USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.373 USER MOD Set 1.2: A 103 THR OG1 : rot -69:sc= 0.398 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -168:sc= 0.137 (180deg=0) USER MOD Set 2.2: A 19 TYR OH : rot -130:sc= 0.0996 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.279 USER MOD Set 3.2: A 18 THR OG1 : rot -67:sc= 0.291 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 0.921 (180deg=0.423) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.86 (180deg=1.12) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= 0.997 (180deg=0.865) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 173:sc= -0.574 (180deg=-0.678) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-6.6!) USER MOD Single : A 65 SER OG : rot 69:sc= 0.893 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 0.878 (180deg=0.878) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -23:sc= 0.969 USER MOD Single : A 91 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0317 K(o=-0.032,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 67:sc= 1.31 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 14.002 8.533 2.626 1.00 0.00 N ATOM 61 CA LYS A 5 12.663 8.485 3.201 1.00 0.00 C ATOM 62 C LYS A 5 11.630 8.781 2.102 1.00 0.00 C ATOM 63 O LYS A 5 11.717 9.805 1.409 1.00 0.00 O ATOM 64 CB LYS A 5 12.528 9.480 4.355 1.00 0.00 C ATOM 65 CG LYS A 5 11.172 9.460 5.048 1.00 0.00 C ATOM 66 CD LYS A 5 11.174 10.335 6.293 1.00 0.00 C ATOM 67 CE LYS A 5 11.080 11.810 5.933 1.00 0.00 C ATOM 68 NZ LYS A 5 11.084 12.679 7.141 1.00 0.00 N ATOM 0 HA LYS A 5 12.483 7.489 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.302 9.269 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.714 10.485 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.403 9.808 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.916 8.436 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.336 10.061 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.085 10.155 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.917 12.080 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.168 11.987 5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.019 13.676 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.271 12.439 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.965 12.530 7.673 1.00 0.00 H new ATOM 82 N VAL A 6 10.689 7.863 1.929 1.00 0.00 N ATOM 83 CA VAL A 6 9.418 8.119 1.235 1.00 0.00 C ATOM 84 C VAL A 6 8.277 7.922 2.240 1.00 0.00 C ATOM 85 O VAL A 6 8.375 7.098 3.148 1.00 0.00 O ATOM 86 CB VAL A 6 9.214 7.190 0.022 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.210 5.734 0.462 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.917 7.531 -0.697 1.00 0.00 C ATOM 0 H VAL A 6 10.780 6.905 2.268 1.00 0.00 H new ATOM 0 HA VAL A 6 9.432 9.139 0.851 1.00 0.00 H new ATOM 0 HB VAL A 6 10.043 7.340 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.065 5.092 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.162 5.494 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.400 5.571 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.789 6.866 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.078 7.408 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.954 8.564 -1.044 1.00 0.00 H new ATOM 98 N GLU A 7 7.201 8.700 2.082 1.00 0.00 N ATOM 99 CA GLU A 7 6.033 8.626 2.969 1.00 0.00 C ATOM 100 C GLU A 7 4.862 7.970 2.220 1.00 0.00 C ATOM 101 O GLU A 7 4.586 8.291 1.064 1.00 0.00 O ATOM 102 CB GLU A 7 5.639 10.016 3.470 1.00 0.00 C ATOM 103 CG GLU A 7 6.619 10.629 4.460 1.00 0.00 C ATOM 104 CD GLU A 7 6.160 11.986 4.915 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.140 12.435 4.449 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.765 12.527 5.811 1.00 0.00 O ATOM 0 H GLU A 7 7.114 9.395 1.341 1.00 0.00 H new ATOM 0 HA GLU A 7 6.288 8.020 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.541 10.683 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.657 9.955 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.727 9.971 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.602 10.712 3.997 1.00 0.00 H new ATOM 113 N VAL A 8 4.195 7.039 2.908 1.00 0.00 N ATOM 114 CA VAL A 8 3.067 6.263 2.375 1.00 0.00 C ATOM 115 C VAL A 8 1.851 6.417 3.300 1.00 0.00 C ATOM 116 O VAL A 8 1.927 6.090 4.484 1.00 0.00 O ATOM 117 CB VAL A 8 3.415 4.770 2.230 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.191 3.978 1.794 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.551 4.582 1.234 1.00 0.00 C ATOM 0 H VAL A 8 4.427 6.797 3.871 1.00 0.00 H new ATOM 0 HA VAL A 8 2.837 6.652 1.383 1.00 0.00 H new ATOM 0 HB VAL A 8 3.741 4.397 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.455 2.925 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.403 4.087 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.837 4.354 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.784 3.521 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.250 4.971 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.433 5.119 1.583 1.00 0.00 H new ATOM 129 N GLN A 9 0.728 6.898 2.753 1.00 0.00 N ATOM 130 CA GLN A 9 -0.528 7.012 3.490 1.00 0.00 C ATOM 131 C GLN A 9 -1.403 5.806 3.124 1.00 0.00 C ATOM 132 O GLN A 9 -1.670 5.571 1.943 1.00 0.00 O ATOM 133 CB GLN A 9 -1.249 8.322 3.162 1.00 0.00 C ATOM 134 CG GLN A 9 -2.531 8.541 3.946 1.00 0.00 C ATOM 135 CD GLN A 9 -3.180 9.875 3.632 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.607 10.711 2.928 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.383 10.085 4.157 1.00 0.00 N ATOM 0 H GLN A 9 0.669 7.218 1.786 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.325 7.021 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.572 9.154 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.480 8.339 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.232 7.737 3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.315 8.487 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.820 9.366 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.869 10.965 3.983 1.00 0.00 H new ATOM 146 N VAL A 10 -1.807 5.028 4.131 1.00 0.00 N ATOM 147 CA VAL A 10 -2.662 3.849 3.935 1.00 0.00 C ATOM 148 C VAL A 10 -4.041 4.149 4.534 1.00 0.00 C ATOM 149 O VAL A 10 -4.155 4.390 5.735 1.00 0.00 O ATOM 150 CB VAL A 10 -2.073 2.583 4.587 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.006 1.399 4.386 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.697 2.280 4.015 1.00 0.00 C ATOM 0 H VAL A 10 -1.553 5.195 5.105 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.735 3.650 2.866 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.969 2.763 5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.575 0.513 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.972 1.616 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.140 1.219 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.296 1.383 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.777 2.120 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.030 3.120 4.208 1.00 0.00 H new ATOM 162 N LYS A 11 -5.067 4.175 3.674 1.00 0.00 N ATOM 163 CA LYS A 11 -6.458 4.442 4.069 1.00 0.00 C ATOM 164 C LYS A 11 -7.287 3.175 3.824 1.00 0.00 C ATOM 165 O LYS A 11 -7.383 2.726 2.693 1.00 0.00 O ATOM 166 CB LYS A 11 -7.037 5.627 3.295 1.00 0.00 C ATOM 167 CG LYS A 11 -8.448 6.021 3.711 1.00 0.00 C ATOM 168 CD LYS A 11 -8.980 7.160 2.854 1.00 0.00 C ATOM 169 CE LYS A 11 -10.352 7.615 3.328 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.893 8.719 2.488 1.00 0.00 N ATOM 0 H LYS A 11 -4.955 4.010 2.674 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.488 4.705 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.380 6.487 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.039 5.385 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.109 5.159 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.450 6.320 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.285 7.999 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.040 6.838 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.042 6.771 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.286 7.946 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.829 9.000 2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.248 9.534 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.980 8.395 1.503 1.00 0.00 H new ATOM 184 N ILE A 12 -7.873 2.588 4.882 1.00 0.00 N ATOM 185 CA ILE A 12 -8.669 1.347 4.755 1.00 0.00 C ATOM 186 C ILE A 12 -10.049 1.539 5.411 1.00 0.00 C ATOM 187 O ILE A 12 -10.159 2.075 6.514 1.00 0.00 O ATOM 188 CB ILE A 12 -7.961 0.140 5.398 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.829 -1.115 5.278 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.637 0.429 6.856 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.113 -2.391 5.656 1.00 0.00 C ATOM 0 H ILE A 12 -7.813 2.949 5.834 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.785 1.141 3.691 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.026 -0.037 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.707 -1.000 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.187 -1.201 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.137 -0.434 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.982 1.298 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.559 0.630 7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.793 -3.236 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.251 -2.531 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.779 -2.327 6.691 1.00 0.00 H new ATOM 203 N THR A 13 -11.100 1.127 4.695 1.00 0.00 N ATOM 204 CA THR A 13 -12.477 1.144 5.191 1.00 0.00 C ATOM 205 C THR A 13 -12.922 -0.303 5.513 1.00 0.00 C ATOM 206 O THR A 13 -12.857 -1.189 4.648 1.00 0.00 O ATOM 207 CB THR A 13 -13.447 1.773 4.173 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.077 3.138 3.937 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.875 1.720 4.692 1.00 0.00 C ATOM 0 H THR A 13 -11.016 0.768 3.744 1.00 0.00 H new ATOM 0 HA THR A 13 -12.504 1.757 6.092 1.00 0.00 H new ATOM 0 HB THR A 13 -13.390 1.208 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.694 3.537 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.545 2.169 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.163 0.682 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.942 2.271 5.630 1.00 0.00 H new ATOM 217 N CYS A 14 -13.327 -0.525 6.776 1.00 0.00 N ATOM 218 CA CYS A 14 -13.813 -1.827 7.294 1.00 0.00 C ATOM 219 C CYS A 14 -14.820 -1.565 8.432 1.00 0.00 C ATOM 220 O CYS A 14 -14.660 -0.585 9.159 1.00 0.00 O ATOM 221 CB CYS A 14 -12.639 -2.682 7.818 1.00 0.00 C ATOM 222 SG CYS A 14 -13.125 -4.070 8.910 1.00 0.00 S ATOM 0 H CYS A 14 -13.328 0.209 7.485 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.296 -2.376 6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.092 -3.084 6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.951 -2.035 8.362 1.00 0.00 H new ATOM 227 N ASN A 15 -15.866 -2.430 8.553 1.00 0.00 N ATOM 228 CA ASN A 15 -16.935 -2.322 9.606 1.00 0.00 C ATOM 229 C ASN A 15 -17.654 -0.938 9.545 1.00 0.00 C ATOM 230 O ASN A 15 -18.185 -0.441 10.549 1.00 0.00 O ATOM 231 CB ASN A 15 -16.376 -2.556 10.997 1.00 0.00 C ATOM 232 CG ASN A 15 -17.415 -2.950 12.010 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.431 -3.571 11.677 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.207 -2.522 13.229 1.00 0.00 N ATOM 0 H ASN A 15 -15.998 -3.224 7.927 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.666 -3.103 9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.617 -3.336 10.947 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.878 -1.648 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.901 -2.697 13.956 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.351 -2.014 13.452 1.00 0.00 H new ATOM 241 N GLY A 16 -17.699 -0.339 8.337 1.00 0.00 N ATOM 242 CA GLY A 16 -18.366 0.953 8.128 1.00 0.00 C ATOM 243 C GLY A 16 -17.517 2.128 8.607 1.00 0.00 C ATOM 244 O GLY A 16 -17.937 3.285 8.521 1.00 0.00 O ATOM 0 H GLY A 16 -17.280 -0.733 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.589 1.077 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.319 0.957 8.657 1.00 0.00 H new ATOM 248 N LYS A 17 -16.305 1.819 9.085 1.00 0.00 N ATOM 249 CA LYS A 17 -15.364 2.788 9.653 1.00 0.00 C ATOM 250 C LYS A 17 -14.129 2.891 8.754 1.00 0.00 C ATOM 251 O LYS A 17 -13.751 1.923 8.092 1.00 0.00 O ATOM 252 CB LYS A 17 -14.960 2.390 11.075 1.00 0.00 C ATOM 253 CG LYS A 17 -16.124 2.279 12.050 1.00 0.00 C ATOM 254 CD LYS A 17 -15.691 1.628 13.356 1.00 0.00 C ATOM 255 CE LYS A 17 -14.829 2.569 14.185 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.351 1.926 15.439 1.00 0.00 N ATOM 0 H LYS A 17 -15.945 0.865 9.087 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.852 3.761 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.440 1.433 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.250 3.124 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.528 3.271 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.925 1.695 11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.571 1.338 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.135 0.715 13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.972 2.892 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.402 3.463 14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.944 2.649 16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.149 1.462 15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.625 1.217 15.211 1.00 0.00 H new ATOM 270 N THR A 18 -13.521 4.081 8.713 1.00 0.00 N ATOM 271 CA THR A 18 -12.305 4.335 7.939 1.00 0.00 C ATOM 272 C THR A 18 -11.130 4.558 8.900 1.00 0.00 C ATOM 273 O THR A 18 -11.206 5.376 9.824 1.00 0.00 O ATOM 274 CB THR A 18 -12.455 5.558 7.014 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.494 5.311 6.056 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.152 5.837 6.283 1.00 0.00 C ATOM 0 H THR A 18 -13.862 4.898 9.219 1.00 0.00 H new ATOM 0 HA THR A 18 -12.121 3.465 7.309 1.00 0.00 H new ATOM 0 HB THR A 18 -12.711 6.426 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.215 4.595 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.277 6.704 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.363 6.037 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.880 4.970 5.681 1.00 0.00 H new ATOM 284 N TYR A 19 -10.060 3.802 8.676 1.00 0.00 N ATOM 285 CA TYR A 19 -8.838 3.865 9.469 1.00 0.00 C ATOM 286 C TYR A 19 -7.718 4.316 8.536 1.00 0.00 C ATOM 287 O TYR A 19 -7.469 3.678 7.508 1.00 0.00 O ATOM 288 CB TYR A 19 -8.512 2.513 10.108 1.00 0.00 C ATOM 289 CG TYR A 19 -9.618 1.966 10.984 1.00 0.00 C ATOM 290 CD1 TYR A 19 -9.686 2.293 12.330 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.587 1.122 10.463 1.00 0.00 C ATOM 292 CE1 TYR A 19 -10.693 1.797 13.135 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.600 0.621 11.258 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.649 0.961 12.595 1.00 0.00 C ATOM 295 OH TYR A 19 -12.653 0.463 13.392 1.00 0.00 O ATOM 0 H TYR A 19 -10.018 3.115 7.923 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.960 4.569 10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.296 1.792 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.605 2.613 10.705 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.939 2.946 12.756 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.549 0.852 9.418 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.732 2.062 14.181 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.349 -0.033 10.836 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.716 -0.508 13.271 1.00 0.00 H new ATOM 305 N GLU A 20 -7.081 5.444 8.846 1.00 0.00 N ATOM 306 CA GLU A 20 -5.965 5.942 8.036 1.00 0.00 C ATOM 307 C GLU A 20 -4.822 6.469 8.892 1.00 0.00 C ATOM 308 O GLU A 20 -5.030 7.024 9.975 1.00 0.00 O ATOM 309 CB GLU A 20 -6.445 7.042 7.086 1.00 0.00 C ATOM 310 CG GLU A 20 -6.973 8.288 7.783 1.00 0.00 C ATOM 311 CD GLU A 20 -7.393 9.334 6.788 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.297 9.079 5.611 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.914 10.343 7.201 1.00 0.00 O ATOM 0 H GLU A 20 -7.315 6.030 9.648 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.588 5.097 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.620 7.327 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.230 6.637 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.821 8.022 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.203 8.695 8.438 1.00 0.00 H new ATOM 320 N ARG A 21 -3.617 6.237 8.378 1.00 0.00 N ATOM 321 CA ARG A 21 -2.357 6.615 9.015 1.00 0.00 C ATOM 322 C ARG A 21 -1.307 6.792 7.916 1.00 0.00 C ATOM 323 O ARG A 21 -1.281 6.029 6.943 1.00 0.00 O ATOM 324 CB ARG A 21 -1.914 5.631 10.088 1.00 0.00 C ATOM 325 CG ARG A 21 -0.748 6.101 10.943 1.00 0.00 C ATOM 326 CD ARG A 21 -0.456 5.232 12.112 1.00 0.00 C ATOM 327 NE ARG A 21 0.640 5.694 12.947 1.00 0.00 N ATOM 328 CZ ARG A 21 0.803 5.369 14.245 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.075 4.614 14.870 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.856 5.850 14.881 1.00 0.00 N ATOM 0 H ARG A 21 -3.486 5.768 7.482 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.494 7.555 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.762 5.420 10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.639 4.692 9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.144 6.162 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.957 7.110 11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.355 5.154 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.226 4.228 11.754 1.00 0.00 H new ATOM 0 HE ARG A 21 1.335 6.307 12.521 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.894 4.265 14.372 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.063 4.377 15.852 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.519 6.450 14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.006 5.622 15.864 1.00 0.00 H new ATOM 344 N THR A 22 -0.487 7.833 8.046 1.00 0.00 N ATOM 345 CA THR A 22 0.640 8.071 7.156 1.00 0.00 C ATOM 346 C THR A 22 1.897 7.489 7.842 1.00 0.00 C ATOM 347 O THR A 22 2.116 7.711 9.037 1.00 0.00 O ATOM 348 CB THR A 22 0.838 9.567 6.852 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.330 10.082 6.199 1.00 0.00 O ATOM 350 CG2 THR A 22 2.048 9.772 5.954 1.00 0.00 C ATOM 0 H THR A 22 -0.589 8.537 8.777 1.00 0.00 H new ATOM 0 HA THR A 22 0.453 7.588 6.197 1.00 0.00 H new ATOM 0 HB THR A 22 1.001 10.096 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.204 11.035 6.007 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.173 10.835 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.940 9.391 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.900 9.237 5.016 1.00 0.00 H new ATOM 358 N TYR A 23 2.662 6.686 7.089 1.00 0.00 N ATOM 359 CA TYR A 23 3.877 6.009 7.578 1.00 0.00 C ATOM 360 C TYR A 23 5.106 6.544 6.839 1.00 0.00 C ATOM 361 O TYR A 23 5.035 6.840 5.649 1.00 0.00 O ATOM 362 CB TYR A 23 3.767 4.473 7.344 1.00 0.00 C ATOM 363 CG TYR A 23 2.530 3.824 7.984 1.00 0.00 C ATOM 364 CD1 TYR A 23 2.549 3.350 9.298 1.00 0.00 C ATOM 365 CD2 TYR A 23 1.339 3.685 7.266 1.00 0.00 C ATOM 366 CE1 TYR A 23 1.429 2.777 9.869 1.00 0.00 C ATOM 367 CE2 TYR A 23 0.218 3.119 7.838 1.00 0.00 C ATOM 368 CZ TYR A 23 0.269 2.662 9.133 1.00 0.00 C ATOM 369 OH TYR A 23 -0.849 2.115 9.708 1.00 0.00 O ATOM 0 H TYR A 23 2.454 6.484 6.111 1.00 0.00 H new ATOM 0 HA TYR A 23 3.979 6.205 8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.750 4.281 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.661 3.992 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.456 3.433 9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.295 4.028 6.243 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.462 2.421 10.888 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.697 3.035 7.270 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.581 2.107 9.057 1.00 0.00 H new ATOM 379 N GLN A 24 6.233 6.626 7.549 1.00 0.00 N ATOM 380 CA GLN A 24 7.516 6.992 6.943 1.00 0.00 C ATOM 381 C GLN A 24 8.282 5.689 6.658 1.00 0.00 C ATOM 382 O GLN A 24 8.668 4.971 7.583 1.00 0.00 O ATOM 383 CB GLN A 24 8.328 7.908 7.862 1.00 0.00 C ATOM 384 CG GLN A 24 7.673 9.250 8.140 1.00 0.00 C ATOM 385 CD GLN A 24 6.611 9.163 9.221 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.718 8.360 10.152 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.578 9.988 9.099 1.00 0.00 N ATOM 0 H GLN A 24 6.283 6.443 8.551 1.00 0.00 H new ATOM 0 HA GLN A 24 7.346 7.547 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.498 7.396 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.306 8.080 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.436 9.968 8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.223 9.629 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.532 10.635 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.830 9.975 9.792 1.00 0.00 H new ATOM 396 N LEU A 25 8.461 5.392 5.368 1.00 0.00 N ATOM 397 CA LEU A 25 9.142 4.181 4.883 1.00 0.00 C ATOM 398 C LEU A 25 10.502 4.587 4.316 1.00 0.00 C ATOM 399 O LEU A 25 10.569 5.279 3.298 1.00 0.00 O ATOM 400 CB LEU A 25 8.299 3.459 3.825 1.00 0.00 C ATOM 401 CG LEU A 25 6.920 2.984 4.299 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.279 2.099 3.239 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.066 2.232 5.613 1.00 0.00 C ATOM 0 H LEU A 25 8.132 5.996 4.615 1.00 0.00 H new ATOM 0 HA LEU A 25 9.281 3.483 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.163 4.127 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.859 2.596 3.465 1.00 0.00 H new ATOM 0 HG LEU A 25 6.273 3.847 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.300 1.767 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.164 2.664 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.913 1.231 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.086 1.894 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.717 1.370 5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.500 2.892 6.364 1.00 0.00 H new ATOM 415 N TYR A 26 11.582 4.197 4.994 1.00 0.00 N ATOM 416 CA TYR A 26 12.950 4.413 4.510 1.00 0.00 C ATOM 417 C TYR A 26 13.336 3.264 3.578 1.00 0.00 C ATOM 418 O TYR A 26 13.039 2.096 3.872 1.00 0.00 O ATOM 419 CB TYR A 26 13.938 4.514 5.675 1.00 0.00 C ATOM 420 CG TYR A 26 14.257 5.934 6.086 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.261 6.650 5.450 1.00 0.00 C ATOM 422 CD2 TYR A 26 13.556 6.555 7.109 1.00 0.00 C ATOM 423 CE1 TYR A 26 15.558 7.947 5.820 1.00 0.00 C ATOM 424 CE2 TYR A 26 13.844 7.853 7.488 1.00 0.00 C ATOM 425 CZ TYR A 26 14.846 8.546 6.841 1.00 0.00 C ATOM 426 OH TYR A 26 15.139 9.838 7.214 1.00 0.00 O ATOM 0 H TYR A 26 11.535 3.722 5.895 1.00 0.00 H new ATOM 0 HA TYR A 26 12.989 5.356 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.529 3.981 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.864 4.009 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 26 15.820 6.185 4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.771 6.015 7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.343 8.490 5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.288 8.322 8.286 1.00 0.00 H new ATOM 0 HH TYR A 26 14.546 10.110 7.945 1.00 0.00 H new ATOM 436 N ALA A 27 13.981 3.600 2.454 1.00 0.00 N ATOM 437 CA ALA A 27 14.693 2.632 1.617 1.00 0.00 C ATOM 438 C ALA A 27 15.636 3.357 0.667 1.00 0.00 C ATOM 439 O ALA A 27 15.258 4.356 0.048 1.00 0.00 O ATOM 440 CB ALA A 27 13.704 1.760 0.835 1.00 0.00 C ATOM 0 H ALA A 27 14.023 4.556 2.100 1.00 0.00 H new ATOM 0 HA ALA A 27 15.281 1.979 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.254 1.048 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.065 1.219 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.088 2.392 0.195 1.00 0.00 H new ATOM 446 N VAL A 28 16.872 2.848 0.585 1.00 0.00 N ATOM 447 CA VAL A 28 17.906 3.342 -0.345 1.00 0.00 C ATOM 448 C VAL A 28 17.995 2.396 -1.569 1.00 0.00 C ATOM 449 O VAL A 28 18.667 2.688 -2.567 1.00 0.00 O ATOM 450 CB VAL A 28 19.286 3.444 0.331 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.350 2.776 -0.527 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.648 4.900 0.587 1.00 0.00 C ATOM 0 H VAL A 28 17.190 2.073 1.167 1.00 0.00 H new ATOM 0 HA VAL A 28 17.618 4.344 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 28 19.239 2.926 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.319 2.858 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.100 1.724 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.395 3.267 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.626 4.953 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.677 5.440 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.900 5.352 1.239 1.00 0.00 H new ATOM 462 N ARG A 29 17.308 1.243 -1.466 1.00 0.00 N ATOM 463 CA ARG A 29 17.181 0.249 -2.556 1.00 0.00 C ATOM 464 C ARG A 29 15.684 -0.064 -2.750 1.00 0.00 C ATOM 465 O ARG A 29 14.916 -0.018 -1.780 1.00 0.00 O ATOM 466 CB ARG A 29 18.005 -1.009 -2.318 1.00 0.00 C ATOM 467 CG ARG A 29 19.511 -0.797 -2.319 1.00 0.00 C ATOM 468 CD ARG A 29 20.293 -1.965 -1.841 1.00 0.00 C ATOM 469 NE ARG A 29 20.118 -2.272 -0.431 1.00 0.00 N ATOM 470 CZ ARG A 29 20.560 -3.395 0.167 1.00 0.00 C ATOM 471 NH1 ARG A 29 21.167 -4.337 -0.521 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.343 -3.538 1.465 1.00 0.00 N ATOM 0 H ARG A 29 16.818 0.969 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 29 17.592 0.676 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.714 -1.441 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.755 -1.740 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.831 -0.550 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.745 0.063 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 29 20.011 -2.839 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.350 -1.781 -2.031 1.00 0.00 H new ATOM 0 HE ARG A 29 19.626 -1.589 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.310 -4.224 -1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.495 -5.181 -0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.853 -2.809 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.666 -4.377 1.947 1.00 0.00 H new ATOM 486 N ASP A 30 15.269 -0.405 -3.988 1.00 0.00 N ATOM 487 CA ASP A 30 13.850 -0.714 -4.305 1.00 0.00 C ATOM 488 C ASP A 30 13.350 -1.923 -3.486 1.00 0.00 C ATOM 489 O ASP A 30 12.210 -1.955 -3.027 1.00 0.00 O ATOM 490 CB ASP A 30 13.675 -0.990 -5.801 1.00 0.00 C ATOM 491 CG ASP A 30 13.753 0.250 -6.681 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.709 1.335 -6.152 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.013 0.107 -7.852 1.00 0.00 O ATOM 0 H ASP A 30 15.895 -0.475 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 30 13.254 0.158 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.441 -1.696 -6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.711 -1.473 -5.959 1.00 0.00 H new ATOM 498 N GLU A 31 14.243 -2.904 -3.306 1.00 0.00 N ATOM 499 CA GLU A 31 13.958 -4.157 -2.591 1.00 0.00 C ATOM 500 C GLU A 31 13.659 -3.896 -1.097 1.00 0.00 C ATOM 501 O GLU A 31 12.791 -4.549 -0.514 1.00 0.00 O ATOM 502 CB GLU A 31 15.133 -5.128 -2.732 1.00 0.00 C ATOM 503 CG GLU A 31 15.324 -5.683 -4.136 1.00 0.00 C ATOM 504 CD GLU A 31 14.112 -6.446 -4.591 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.646 -7.281 -3.852 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.583 -6.120 -5.627 1.00 0.00 O ATOM 0 H GLU A 31 15.199 -2.850 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 31 13.071 -4.604 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.048 -4.619 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.986 -5.959 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.523 -4.865 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.196 -6.336 -4.156 1.00 0.00 H new ATOM 513 N GLU A 32 14.347 -2.896 -0.504 1.00 0.00 N ATOM 514 CA GLU A 32 14.235 -2.588 0.943 1.00 0.00 C ATOM 515 C GLU A 32 12.811 -2.122 1.293 1.00 0.00 C ATOM 516 O GLU A 32 12.307 -2.422 2.375 1.00 0.00 O ATOM 517 CB GLU A 32 15.251 -1.519 1.350 1.00 0.00 C ATOM 518 CG GLU A 32 16.696 -1.997 1.359 1.00 0.00 C ATOM 519 CD GLU A 32 17.644 -0.866 1.651 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.192 0.247 1.768 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.803 -1.131 1.869 1.00 0.00 O ATOM 0 H GLU A 32 14.990 -2.284 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 32 14.449 -3.502 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.165 -0.674 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.996 -1.152 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.818 -2.779 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.941 -2.440 0.393 1.00 0.00 H new ATOM 528 N LEU A 33 12.176 -1.382 0.364 1.00 0.00 N ATOM 529 CA LEU A 33 10.829 -0.808 0.566 1.00 0.00 C ATOM 530 C LEU A 33 9.740 -1.915 0.568 1.00 0.00 C ATOM 531 O LEU A 33 8.819 -1.860 1.387 1.00 0.00 O ATOM 532 CB LEU A 33 10.544 0.292 -0.527 1.00 0.00 C ATOM 533 CG LEU A 33 9.608 1.483 -0.109 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.191 1.021 0.263 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.230 2.296 1.041 1.00 0.00 C ATOM 0 H LEU A 33 12.580 -1.165 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 33 10.794 -0.331 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.499 0.708 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.103 -0.198 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 33 9.515 2.125 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.588 1.885 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.735 0.522 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.243 0.327 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.562 3.114 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.379 1.649 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.190 2.702 0.722 1.00 0.00 H new ATOM 547 N LYS A 34 9.876 -2.913 -0.342 1.00 0.00 N ATOM 548 CA LYS A 34 8.811 -3.898 -0.647 1.00 0.00 C ATOM 549 C LYS A 34 8.332 -4.631 0.629 1.00 0.00 C ATOM 550 O LYS A 34 7.131 -4.682 0.893 1.00 0.00 O ATOM 551 CB LYS A 34 9.304 -4.914 -1.679 1.00 0.00 C ATOM 552 CG LYS A 34 9.456 -4.355 -3.087 1.00 0.00 C ATOM 553 CD LYS A 34 10.042 -5.393 -4.034 1.00 0.00 C ATOM 554 CE LYS A 34 10.143 -4.854 -5.453 1.00 0.00 C ATOM 555 NZ LYS A 34 10.817 -5.816 -6.367 1.00 0.00 N ATOM 0 H LYS A 34 10.728 -3.056 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 34 7.964 -3.350 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.266 -5.309 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.608 -5.753 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.484 -4.029 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.100 -3.476 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.031 -5.690 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.419 -6.288 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.144 -4.635 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.694 -3.914 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.631 -5.546 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.842 -5.801 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.450 -6.774 -6.195 1.00 0.00 H new ATOM 569 N GLU A 35 9.294 -5.157 1.420 1.00 0.00 N ATOM 570 CA GLU A 35 9.019 -5.904 2.670 1.00 0.00 C ATOM 571 C GLU A 35 8.316 -5.040 3.728 1.00 0.00 C ATOM 572 O GLU A 35 7.522 -5.548 4.536 1.00 0.00 O ATOM 573 CB GLU A 35 10.317 -6.470 3.249 1.00 0.00 C ATOM 574 CG GLU A 35 11.319 -5.414 3.694 1.00 0.00 C ATOM 575 CD GLU A 35 12.578 -6.043 4.220 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.676 -7.246 4.192 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.488 -5.319 4.548 1.00 0.00 O ATOM 0 H GLU A 35 10.289 -5.075 1.209 1.00 0.00 H new ATOM 0 HA GLU A 35 8.344 -6.719 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.074 -7.105 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.787 -7.107 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.559 -4.761 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.872 -4.788 4.467 1.00 0.00 H new ATOM 584 N LYS A 36 8.628 -3.737 3.702 1.00 0.00 N ATOM 585 CA LYS A 36 8.097 -2.756 4.649 1.00 0.00 C ATOM 586 C LYS A 36 6.601 -2.527 4.382 1.00 0.00 C ATOM 587 O LYS A 36 5.810 -2.448 5.316 1.00 0.00 O ATOM 588 CB LYS A 36 8.867 -1.438 4.554 1.00 0.00 C ATOM 589 CG LYS A 36 10.337 -1.539 4.939 1.00 0.00 C ATOM 590 CD LYS A 36 10.986 -0.165 5.015 1.00 0.00 C ATOM 591 CE LYS A 36 12.447 -0.263 5.425 1.00 0.00 C ATOM 592 NZ LYS A 36 13.331 -0.565 4.267 1.00 0.00 N ATOM 0 H LYS A 36 9.264 -3.333 3.014 1.00 0.00 H new ATOM 0 HA LYS A 36 8.220 -3.146 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.796 -1.063 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.385 -0.702 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.429 -2.040 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.865 -2.153 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.911 0.329 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.446 0.455 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.759 0.675 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.560 -1.041 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.257 -0.888 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.899 -1.311 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.456 0.293 3.693 1.00 0.00 H new ATOM 606 N LEU A 37 6.237 -2.450 3.088 1.00 0.00 N ATOM 607 CA LEU A 37 4.837 -2.383 2.642 1.00 0.00 C ATOM 608 C LEU A 37 4.061 -3.657 3.002 1.00 0.00 C ATOM 609 O LEU A 37 2.897 -3.571 3.376 1.00 0.00 O ATOM 610 CB LEU A 37 4.776 -2.139 1.129 1.00 0.00 C ATOM 611 CG LEU A 37 5.148 -0.719 0.683 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.285 -0.669 -0.833 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.087 0.260 1.161 1.00 0.00 C ATOM 0 H LEU A 37 6.910 -2.433 2.322 1.00 0.00 H new ATOM 0 HA LEU A 37 4.365 -1.550 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.444 -2.845 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.767 -2.360 0.782 1.00 0.00 H new ATOM 0 HG LEU A 37 6.105 -0.439 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.549 0.343 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.065 -1.361 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.339 -0.953 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.353 1.268 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.122 -0.012 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.025 0.227 2.249 1.00 0.00 H new ATOM 625 N LYS A 38 4.710 -4.835 2.883 1.00 0.00 N ATOM 626 CA LYS A 38 4.138 -6.118 3.345 1.00 0.00 C ATOM 627 C LYS A 38 3.808 -6.057 4.841 1.00 0.00 C ATOM 628 O LYS A 38 2.716 -6.445 5.251 1.00 0.00 O ATOM 629 CB LYS A 38 5.101 -7.273 3.066 1.00 0.00 C ATOM 630 CG LYS A 38 5.190 -7.678 1.600 1.00 0.00 C ATOM 631 CD LYS A 38 6.253 -8.746 1.386 1.00 0.00 C ATOM 632 CE LYS A 38 5.930 -10.013 2.163 1.00 0.00 C ATOM 633 NZ LYS A 38 6.882 -11.114 1.853 1.00 0.00 N ATOM 0 H LYS A 38 5.637 -4.924 2.468 1.00 0.00 H new ATOM 0 HA LYS A 38 3.216 -6.293 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.095 -6.993 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.790 -8.138 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.223 -8.052 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.422 -6.804 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.329 -8.978 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.224 -8.363 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.957 -9.800 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.915 -10.334 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.782 -11.869 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.675 -11.496 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.855 -10.747 1.873 1.00 0.00 H new ATOM 647 N LYS A 39 4.764 -5.545 5.640 1.00 0.00 N ATOM 648 CA LYS A 39 4.609 -5.446 7.095 1.00 0.00 C ATOM 649 C LYS A 39 3.481 -4.470 7.471 1.00 0.00 C ATOM 650 O LYS A 39 2.610 -4.821 8.256 1.00 0.00 O ATOM 651 CB LYS A 39 5.924 -5.008 7.743 1.00 0.00 C ATOM 652 CG LYS A 39 7.014 -6.071 7.735 1.00 0.00 C ATOM 653 CD LYS A 39 8.290 -5.560 8.387 1.00 0.00 C ATOM 654 CE LYS A 39 9.396 -6.604 8.334 1.00 0.00 C ATOM 655 NZ LYS A 39 10.657 -6.111 8.951 1.00 0.00 N ATOM 0 H LYS A 39 5.656 -5.192 5.294 1.00 0.00 H new ATOM 0 HA LYS A 39 4.341 -6.434 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.293 -4.123 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.727 -4.715 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.664 -6.958 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.223 -6.373 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.620 -4.652 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.089 -5.293 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.068 -7.506 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.584 -6.881 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.384 -6.852 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.985 -5.265 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.485 -5.871 9.948 1.00 0.00 H new ATOM 669 N VAL A 40 3.492 -3.268 6.881 1.00 0.00 N ATOM 670 CA VAL A 40 2.504 -2.215 7.176 1.00 0.00 C ATOM 671 C VAL A 40 1.070 -2.659 6.793 1.00 0.00 C ATOM 672 O VAL A 40 0.153 -2.513 7.591 1.00 0.00 O ATOM 673 CB VAL A 40 2.843 -0.908 6.437 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.685 0.074 6.534 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.113 -0.289 7.000 1.00 0.00 C ATOM 0 H VAL A 40 4.186 -2.995 6.185 1.00 0.00 H new ATOM 0 HA VAL A 40 2.545 -2.039 8.251 1.00 0.00 H new ATOM 0 HB VAL A 40 3.011 -1.142 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.942 0.992 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.796 -0.367 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.487 0.301 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.336 0.634 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.973 -0.070 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.942 -0.987 6.881 1.00 0.00 H new ATOM 685 N LEU A 41 0.912 -3.250 5.596 1.00 0.00 N ATOM 686 CA LEU A 41 -0.387 -3.769 5.123 1.00 0.00 C ATOM 687 C LEU A 41 -0.881 -4.936 6.006 1.00 0.00 C ATOM 688 O LEU A 41 -2.027 -4.917 6.442 1.00 0.00 O ATOM 689 CB LEU A 41 -0.273 -4.218 3.660 1.00 0.00 C ATOM 690 CG LEU A 41 -0.255 -3.084 2.628 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.146 -3.626 1.263 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.627 -2.429 2.567 1.00 0.00 C ATOM 0 H LEU A 41 1.675 -3.382 4.932 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.119 -2.965 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.638 -4.805 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.109 -4.880 3.434 1.00 0.00 H new ATOM 0 HG LEU A 41 0.478 -2.334 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.156 -2.813 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.140 -4.069 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.570 -4.385 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.613 -1.623 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.372 -3.171 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.880 -2.023 3.546 1.00 0.00 H new ATOM 704 N ASN A 42 0.005 -5.916 6.292 1.00 0.00 N ATOM 705 CA ASN A 42 -0.318 -7.085 7.159 1.00 0.00 C ATOM 706 C ASN A 42 -0.723 -6.659 8.588 1.00 0.00 C ATOM 707 O ASN A 42 -1.707 -7.159 9.145 1.00 0.00 O ATOM 708 CB ASN A 42 0.843 -8.061 7.223 1.00 0.00 C ATOM 709 CG ASN A 42 0.573 -9.267 8.080 1.00 0.00 C ATOM 710 OD1 ASN A 42 1.100 -9.394 9.191 1.00 0.00 O ATOM 711 ND2 ASN A 42 -0.180 -10.189 7.536 1.00 0.00 N ATOM 0 H ASN A 42 0.960 -5.925 5.934 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.174 -7.581 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.085 -8.391 6.213 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.721 -7.542 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.355 -11.063 8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.591 -10.034 6.616 1.00 0.00 H new ATOM 718 N GLU A 43 0.037 -5.707 9.154 1.00 0.00 N ATOM 719 CA GLU A 43 -0.235 -5.137 10.483 1.00 0.00 C ATOM 720 C GLU A 43 -1.539 -4.322 10.503 1.00 0.00 C ATOM 721 O GLU A 43 -2.264 -4.342 11.503 1.00 0.00 O ATOM 722 CB GLU A 43 0.934 -4.258 10.934 1.00 0.00 C ATOM 723 CG GLU A 43 2.182 -5.032 11.336 1.00 0.00 C ATOM 724 CD GLU A 43 3.338 -4.106 11.595 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.185 -2.926 11.398 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.338 -4.563 12.096 1.00 0.00 O ATOM 0 H GLU A 43 0.860 -5.310 8.701 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.352 -5.971 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.190 -3.572 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.611 -3.649 11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.976 -5.619 12.231 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.446 -5.736 10.547 1.00 0.00 H new ATOM 733 N ARG A 44 -1.818 -3.578 9.413 1.00 0.00 N ATOM 734 CA ARG A 44 -3.084 -2.808 9.283 1.00 0.00 C ATOM 735 C ARG A 44 -4.274 -3.781 9.236 1.00 0.00 C ATOM 736 O ARG A 44 -5.339 -3.517 9.796 1.00 0.00 O ATOM 737 CB ARG A 44 -3.082 -1.864 8.091 1.00 0.00 C ATOM 738 CG ARG A 44 -4.326 -1.001 7.956 1.00 0.00 C ATOM 739 CD ARG A 44 -4.381 0.146 8.899 1.00 0.00 C ATOM 740 NE ARG A 44 -4.991 -0.158 10.183 1.00 0.00 N ATOM 741 CZ ARG A 44 -5.126 0.723 11.194 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.664 1.950 11.089 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.714 0.314 12.304 1.00 0.00 N ATOM 0 H ARG A 44 -1.192 -3.491 8.612 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.179 -2.169 10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.211 -1.212 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.965 -2.452 7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.381 -0.620 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.206 -1.626 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.367 0.509 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.936 0.959 8.431 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.342 -1.105 10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.195 2.247 10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.774 2.605 11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.051 -0.646 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.831 0.958 13.086 1.00 0.00 H new ATOM 757 N MET A 45 -4.057 -4.924 8.564 1.00 0.00 N ATOM 758 CA MET A 45 -5.096 -5.927 8.311 1.00 0.00 C ATOM 759 C MET A 45 -5.270 -6.886 9.495 1.00 0.00 C ATOM 760 O MET A 45 -6.248 -7.620 9.538 1.00 0.00 O ATOM 761 CB MET A 45 -4.765 -6.712 7.043 1.00 0.00 C ATOM 762 CG MET A 45 -4.843 -5.898 5.760 1.00 0.00 C ATOM 763 SD MET A 45 -6.474 -5.172 5.494 1.00 0.00 S ATOM 764 CE MET A 45 -7.437 -6.635 5.123 1.00 0.00 C ATOM 0 H MET A 45 -3.147 -5.177 8.179 1.00 0.00 H new ATOM 0 HA MET A 45 -6.040 -5.398 8.178 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.760 -7.123 7.137 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.449 -7.557 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.097 -5.104 5.793 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.592 -6.537 4.913 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.492 -6.369 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.108 -7.056 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.298 -7.372 5.914 1.00 0.00 H new ATOM 774 N ASP A 46 -4.336 -6.859 10.460 1.00 0.00 N ATOM 775 CA ASP A 46 -4.431 -7.656 11.697 1.00 0.00 C ATOM 776 C ASP A 46 -5.716 -7.301 12.518 1.00 0.00 C ATOM 777 O ASP A 46 -6.531 -8.194 12.765 1.00 0.00 O ATOM 778 CB ASP A 46 -3.179 -7.447 12.552 1.00 0.00 C ATOM 779 CG ASP A 46 -1.959 -8.229 12.084 1.00 0.00 C ATOM 780 OD1 ASP A 46 -2.111 -9.079 11.238 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.868 -7.868 12.456 1.00 0.00 O ATOM 0 H ASP A 46 -3.494 -6.285 10.406 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.503 -8.706 11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.933 -6.385 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.405 -7.731 13.580 1.00 0.00 H new ATOM 786 N PRO A 47 -5.959 -6.000 12.923 1.00 0.00 N ATOM 787 CA PRO A 47 -7.217 -5.630 13.641 1.00 0.00 C ATOM 788 C PRO A 47 -8.469 -5.777 12.744 1.00 0.00 C ATOM 789 O PRO A 47 -9.578 -5.946 13.253 1.00 0.00 O ATOM 790 CB PRO A 47 -6.978 -4.159 14.059 1.00 0.00 C ATOM 791 CG PRO A 47 -5.968 -3.647 13.079 1.00 0.00 C ATOM 792 CD PRO A 47 -5.057 -4.817 12.787 1.00 0.00 C ATOM 0 HA PRO A 47 -7.418 -6.283 14.490 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.901 -3.580 14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.607 -4.093 15.082 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.450 -3.289 12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.409 -2.809 13.494 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.627 -4.752 11.787 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.225 -4.863 13.489 1.00 0.00 H new ATOM 800 N ILE A 48 -8.269 -5.744 11.406 1.00 0.00 N ATOM 801 CA ILE A 48 -9.356 -5.905 10.410 1.00 0.00 C ATOM 802 C ILE A 48 -9.954 -7.333 10.492 1.00 0.00 C ATOM 803 O ILE A 48 -11.147 -7.539 10.227 1.00 0.00 O ATOM 804 CB ILE A 48 -8.861 -5.640 8.977 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.286 -4.225 8.863 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.990 -5.841 7.978 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.292 -3.133 9.148 1.00 0.00 C ATOM 0 H ILE A 48 -7.350 -5.605 10.986 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.124 -5.169 10.647 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.069 -6.353 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.450 -4.126 9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.886 -4.085 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.622 -5.649 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.355 -6.866 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.803 -5.152 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.811 -2.160 9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.117 -3.205 8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.674 -3.246 10.163 1.00 0.00 H new ATOM 819 N LYS A 49 -9.105 -8.305 10.875 1.00 0.00 N ATOM 820 CA LYS A 49 -9.524 -9.692 11.137 1.00 0.00 C ATOM 821 C LYS A 49 -10.378 -9.761 12.414 1.00 0.00 C ATOM 822 O LYS A 49 -11.387 -10.468 12.459 1.00 0.00 O ATOM 823 CB LYS A 49 -8.308 -10.611 11.263 1.00 0.00 C ATOM 824 CG LYS A 49 -7.563 -10.851 9.956 1.00 0.00 C ATOM 825 CD LYS A 49 -6.349 -11.744 10.167 1.00 0.00 C ATOM 826 CE LYS A 49 -5.586 -11.957 8.868 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.381 -12.809 9.064 1.00 0.00 N ATOM 0 H LYS A 49 -8.106 -8.148 11.011 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.126 -10.032 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.616 -10.181 11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.633 -11.571 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.235 -11.312 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.246 -9.897 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.689 -11.295 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.668 -12.707 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.243 -12.422 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.285 -10.991 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.890 -12.930 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.741 -12.354 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.669 -13.740 9.428 1.00 0.00 H new ATOM 841 N LYS A 50 -9.953 -9.004 13.441 1.00 0.00 N ATOM 842 CA LYS A 50 -10.689 -8.866 14.713 1.00 0.00 C ATOM 843 C LYS A 50 -12.060 -8.183 14.442 1.00 0.00 C ATOM 844 O LYS A 50 -13.073 -8.517 15.073 1.00 0.00 O ATOM 845 CB LYS A 50 -9.876 -8.065 15.729 1.00 0.00 C ATOM 846 CG LYS A 50 -8.606 -8.758 16.205 1.00 0.00 C ATOM 847 CD LYS A 50 -7.836 -7.888 17.189 1.00 0.00 C ATOM 848 CE LYS A 50 -6.503 -8.520 17.562 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.726 -7.667 18.500 1.00 0.00 N ATOM 0 H LYS A 50 -9.086 -8.468 13.413 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.859 -9.856 15.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.608 -7.106 15.286 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.505 -7.853 16.593 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.862 -9.706 16.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.973 -8.990 15.349 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.665 -6.905 16.751 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.433 -7.737 18.088 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.679 -9.494 18.018 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.918 -8.692 16.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.825 -8.134 18.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.536 -6.746 18.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.273 -7.524 19.373 1.00 0.00 H new ATOM 863 N LEU A 51 -12.082 -7.251 13.467 1.00 0.00 N ATOM 864 CA LEU A 51 -13.322 -6.559 13.042 1.00 0.00 C ATOM 865 C LEU A 51 -14.172 -7.506 12.175 1.00 0.00 C ATOM 866 O LEU A 51 -15.394 -7.355 12.086 1.00 0.00 O ATOM 867 CB LEU A 51 -12.990 -5.273 12.275 1.00 0.00 C ATOM 868 CG LEU A 51 -12.305 -4.178 13.102 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.935 -3.002 12.207 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.232 -3.731 14.223 1.00 0.00 C ATOM 0 H LEU A 51 -11.250 -6.957 12.955 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.894 -6.281 13.928 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.346 -5.527 11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.913 -4.868 11.859 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.389 -4.574 13.541 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.449 -2.230 12.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.254 -3.339 11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.837 -2.594 11.751 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.744 -2.953 14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.155 -3.339 13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.461 -4.581 14.866 1.00 0.00 H new ATOM 882 N GLY A 52 -13.497 -8.489 11.561 1.00 0.00 N ATOM 883 CA GLY A 52 -14.164 -9.578 10.859 1.00 0.00 C ATOM 884 C GLY A 52 -14.617 -9.202 9.463 1.00 0.00 C ATOM 885 O GLY A 52 -15.659 -9.685 8.995 1.00 0.00 O ATOM 0 H GLY A 52 -12.479 -8.545 11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.487 -10.430 10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.028 -9.900 11.440 1.00 0.00 H new ATOM 889 N CYS A 53 -13.854 -8.311 8.807 1.00 0.00 N ATOM 890 CA CYS A 53 -14.135 -7.904 7.425 1.00 0.00 C ATOM 891 C CYS A 53 -13.554 -8.961 6.464 1.00 0.00 C ATOM 892 O CYS A 53 -12.367 -9.292 6.552 1.00 0.00 O ATOM 893 CB CYS A 53 -13.561 -6.496 7.117 1.00 0.00 C ATOM 894 SG CYS A 53 -14.493 -5.117 7.866 1.00 0.00 S ATOM 0 H CYS A 53 -13.036 -7.859 9.216 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.214 -7.841 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.530 -6.453 7.468 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.536 -6.356 6.036 1.00 0.00 H new ATOM 899 N LYS A 54 -14.415 -9.488 5.563 1.00 0.00 N ATOM 900 CA LYS A 54 -14.036 -10.481 4.525 1.00 0.00 C ATOM 901 C LYS A 54 -13.434 -9.786 3.285 1.00 0.00 C ATOM 902 O LYS A 54 -12.578 -10.346 2.600 1.00 0.00 O ATOM 903 CB LYS A 54 -15.246 -11.323 4.116 1.00 0.00 C ATOM 904 CG LYS A 54 -15.769 -12.245 5.210 1.00 0.00 C ATOM 905 CD LYS A 54 -16.954 -13.065 4.723 1.00 0.00 C ATOM 906 CE LYS A 54 -17.477 -13.986 5.815 1.00 0.00 C ATOM 907 NZ LYS A 54 -18.633 -14.799 5.351 1.00 0.00 N ATOM 0 H LYS A 54 -15.403 -9.235 5.534 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.279 -11.137 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.050 -10.655 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.978 -11.925 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.972 -12.913 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.065 -11.653 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.751 -12.397 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.658 -13.657 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.677 -14.649 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.775 -13.392 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.959 -15.413 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.407 -14.168 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.343 -15.386 4.543 1.00 0.00 H new ATOM 921 N ARG A 55 -13.899 -8.549 3.041 1.00 0.00 N ATOM 922 CA ARG A 55 -13.489 -7.717 1.904 1.00 0.00 C ATOM 923 C ARG A 55 -13.424 -6.250 2.370 1.00 0.00 C ATOM 924 O ARG A 55 -14.342 -5.762 3.047 1.00 0.00 O ATOM 925 CB ARG A 55 -14.384 -7.898 0.687 1.00 0.00 C ATOM 926 CG ARG A 55 -13.943 -7.132 -0.550 1.00 0.00 C ATOM 927 CD ARG A 55 -14.752 -7.411 -1.764 1.00 0.00 C ATOM 928 NE ARG A 55 -14.396 -6.607 -2.923 1.00 0.00 N ATOM 929 CZ ARG A 55 -14.830 -6.841 -4.177 1.00 0.00 C ATOM 930 NH1 ARG A 55 -15.602 -7.870 -4.447 1.00 0.00 N ATOM 931 NH2 ARG A 55 -14.437 -6.019 -5.136 1.00 0.00 N ATOM 0 H ARG A 55 -14.585 -8.093 3.643 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.501 -8.036 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.430 -8.959 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.395 -7.587 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.987 -6.064 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.901 -7.373 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.646 -8.465 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.804 -7.244 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.775 -5.811 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.882 -8.507 -3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.921 -8.031 -5.402 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.823 -5.235 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.748 -6.169 -6.096 1.00 0.00 H new ATOM 945 N VAL A 56 -12.356 -5.552 1.993 1.00 0.00 N ATOM 946 CA VAL A 56 -12.089 -4.162 2.412 1.00 0.00 C ATOM 947 C VAL A 56 -11.585 -3.356 1.213 1.00 0.00 C ATOM 948 O VAL A 56 -11.134 -3.934 0.232 1.00 0.00 O ATOM 949 CB VAL A 56 -11.053 -4.087 3.550 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.557 -4.827 4.779 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.719 -4.660 3.095 1.00 0.00 C ATOM 0 H VAL A 56 -11.636 -5.934 1.379 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.024 -3.745 2.787 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.907 -3.039 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.813 -4.764 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.489 -4.375 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.731 -5.873 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.999 -4.599 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.851 -5.702 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.350 -4.090 2.242 1.00 0.00 H new ATOM 961 N ARG A 57 -11.682 -2.028 1.294 1.00 0.00 N ATOM 962 CA ARG A 57 -11.132 -1.123 0.272 1.00 0.00 C ATOM 963 C ARG A 57 -9.953 -0.349 0.880 1.00 0.00 C ATOM 964 O ARG A 57 -10.099 0.288 1.929 1.00 0.00 O ATOM 965 CB ARG A 57 -12.180 -0.196 -0.324 1.00 0.00 C ATOM 966 CG ARG A 57 -11.660 0.758 -1.388 1.00 0.00 C ATOM 967 CD ARG A 57 -12.718 1.374 -2.229 1.00 0.00 C ATOM 968 NE ARG A 57 -13.460 0.430 -3.050 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.580 0.729 -3.736 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.112 1.930 -3.675 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.145 -0.225 -4.456 1.00 0.00 N ATOM 0 H ARG A 57 -12.142 -1.546 2.066 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.777 -1.722 -0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.976 -0.802 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.627 0.388 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.092 1.551 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.967 0.219 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.418 1.902 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.260 2.120 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.108 -0.525 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.676 2.652 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.960 2.139 -4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.732 -1.157 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.994 -0.029 -4.986 1.00 0.00 H new ATOM 985 N ILE A 58 -8.775 -0.454 0.242 1.00 0.00 N ATOM 986 CA ILE A 58 -7.536 0.186 0.716 1.00 0.00 C ATOM 987 C ILE A 58 -6.994 1.136 -0.371 1.00 0.00 C ATOM 988 O ILE A 58 -6.728 0.712 -1.497 1.00 0.00 O ATOM 989 CB ILE A 58 -6.458 -0.850 1.082 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.968 -1.787 2.178 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.180 -0.153 1.523 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.067 -2.974 2.435 1.00 0.00 C ATOM 0 H ILE A 58 -8.655 -0.987 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.777 0.748 1.618 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.235 -1.447 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.081 -1.221 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.959 -2.148 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.428 -0.900 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.809 0.473 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.386 0.467 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.495 -3.592 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.974 -3.564 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.082 -2.623 2.743 1.00 0.00 H new ATOM 1004 N SER A 59 -6.866 2.424 -0.029 1.00 0.00 N ATOM 1005 CA SER A 59 -6.310 3.449 -0.910 1.00 0.00 C ATOM 1006 C SER A 59 -4.938 3.884 -0.350 1.00 0.00 C ATOM 1007 O SER A 59 -4.818 4.189 0.842 1.00 0.00 O ATOM 1008 CB SER A 59 -7.256 4.629 -1.023 1.00 0.00 C ATOM 1009 OG SER A 59 -8.404 4.314 -1.763 1.00 0.00 O ATOM 0 H SER A 59 -7.151 2.785 0.881 1.00 0.00 H new ATOM 0 HA SER A 59 -6.179 3.045 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.547 4.957 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.739 5.464 -1.495 1.00 0.00 H new ATOM 0 HG SER A 59 -8.988 5.100 -1.811 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.901 3.844 -1.200 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.516 4.141 -0.794 1.00 0.00 C ATOM 1017 C ILE A 60 -1.979 5.324 -1.623 1.00 0.00 C ATOM 1018 O ILE A 60 -2.139 5.352 -2.852 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.590 2.923 -0.972 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.051 1.766 -0.084 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.150 3.300 -0.658 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.294 0.479 -0.315 1.00 0.00 C ATOM 0 H ILE A 60 -3.997 3.605 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.527 4.397 0.265 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.641 2.598 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.943 2.057 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.112 1.588 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.491 2.428 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.174 4.093 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.082 3.649 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.678 -0.294 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.422 0.162 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.235 0.639 -0.113 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.374 6.309 -0.940 1.00 0.00 N ATOM 1035 CA ARG A 61 -0.732 7.472 -1.581 1.00 0.00 C ATOM 1036 C ARG A 61 0.737 7.548 -1.152 1.00 0.00 C ATOM 1037 O ARG A 61 1.047 7.464 0.039 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.468 8.776 -1.310 1.00 0.00 C ATOM 1039 CG ARG A 61 -0.859 10.002 -1.970 1.00 0.00 C ATOM 1040 CD ARG A 61 -1.749 11.193 -1.989 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.900 11.071 -2.870 1.00 0.00 N ATOM 1042 CZ ARG A 61 -3.997 11.850 -2.805 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -4.115 12.780 -1.884 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -4.966 11.637 -3.679 1.00 0.00 N ATOM 0 H ARG A 61 -1.315 6.323 0.078 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.780 7.329 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.499 8.672 -1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.502 8.940 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.063 10.260 -1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.586 9.751 -2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.102 11.384 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.166 12.062 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.875 10.345 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.369 12.921 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.953 13.361 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.870 10.899 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.809 12.210 -3.655 1.00 0.00 H new ATOM 1058 N VAL A 62 1.634 7.684 -2.140 1.00 0.00 N ATOM 1059 CA VAL A 62 3.088 7.701 -1.921 1.00 0.00 C ATOM 1060 C VAL A 62 3.619 9.133 -2.146 1.00 0.00 C ATOM 1061 O VAL A 62 3.082 9.872 -2.984 1.00 0.00 O ATOM 1062 CB VAL A 62 3.825 6.723 -2.855 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.857 7.266 -4.276 1.00 0.00 C ATOM 1064 CG2 VAL A 62 5.238 6.468 -2.353 1.00 0.00 C ATOM 0 H VAL A 62 1.369 7.786 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 62 3.277 7.381 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 62 3.284 5.777 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.381 6.562 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.837 7.400 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.375 8.225 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.743 5.775 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.788 7.409 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.197 6.038 -1.352 1.00 0.00 H new ATOM 1074 N LYS A 63 4.638 9.551 -1.387 1.00 0.00 N ATOM 1075 CA LYS A 63 5.184 10.909 -1.500 1.00 0.00 C ATOM 1076 C LYS A 63 6.119 10.933 -2.703 1.00 0.00 C ATOM 1077 O LYS A 63 7.042 10.103 -2.794 1.00 0.00 O ATOM 1078 CB LYS A 63 5.922 11.327 -0.227 1.00 0.00 C ATOM 1079 CG LYS A 63 6.443 12.758 -0.243 1.00 0.00 C ATOM 1080 CD LYS A 63 7.106 13.121 1.077 1.00 0.00 C ATOM 1081 CE LYS A 63 7.625 14.552 1.063 1.00 0.00 C ATOM 1082 NZ LYS A 63 8.283 14.917 2.346 1.00 0.00 N ATOM 0 H LYS A 63 5.101 8.970 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 63 4.371 11.623 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.251 11.207 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.761 10.649 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.159 12.877 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.620 13.445 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.391 13.000 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.930 12.435 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.334 14.673 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.798 15.236 0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.622 15.899 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.600 14.827 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.088 14.281 2.517 1.00 0.00 H new ATOM 1096 N HIS A 64 5.855 11.863 -3.631 1.00 0.00 N ATOM 1097 CA HIS A 64 6.573 11.947 -4.900 1.00 0.00 C ATOM 1098 C HIS A 64 7.724 12.950 -4.789 1.00 0.00 C ATOM 1099 O HIS A 64 7.550 14.032 -4.223 1.00 0.00 O ATOM 1100 CB HIS A 64 5.627 12.345 -6.037 1.00 0.00 C ATOM 1101 CG HIS A 64 4.440 11.444 -6.177 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.505 10.221 -6.809 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.158 11.589 -5.766 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.313 9.651 -6.781 1.00 0.00 C ATOM 1105 NE2 HIS A 64 2.479 10.460 -6.154 1.00 0.00 N ATOM 0 H HIS A 64 5.136 12.577 -3.518 1.00 0.00 H new ATOM 0 HA HIS A 64 6.983 10.963 -5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.280 13.364 -5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.182 12.348 -6.975 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.747 12.434 -5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.064 8.687 -7.200 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.490 10.276 -5.985 1.00 0.00 H new ATOM 1113 N SER A 65 8.893 12.556 -5.308 1.00 0.00 N ATOM 1114 CA SER A 65 10.117 13.367 -5.275 1.00 0.00 C ATOM 1115 C SER A 65 9.868 14.794 -5.826 1.00 0.00 C ATOM 1116 O SER A 65 10.343 15.777 -5.256 1.00 0.00 O ATOM 1117 CB SER A 65 11.212 12.677 -6.064 1.00 0.00 C ATOM 1118 OG SER A 65 11.596 11.462 -5.479 1.00 0.00 O ATOM 0 H SER A 65 9.018 11.654 -5.768 1.00 0.00 H new ATOM 0 HA SER A 65 10.431 13.467 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.866 12.496 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.078 13.335 -6.134 1.00 0.00 H new ATOM 0 HG SER A 65 10.868 10.812 -5.567 1.00 0.00 H new ATOM 1124 N ASP A 66 9.094 14.877 -6.921 1.00 0.00 N ATOM 1125 CA ASP A 66 8.767 16.150 -7.623 1.00 0.00 C ATOM 1126 C ASP A 66 7.492 15.962 -8.462 1.00 0.00 C ATOM 1127 O ASP A 66 7.050 14.825 -8.664 1.00 0.00 O ATOM 1128 CB ASP A 66 9.926 16.606 -8.513 1.00 0.00 C ATOM 1129 CG ASP A 66 9.931 18.097 -8.824 1.00 0.00 C ATOM 1130 OD1 ASP A 66 9.043 18.780 -8.373 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.900 18.565 -9.372 1.00 0.00 O ATOM 0 H ASP A 66 8.668 14.058 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 66 8.599 16.924 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.866 16.345 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.888 16.052 -9.451 1.00 0.00 H new ATOM 1136 N ALA A 67 6.944 17.088 -8.973 1.00 0.00 N ATOM 1137 CA ALA A 67 5.720 17.108 -9.794 1.00 0.00 C ATOM 1138 C ALA A 67 5.924 16.340 -11.110 1.00 0.00 C ATOM 1139 O ALA A 67 5.096 15.507 -11.487 1.00 0.00 O ATOM 1140 CB ALA A 67 5.304 18.559 -10.075 1.00 0.00 C ATOM 0 H ALA A 67 7.345 18.014 -8.824 1.00 0.00 H new ATOM 0 HA ALA A 67 4.924 16.611 -9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.399 18.567 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.113 19.072 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.104 19.070 -10.610 1.00 0.00 H new ATOM 1146 N ALA A 68 7.064 16.618 -11.781 1.00 0.00 N ATOM 1147 CA ALA A 68 7.482 15.907 -13.012 1.00 0.00 C ATOM 1148 C ALA A 68 7.777 14.424 -12.732 1.00 0.00 C ATOM 1149 O ALA A 68 7.522 13.567 -13.579 1.00 0.00 O ATOM 1150 CB ALA A 68 8.714 16.590 -13.634 1.00 0.00 C ATOM 0 H ALA A 68 7.720 17.341 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 68 6.656 15.955 -13.721 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.009 16.056 -14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.469 17.622 -13.886 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.537 16.576 -12.920 1.00 0.00 H new ATOM 1156 N GLU A 69 8.324 14.145 -11.537 1.00 0.00 N ATOM 1157 CA GLU A 69 8.620 12.773 -11.094 1.00 0.00 C ATOM 1158 C GLU A 69 7.345 11.949 -10.837 1.00 0.00 C ATOM 1159 O GLU A 69 7.411 10.752 -10.947 1.00 0.00 O ATOM 1160 CB GLU A 69 9.481 12.804 -9.829 1.00 0.00 C ATOM 1161 CG GLU A 69 10.895 13.327 -10.045 1.00 0.00 C ATOM 1162 CD GLU A 69 11.648 12.476 -11.029 1.00 0.00 C ATOM 1163 OE1 GLU A 69 11.710 11.286 -10.833 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.065 12.997 -12.036 1.00 0.00 O ATOM 0 H GLU A 69 8.572 14.861 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 69 9.165 12.286 -11.903 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.987 13.425 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.538 11.796 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.854 14.354 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.428 13.345 -9.094 1.00 0.00 H new ATOM 1171 N GLU A 70 6.204 12.607 -10.525 1.00 0.00 N ATOM 1172 CA GLU A 70 4.949 11.939 -10.051 1.00 0.00 C ATOM 1173 C GLU A 70 4.522 10.711 -10.903 1.00 0.00 C ATOM 1174 O GLU A 70 4.122 9.662 -10.357 1.00 0.00 O ATOM 1175 CB GLU A 70 3.802 12.952 -10.020 1.00 0.00 C ATOM 1176 CG GLU A 70 3.882 13.957 -8.880 1.00 0.00 C ATOM 1177 CD GLU A 70 2.758 14.952 -8.950 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.001 14.901 -9.890 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.587 15.692 -8.009 1.00 0.00 O ATOM 0 H GLU A 70 6.118 13.621 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 70 5.170 11.563 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.786 13.494 -10.966 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.858 12.412 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.846 13.431 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.837 14.481 -8.920 1.00 0.00 H new ATOM 1186 N LYS A 71 4.645 10.858 -12.230 1.00 0.00 N ATOM 1187 CA LYS A 71 4.277 9.811 -13.207 1.00 0.00 C ATOM 1188 C LYS A 71 5.189 8.577 -13.049 1.00 0.00 C ATOM 1189 O LYS A 71 4.720 7.427 -12.989 1.00 0.00 O ATOM 1190 CB LYS A 71 4.359 10.351 -14.635 1.00 0.00 C ATOM 1191 CG LYS A 71 3.290 11.378 -14.982 1.00 0.00 C ATOM 1192 CD LYS A 71 3.441 11.873 -16.413 1.00 0.00 C ATOM 1193 CE LYS A 71 2.396 12.927 -16.748 1.00 0.00 C ATOM 1194 NZ LYS A 71 2.544 13.435 -18.138 1.00 0.00 N ATOM 0 H LYS A 71 5.004 11.709 -12.663 1.00 0.00 H new ATOM 0 HA LYS A 71 3.248 9.510 -13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.340 10.802 -14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.283 9.516 -15.331 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.302 10.936 -14.850 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.356 12.221 -14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.438 12.290 -16.552 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.347 11.034 -17.102 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.400 12.503 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.481 13.758 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.813 14.151 -18.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.485 13.863 -18.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.437 12.647 -18.809 1.00 0.00 H new ATOM 1208 N LYS A 72 6.501 8.857 -12.998 1.00 0.00 N ATOM 1209 CA LYS A 72 7.562 7.845 -12.865 1.00 0.00 C ATOM 1210 C LYS A 72 7.510 7.203 -11.469 1.00 0.00 C ATOM 1211 O LYS A 72 7.707 6.013 -11.346 1.00 0.00 O ATOM 1212 CB LYS A 72 8.937 8.465 -13.114 1.00 0.00 C ATOM 1213 CG LYS A 72 9.193 8.868 -14.560 1.00 0.00 C ATOM 1214 CD LYS A 72 10.578 9.476 -14.728 1.00 0.00 C ATOM 1215 CE LYS A 72 10.827 9.896 -16.170 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.170 10.512 -16.346 1.00 0.00 N ATOM 0 H LYS A 72 6.861 9.810 -13.049 1.00 0.00 H new ATOM 0 HA LYS A 72 7.396 7.072 -13.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.046 9.345 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.704 7.754 -12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.096 7.995 -15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.437 9.586 -14.879 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.680 10.341 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.334 8.753 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.738 9.027 -16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.059 10.605 -16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.300 10.784 -17.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.246 11.357 -15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.904 9.827 -16.076 1.00 0.00 H new ATOM 1230 N GLU A 73 7.202 8.025 -10.449 1.00 0.00 N ATOM 1231 CA GLU A 73 7.103 7.618 -9.033 1.00 0.00 C ATOM 1232 C GLU A 73 5.914 6.688 -8.832 1.00 0.00 C ATOM 1233 O GLU A 73 6.000 5.716 -8.085 1.00 0.00 O ATOM 1234 CB GLU A 73 6.975 8.837 -8.118 1.00 0.00 C ATOM 1235 CG GLU A 73 8.266 9.622 -7.932 1.00 0.00 C ATOM 1236 CD GLU A 73 9.072 9.084 -6.784 1.00 0.00 C ATOM 1237 OE1 GLU A 73 9.559 7.984 -6.889 1.00 0.00 O ATOM 1238 OE2 GLU A 73 9.298 9.815 -5.848 1.00 0.00 O ATOM 0 H GLU A 73 7.010 9.017 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 73 8.018 7.088 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.214 9.503 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.621 8.507 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.857 9.576 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.033 10.672 -7.755 1.00 0.00 H new ATOM 1245 N ALA A 74 4.793 7.036 -9.491 1.00 0.00 N ATOM 1246 CA ALA A 74 3.569 6.231 -9.449 1.00 0.00 C ATOM 1247 C ALA A 74 3.805 4.837 -10.078 1.00 0.00 C ATOM 1248 O ALA A 74 3.453 3.823 -9.485 1.00 0.00 O ATOM 1249 CB ALA A 74 2.428 6.969 -10.160 1.00 0.00 C ATOM 0 H ALA A 74 4.715 7.878 -10.062 1.00 0.00 H new ATOM 0 HA ALA A 74 3.286 6.081 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.523 6.362 -10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.246 7.922 -9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.703 7.148 -11.200 1.00 0.00 H new ATOM 1255 N LYS A 75 4.451 4.827 -11.262 1.00 0.00 N ATOM 1256 CA LYS A 75 4.859 3.597 -11.986 1.00 0.00 C ATOM 1257 C LYS A 75 5.893 2.759 -11.193 1.00 0.00 C ATOM 1258 O LYS A 75 5.837 1.522 -11.186 1.00 0.00 O ATOM 1259 CB LYS A 75 5.426 3.956 -13.360 1.00 0.00 C ATOM 1260 CG LYS A 75 4.389 4.442 -14.363 1.00 0.00 C ATOM 1261 CD LYS A 75 5.028 4.779 -15.701 1.00 0.00 C ATOM 1262 CE LYS A 75 3.999 5.306 -16.691 1.00 0.00 C ATOM 1263 NZ LYS A 75 4.615 5.664 -17.996 1.00 0.00 N ATOM 0 H LYS A 75 4.709 5.683 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 75 3.965 2.985 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.183 4.730 -13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.929 3.081 -13.772 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.629 3.674 -14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.883 5.323 -13.968 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.810 5.524 -15.555 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.508 3.890 -16.111 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.228 4.552 -16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.506 6.182 -16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.880 6.018 -18.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.333 6.402 -17.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.063 4.822 -18.411 1.00 0.00 H new ATOM 1277 N LYS A 76 6.850 3.466 -10.576 1.00 0.00 N ATOM 1278 CA LYS A 76 7.922 2.900 -9.728 1.00 0.00 C ATOM 1279 C LYS A 76 7.306 2.134 -8.557 1.00 0.00 C ATOM 1280 O LYS A 76 7.568 0.942 -8.346 1.00 0.00 O ATOM 1281 CB LYS A 76 8.853 3.998 -9.209 1.00 0.00 C ATOM 1282 CG LYS A 76 10.000 3.493 -8.344 1.00 0.00 C ATOM 1283 CD LYS A 76 10.706 4.640 -7.636 1.00 0.00 C ATOM 1284 CE LYS A 76 11.430 5.540 -8.626 1.00 0.00 C ATOM 1285 NZ LYS A 76 11.968 6.765 -7.974 1.00 0.00 N ATOM 0 H LYS A 76 6.906 4.482 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 76 8.515 2.216 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.267 4.539 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.266 4.712 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.618 2.787 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.714 2.951 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.979 5.226 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.420 4.241 -6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.247 4.987 -9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.745 5.825 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.439 7.359 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.188 7.298 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.654 6.495 -7.240 1.00 0.00 H new ATOM 1299 N PHE A 77 6.440 2.856 -7.849 1.00 0.00 N ATOM 1300 CA PHE A 77 5.743 2.365 -6.669 1.00 0.00 C ATOM 1301 C PHE A 77 4.707 1.302 -7.064 1.00 0.00 C ATOM 1302 O PHE A 77 4.449 0.390 -6.294 1.00 0.00 O ATOM 1303 CB PHE A 77 5.084 3.567 -5.944 1.00 0.00 C ATOM 1304 CG PHE A 77 4.725 3.297 -4.492 1.00 0.00 C ATOM 1305 CD1 PHE A 77 5.733 3.125 -3.543 1.00 0.00 C ATOM 1306 CD2 PHE A 77 3.399 3.222 -4.071 1.00 0.00 C ATOM 1307 CE1 PHE A 77 5.423 2.883 -2.227 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.094 2.981 -2.749 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.104 2.811 -1.832 1.00 0.00 C ATOM 0 H PHE A 77 6.200 3.818 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 77 6.448 1.888 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.762 4.419 -5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.181 3.852 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.768 3.183 -3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.602 3.354 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.212 2.749 -1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.063 2.926 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.863 2.620 -0.797 1.00 0.00 H new ATOM 1319 N ALA A 78 4.143 1.435 -8.281 1.00 0.00 N ATOM 1320 CA ALA A 78 3.228 0.443 -8.862 1.00 0.00 C ATOM 1321 C ALA A 78 3.918 -0.914 -9.024 1.00 0.00 C ATOM 1322 O ALA A 78 3.322 -1.949 -8.731 1.00 0.00 O ATOM 1323 CB ALA A 78 2.698 0.929 -10.215 1.00 0.00 C ATOM 0 H ALA A 78 4.312 2.238 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 78 2.389 0.321 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.022 0.182 -10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.162 1.868 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.533 1.083 -10.899 1.00 0.00 H new ATOM 1329 N ALA A 79 5.177 -0.890 -9.499 1.00 0.00 N ATOM 1330 CA ALA A 79 6.020 -2.089 -9.618 1.00 0.00 C ATOM 1331 C ALA A 79 6.359 -2.671 -8.235 1.00 0.00 C ATOM 1332 O ALA A 79 6.354 -3.893 -8.049 1.00 0.00 O ATOM 1333 CB ALA A 79 7.304 -1.750 -10.397 1.00 0.00 C ATOM 0 H ALA A 79 5.637 -0.035 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 79 5.464 -2.849 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.924 -2.642 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.042 -1.394 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.856 -0.973 -9.868 1.00 0.00 H new ATOM 1339 N ILE A 80 6.645 -1.770 -7.272 1.00 0.00 N ATOM 1340 CA ILE A 80 6.876 -2.148 -5.862 1.00 0.00 C ATOM 1341 C ILE A 80 5.626 -2.839 -5.269 1.00 0.00 C ATOM 1342 O ILE A 80 5.728 -3.948 -4.742 1.00 0.00 O ATOM 1343 CB ILE A 80 7.237 -0.926 -4.998 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.549 -0.301 -5.479 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.338 -1.322 -3.532 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.756 -1.187 -5.281 1.00 0.00 C ATOM 0 H ILE A 80 6.722 -0.768 -7.448 1.00 0.00 H new ATOM 0 HA ILE A 80 7.717 -2.842 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 80 6.445 -0.184 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.458 -0.058 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.709 0.638 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.594 -0.446 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.381 -1.723 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.111 -2.081 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.647 -0.675 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.874 -1.409 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.620 -2.117 -5.834 1.00 0.00 H new ATOM 1358 N LEU A 81 4.443 -2.199 -5.423 1.00 0.00 N ATOM 1359 CA LEU A 81 3.162 -2.717 -4.893 1.00 0.00 C ATOM 1360 C LEU A 81 2.770 -4.030 -5.588 1.00 0.00 C ATOM 1361 O LEU A 81 2.202 -4.914 -4.960 1.00 0.00 O ATOM 1362 CB LEU A 81 2.050 -1.674 -5.065 1.00 0.00 C ATOM 1363 CG LEU A 81 2.136 -0.468 -4.120 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.066 0.554 -4.482 1.00 0.00 C ATOM 1365 CD2 LEU A 81 1.972 -0.935 -2.682 1.00 0.00 C ATOM 0 H LEU A 81 4.351 -1.311 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 81 3.294 -2.919 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.069 -1.312 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.088 -2.164 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 81 3.111 0.007 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.134 1.407 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.217 0.891 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.081 0.097 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.033 -0.078 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.002 -1.419 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.763 -1.644 -2.437 1.00 0.00 H new ATOM 1377 N ASN A 82 3.097 -4.122 -6.887 1.00 0.00 N ATOM 1378 CA ASN A 82 2.800 -5.294 -7.738 1.00 0.00 C ATOM 1379 C ASN A 82 3.365 -6.575 -7.096 1.00 0.00 C ATOM 1380 O ASN A 82 2.693 -7.616 -7.048 1.00 0.00 O ATOM 1381 CB ASN A 82 3.344 -5.121 -9.144 1.00 0.00 C ATOM 1382 CG ASN A 82 2.962 -6.233 -10.082 1.00 0.00 C ATOM 1383 OD1 ASN A 82 1.781 -6.444 -10.378 1.00 0.00 O ATOM 1384 ND2 ASN A 82 3.948 -6.994 -10.484 1.00 0.00 N ATOM 0 H ASN A 82 3.582 -3.376 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 82 1.716 -5.382 -7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.983 -4.176 -9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.431 -5.054 -9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.759 -7.806 -11.071 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.906 -6.775 -10.210 1.00 0.00 H new ATOM 1391 N LYS A 83 4.588 -6.444 -6.560 1.00 0.00 N ATOM 1392 CA LYS A 83 5.286 -7.535 -5.870 1.00 0.00 C ATOM 1393 C LYS A 83 4.716 -7.745 -4.453 1.00 0.00 C ATOM 1394 O LYS A 83 4.520 -8.881 -4.032 1.00 0.00 O ATOM 1395 CB LYS A 83 6.787 -7.250 -5.802 1.00 0.00 C ATOM 1396 CG LYS A 83 7.515 -7.399 -7.132 1.00 0.00 C ATOM 1397 CD LYS A 83 7.606 -8.858 -7.553 1.00 0.00 C ATOM 1398 CE LYS A 83 8.372 -9.011 -8.858 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.534 -10.439 -9.243 1.00 0.00 N ATOM 0 H LYS A 83 5.121 -5.575 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 83 5.129 -8.451 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.936 -6.236 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.240 -7.924 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.993 -6.829 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.517 -6.979 -7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.099 -9.434 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.603 -9.269 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.847 -8.479 -9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.354 -8.548 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.061 -10.500 -10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.057 -10.942 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.597 -10.875 -9.363 1.00 0.00 H new ATOM 1413 N VAL A 84 4.390 -6.632 -3.765 1.00 0.00 N ATOM 1414 CA VAL A 84 3.900 -6.654 -2.373 1.00 0.00 C ATOM 1415 C VAL A 84 2.537 -7.372 -2.272 1.00 0.00 C ATOM 1416 O VAL A 84 2.373 -8.283 -1.459 1.00 0.00 O ATOM 1417 CB VAL A 84 3.765 -5.231 -1.799 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.023 -5.261 -0.471 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.135 -4.592 -1.628 1.00 0.00 C ATOM 0 H VAL A 84 4.459 -5.694 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 84 4.639 -7.202 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 84 3.190 -4.629 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.937 -4.247 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.027 -5.679 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.573 -5.879 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.020 -3.587 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.734 -5.193 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.634 -4.537 -2.595 1.00 0.00 H new ATOM 1429 N PHE A 85 1.582 -6.964 -3.128 1.00 0.00 N ATOM 1430 CA PHE A 85 0.219 -7.536 -3.154 1.00 0.00 C ATOM 1431 C PHE A 85 0.249 -8.995 -3.648 1.00 0.00 C ATOM 1432 O PHE A 85 -0.539 -9.825 -3.192 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.701 -6.696 -4.041 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.029 -5.346 -3.470 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.605 -5.229 -2.213 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.761 -4.190 -4.187 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -1.908 -3.989 -1.687 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.061 -2.947 -3.662 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.635 -2.847 -2.413 1.00 0.00 C ATOM 0 H PHE A 85 1.731 -6.230 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.172 -7.524 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.229 -6.563 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.628 -7.244 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.819 -6.119 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.313 -4.262 -5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.358 -3.912 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.846 -2.054 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.871 -1.876 -2.003 1.00 0.00 H new ATOM 1449 N ALA A 86 1.195 -9.298 -4.555 1.00 0.00 N ATOM 1450 CA ALA A 86 1.475 -10.680 -5.000 1.00 0.00 C ATOM 1451 C ALA A 86 2.033 -11.544 -3.847 1.00 0.00 C ATOM 1452 O ALA A 86 1.823 -12.758 -3.815 1.00 0.00 O ATOM 1453 CB ALA A 86 2.447 -10.669 -6.187 1.00 0.00 C ATOM 0 H ALA A 86 1.786 -8.596 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 86 0.534 -11.127 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.645 -11.693 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.006 -10.111 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.382 -10.195 -5.887 1.00 0.00 H new ATOM 1459 N GLU A 87 2.728 -10.895 -2.895 1.00 0.00 N ATOM 1460 CA GLU A 87 3.265 -11.553 -1.682 1.00 0.00 C ATOM 1461 C GLU A 87 2.157 -11.721 -0.618 1.00 0.00 C ATOM 1462 O GLU A 87 2.305 -12.524 0.301 1.00 0.00 O ATOM 1463 CB GLU A 87 4.435 -10.752 -1.105 1.00 0.00 C ATOM 1464 CG GLU A 87 5.712 -10.823 -1.929 1.00 0.00 C ATOM 1465 CD GLU A 87 6.399 -12.150 -1.759 1.00 0.00 C ATOM 1466 OE1 GLU A 87 6.729 -12.488 -0.648 1.00 0.00 O ATOM 1467 OE2 GLU A 87 6.491 -12.876 -2.721 1.00 0.00 O ATOM 0 H GLU A 87 2.935 -9.897 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 87 3.628 -12.541 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.134 -9.708 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.646 -11.114 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.477 -10.665 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.386 -10.021 -1.629 1.00 0.00 H new ATOM 1474 N LEU A 88 1.048 -10.970 -0.774 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.072 -10.950 0.190 1.00 0.00 C ATOM 1476 C LEU A 88 -1.240 -11.839 -0.303 1.00 0.00 C ATOM 1477 O LEU A 88 -2.206 -12.070 0.439 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.551 -9.511 0.418 1.00 0.00 C ATOM 1479 CG LEU A 88 0.468 -8.583 1.094 1.00 0.00 C ATOM 1480 CD1 LEU A 88 -0.073 -7.161 1.142 1.00 0.00 C ATOM 1481 CD2 LEU A 88 0.768 -9.093 2.495 1.00 0.00 C ATOM 0 H LEU A 88 0.903 -10.357 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 88 0.284 -11.354 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.828 -9.080 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.454 -9.538 1.027 1.00 0.00 H new ATOM 0 HG LEU A 88 1.393 -8.577 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.657 -6.510 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.260 -6.809 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.004 -7.145 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.492 -8.434 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.151 -9.110 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.179 -10.101 2.435 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.143 -12.314 -1.561 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.159 -13.180 -2.161 1.00 0.00 C ATOM 1495 C GLY A 89 -3.303 -12.437 -2.838 1.00 0.00 C ATOM 1496 O GLY A 89 -4.387 -12.996 -2.993 1.00 0.00 O ATOM 0 H GLY A 89 -0.360 -12.105 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.679 -13.828 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.571 -13.826 -1.386 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.076 -11.167 -3.217 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.109 -10.318 -3.853 1.00 0.00 C ATOM 1502 C TYR A 90 -3.883 -10.288 -5.369 1.00 0.00 C ATOM 1503 O TYR A 90 -2.735 -10.325 -5.835 1.00 0.00 O ATOM 1504 CB TYR A 90 -4.084 -8.897 -3.283 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.505 -8.811 -1.833 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.155 -9.870 -1.215 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -4.251 -7.671 -1.086 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.542 -9.795 0.109 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.633 -7.585 0.239 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.278 -8.651 0.833 1.00 0.00 C ATOM 1511 OH TYR A 90 -5.660 -8.572 2.153 1.00 0.00 O ATOM 0 H TYR A 90 -2.178 -10.699 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.089 -10.744 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.076 -8.494 -3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.741 -8.265 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.362 -10.768 -1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.746 -6.836 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.048 -10.628 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.428 -6.689 0.806 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.388 -9.206 2.321 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.987 -10.205 -6.123 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.971 -10.204 -7.595 1.00 0.00 C ATOM 1523 C ASN A 91 -4.558 -8.812 -8.121 1.00 0.00 C ATOM 1524 O ASN A 91 -4.968 -7.787 -7.560 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.312 -10.615 -8.172 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.639 -12.068 -7.969 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.746 -12.910 -7.815 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.907 -12.379 -8.046 1.00 0.00 N ATOM 0 H ASN A 91 -5.925 -10.136 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.237 -10.941 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.095 -10.009 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.320 -10.396 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.198 -13.354 -7.979 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.605 -11.646 -8.173 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.756 -8.789 -9.206 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.282 -7.543 -9.859 1.00 0.00 C ATOM 1537 C ASP A 92 -4.451 -6.683 -10.383 1.00 0.00 C ATOM 1538 O ASP A 92 -4.387 -5.448 -10.334 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.329 -7.873 -11.010 1.00 0.00 C ATOM 1540 CG ASP A 92 -0.964 -8.385 -10.569 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -0.660 -8.278 -9.405 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -0.305 -9.016 -11.360 1.00 0.00 O ATOM 0 H ASP A 92 -3.415 -9.637 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.754 -6.964 -9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.796 -8.623 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.189 -6.979 -11.618 1.00 0.00 H new ATOM 1547 N SER A 93 -5.493 -7.348 -10.908 1.00 0.00 N ATOM 1548 CA SER A 93 -6.699 -6.672 -11.438 1.00 0.00 C ATOM 1549 C SER A 93 -7.476 -5.907 -10.336 1.00 0.00 C ATOM 1550 O SER A 93 -8.231 -4.986 -10.640 1.00 0.00 O ATOM 1551 CB SER A 93 -7.606 -7.688 -12.107 1.00 0.00 C ATOM 1552 OG SER A 93 -8.134 -8.606 -11.189 1.00 0.00 O ATOM 0 H SER A 93 -5.528 -8.365 -10.979 1.00 0.00 H new ATOM 0 HA SER A 93 -6.368 -5.935 -12.169 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.422 -7.169 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.047 -8.223 -12.874 1.00 0.00 H new ATOM 0 HG SER A 93 -8.713 -9.242 -11.659 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.259 -6.289 -9.058 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.882 -5.612 -7.893 1.00 0.00 C ATOM 1560 C ASN A 94 -7.142 -4.301 -7.552 1.00 0.00 C ATOM 1561 O ASN A 94 -7.566 -3.561 -6.671 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.925 -6.519 -6.678 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.921 -7.639 -6.793 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.856 -7.585 -7.601 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.776 -8.616 -5.934 1.00 0.00 N ATOM 0 H ASN A 94 -6.653 -7.069 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.908 -5.371 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.933 -6.942 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.164 -5.921 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.452 -9.379 -5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.987 -8.614 -5.288 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.052 -4.018 -8.280 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.221 -2.812 -8.104 1.00 0.00 C ATOM 1574 C VAL A 95 -5.530 -1.800 -9.230 1.00 0.00 C ATOM 1575 O VAL A 95 -5.344 -2.112 -10.411 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.717 -3.144 -8.106 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -2.892 -1.876 -7.941 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.389 -4.139 -7.003 1.00 0.00 C ATOM 0 H VAL A 95 -5.715 -4.631 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.465 -2.380 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.466 -3.597 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.832 -2.129 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.105 -1.194 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.147 -1.396 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.322 -4.362 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.655 -3.712 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.954 -5.057 -7.162 1.00 0.00 H new ATOM 1588 N THR A 96 -6.030 -0.601 -8.864 1.00 0.00 N ATOM 1589 CA THR A 96 -6.362 0.464 -9.834 1.00 0.00 C ATOM 1590 C THR A 96 -5.652 1.795 -9.476 1.00 0.00 C ATOM 1591 O THR A 96 -5.703 2.237 -8.327 1.00 0.00 O ATOM 1592 CB THR A 96 -7.881 0.706 -9.905 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.541 -0.499 -10.317 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.199 1.817 -10.894 1.00 0.00 C ATOM 0 H THR A 96 -6.214 -0.345 -7.894 1.00 0.00 H new ATOM 0 HA THR A 96 -6.010 0.122 -10.807 1.00 0.00 H new ATOM 0 HB THR A 96 -8.233 1.002 -8.917 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.508 -0.344 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.277 1.974 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.709 2.738 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.839 1.537 -11.884 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.987 2.418 -10.466 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.342 3.745 -10.316 1.00 0.00 C ATOM 1604 C TRP A 97 -5.203 4.863 -10.947 1.00 0.00 C ATOM 1605 O TRP A 97 -5.644 4.740 -12.093 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.950 3.735 -10.950 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.927 3.000 -10.138 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.659 1.664 -10.180 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.038 3.557 -9.164 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.658 1.354 -9.293 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.259 2.502 -8.657 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.823 4.851 -8.670 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.711 2.693 -7.686 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.150 5.043 -7.698 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.897 3.995 -7.220 1.00 0.00 C ATOM 0 H TRP A 97 -4.879 2.018 -11.398 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.247 3.950 -9.250 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.013 3.280 -11.938 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.618 4.763 -11.094 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.161 0.952 -10.819 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.274 0.423 -9.133 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.404 5.684 -9.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.298 1.870 -7.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.322 6.036 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.646 4.183 -6.465 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.404 5.958 -10.190 1.00 0.00 N ATOM 1627 CA ASP A 98 -6.180 7.141 -10.619 1.00 0.00 C ATOM 1628 C ASP A 98 -5.645 8.370 -9.881 1.00 0.00 C ATOM 1629 O ASP A 98 -5.879 8.510 -8.676 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.675 6.960 -10.346 1.00 0.00 C ATOM 1631 CG ASP A 98 -8.548 8.104 -10.842 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -8.007 9.094 -11.276 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -9.739 7.921 -10.931 1.00 0.00 O ATOM 0 H ASP A 98 -5.026 6.049 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.064 7.271 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.008 6.035 -10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.824 6.844 -9.273 1.00 0.00 H new ATOM 1638 N GLY A 99 -4.900 9.230 -10.612 1.00 0.00 N ATOM 1639 CA GLY A 99 -4.365 10.487 -10.065 1.00 0.00 C ATOM 1640 C GLY A 99 -3.164 10.291 -9.142 1.00 0.00 C ATOM 1641 O GLY A 99 -3.148 10.823 -8.030 1.00 0.00 O ATOM 0 H GLY A 99 -4.657 9.070 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.076 11.138 -10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.155 11.000 -9.516 1.00 0.00 H new ATOM 1645 N ASP A 100 -2.200 9.456 -9.596 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.979 9.070 -8.839 1.00 0.00 C ATOM 1647 C ASP A 100 -1.328 8.474 -7.460 1.00 0.00 C ATOM 1648 O ASP A 100 -0.508 8.465 -6.541 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.053 10.276 -8.662 1.00 0.00 C ATOM 1650 CG ASP A 100 0.434 10.892 -9.968 1.00 0.00 C ATOM 1651 OD1 ASP A 100 0.929 10.164 -10.796 1.00 0.00 O ATOM 1652 OD2 ASP A 100 0.167 12.047 -10.192 1.00 0.00 O ATOM 0 H ASP A 100 -2.247 9.021 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.466 8.303 -9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.577 11.040 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.812 9.971 -8.073 1.00 0.00 H new ATOM 1657 N THR A 101 -2.551 7.951 -7.350 1.00 0.00 N ATOM 1658 CA THR A 101 -3.091 7.382 -6.120 1.00 0.00 C ATOM 1659 C THR A 101 -3.696 6.027 -6.480 1.00 0.00 C ATOM 1660 O THR A 101 -4.365 5.909 -7.510 1.00 0.00 O ATOM 1661 CB THR A 101 -4.156 8.283 -5.469 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.630 9.606 -5.301 1.00 0.00 O ATOM 1663 CG2 THR A 101 -4.566 7.729 -4.113 1.00 0.00 C ATOM 0 H THR A 101 -3.205 7.912 -8.132 1.00 0.00 H new ATOM 0 HA THR A 101 -2.290 7.284 -5.388 1.00 0.00 H new ATOM 0 HB THR A 101 -5.031 8.313 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.484 10.014 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.319 8.379 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.978 6.728 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.694 7.683 -3.460 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.445 5.000 -5.668 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.861 3.639 -5.996 1.00 0.00 C ATOM 1673 C VAL A 102 -4.946 3.196 -5.003 1.00 0.00 C ATOM 1674 O VAL A 102 -4.846 3.424 -3.792 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.680 2.649 -5.954 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.106 2.565 -4.548 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.121 1.274 -6.432 1.00 0.00 C ATOM 0 H VAL A 102 -2.955 5.086 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.251 3.638 -7.014 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.901 3.013 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.273 1.862 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.754 3.549 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.879 2.224 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.275 0.588 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.917 0.903 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.487 1.345 -7.456 1.00 0.00 H new ATOM 1687 N THR A 103 -6.017 2.627 -5.547 1.00 0.00 N ATOM 1688 CA THR A 103 -7.094 2.031 -4.782 1.00 0.00 C ATOM 1689 C THR A 103 -7.104 0.527 -5.075 1.00 0.00 C ATOM 1690 O THR A 103 -7.118 0.115 -6.244 1.00 0.00 O ATOM 1691 CB THR A 103 -8.463 2.648 -5.126 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.462 4.039 -4.782 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.572 1.940 -4.363 1.00 0.00 C ATOM 0 H THR A 103 -6.158 2.569 -6.555 1.00 0.00 H new ATOM 0 HA THR A 103 -6.923 2.222 -3.723 1.00 0.00 H new ATOM 0 HB THR A 103 -8.641 2.532 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.445 4.135 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.532 2.388 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.582 0.884 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.398 2.040 -3.292 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.024 -0.279 -4.013 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.867 -1.735 -4.098 1.00 0.00 C ATOM 1703 C VAL A 104 -7.961 -2.391 -3.267 1.00 0.00 C ATOM 1704 O VAL A 104 -8.232 -1.954 -2.143 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.487 -2.207 -3.602 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.367 -3.719 -3.722 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.376 -1.520 -4.382 1.00 0.00 C ATOM 0 H VAL A 104 -7.067 0.066 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.946 -2.024 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.387 -1.936 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.386 -4.035 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.141 -4.194 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.488 -4.012 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.408 -1.866 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.472 -1.760 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.450 -0.441 -4.247 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.603 -3.423 -3.831 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.575 -4.215 -3.088 1.00 0.00 C ATOM 1719 C GLU A 105 -8.833 -5.390 -2.442 1.00 0.00 C ATOM 1720 O GLU A 105 -8.137 -6.159 -3.118 1.00 0.00 O ATOM 1721 CB GLU A 105 -10.700 -4.709 -4.000 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.613 -3.611 -4.524 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.771 -3.374 -3.595 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -12.927 -4.128 -2.665 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.434 -2.376 -3.747 1.00 0.00 O ATOM 0 H GLU A 105 -8.463 -3.723 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.043 -3.601 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.260 -5.234 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.302 -5.435 -3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.045 -2.688 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.986 -3.885 -5.511 1.00 0.00 H new ATOM 1732 N GLY A 106 -8.984 -5.487 -1.117 1.00 0.00 N ATOM 1733 CA GLY A 106 -8.284 -6.474 -0.313 1.00 0.00 C ATOM 1734 C GLY A 106 -9.274 -7.430 0.296 1.00 0.00 C ATOM 1735 O GLY A 106 -10.454 -7.094 0.445 1.00 0.00 O ATOM 0 H GLY A 106 -9.599 -4.878 -0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.570 -7.019 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.713 -5.978 0.472 1.00 0.00 H new ATOM 1739 N GLN A 107 -8.820 -8.628 0.643 1.00 0.00 N ATOM 1740 CA GLN A 107 -9.695 -9.653 1.212 1.00 0.00 C ATOM 1741 C GLN A 107 -8.981 -10.404 2.330 1.00 0.00 C ATOM 1742 O GLN A 107 -7.742 -10.476 2.368 1.00 0.00 O ATOM 1743 CB GLN A 107 -10.150 -10.639 0.133 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.224 -10.096 -0.793 1.00 0.00 C ATOM 1745 CD GLN A 107 -11.657 -11.109 -1.835 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -11.174 -12.245 -1.855 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -12.566 -10.702 -2.713 1.00 0.00 N ATOM 0 H GLN A 107 -7.847 -8.917 0.541 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.573 -9.155 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.286 -10.932 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.525 -11.541 0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.089 -9.794 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.851 -9.202 -1.293 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.938 -9.754 -2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.892 -11.337 -3.441 1.00 0.00 H new