ATOM 1616 C VAL A 103 -13.545 -4.812 -2.532 1.00 0.00 C ATOM 1617 O VAL A 103 -13.818 -4.819 -1.332 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.733 -4.651 -3.740 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.395 -3.286 -4.323 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.730 -5.379 -4.627 1.00 0.00 C ATOM 0 H VAL A 103 -15.358 -6.889 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.945 -5.586 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.191 -4.498 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.311 -2.709 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.726 -2.756 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.906 -3.414 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.621 -4.764 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.279 -5.570 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.006 -6.326 -4.163 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.462 -4.230 -3.019 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.505 -3.552 -2.160 1.00 0.00 C ATOM 1632 C VAL A 104 -12.044 -2.191 -1.743 1.00 0.00 C ATOM 1633 O VAL A 104 -12.353 -1.351 -2.591 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.147 -3.356 -2.866 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.119 -2.775 -1.906 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.653 -4.669 -3.454 1.00 0.00 C ATOM 0 H VAL A 104 -12.222 -4.213 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.355 -4.181 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.287 -2.648 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.169 -2.645 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.468 -1.809 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.983 -3.454 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.694 -4.509 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.533 -5.402 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.377 -5.038 -4.180 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.176 -1.983 -0.443 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.618 -0.701 0.079 1.00 0.00 C ATOM 1648 C GLN A 105 -11.550 -0.093 0.971 1.00 0.00 C ATOM 1649 O GLN A 105 -10.867 -0.809 1.707 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.919 -0.845 0.865 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.096 -1.303 0.026 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.408 -1.177 0.768 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.456 -1.284 1.994 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.480 -0.952 0.031 1.00 0.00 N ATOM 0 H GLN A 105 -11.983 -2.686 0.270 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.796 -0.042 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.765 -1.556 1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.163 0.113 1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.140 -0.713 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.947 -2.341 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.394 -0.870 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.394 -0.860 0.475 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.414 1.222 0.900 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.431 1.939 1.700 1.00 0.00 C ATOM 1665 C LEU A 106 -11.122 2.857 2.701 1.00 0.00 C ATOM 1666 O LEU A 106 -12.119 3.498 2.374 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.514 2.775 0.803 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.753 2.000 -0.272 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.900 2.949 -1.097 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.891 0.917 0.356 1.00 0.00 C ATOM 0 H LEU A 106 -11.976 1.818 0.292 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.835 1.201 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.115 3.542 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.790 3.290 1.434 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.476 1.519 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.362 2.385 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.540 3.690 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.185 3.454 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.358 0.377 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.172 1.373 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.524 0.223 0.909 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.598 2.904 3.918 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.080 3.845 4.919 1.00 0.00 C ATOM 1684 C ARG A 107 -9.947 4.754 5.366 1.00 0.00 C ATOM 1685 O ARG A 107 -8.844 4.288 5.667 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.664 3.125 6.139 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.264 4.074 7.164 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.677 3.357 8.440 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.569 3.201 9.381 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.504 3.826 10.558 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -12.491 4.634 10.940 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.465 3.623 11.360 1.00 0.00 N ATOM 0 H ARG A 107 -9.839 2.301 4.236 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.873 4.436 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.432 2.426 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.880 2.535 6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.539 4.851 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.132 4.571 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.482 3.913 8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.076 2.374 8.188 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.803 2.579 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.298 4.776 10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.440 5.111 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.718 2.990 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.414 4.100 12.260 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.224 6.045 5.400 1.00 0.00 N ATOM 1707 CA GLY A 108 -9.255 7.005 5.870 1.00 0.00 C ATOM 1708 C GLY A 108 -9.913 8.065 6.720 1.00 0.00 C ATOM 1709 O GLY A 108 -10.889 7.776 7.414 1.00 0.00 O ATOM 0 H GLY A 108 -11.114 6.448 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.484 6.496 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.758 7.472 5.020 1.00 0.00 H new