USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -3.79! C(o=-3.8!,f=-3.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.022 (180deg=-0.259) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -1.37! (180deg=-3.34!) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= -0.415 (180deg=-0.485) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -3! (180deg=-6.73!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.02 K(o=1,f=-0.00052) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0.34 K(o=0.34,f=-1.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 40:sc= 0.101 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -168:sc= -1.52 (180deg=-2.04) USER MOD Single : A 78 GLN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 89 ASN : amide:sc= -0.0491 K(o=-0.049,f=-0.62) USER MOD Single : A 90 TYR OH : rot -11:sc= 0.92 USER MOD Single : A 92 CYS SG : rot -165:sc= -3.99! USER MOD Single : A 95 THR OG1 : rot -47:sc= 0.273 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 SER OG : rot 52:sc= 0.0799 USER MOD Single : A 103 CYS SG : rot -160:sc= -1.27 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2 X(o=-2,f=-2.3!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.901 4.534 -0.574 1.00 0.00 N ATOM 125 CA ILE A 11 11.038 5.769 -1.337 1.00 0.00 C ATOM 126 C ILE A 11 9.684 6.256 -1.842 1.00 0.00 C ATOM 127 O ILE A 11 9.346 7.430 -1.704 1.00 0.00 O ATOM 128 CB ILE A 11 11.986 5.586 -2.537 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.423 6.948 -3.081 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.310 4.767 -3.627 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.695 7.470 -2.451 1.00 0.00 C ATOM 0 HA ILE A 11 11.460 6.513 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 11 12.872 5.047 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.566 6.871 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.623 7.670 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.993 4.647 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.043 3.786 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.409 5.281 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.945 8.439 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.550 7.580 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.508 6.768 -2.638 1.00 0.00 H new ATOM 143 N GLU A 12 8.914 5.343 -2.426 1.00 0.00 N ATOM 144 CA GLU A 12 7.595 5.681 -2.951 1.00 0.00 C ATOM 145 C GLU A 12 6.522 5.499 -1.882 1.00 0.00 C ATOM 146 O GLU A 12 6.600 4.590 -1.055 1.00 0.00 O ATOM 147 CB GLU A 12 7.270 4.814 -4.169 1.00 0.00 C ATOM 148 CG GLU A 12 6.389 5.510 -5.193 1.00 0.00 C ATOM 149 CD GLU A 12 5.144 6.116 -4.576 1.00 0.00 C ATOM 150 OE1 GLU A 12 4.265 5.345 -4.136 1.00 0.00 O ATOM 151 OE2 GLU A 12 5.047 7.361 -4.534 1.00 0.00 O ATOM 0 H GLU A 12 9.180 4.366 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 12 7.609 6.728 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.201 4.512 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.774 3.903 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.963 6.294 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.097 4.795 -5.962 1.00 0.00 H new ATOM 158 N LYS A 13 5.519 6.371 -1.905 1.00 0.00 N ATOM 159 CA LYS A 13 4.428 6.308 -0.939 1.00 0.00 C ATOM 160 C LYS A 13 3.076 6.320 -1.645 1.00 0.00 C ATOM 161 O LYS A 13 2.693 7.297 -2.289 1.00 0.00 O ATOM 162 CB LYS A 13 4.516 7.483 0.037 1.00 0.00 C ATOM 163 CG LYS A 13 5.892 7.658 0.656 1.00 0.00 C ATOM 164 CD LYS A 13 6.026 6.873 1.950 1.00 0.00 C ATOM 165 CE LYS A 13 5.403 7.617 3.121 1.00 0.00 C ATOM 166 NZ LYS A 13 5.910 7.117 4.429 1.00 0.00 N ATOM 0 H LYS A 13 5.439 7.130 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 13 4.520 5.375 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.243 8.400 -0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.785 7.339 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.654 7.329 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.073 8.715 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.546 5.901 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.080 6.686 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.619 8.682 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.319 7.507 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.461 7.649 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.682 6.107 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.941 7.245 4.474 1.00 0.00 H new ATOM 180 N PRO A 14 2.333 5.210 -1.522 1.00 0.00 N ATOM 181 CA PRO A 14 1.011 5.069 -2.140 1.00 0.00 C ATOM 182 C PRO A 14 -0.035 5.960 -1.479 1.00 0.00 C ATOM 183 O PRO A 14 -0.605 5.603 -0.448 1.00 0.00 O ATOM 184 CB PRO A 14 0.673 3.592 -1.919 1.00 0.00 C ATOM 185 CG PRO A 14 1.460 3.198 -0.718 1.00 0.00 C ATOM 186 CD PRO A 14 2.727 4.007 -0.770 1.00 0.00 C ATOM 0 HA PRO A 14 1.016 5.367 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.395 3.451 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.945 2.990 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.904 3.402 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.678 2.130 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.085 4.257 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.530 3.465 -1.270 1.00 0.00 H new ATOM 194 N GLN A 15 -0.283 7.119 -2.080 1.00 0.00 N ATOM 195 CA GLN A 15 -1.261 8.061 -1.549 1.00 0.00 C ATOM 196 C GLN A 15 -2.680 7.631 -1.907 1.00 0.00 C ATOM 197 O GLN A 15 -3.051 7.597 -3.079 1.00 0.00 O ATOM 198 CB GLN A 15 -0.990 9.467 -2.085 1.00 0.00 C ATOM 199 CG GLN A 15 0.308 10.073 -1.576 1.00 0.00 C ATOM 200 CD GLN A 15 1.490 9.755 -2.470 1.00 0.00 C ATOM 201 OE1 GLN A 15 1.336 9.548 -3.674 1.00 0.00 O ATOM 202 NE2 GLN A 15 2.681 9.713 -1.883 1.00 0.00 N ATOM 0 H GLN A 15 0.180 7.428 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.167 8.071 -0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.962 9.432 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.819 10.118 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.195 11.154 -1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.508 9.703 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.763 9.891 -0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.514 9.503 -2.433 1.00 0.00 H new ATOM 211 N GLY A 16 -3.469 7.304 -0.888 1.00 0.00 N ATOM 212 CA GLY A 16 -4.838 6.881 -1.116 1.00 0.00 C ATOM 213 C GLY A 16 -5.537 7.720 -2.169 1.00 0.00 C ATOM 214 O GLY A 16 -5.115 8.837 -2.462 1.00 0.00 O ATOM 0 H GLY A 16 -3.184 7.325 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.845 5.836 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.394 6.941 -0.180 1.00 0.00 H new ATOM 218 N GLY A 17 -6.608 7.178 -2.740 1.00 0.00 N ATOM 219 CA GLY A 17 -7.348 7.897 -3.760 1.00 0.00 C ATOM 220 C GLY A 17 -8.841 7.644 -3.681 1.00 0.00 C ATOM 221 O GLY A 17 -9.359 7.261 -2.631 1.00 0.00 O ATOM 0 H GLY A 17 -6.976 6.254 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.158 8.965 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.984 7.602 -4.744 1.00 0.00 H new ATOM 225 N THR A 18 -9.536 7.861 -4.793 1.00 0.00 N ATOM 226 CA THR A 18 -10.979 7.658 -4.844 1.00 0.00 C ATOM 227 C THR A 18 -11.389 6.957 -6.134 1.00 0.00 C ATOM 228 O THR A 18 -11.240 7.506 -7.226 1.00 0.00 O ATOM 229 CB THR A 18 -11.739 8.993 -4.735 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.138 9.818 -3.731 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.202 8.757 -4.395 1.00 0.00 C ATOM 0 H THR A 18 -9.123 8.177 -5.670 1.00 0.00 H new ATOM 0 HA THR A 18 -11.240 7.030 -3.992 1.00 0.00 H new ATOM 0 HB THR A 18 -11.684 9.497 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.626 10.666 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.718 9.714 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.664 8.153 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.274 8.234 -3.442 1.00 0.00 H new ATOM 239 N VAL A 19 -11.908 5.740 -6.001 1.00 0.00 N ATOM 240 CA VAL A 19 -12.342 4.964 -7.156 1.00 0.00 C ATOM 241 C VAL A 19 -13.859 4.809 -7.175 1.00 0.00 C ATOM 242 O VAL A 19 -14.492 4.657 -6.131 1.00 0.00 O ATOM 243 CB VAL A 19 -11.694 3.567 -7.170 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.108 2.774 -5.939 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.063 2.821 -8.443 1.00 0.00 C ATOM 0 H VAL A 19 -12.038 5.271 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.024 5.512 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.611 3.688 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.641 1.790 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.788 3.303 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.192 2.661 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.596 1.836 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.146 2.709 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.712 3.383 -9.309 1.00 0.00 H new ATOM 255 N LYS A 20 -14.437 4.847 -8.371 1.00 0.00 N ATOM 256 CA LYS A 20 -15.880 4.709 -8.529 1.00 0.00 C ATOM 257 C LYS A 20 -16.308 3.254 -8.366 1.00 0.00 C ATOM 258 O LYS A 20 -15.545 2.335 -8.663 1.00 0.00 O ATOM 259 CB LYS A 20 -16.316 5.229 -9.900 1.00 0.00 C ATOM 260 CG LYS A 20 -17.794 5.569 -9.980 1.00 0.00 C ATOM 261 CD LYS A 20 -18.132 6.790 -9.140 1.00 0.00 C ATOM 262 CE LYS A 20 -17.566 8.062 -9.753 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.212 8.385 -11.055 1.00 0.00 N ATOM 0 H LYS A 20 -13.928 4.972 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.364 5.301 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.734 6.118 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.083 4.478 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.070 5.753 -11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.383 4.718 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.214 6.880 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.734 6.662 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.707 8.893 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.492 7.948 -9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.994 9.368 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.852 7.743 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.242 8.270 -10.970 1.00 0.00 H new ATOM 277 N VAL A 21 -17.534 3.052 -7.893 1.00 0.00 N ATOM 278 CA VAL A 21 -18.065 1.709 -7.694 1.00 0.00 C ATOM 279 C VAL A 21 -18.087 0.927 -9.002 1.00 0.00 C ATOM 280 O VAL A 21 -18.811 1.276 -9.934 1.00 0.00 O ATOM 281 CB VAL A 21 -19.489 1.749 -7.108 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.106 0.359 -7.107 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.470 2.334 -5.704 1.00 0.00 C ATOM 0 H VAL A 21 -18.178 3.802 -7.641 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.403 1.209 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.104 2.392 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.112 0.408 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.155 -0.018 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.494 -0.310 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.484 2.355 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.840 1.719 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.072 3.348 -5.738 1.00 0.00 H new ATOM 293 N GLY A 22 -17.290 -0.135 -9.064 1.00 0.00 N ATOM 294 CA GLY A 22 -17.234 -0.951 -10.263 1.00 0.00 C ATOM 295 C GLY A 22 -16.027 -0.634 -11.125 1.00 0.00 C ATOM 296 O GLY A 22 -15.720 -1.365 -12.066 1.00 0.00 O ATOM 0 H GLY A 22 -16.682 -0.445 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.209 -2.004 -9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.143 -0.798 -10.845 1.00 0.00 H new ATOM 300 N GLU A 23 -15.344 0.460 -10.803 1.00 0.00 N ATOM 301 CA GLU A 23 -14.166 0.873 -11.557 1.00 0.00 C ATOM 302 C GLU A 23 -12.930 0.105 -11.099 1.00 0.00 C ATOM 303 O GLU A 23 -12.995 -0.700 -10.170 1.00 0.00 O ATOM 304 CB GLU A 23 -13.933 2.377 -11.399 1.00 0.00 C ATOM 305 CG GLU A 23 -14.620 3.215 -12.464 1.00 0.00 C ATOM 306 CD GLU A 23 -16.061 2.801 -12.693 1.00 0.00 C ATOM 307 OE1 GLU A 23 -16.773 2.555 -11.698 1.00 0.00 O ATOM 308 OE2 GLU A 23 -16.475 2.724 -13.869 1.00 0.00 O ATOM 0 H GLU A 23 -15.586 1.075 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.343 0.649 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.288 2.690 -10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.862 2.575 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.590 4.264 -12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.068 3.130 -13.400 1.00 0.00 H new ATOM 315 N ASP A 24 -11.805 0.360 -11.758 1.00 0.00 N ATOM 316 CA ASP A 24 -10.553 -0.307 -11.420 1.00 0.00 C ATOM 317 C ASP A 24 -9.471 0.712 -11.073 1.00 0.00 C ATOM 318 O ASP A 24 -9.112 1.554 -11.896 1.00 0.00 O ATOM 319 CB ASP A 24 -10.089 -1.187 -12.581 1.00 0.00 C ATOM 320 CG ASP A 24 -9.574 -0.375 -13.754 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.402 0.246 -14.453 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.345 -0.362 -13.973 1.00 0.00 O ATOM 0 H ASP A 24 -11.734 1.024 -12.529 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.729 -0.935 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.302 -1.857 -12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.918 -1.813 -12.912 1.00 0.00 H new ATOM 327 N ILE A 25 -8.958 0.629 -9.851 1.00 0.00 N ATOM 328 CA ILE A 25 -7.918 1.543 -9.396 1.00 0.00 C ATOM 329 C ILE A 25 -6.624 0.796 -9.090 1.00 0.00 C ATOM 330 O ILE A 25 -6.641 -0.392 -8.768 1.00 0.00 O ATOM 331 CB ILE A 25 -8.359 2.318 -8.140 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.210 3.183 -7.618 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.835 1.354 -7.063 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.653 4.253 -6.644 1.00 0.00 C ATOM 0 H ILE A 25 -9.245 -0.062 -9.158 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.744 2.250 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.189 2.972 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.475 2.542 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.710 3.657 -8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.143 1.916 -6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.680 0.777 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.023 0.677 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.787 4.827 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.365 4.918 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.127 3.786 -5.781 1.00 0.00 H new ATOM 346 N THR A 26 -5.502 1.502 -9.192 1.00 0.00 N ATOM 347 CA THR A 26 -4.198 0.906 -8.926 1.00 0.00 C ATOM 348 C THR A 26 -3.328 1.838 -8.090 1.00 0.00 C ATOM 349 O THR A 26 -3.216 3.029 -8.384 1.00 0.00 O ATOM 350 CB THR A 26 -3.458 0.567 -10.234 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.377 0.028 -11.191 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.339 -0.431 -9.980 1.00 0.00 C ATOM 0 H THR A 26 -5.470 2.487 -9.457 1.00 0.00 H new ATOM 0 HA THR A 26 -4.378 -0.014 -8.370 1.00 0.00 H new ATOM 0 HB THR A 26 -3.022 1.485 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.899 -0.183 -12.020 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.831 -0.655 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.626 -0.006 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.757 -1.349 -9.566 1.00 0.00 H new ATOM 360 N PHE A 27 -2.714 1.289 -7.048 1.00 0.00 N ATOM 361 CA PHE A 27 -1.853 2.072 -6.169 1.00 0.00 C ATOM 362 C PHE A 27 -0.388 1.690 -6.360 1.00 0.00 C ATOM 363 O PHE A 27 -0.044 0.508 -6.398 1.00 0.00 O ATOM 364 CB PHE A 27 -2.259 1.867 -4.708 1.00 0.00 C ATOM 365 CG PHE A 27 -3.679 2.263 -4.419 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.709 1.347 -4.557 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.983 3.551 -4.010 1.00 0.00 C ATOM 368 CE1 PHE A 27 -6.017 1.707 -4.292 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.289 3.918 -3.743 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.307 2.995 -3.885 1.00 0.00 C ATOM 0 H PHE A 27 -2.796 0.305 -6.791 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.972 3.124 -6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.122 0.818 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.592 2.446 -4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.487 0.339 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.191 4.277 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.811 0.983 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.513 4.925 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.328 3.280 -3.678 1.00 0.00 H new ATOM 380 N ILE A 28 0.469 2.698 -6.480 1.00 0.00 N ATOM 381 CA ILE A 28 1.896 2.468 -6.666 1.00 0.00 C ATOM 382 C ILE A 28 2.628 2.438 -5.328 1.00 0.00 C ATOM 383 O ILE A 28 2.497 3.355 -4.518 1.00 0.00 O ATOM 384 CB ILE A 28 2.529 3.551 -7.560 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.999 3.435 -8.991 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.046 3.435 -7.540 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.430 2.166 -9.694 1.00 0.00 C ATOM 0 H ILE A 28 0.200 3.682 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 28 1.998 1.499 -7.155 1.00 0.00 H new ATOM 0 HB ILE A 28 2.254 4.531 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.910 3.478 -8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.341 4.294 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.478 4.207 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.407 3.562 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.341 2.453 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.018 2.151 -10.703 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.518 2.130 -9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.065 1.301 -9.140 1.00 0.00 H new ATOM 399 N ALA A 29 3.399 1.379 -5.106 1.00 0.00 N ATOM 400 CA ALA A 29 4.155 1.232 -3.868 1.00 0.00 C ATOM 401 C ALA A 29 5.434 0.432 -4.097 1.00 0.00 C ATOM 402 O ALA A 29 5.387 -0.765 -4.381 1.00 0.00 O ATOM 403 CB ALA A 29 3.298 0.565 -2.802 1.00 0.00 C ATOM 0 H ALA A 29 3.517 0.611 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 29 4.436 2.227 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.875 0.462 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.416 1.176 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.988 -0.421 -3.149 1.00 0.00 H new ATOM 409 N LYS A 30 6.575 1.102 -3.974 1.00 0.00 N ATOM 410 CA LYS A 30 7.867 0.455 -4.167 1.00 0.00 C ATOM 411 C LYS A 30 8.789 0.717 -2.981 1.00 0.00 C ATOM 412 O LYS A 30 8.622 1.699 -2.257 1.00 0.00 O ATOM 413 CB LYS A 30 8.522 0.953 -5.457 1.00 0.00 C ATOM 414 CG LYS A 30 9.456 2.133 -5.248 1.00 0.00 C ATOM 415 CD LYS A 30 9.590 2.968 -6.511 1.00 0.00 C ATOM 416 CE LYS A 30 8.231 3.389 -7.048 1.00 0.00 C ATOM 417 NZ LYS A 30 8.291 4.709 -7.734 1.00 0.00 N ATOM 0 H LYS A 30 6.631 2.094 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 30 7.700 -0.619 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.080 0.134 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.743 1.238 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.080 2.756 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.438 1.771 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.190 3.854 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.122 2.396 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.866 2.634 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.515 3.438 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.345 4.961 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.615 5.434 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.955 4.655 -8.533 1.00 0.00 H new ATOM 431 N VAL A 31 9.765 -0.165 -2.789 1.00 0.00 N ATOM 432 CA VAL A 31 10.716 -0.027 -1.692 1.00 0.00 C ATOM 433 C VAL A 31 12.147 0.046 -2.212 1.00 0.00 C ATOM 434 O VAL A 31 12.483 -0.566 -3.226 1.00 0.00 O ATOM 435 CB VAL A 31 10.601 -1.199 -0.699 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.381 -2.404 -1.202 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.086 -0.777 0.680 1.00 0.00 C ATOM 0 H VAL A 31 9.918 -0.983 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 31 10.472 0.902 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 31 9.552 -1.484 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.288 -3.222 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.983 -2.718 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.432 -2.137 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.998 -1.617 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.129 -0.465 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.479 0.054 1.041 1.00 0.00 H new ATOM 447 N LYS A 32 12.988 0.798 -1.510 1.00 0.00 N ATOM 448 CA LYS A 32 14.385 0.951 -1.898 1.00 0.00 C ATOM 449 C LYS A 32 15.203 -0.266 -1.477 1.00 0.00 C ATOM 450 O LYS A 32 15.410 -0.504 -0.288 1.00 0.00 O ATOM 451 CB LYS A 32 14.974 2.217 -1.272 1.00 0.00 C ATOM 452 CG LYS A 32 16.260 2.681 -1.934 1.00 0.00 C ATOM 453 CD LYS A 32 15.980 3.543 -3.153 1.00 0.00 C ATOM 454 CE LYS A 32 17.070 3.395 -4.203 1.00 0.00 C ATOM 455 NZ LYS A 32 18.201 4.334 -3.965 1.00 0.00 N ATOM 0 H LYS A 32 12.726 1.311 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 32 14.427 1.037 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.236 3.018 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.165 2.034 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.856 3.246 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.852 1.814 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.018 3.264 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.903 4.588 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.442 2.370 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.649 3.577 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.923 4.202 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.851 5.313 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.620 4.144 -3.032 1.00 0.00 H new ATOM 469 N ALA A 33 15.666 -1.031 -2.460 1.00 0.00 N ATOM 470 CA ALA A 33 16.464 -2.221 -2.191 1.00 0.00 C ATOM 471 C ALA A 33 17.916 -2.013 -2.607 1.00 0.00 C ATOM 472 O ALA A 33 18.208 -1.216 -3.498 1.00 0.00 O ATOM 473 CB ALA A 33 15.875 -3.425 -2.910 1.00 0.00 C ATOM 0 H ALA A 33 15.502 -0.848 -3.450 1.00 0.00 H new ATOM 0 HA ALA A 33 16.444 -2.407 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.481 -4.306 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.856 -3.594 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.865 -3.239 -3.984 1.00 0.00 H new ATOM 479 N GLU A 34 18.823 -2.734 -1.955 1.00 0.00 N ATOM 480 CA GLU A 34 20.245 -2.626 -2.257 1.00 0.00 C ATOM 481 C GLU A 34 20.831 -3.990 -2.609 1.00 0.00 C ATOM 482 O GLU A 34 21.545 -4.134 -3.602 1.00 0.00 O ATOM 483 CB GLU A 34 20.998 -2.027 -1.067 1.00 0.00 C ATOM 484 CG GLU A 34 20.533 -0.630 -0.693 1.00 0.00 C ATOM 485 CD GLU A 34 21.338 -0.032 0.444 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.696 -0.781 1.377 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.610 1.186 0.401 1.00 0.00 O ATOM 0 H GLU A 34 18.598 -3.399 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 34 20.358 -1.967 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.879 -2.683 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.062 -1.996 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.606 0.019 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.481 -0.665 -0.409 1.00 0.00 H new ATOM 494 N ASP A 35 20.526 -4.989 -1.788 1.00 0.00 N ATOM 495 CA ASP A 35 21.021 -6.342 -2.012 1.00 0.00 C ATOM 496 C ASP A 35 20.106 -7.105 -2.965 1.00 0.00 C ATOM 497 O ASP A 35 18.882 -6.988 -2.894 1.00 0.00 O ATOM 498 CB ASP A 35 21.135 -7.093 -0.685 1.00 0.00 C ATOM 499 CG ASP A 35 22.236 -8.135 -0.702 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.385 -7.790 -0.358 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.948 -9.297 -1.061 1.00 0.00 O ATOM 0 H ASP A 35 19.938 -4.887 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 35 22.009 -6.270 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.326 -6.380 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.184 -7.577 -0.462 1.00 0.00 H new ATOM 506 N LEU A 36 20.706 -7.886 -3.856 1.00 0.00 N ATOM 507 CA LEU A 36 19.946 -8.668 -4.824 1.00 0.00 C ATOM 508 C LEU A 36 19.444 -9.967 -4.201 1.00 0.00 C ATOM 509 O LEU A 36 18.260 -10.296 -4.294 1.00 0.00 O ATOM 510 CB LEU A 36 20.807 -8.977 -6.050 1.00 0.00 C ATOM 511 CG LEU A 36 21.157 -7.785 -6.942 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.639 -8.260 -8.304 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.957 -6.861 -7.092 1.00 0.00 C ATOM 0 H LEU A 36 21.718 -7.995 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 36 19.084 -8.077 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.735 -9.436 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 20.287 -9.719 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 36 21.964 -7.226 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.883 -7.398 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.526 -8.881 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.853 -8.842 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.224 -6.018 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.130 -7.409 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.657 -6.493 -6.111 1.00 0.00 H new ATOM 525 N LEU A 37 20.350 -10.701 -3.565 1.00 0.00 N ATOM 526 CA LEU A 37 19.999 -11.963 -2.924 1.00 0.00 C ATOM 527 C LEU A 37 18.746 -11.809 -2.068 1.00 0.00 C ATOM 528 O LEU A 37 17.876 -12.680 -2.063 1.00 0.00 O ATOM 529 CB LEU A 37 21.161 -12.460 -2.063 1.00 0.00 C ATOM 530 CG LEU A 37 22.519 -12.558 -2.759 1.00 0.00 C ATOM 531 CD1 LEU A 37 23.648 -12.397 -1.753 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.646 -13.883 -3.498 1.00 0.00 C ATOM 0 H LEU A 37 21.333 -10.444 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 37 19.795 -12.695 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.262 -11.795 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.903 -13.445 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 37 22.591 -11.750 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.606 -12.470 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.568 -11.423 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.579 -13.182 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.619 -13.935 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.552 -14.706 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.858 -13.958 -4.248 1.00 0.00 H new ATOM 544 N ARG A 38 18.661 -10.696 -1.348 1.00 0.00 N ATOM 545 CA ARG A 38 17.514 -10.428 -0.489 1.00 0.00 C ATOM 546 C ARG A 38 16.364 -9.825 -1.290 1.00 0.00 C ATOM 547 O ARG A 38 16.577 -9.202 -2.330 1.00 0.00 O ATOM 548 CB ARG A 38 17.910 -9.481 0.646 1.00 0.00 C ATOM 549 CG ARG A 38 19.285 -9.768 1.226 1.00 0.00 C ATOM 550 CD ARG A 38 19.246 -10.932 2.204 1.00 0.00 C ATOM 551 NE ARG A 38 20.549 -11.578 2.338 1.00 0.00 N ATOM 552 CZ ARG A 38 20.797 -12.561 3.196 1.00 0.00 C ATOM 553 NH1 ARG A 38 19.835 -13.011 3.990 1.00 0.00 N ATOM 554 NH2 ARG A 38 22.009 -13.098 3.260 1.00 0.00 N ATOM 0 H ARG A 38 19.372 -9.965 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 38 17.181 -11.375 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.887 -8.456 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.168 -9.550 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.982 -9.993 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.660 -8.879 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.916 -10.575 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.511 -11.664 1.868 1.00 0.00 H new ATOM 0 HE ARG A 38 21.310 -11.257 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.902 -12.602 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.028 -13.766 4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.751 -12.756 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.198 -13.853 3.919 1.00 0.00 H new ATOM 568 N LYS A 39 15.144 -10.016 -0.799 1.00 0.00 N ATOM 569 CA LYS A 39 13.959 -9.491 -1.468 1.00 0.00 C ATOM 570 C LYS A 39 12.892 -9.095 -0.453 1.00 0.00 C ATOM 571 O LYS A 39 12.406 -9.915 0.326 1.00 0.00 O ATOM 572 CB LYS A 39 13.393 -10.531 -2.438 1.00 0.00 C ATOM 573 CG LYS A 39 12.076 -10.118 -3.072 1.00 0.00 C ATOM 574 CD LYS A 39 11.894 -10.750 -4.442 1.00 0.00 C ATOM 575 CE LYS A 39 11.559 -12.230 -4.333 1.00 0.00 C ATOM 576 NZ LYS A 39 11.339 -12.848 -5.669 1.00 0.00 N ATOM 0 H LYS A 39 14.950 -10.531 0.060 1.00 0.00 H new ATOM 0 HA LYS A 39 14.252 -8.602 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.123 -10.716 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.251 -11.472 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.251 -10.411 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.040 -9.032 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.098 -10.234 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.806 -10.624 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.370 -12.749 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.665 -12.356 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.113 -13.856 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.549 -12.369 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.201 -12.751 -6.243 1.00 0.00 H new ATOM 590 N PRO A 40 12.517 -7.807 -0.460 1.00 0.00 N ATOM 591 CA PRO A 40 11.502 -7.273 0.453 1.00 0.00 C ATOM 592 C PRO A 40 10.103 -7.784 0.128 1.00 0.00 C ATOM 593 O PRO A 40 9.868 -8.342 -0.945 1.00 0.00 O ATOM 594 CB PRO A 40 11.584 -5.761 0.230 1.00 0.00 C ATOM 595 CG PRO A 40 12.123 -5.611 -1.151 1.00 0.00 C ATOM 596 CD PRO A 40 13.054 -6.773 -1.361 1.00 0.00 C ATOM 0 HA PRO A 40 11.682 -7.576 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.604 -5.293 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.237 -5.287 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.319 -5.618 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.650 -4.664 -1.263 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.054 -7.105 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.082 -6.515 -1.109 1.00 0.00 H new ATOM 604 N THR A 41 9.175 -7.590 1.060 1.00 0.00 N ATOM 605 CA THR A 41 7.799 -8.032 0.872 1.00 0.00 C ATOM 606 C THR A 41 6.811 -6.984 1.372 1.00 0.00 C ATOM 607 O THR A 41 6.972 -6.437 2.463 1.00 0.00 O ATOM 608 CB THR A 41 7.531 -9.362 1.602 1.00 0.00 C ATOM 609 OG1 THR A 41 8.441 -10.366 1.140 1.00 0.00 O ATOM 610 CG2 THR A 41 6.100 -9.825 1.377 1.00 0.00 C ATOM 0 H THR A 41 9.352 -7.130 1.953 1.00 0.00 H new ATOM 0 HA THR A 41 7.658 -8.179 -0.199 1.00 0.00 H new ATOM 0 HB THR A 41 7.680 -9.201 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.265 -11.208 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.935 -10.766 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.410 -9.072 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.928 -9.970 0.310 1.00 0.00 H new ATOM 618 N ILE A 42 5.791 -6.708 0.567 1.00 0.00 N ATOM 619 CA ILE A 42 4.776 -5.726 0.929 1.00 0.00 C ATOM 620 C ILE A 42 3.484 -6.407 1.367 1.00 0.00 C ATOM 621 O ILE A 42 3.190 -7.530 0.957 1.00 0.00 O ATOM 622 CB ILE A 42 4.471 -4.774 -0.242 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.520 -3.663 0.210 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.875 -5.545 -1.410 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.653 -2.390 -0.596 1.00 0.00 C ATOM 0 H ILE A 42 5.645 -7.150 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 42 5.179 -5.148 1.761 1.00 0.00 H new ATOM 0 HB ILE A 42 5.404 -4.317 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.494 -4.023 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.708 -3.440 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.665 -4.858 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.583 -6.304 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.950 -6.027 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.950 -1.647 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.669 -2.006 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.436 -2.598 -1.644 1.00 0.00 H new ATOM 637 N LYS A 43 2.712 -5.718 2.202 1.00 0.00 N ATOM 638 CA LYS A 43 1.448 -6.253 2.694 1.00 0.00 C ATOM 639 C LYS A 43 0.405 -5.149 2.826 1.00 0.00 C ATOM 640 O LYS A 43 0.622 -4.157 3.523 1.00 0.00 O ATOM 641 CB LYS A 43 1.654 -6.940 4.046 1.00 0.00 C ATOM 642 CG LYS A 43 0.480 -7.804 4.473 1.00 0.00 C ATOM 643 CD LYS A 43 0.568 -9.199 3.876 1.00 0.00 C ATOM 644 CE LYS A 43 1.810 -9.934 4.357 1.00 0.00 C ATOM 645 NZ LYS A 43 2.961 -9.741 3.432 1.00 0.00 N ATOM 0 H LYS A 43 2.940 -4.788 2.552 1.00 0.00 H new ATOM 0 HA LYS A 43 1.086 -6.986 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.551 -7.558 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.831 -6.180 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.455 -7.874 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.452 -7.332 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.321 -9.769 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.583 -9.130 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.080 -9.579 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.591 -10.998 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.250 -10.660 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.681 -9.107 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.757 -9.320 3.952 1.00 0.00 H new ATOM 659 N TRP A 44 -0.727 -5.327 2.155 1.00 0.00 N ATOM 660 CA TRP A 44 -1.805 -4.346 2.200 1.00 0.00 C ATOM 661 C TRP A 44 -2.869 -4.751 3.214 1.00 0.00 C ATOM 662 O TRP A 44 -3.333 -5.891 3.219 1.00 0.00 O ATOM 663 CB TRP A 44 -2.436 -4.188 0.816 1.00 0.00 C ATOM 664 CG TRP A 44 -1.428 -4.056 -0.286 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.623 -5.042 -0.782 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.117 -2.871 -1.025 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.170 -4.540 -1.786 1.00 0.00 N ATOM 668 CE2 TRP A 44 -0.114 -3.211 -1.955 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.588 -1.556 -0.994 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.423 -2.282 -2.842 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -1.053 -0.635 -1.876 1.00 0.00 C ATOM 672 CH2 TRP A 44 -0.057 -1.002 -2.790 1.00 0.00 C ATOM 0 H TRP A 44 -0.922 -6.142 1.573 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.380 -3.391 2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.073 -5.049 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.080 -3.309 0.817 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.611 -6.065 -0.436 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.859 -5.071 -2.319 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.356 -1.264 -0.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.192 -2.562 -3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.409 0.384 -1.860 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.340 -0.260 -3.467 1.00 0.00 H new ATOM 683 N PHE A 45 -3.251 -3.810 4.072 1.00 0.00 N ATOM 684 CA PHE A 45 -4.260 -4.071 5.092 1.00 0.00 C ATOM 685 C PHE A 45 -5.382 -3.038 5.023 1.00 0.00 C ATOM 686 O PHE A 45 -5.197 -1.936 4.506 1.00 0.00 O ATOM 687 CB PHE A 45 -3.624 -4.057 6.483 1.00 0.00 C ATOM 688 CG PHE A 45 -2.842 -5.300 6.797 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.489 -6.464 7.181 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.459 -5.305 6.708 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.772 -7.610 7.469 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.737 -6.448 6.995 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.394 -7.601 7.377 1.00 0.00 C ATOM 0 H PHE A 45 -2.877 -2.861 4.081 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.685 -5.057 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.965 -3.193 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.407 -3.932 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.566 -6.476 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.940 -4.406 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.288 -8.511 7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.340 -6.439 6.921 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.831 -8.494 7.603 1.00 0.00 H new ATOM 703 N LYS A 46 -6.547 -3.404 5.547 1.00 0.00 N ATOM 704 CA LYS A 46 -7.700 -2.511 5.547 1.00 0.00 C ATOM 705 C LYS A 46 -8.405 -2.533 6.900 1.00 0.00 C ATOM 706 O LYS A 46 -8.438 -3.560 7.576 1.00 0.00 O ATOM 707 CB LYS A 46 -8.680 -2.911 4.442 1.00 0.00 C ATOM 708 CG LYS A 46 -9.895 -2.005 4.350 1.00 0.00 C ATOM 709 CD LYS A 46 -9.514 -0.605 3.897 1.00 0.00 C ATOM 710 CE LYS A 46 -10.683 0.359 4.023 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.886 -0.129 3.294 1.00 0.00 N ATOM 0 H LYS A 46 -6.718 -4.313 5.977 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.344 -1.498 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.158 -2.904 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.013 -3.934 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.615 -2.431 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.386 -1.953 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.677 -0.243 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.177 -0.636 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.928 0.497 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.393 1.334 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.633 0.594 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.638 -0.317 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.229 -1.005 3.737 1.00 0.00 H new ATOM 725 N GLY A 47 -8.970 -1.394 7.286 1.00 0.00 N ATOM 726 CA GLY A 47 -9.668 -1.305 8.556 1.00 0.00 C ATOM 727 C GLY A 47 -8.752 -1.545 9.739 1.00 0.00 C ATOM 728 O GLY A 47 -7.674 -0.957 9.829 1.00 0.00 O ATOM 0 H GLY A 47 -8.957 -0.531 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.124 -0.319 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.478 -2.034 8.574 1.00 0.00 H new ATOM 732 N LYS A 48 -9.181 -2.410 10.652 1.00 0.00 N ATOM 733 CA LYS A 48 -8.393 -2.727 11.837 1.00 0.00 C ATOM 734 C LYS A 48 -7.725 -4.091 11.697 1.00 0.00 C ATOM 735 O LYS A 48 -6.524 -4.230 11.927 1.00 0.00 O ATOM 736 CB LYS A 48 -9.280 -2.707 13.084 1.00 0.00 C ATOM 737 CG LYS A 48 -8.532 -2.343 14.355 1.00 0.00 C ATOM 738 CD LYS A 48 -9.417 -2.486 15.583 1.00 0.00 C ATOM 739 CE LYS A 48 -8.739 -1.932 16.826 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.234 -2.589 18.068 1.00 0.00 N ATOM 0 H LYS A 48 -10.071 -2.904 10.594 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.615 -1.970 11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.090 -1.994 12.932 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.738 -3.688 13.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.657 -2.984 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.169 -1.318 14.284 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.359 -1.963 15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.660 -3.537 15.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.661 -2.073 16.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.916 -0.858 16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.747 -2.183 18.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.258 -2.433 18.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.042 -3.610 18.021 1.00 0.00 H new ATOM 754 N TRP A 49 -8.510 -5.093 11.319 1.00 0.00 N ATOM 755 CA TRP A 49 -7.993 -6.446 11.147 1.00 0.00 C ATOM 756 C TRP A 49 -8.118 -6.896 9.696 1.00 0.00 C ATOM 757 O TRP A 49 -7.262 -7.619 9.185 1.00 0.00 O ATOM 758 CB TRP A 49 -8.739 -7.419 12.062 1.00 0.00 C ATOM 759 CG TRP A 49 -8.912 -6.906 13.459 1.00 0.00 C ATOM 760 CD1 TRP A 49 -9.939 -6.139 13.930 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.030 -7.121 14.567 1.00 0.00 C ATOM 762 NE1 TRP A 49 -9.749 -5.865 15.263 1.00 0.00 N ATOM 763 CE2 TRP A 49 -8.586 -6.457 15.677 1.00 0.00 C ATOM 764 CE3 TRP A 49 -6.826 -7.812 14.728 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -7.977 -6.463 16.930 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -6.223 -7.817 15.972 1.00 0.00 C ATOM 767 CH2 TRP A 49 -6.799 -7.148 17.059 1.00 0.00 C ATOM 0 H TRP A 49 -9.507 -4.995 11.126 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.937 -6.442 11.417 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.720 -7.628 11.635 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.197 -8.364 12.094 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.778 -5.798 13.341 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.373 -5.311 15.849 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.375 -8.332 13.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -8.418 -5.946 17.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.291 -8.346 16.108 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.304 -7.173 18.018 1.00 0.00 H new ATOM 778 N MET A 50 -9.188 -6.465 9.037 1.00 0.00 N ATOM 779 CA MET A 50 -9.423 -6.824 7.643 1.00 0.00 C ATOM 780 C MET A 50 -8.131 -6.742 6.835 1.00 0.00 C ATOM 781 O MET A 50 -7.573 -5.661 6.647 1.00 0.00 O ATOM 782 CB MET A 50 -10.481 -5.906 7.029 1.00 0.00 C ATOM 783 CG MET A 50 -11.246 -6.543 5.880 1.00 0.00 C ATOM 784 SD MET A 50 -12.019 -5.324 4.799 1.00 0.00 S ATOM 785 CE MET A 50 -10.941 -5.405 3.371 1.00 0.00 C ATOM 0 H MET A 50 -9.906 -5.867 9.445 1.00 0.00 H new ATOM 0 HA MET A 50 -9.784 -7.852 7.615 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.187 -5.610 7.805 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.998 -4.996 6.673 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.566 -7.162 5.295 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.013 -7.205 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.847 -4.413 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.957 -5.760 3.678 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.362 -6.091 2.636 1.00 0.00 H new ATOM 795 N ASP A 51 -7.662 -7.891 6.361 1.00 0.00 N ATOM 796 CA ASP A 51 -6.436 -7.948 5.573 1.00 0.00 C ATOM 797 C ASP A 51 -6.750 -8.137 4.092 1.00 0.00 C ATOM 798 O ASP A 51 -7.341 -9.142 3.695 1.00 0.00 O ATOM 799 CB ASP A 51 -5.540 -9.086 6.066 1.00 0.00 C ATOM 800 CG ASP A 51 -4.258 -9.201 5.267 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.717 -8.152 4.857 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.793 -10.340 5.052 1.00 0.00 O ATOM 0 H ASP A 51 -8.112 -8.795 6.508 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.910 -7.002 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.297 -8.924 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.087 -10.027 6.007 1.00 0.00 H new ATOM 807 N LEU A 52 -6.352 -7.164 3.280 1.00 0.00 N ATOM 808 CA LEU A 52 -6.592 -7.221 1.842 1.00 0.00 C ATOM 809 C LEU A 52 -5.817 -8.371 1.207 1.00 0.00 C ATOM 810 O LEU A 52 -6.334 -9.078 0.343 1.00 0.00 O ATOM 811 CB LEU A 52 -6.195 -5.898 1.186 1.00 0.00 C ATOM 812 CG LEU A 52 -6.748 -4.631 1.840 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.207 -3.392 1.145 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.269 -4.638 1.814 1.00 0.00 C ATOM 0 H LEU A 52 -5.862 -6.326 3.593 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.656 -7.393 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.107 -5.832 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.522 -5.919 0.146 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.422 -4.610 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.611 -2.500 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.119 -3.381 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.502 -3.405 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.645 -3.729 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.615 -4.683 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.638 -5.507 2.358 1.00 0.00 H new ATOM 826 N ALA A 53 -4.574 -8.551 1.642 1.00 0.00 N ATOM 827 CA ALA A 53 -3.729 -9.618 1.118 1.00 0.00 C ATOM 828 C ALA A 53 -4.511 -10.918 0.976 1.00 0.00 C ATOM 829 O ALA A 53 -4.273 -11.700 0.055 1.00 0.00 O ATOM 830 CB ALA A 53 -2.520 -9.823 2.019 1.00 0.00 C ATOM 0 H ALA A 53 -4.130 -7.973 2.355 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.385 -9.322 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.898 -10.622 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.941 -8.901 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.854 -10.093 3.021 1.00 0.00 H new ATOM 836 N SER A 54 -5.446 -11.145 1.893 1.00 0.00 N ATOM 837 CA SER A 54 -6.261 -12.354 1.872 1.00 0.00 C ATOM 838 C SER A 54 -7.468 -12.180 0.955 1.00 0.00 C ATOM 839 O SER A 54 -7.961 -13.143 0.367 1.00 0.00 O ATOM 840 CB SER A 54 -6.727 -12.706 3.286 1.00 0.00 C ATOM 841 OG SER A 54 -7.447 -13.926 3.297 1.00 0.00 O ATOM 0 H SER A 54 -5.658 -10.507 2.660 1.00 0.00 H new ATOM 0 HA SER A 54 -5.648 -13.168 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.864 -12.783 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.356 -11.905 3.675 1.00 0.00 H new ATOM 0 HG SER A 54 -7.732 -14.129 4.212 1.00 0.00 H new ATOM 847 N LYS A 55 -7.940 -10.943 0.837 1.00 0.00 N ATOM 848 CA LYS A 55 -9.088 -10.639 -0.008 1.00 0.00 C ATOM 849 C LYS A 55 -8.720 -10.744 -1.485 1.00 0.00 C ATOM 850 O LYS A 55 -9.567 -11.047 -2.325 1.00 0.00 O ATOM 851 CB LYS A 55 -9.616 -9.235 0.298 1.00 0.00 C ATOM 852 CG LYS A 55 -9.958 -9.020 1.762 1.00 0.00 C ATOM 853 CD LYS A 55 -11.265 -9.699 2.135 1.00 0.00 C ATOM 854 CE LYS A 55 -11.822 -9.156 3.442 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.097 -9.825 3.822 1.00 0.00 N ATOM 0 H LYS A 55 -7.544 -10.135 1.317 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.868 -11.369 0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.869 -8.501 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.505 -9.051 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.154 -9.410 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.031 -7.952 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.994 -9.551 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.105 -10.774 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.088 -9.296 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.989 -8.083 3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.444 -9.427 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.806 -9.670 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.933 -10.845 3.937 1.00 0.00 H new ATOM 869 N ALA A 56 -7.452 -10.494 -1.793 1.00 0.00 N ATOM 870 CA ALA A 56 -6.972 -10.564 -3.167 1.00 0.00 C ATOM 871 C ALA A 56 -7.296 -11.916 -3.794 1.00 0.00 C ATOM 872 O ALA A 56 -6.708 -12.935 -3.434 1.00 0.00 O ATOM 873 CB ALA A 56 -5.473 -10.303 -3.217 1.00 0.00 C ATOM 0 H ALA A 56 -6.739 -10.241 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.484 -9.793 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.128 -10.358 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.263 -9.311 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.953 -11.052 -2.620 1.00 0.00 H new ATOM 879 N GLY A 57 -8.236 -11.918 -4.733 1.00 0.00 N ATOM 880 CA GLY A 57 -8.623 -13.151 -5.394 1.00 0.00 C ATOM 881 C GLY A 57 -9.272 -12.908 -6.742 1.00 0.00 C ATOM 882 O GLY A 57 -8.756 -13.336 -7.775 1.00 0.00 O ATOM 0 H GLY A 57 -8.737 -11.087 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.743 -13.780 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.315 -13.700 -4.755 1.00 0.00 H new ATOM 886 N LYS A 58 -10.408 -12.219 -6.734 1.00 0.00 N ATOM 887 CA LYS A 58 -11.130 -11.918 -7.965 1.00 0.00 C ATOM 888 C LYS A 58 -11.393 -10.421 -8.090 1.00 0.00 C ATOM 889 O LYS A 58 -10.975 -9.786 -9.059 1.00 0.00 O ATOM 890 CB LYS A 58 -12.454 -12.685 -8.003 1.00 0.00 C ATOM 891 CG LYS A 58 -13.185 -12.570 -9.330 1.00 0.00 C ATOM 892 CD LYS A 58 -14.116 -13.749 -9.557 1.00 0.00 C ATOM 893 CE LYS A 58 -15.373 -13.639 -8.708 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.477 -14.486 -9.239 1.00 0.00 N ATOM 0 H LYS A 58 -10.849 -11.858 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.511 -12.231 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.261 -13.737 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.101 -12.316 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.758 -11.643 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.460 -12.516 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.391 -13.799 -10.611 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.595 -14.676 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.147 -13.937 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.698 -12.599 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.316 -14.383 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.710 -14.185 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.177 -15.482 -9.249 1.00 0.00 H new ATOM 908 N HIS A 59 -12.087 -9.862 -7.103 1.00 0.00 N ATOM 909 CA HIS A 59 -12.403 -8.438 -7.103 1.00 0.00 C ATOM 910 C HIS A 59 -11.152 -7.604 -6.845 1.00 0.00 C ATOM 911 O HIS A 59 -11.121 -6.407 -7.137 1.00 0.00 O ATOM 912 CB HIS A 59 -13.463 -8.130 -6.044 1.00 0.00 C ATOM 913 CG HIS A 59 -14.809 -8.707 -6.358 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.510 -8.401 -7.505 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.582 -9.578 -5.668 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.656 -9.057 -7.506 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.724 -9.779 -6.402 1.00 0.00 N ATOM 0 H HIS A 59 -12.441 -10.373 -6.294 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.795 -8.178 -8.086 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.127 -8.517 -5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.556 -7.049 -5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.344 -10.031 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.410 -9.011 -8.278 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.499 -10.387 -6.138 1.00 0.00 H new ATOM 926 N LEU A 60 -10.124 -8.242 -6.298 1.00 0.00 N ATOM 927 CA LEU A 60 -8.870 -7.558 -6.000 1.00 0.00 C ATOM 928 C LEU A 60 -7.677 -8.367 -6.499 1.00 0.00 C ATOM 929 O LEU A 60 -7.698 -9.597 -6.478 1.00 0.00 O ATOM 930 CB LEU A 60 -8.743 -7.316 -4.495 1.00 0.00 C ATOM 931 CG LEU A 60 -7.369 -6.861 -4.002 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.277 -5.343 -4.005 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.092 -7.412 -2.610 1.00 0.00 C ATOM 0 H LEU A 60 -10.133 -9.232 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.877 -6.598 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.478 -6.565 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.006 -8.237 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.612 -7.252 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.292 -5.037 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.430 -4.971 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.043 -4.931 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.110 -7.078 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.853 -7.052 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.114 -8.501 -2.639 1.00 0.00 H new ATOM 945 N GLN A 61 -6.639 -7.667 -6.945 1.00 0.00 N ATOM 946 CA GLN A 61 -5.437 -8.321 -7.448 1.00 0.00 C ATOM 947 C GLN A 61 -4.200 -7.472 -7.172 1.00 0.00 C ATOM 948 O GLN A 61 -4.134 -6.306 -7.561 1.00 0.00 O ATOM 949 CB GLN A 61 -5.564 -8.584 -8.950 1.00 0.00 C ATOM 950 CG GLN A 61 -6.646 -9.592 -9.301 1.00 0.00 C ATOM 951 CD GLN A 61 -6.186 -11.026 -9.130 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.586 -11.610 -10.034 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.464 -11.603 -7.967 1.00 0.00 N ATOM 0 H GLN A 61 -6.606 -6.648 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.327 -9.272 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.776 -7.644 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.607 -8.943 -9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.518 -9.417 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.961 -9.436 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.963 -11.082 -7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.178 -12.567 -7.795 1.00 0.00 H new ATOM 962 N LEU A 62 -3.221 -8.065 -6.497 1.00 0.00 N ATOM 963 CA LEU A 62 -1.985 -7.364 -6.168 1.00 0.00 C ATOM 964 C LEU A 62 -0.920 -7.608 -7.233 1.00 0.00 C ATOM 965 O LEU A 62 -0.979 -8.591 -7.972 1.00 0.00 O ATOM 966 CB LEU A 62 -1.468 -7.815 -4.801 1.00 0.00 C ATOM 967 CG LEU A 62 -2.508 -7.891 -3.682 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.882 -8.438 -2.408 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.122 -6.521 -3.431 1.00 0.00 C ATOM 0 H LEU A 62 -3.259 -9.029 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.200 -6.296 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.012 -8.799 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.678 -7.131 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.301 -8.571 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.637 -8.485 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.490 -9.438 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.070 -7.784 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.860 -6.594 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.340 -5.820 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.607 -6.167 -4.341 1.00 0.00 H new ATOM 981 N LYS A 63 0.055 -6.709 -7.304 1.00 0.00 N ATOM 982 CA LYS A 63 1.137 -6.827 -8.275 1.00 0.00 C ATOM 983 C LYS A 63 2.487 -6.546 -7.623 1.00 0.00 C ATOM 984 O LYS A 63 2.584 -5.735 -6.702 1.00 0.00 O ATOM 985 CB LYS A 63 0.911 -5.862 -9.441 1.00 0.00 C ATOM 986 CG LYS A 63 1.320 -6.430 -10.788 1.00 0.00 C ATOM 987 CD LYS A 63 0.153 -7.108 -11.486 1.00 0.00 C ATOM 988 CE LYS A 63 0.631 -8.076 -12.557 1.00 0.00 C ATOM 989 NZ LYS A 63 -0.464 -8.972 -13.023 1.00 0.00 N ATOM 0 H LYS A 63 0.119 -5.889 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 63 1.142 -7.849 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.144 -5.589 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.472 -4.946 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.707 -5.630 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.129 -7.147 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.450 -7.644 -10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.491 -6.353 -11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.026 -7.515 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.450 -8.678 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.098 -9.617 -13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.824 -9.526 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.235 -8.399 -13.422 1.00 0.00 H new ATOM 1003 N GLU A 64 3.525 -7.220 -8.107 1.00 0.00 N ATOM 1004 CA GLU A 64 4.869 -7.041 -7.571 1.00 0.00 C ATOM 1005 C GLU A 64 5.922 -7.281 -8.649 1.00 0.00 C ATOM 1006 O GLU A 64 5.862 -8.268 -9.383 1.00 0.00 O ATOM 1007 CB GLU A 64 5.103 -7.990 -6.394 1.00 0.00 C ATOM 1008 CG GLU A 64 6.568 -8.314 -6.155 1.00 0.00 C ATOM 1009 CD GLU A 64 7.029 -9.536 -6.925 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.294 -10.546 -6.932 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.125 -9.483 -7.521 1.00 0.00 O ATOM 0 H GLU A 64 3.461 -7.895 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 64 4.959 -6.012 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.686 -7.545 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.559 -8.918 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.177 -7.457 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.731 -8.478 -5.090 1.00 0.00 H new ATOM 1018 N THR A 65 6.886 -6.371 -8.740 1.00 0.00 N ATOM 1019 CA THR A 65 7.951 -6.481 -9.728 1.00 0.00 C ATOM 1020 C THR A 65 9.263 -5.924 -9.188 1.00 0.00 C ATOM 1021 O THR A 65 9.267 -5.046 -8.325 1.00 0.00 O ATOM 1022 CB THR A 65 7.589 -5.741 -11.030 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.511 -6.094 -12.067 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.609 -4.235 -10.818 1.00 0.00 C ATOM 0 H THR A 65 6.951 -5.548 -8.140 1.00 0.00 H new ATOM 0 HA THR A 65 8.072 -7.543 -9.944 1.00 0.00 H new ATOM 0 HB THR A 65 6.582 -6.038 -11.324 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.273 -5.621 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.350 -3.733 -11.750 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.885 -3.966 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.605 -3.925 -10.503 1.00 0.00 H new ATOM 1032 N PHE A 66 10.375 -6.438 -9.702 1.00 0.00 N ATOM 1033 CA PHE A 66 11.695 -5.992 -9.270 1.00 0.00 C ATOM 1034 C PHE A 66 12.481 -5.407 -10.440 1.00 0.00 C ATOM 1035 O PHE A 66 12.439 -5.932 -11.552 1.00 0.00 O ATOM 1036 CB PHE A 66 12.472 -7.154 -8.648 1.00 0.00 C ATOM 1037 CG PHE A 66 13.940 -6.876 -8.490 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.382 -5.893 -7.621 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.876 -7.599 -9.211 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.732 -5.635 -7.472 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.228 -7.347 -9.066 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.656 -6.363 -8.197 1.00 0.00 C ATOM 0 H PHE A 66 10.389 -7.164 -10.418 1.00 0.00 H new ATOM 0 HA PHE A 66 11.560 -5.213 -8.520 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.046 -7.384 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.343 -8.041 -9.269 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.664 -5.321 -7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.546 -8.368 -9.894 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.064 -4.866 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.948 -7.919 -9.632 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.711 -6.163 -8.084 1.00 0.00 H new ATOM 1052 N GLU A 67 13.196 -4.317 -10.179 1.00 0.00 N ATOM 1053 CA GLU A 67 13.990 -3.661 -11.211 1.00 0.00 C ATOM 1054 C GLU A 67 15.460 -3.593 -10.805 1.00 0.00 C ATOM 1055 O GLU A 67 15.902 -2.619 -10.196 1.00 0.00 O ATOM 1056 CB GLU A 67 13.458 -2.251 -11.476 1.00 0.00 C ATOM 1057 CG GLU A 67 12.334 -2.207 -12.498 1.00 0.00 C ATOM 1058 CD GLU A 67 11.862 -0.795 -12.785 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.615 -0.038 -13.432 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.739 -0.447 -12.363 1.00 0.00 O ATOM 0 H GLU A 67 13.242 -3.870 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 67 13.909 -4.250 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.102 -1.824 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.278 -1.622 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.673 -2.668 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.495 -2.800 -12.135 1.00 0.00 H new ATOM 1067 N ARG A 68 16.211 -4.635 -11.148 1.00 0.00 N ATOM 1068 CA ARG A 68 17.629 -4.695 -10.818 1.00 0.00 C ATOM 1069 C ARG A 68 18.357 -3.450 -11.317 1.00 0.00 C ATOM 1070 O ARG A 68 19.375 -3.046 -10.754 1.00 0.00 O ATOM 1071 CB ARG A 68 18.263 -5.947 -11.427 1.00 0.00 C ATOM 1072 CG ARG A 68 17.636 -6.368 -12.746 1.00 0.00 C ATOM 1073 CD ARG A 68 16.531 -7.391 -12.537 1.00 0.00 C ATOM 1074 NE ARG A 68 15.480 -7.276 -13.545 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.652 -7.587 -14.824 1.00 0.00 C ATOM 1076 NH1 ARG A 68 16.827 -8.029 -15.250 1.00 0.00 N ATOM 1077 NH2 ARG A 68 14.648 -7.455 -15.681 1.00 0.00 N ATOM 0 H ARG A 68 15.861 -5.448 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 68 17.722 -4.739 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.327 -5.767 -11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.179 -6.769 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.231 -5.492 -13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.403 -6.787 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.955 -8.394 -12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.098 -7.259 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 68 14.564 -6.938 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.602 -8.131 -14.594 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.956 -8.267 -16.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.743 -7.114 -15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.781 -7.694 -16.664 1.00 0.00 H new ATOM 1091 N HIS A 69 17.828 -2.846 -12.376 1.00 0.00 N ATOM 1092 CA HIS A 69 18.427 -1.647 -12.951 1.00 0.00 C ATOM 1093 C HIS A 69 18.636 -0.579 -11.881 1.00 0.00 C ATOM 1094 O HIS A 69 19.606 0.178 -11.928 1.00 0.00 O ATOM 1095 CB HIS A 69 17.543 -1.097 -14.071 1.00 0.00 C ATOM 1096 CG HIS A 69 16.896 -2.162 -14.901 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.728 -2.796 -14.534 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.259 -2.704 -16.087 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.401 -3.683 -15.457 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.314 -3.646 -16.411 1.00 0.00 N ATOM 0 H HIS A 69 16.986 -3.167 -12.853 1.00 0.00 H new ATOM 0 HA HIS A 69 19.398 -1.918 -13.365 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.768 -0.467 -13.635 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.145 -0.459 -14.718 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.130 -2.444 -16.670 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.535 -4.328 -15.435 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.317 -4.223 -17.252 1.00 0.00 H new ATOM 1109 N SER A 70 17.720 -0.523 -10.920 1.00 0.00 N ATOM 1110 CA SER A 70 17.802 0.456 -9.842 1.00 0.00 C ATOM 1111 C SER A 70 17.775 -0.233 -8.480 1.00 0.00 C ATOM 1112 O SER A 70 17.953 0.409 -7.445 1.00 0.00 O ATOM 1113 CB SER A 70 16.649 1.456 -9.943 1.00 0.00 C ATOM 1114 OG SER A 70 16.857 2.367 -11.009 1.00 0.00 O ATOM 0 H SER A 70 16.912 -1.144 -10.866 1.00 0.00 H new ATOM 0 HA SER A 70 18.746 0.991 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.712 0.921 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.555 2.004 -9.005 1.00 0.00 H new ATOM 0 HG SER A 70 16.106 2.995 -11.054 1.00 0.00 H new ATOM 1120 N ARG A 71 17.551 -1.543 -8.491 1.00 0.00 N ATOM 1121 CA ARG A 71 17.498 -2.319 -7.258 1.00 0.00 C ATOM 1122 C ARG A 71 16.318 -1.887 -6.393 1.00 0.00 C ATOM 1123 O ARG A 71 16.463 -1.665 -5.191 1.00 0.00 O ATOM 1124 CB ARG A 71 18.803 -2.160 -6.475 1.00 0.00 C ATOM 1125 CG ARG A 71 20.037 -2.585 -7.254 1.00 0.00 C ATOM 1126 CD ARG A 71 21.133 -3.091 -6.329 1.00 0.00 C ATOM 1127 NE ARG A 71 22.465 -2.866 -6.885 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.533 -3.578 -6.544 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.426 -4.556 -5.654 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.711 -3.313 -7.093 1.00 0.00 N ATOM 0 H ARG A 71 17.403 -2.089 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 71 17.366 -3.368 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 71 18.913 -1.117 -6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.741 -2.748 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.769 -3.367 -7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.410 -1.742 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.053 -2.590 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 71 20.991 -4.156 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 71 22.581 -2.122 -7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.522 -4.763 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.248 -5.101 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.797 -2.562 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.531 -3.860 -6.830 1.00 0.00 H new ATOM 1144 N VAL A 72 15.148 -1.770 -7.014 1.00 0.00 N ATOM 1145 CA VAL A 72 13.942 -1.365 -6.301 1.00 0.00 C ATOM 1146 C VAL A 72 12.736 -2.179 -6.757 1.00 0.00 C ATOM 1147 O VAL A 72 12.487 -2.321 -7.955 1.00 0.00 O ATOM 1148 CB VAL A 72 13.645 0.132 -6.506 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.354 0.521 -5.801 1.00 0.00 C ATOM 1150 CG2 VAL A 72 14.808 0.978 -6.011 1.00 0.00 C ATOM 0 H VAL A 72 15.010 -1.950 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 72 14.122 -1.550 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 72 13.519 0.317 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.160 1.582 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.528 -0.062 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.448 0.322 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.581 2.033 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 72 14.968 0.791 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.710 0.717 -6.565 1.00 0.00 H new ATOM 1160 N TYR A 73 11.989 -2.709 -5.795 1.00 0.00 N ATOM 1161 CA TYR A 73 10.809 -3.511 -6.097 1.00 0.00 C ATOM 1162 C TYR A 73 9.565 -2.633 -6.196 1.00 0.00 C ATOM 1163 O TYR A 73 9.203 -1.938 -5.246 1.00 0.00 O ATOM 1164 CB TYR A 73 10.606 -4.583 -5.025 1.00 0.00 C ATOM 1165 CG TYR A 73 11.735 -5.586 -4.951 1.00 0.00 C ATOM 1166 CD1 TYR A 73 12.966 -5.237 -4.408 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.571 -6.882 -5.423 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.000 -6.151 -4.339 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.599 -7.803 -5.356 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.812 -7.432 -4.814 1.00 0.00 C ATOM 1171 OH TYR A 73 14.839 -8.345 -4.746 1.00 0.00 O ATOM 0 H TYR A 73 12.180 -2.598 -4.799 1.00 0.00 H new ATOM 0 HA TYR A 73 10.968 -3.996 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.497 -4.099 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.674 -5.112 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.117 -4.235 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.623 -7.175 -5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.951 -5.864 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.454 -8.807 -5.726 1.00 0.00 H new ATOM 0 HH TYR A 73 15.310 -8.244 -3.893 1.00 0.00 H new ATOM 1181 N THR A 74 8.913 -2.669 -7.354 1.00 0.00 N ATOM 1182 CA THR A 74 7.710 -1.878 -7.580 1.00 0.00 C ATOM 1183 C THR A 74 6.454 -2.713 -7.359 1.00 0.00 C ATOM 1184 O THR A 74 6.084 -3.530 -8.202 1.00 0.00 O ATOM 1185 CB THR A 74 7.681 -1.294 -9.004 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.889 -0.569 -9.262 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.483 -0.374 -9.188 1.00 0.00 C ATOM 0 H THR A 74 9.199 -3.238 -8.151 1.00 0.00 H new ATOM 0 HA THR A 74 7.730 -1.059 -6.861 1.00 0.00 H new ATOM 0 HB THR A 74 7.596 -2.121 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.863 -0.202 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.484 0.026 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.564 -0.936 -9.021 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.542 0.447 -8.474 1.00 0.00 H new ATOM 1195 N PHE A 75 5.800 -2.500 -6.222 1.00 0.00 N ATOM 1196 CA PHE A 75 4.584 -3.234 -5.890 1.00 0.00 C ATOM 1197 C PHE A 75 3.346 -2.385 -6.163 1.00 0.00 C ATOM 1198 O PHE A 75 3.310 -1.199 -5.836 1.00 0.00 O ATOM 1199 CB PHE A 75 4.608 -3.666 -4.423 1.00 0.00 C ATOM 1200 CG PHE A 75 5.921 -4.252 -3.991 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.464 -5.337 -4.661 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.613 -3.720 -2.915 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.673 -5.879 -4.267 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.822 -4.258 -2.517 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.352 -5.339 -3.193 1.00 0.00 C ATOM 0 H PHE A 75 6.092 -1.825 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 75 4.541 -4.122 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.380 -2.805 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.819 -4.400 -4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.936 -5.764 -5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.203 -2.875 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.086 -6.724 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.352 -3.833 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.296 -5.761 -2.882 1.00 0.00 H new ATOM 1215 N GLU A 76 2.334 -3.002 -6.764 1.00 0.00 N ATOM 1216 CA GLU A 76 1.094 -2.303 -7.082 1.00 0.00 C ATOM 1217 C GLU A 76 -0.112 -3.053 -6.525 1.00 0.00 C ATOM 1218 O GLU A 76 -0.003 -4.209 -6.116 1.00 0.00 O ATOM 1219 CB GLU A 76 0.950 -2.137 -8.597 1.00 0.00 C ATOM 1220 CG GLU A 76 2.171 -1.521 -9.260 1.00 0.00 C ATOM 1221 CD GLU A 76 2.243 -1.824 -10.744 1.00 0.00 C ATOM 1222 OE1 GLU A 76 1.671 -1.047 -11.537 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.871 -2.838 -11.113 1.00 0.00 O ATOM 0 H GLU A 76 2.348 -3.984 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 76 1.133 -1.318 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.757 -3.112 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.081 -1.513 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.153 -0.441 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.072 -1.894 -8.773 1.00 0.00 H new ATOM 1230 N MET A 77 -1.262 -2.386 -6.512 1.00 0.00 N ATOM 1231 CA MET A 77 -2.489 -2.990 -6.005 1.00 0.00 C ATOM 1232 C MET A 77 -3.659 -2.712 -6.944 1.00 0.00 C ATOM 1233 O MET A 77 -4.254 -1.636 -6.905 1.00 0.00 O ATOM 1234 CB MET A 77 -2.804 -2.458 -4.606 1.00 0.00 C ATOM 1235 CG MET A 77 -4.110 -2.987 -4.035 1.00 0.00 C ATOM 1236 SD MET A 77 -4.232 -2.754 -2.251 1.00 0.00 S ATOM 1237 CE MET A 77 -4.488 -0.984 -2.158 1.00 0.00 C ATOM 0 H MET A 77 -1.370 -1.428 -6.846 1.00 0.00 H new ATOM 0 HA MET A 77 -2.339 -4.068 -5.950 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.989 -2.723 -3.933 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.847 -1.369 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.945 -2.483 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.200 -4.048 -4.266 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.370 -0.653 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.757 -0.477 -2.787 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.493 -0.743 -2.504 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.982 -3.689 -7.785 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.080 -3.547 -8.734 1.00 0.00 C ATOM 1249 C GLN A 78 -6.407 -3.941 -8.093 1.00 0.00 C ATOM 1250 O GLN A 78 -6.640 -5.112 -7.795 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.825 -4.406 -9.974 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.244 -3.737 -11.273 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.069 -4.641 -12.477 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.011 -4.873 -13.236 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.860 -5.158 -12.660 1.00 0.00 N ATOM 0 H GLN A 78 -3.500 -4.587 -7.829 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.137 -2.500 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.764 -4.649 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.363 -5.348 -9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.288 -3.433 -11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.657 -2.830 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.108 -4.940 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.683 -5.774 -13.454 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.273 -2.955 -7.884 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.576 -3.199 -7.279 1.00 0.00 C ATOM 1266 C ILE A 79 -9.680 -3.190 -8.331 1.00 0.00 C ATOM 1267 O ILE A 79 -10.039 -2.138 -8.861 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.902 -2.148 -6.201 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.833 -2.161 -5.106 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.278 -2.408 -5.607 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.340 -1.691 -3.761 1.00 0.00 C ATOM 0 H ILE A 79 -7.096 -1.980 -8.125 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.528 -4.183 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.908 -1.162 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.441 -3.173 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.002 -1.527 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.494 -1.657 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.030 -2.354 -6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.297 -3.399 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.529 -1.727 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.705 -0.668 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.152 -2.339 -3.431 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.217 -4.369 -8.626 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.283 -4.498 -9.612 1.00 0.00 C ATOM 1285 C ILE A 80 -12.655 -4.433 -8.950 1.00 0.00 C ATOM 1286 O ILE A 80 -12.830 -4.873 -7.814 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.166 -5.816 -10.399 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.696 -6.151 -10.661 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.935 -5.722 -11.709 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.074 -7.020 -9.590 1.00 0.00 C ATOM 0 H ILE A 80 -9.931 -5.249 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.176 -3.662 -10.303 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.601 -6.617 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.613 -6.658 -11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.129 -5.224 -10.740 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.842 -6.662 -12.254 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.987 -5.526 -11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.527 -4.911 -12.313 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.032 -7.217 -9.841 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.125 -6.507 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.617 -7.963 -9.526 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.627 -3.883 -9.669 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.986 -3.763 -9.155 1.00 0.00 C ATOM 1304 C LYS A 81 -14.980 -3.263 -7.714 1.00 0.00 C ATOM 1305 O LYS A 81 -15.594 -3.866 -6.835 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.705 -5.112 -9.234 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.683 -5.732 -10.620 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.876 -6.646 -10.841 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.669 -7.552 -12.045 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.434 -8.824 -11.921 1.00 0.00 N ATOM 0 H LYS A 81 -13.499 -3.513 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.518 -3.038 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.243 -5.803 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.741 -4.981 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.683 -4.943 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.761 -6.298 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.040 -7.254 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.774 -6.045 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.978 -7.029 -12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.608 -7.776 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.266 -9.413 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.121 -9.336 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.449 -8.612 -11.844 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.283 -2.155 -7.480 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.200 -1.572 -6.146 1.00 0.00 C ATOM 1326 C ALA A 82 -15.589 -1.280 -5.588 1.00 0.00 C ATOM 1327 O ALA A 82 -16.384 -0.574 -6.209 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.364 -0.302 -6.177 1.00 0.00 C ATOM 0 H ALA A 82 -13.768 -1.644 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.718 -2.295 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.310 0.123 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.358 -0.537 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.823 0.420 -6.853 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.876 -1.829 -4.412 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.169 -1.627 -3.768 1.00 0.00 C ATOM 1336 C LYS A 83 -17.078 -0.550 -2.692 1.00 0.00 C ATOM 1337 O LYS A 83 -15.999 -0.029 -2.411 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.665 -2.937 -3.153 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.327 -4.165 -3.982 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.526 -5.445 -3.188 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.815 -6.621 -3.840 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.307 -7.926 -3.317 1.00 0.00 N ATOM 0 H LYS A 83 -15.230 -2.417 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.878 -1.298 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.231 -3.049 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.746 -2.882 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.954 -4.187 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.293 -4.103 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.150 -5.308 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.591 -5.662 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.964 -6.583 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.742 -6.540 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.530 -8.618 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.652 -7.802 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.083 -8.270 -3.918 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.218 -0.221 -2.093 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.267 0.792 -1.046 1.00 0.00 C ATOM 1358 C ASP A 84 -17.488 0.339 0.185 1.00 0.00 C ATOM 1359 O ASP A 84 -17.291 1.109 1.124 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.717 1.093 -0.665 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.232 0.172 0.424 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.972 0.456 1.612 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.895 -0.832 0.089 1.00 0.00 O ATOM 0 H ASP A 84 -19.120 -0.642 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.805 1.701 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.794 2.127 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.349 0.996 -1.548 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.048 -0.915 0.173 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.291 -1.471 1.289 1.00 0.00 C ATOM 1370 C ASN A 85 -14.794 -1.252 1.094 1.00 0.00 C ATOM 1371 O ASN A 85 -14.009 -1.385 2.033 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.585 -2.965 1.437 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.028 -3.235 1.819 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -18.941 -3.040 1.017 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.239 -3.686 3.050 1.00 0.00 N ATOM 0 H ASN A 85 -17.203 -1.566 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.600 -0.955 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.359 -3.472 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.926 -3.389 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.189 -3.885 3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.451 -3.833 3.681 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.406 -0.916 -0.132 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.002 -0.679 -0.451 1.00 0.00 C ATOM 1384 C PHE A 86 -12.581 0.728 -0.038 1.00 0.00 C ATOM 1385 O PHE A 86 -11.405 1.083 -0.116 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.757 -0.879 -1.948 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.888 -2.308 -2.391 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.050 -3.020 -2.142 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.850 -2.938 -3.057 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.173 -4.335 -2.549 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.967 -4.253 -3.467 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.131 -4.952 -3.213 1.00 0.00 C ATOM 0 H PHE A 86 -15.043 -0.802 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.401 -1.397 0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.464 -0.267 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.758 -0.520 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.869 -2.542 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.938 -2.395 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.084 -4.880 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.150 -4.733 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.226 -5.979 -3.533 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.550 1.525 0.400 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.280 2.893 0.826 1.00 0.00 C ATOM 1404 C ALA A 87 -13.152 2.980 2.343 1.00 0.00 C ATOM 1405 O ALA A 87 -14.122 2.773 3.071 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.376 3.826 0.333 1.00 0.00 C ATOM 0 H ALA A 87 -14.529 1.247 0.469 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.331 3.203 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.161 4.844 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.418 3.795 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.335 3.509 0.743 1.00 0.00 H new ATOM 1412 N GLY A 88 -11.947 3.287 2.815 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.714 3.395 4.243 1.00 0.00 C ATOM 1414 C GLY A 88 -10.274 3.736 4.572 1.00 0.00 C ATOM 1415 O GLY A 88 -9.672 4.597 3.932 1.00 0.00 O ATOM 0 H GLY A 88 -11.128 3.463 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.369 4.161 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.980 2.453 4.724 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.722 3.060 5.574 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.344 3.298 5.988 1.00 0.00 C ATOM 1421 C ASN A 89 -7.455 2.112 5.625 1.00 0.00 C ATOM 1422 O ASN A 89 -7.626 1.011 6.149 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.280 3.555 7.495 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.855 3.672 8.001 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.432 2.918 8.877 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.108 4.622 7.451 1.00 0.00 N ATOM 0 H ASN A 89 -10.207 2.344 6.114 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.979 4.179 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.822 4.472 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.784 2.744 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.142 4.749 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.500 5.224 6.727 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.505 2.345 4.727 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.589 1.297 4.292 1.00 0.00 C ATOM 1435 C TYR A 90 -4.284 1.352 5.080 1.00 0.00 C ATOM 1436 O TYR A 90 -3.872 2.415 5.547 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.301 1.431 2.796 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.421 0.924 1.916 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.707 1.438 2.029 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.193 -0.068 0.970 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.733 0.977 1.228 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.213 -0.534 0.163 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.482 -0.008 0.296 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.501 -0.469 -0.505 1.00 0.00 O ATOM 0 H TYR A 90 -6.349 3.251 4.285 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.064 0.334 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.113 2.479 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.388 0.884 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.908 2.211 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.201 -0.482 0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.727 1.386 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.018 -1.305 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.358 -0.130 -0.171 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.638 0.200 5.223 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.379 0.116 5.955 1.00 0.00 C ATOM 1456 C ARG A 91 -1.384 -0.780 5.223 1.00 0.00 C ATOM 1457 O ARG A 91 -1.656 -1.956 4.978 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.621 -0.420 7.367 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.345 -0.621 8.169 1.00 0.00 C ATOM 1460 CD ARG A 91 -0.728 0.708 8.577 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.267 1.195 9.844 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.336 1.979 9.935 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.976 2.362 8.839 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -2.765 2.381 11.124 1.00 0.00 N ATOM 0 H ARG A 91 -3.965 -0.688 4.842 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.958 1.119 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.272 0.271 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.152 -1.370 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.563 -1.211 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.628 -1.190 7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.353 0.595 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.911 1.447 7.797 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.797 0.918 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.648 2.055 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.796 2.964 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.274 2.088 11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.586 2.983 11.193 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.232 -0.216 4.877 1.00 0.00 N ATOM 1479 CA CYS A 92 0.803 -0.964 4.172 1.00 0.00 C ATOM 1480 C CYS A 92 2.017 -1.187 5.067 1.00 0.00 C ATOM 1481 O CYS A 92 2.434 -0.290 5.799 1.00 0.00 O ATOM 1482 CB CYS A 92 1.221 -0.222 2.901 1.00 0.00 C ATOM 1483 SG CYS A 92 2.612 -0.978 2.028 1.00 0.00 S ATOM 0 H CYS A 92 0.009 0.756 5.073 1.00 0.00 H new ATOM 0 HA CYS A 92 0.392 -1.936 3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.367 -0.171 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.484 0.803 3.162 1.00 0.00 H new ATOM 0 HG CYS A 92 3.093 -0.134 1.165 1.00 0.00 H new ATOM 1489 N GLU A 93 2.579 -2.391 5.004 1.00 0.00 N ATOM 1490 CA GLU A 93 3.744 -2.732 5.811 1.00 0.00 C ATOM 1491 C GLU A 93 4.746 -3.550 5.002 1.00 0.00 C ATOM 1492 O GLU A 93 4.414 -4.609 4.469 1.00 0.00 O ATOM 1493 CB GLU A 93 3.318 -3.514 7.056 1.00 0.00 C ATOM 1494 CG GLU A 93 2.645 -2.655 8.113 1.00 0.00 C ATOM 1495 CD GLU A 93 2.490 -3.375 9.438 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.010 -4.528 9.435 1.00 0.00 O ATOM 1497 OE2 GLU A 93 2.848 -2.785 10.479 1.00 0.00 O ATOM 0 H GLU A 93 2.246 -3.145 4.403 1.00 0.00 H new ATOM 0 HA GLU A 93 4.224 -1.804 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.636 -4.311 6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.195 -3.992 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.229 -1.747 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.663 -2.347 7.754 1.00 0.00 H new ATOM 1504 N VAL A 94 5.975 -3.051 4.914 1.00 0.00 N ATOM 1505 CA VAL A 94 7.027 -3.735 4.170 1.00 0.00 C ATOM 1506 C VAL A 94 8.288 -3.884 5.013 1.00 0.00 C ATOM 1507 O VAL A 94 9.013 -2.915 5.243 1.00 0.00 O ATOM 1508 CB VAL A 94 7.376 -2.983 2.872 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.827 -1.564 3.182 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.446 -3.733 2.094 1.00 0.00 C ATOM 0 H VAL A 94 6.267 -2.176 5.349 1.00 0.00 H new ATOM 0 HA VAL A 94 6.644 -4.724 3.917 1.00 0.00 H new ATOM 0 HB VAL A 94 6.481 -2.927 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.069 -1.048 2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.026 -1.031 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.709 -1.594 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.681 -3.188 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.345 -3.822 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.081 -4.728 1.839 1.00 0.00 H new ATOM 1520 N THR A 95 8.546 -5.104 5.472 1.00 0.00 N ATOM 1521 CA THR A 95 9.719 -5.381 6.291 1.00 0.00 C ATOM 1522 C THR A 95 10.892 -5.843 5.433 1.00 0.00 C ATOM 1523 O THR A 95 10.778 -6.809 4.677 1.00 0.00 O ATOM 1524 CB THR A 95 9.422 -6.455 7.354 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.122 -6.241 7.916 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.468 -6.427 8.458 1.00 0.00 C ATOM 0 H THR A 95 7.958 -5.917 5.290 1.00 0.00 H new ATOM 0 HA THR A 95 9.982 -4.449 6.791 1.00 0.00 H new ATOM 0 HB THR A 95 9.453 -7.432 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.015 -5.293 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.237 -7.194 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.453 -6.618 8.031 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.465 -5.448 8.938 1.00 0.00 H new ATOM 1534 N TYR A 96 12.017 -5.148 5.555 1.00 0.00 N ATOM 1535 CA TYR A 96 13.211 -5.487 4.788 1.00 0.00 C ATOM 1536 C TYR A 96 14.334 -5.957 5.708 1.00 0.00 C ATOM 1537 O TYR A 96 14.246 -5.832 6.930 1.00 0.00 O ATOM 1538 CB TYR A 96 13.677 -4.281 3.971 1.00 0.00 C ATOM 1539 CG TYR A 96 14.742 -4.615 2.952 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.649 -5.760 2.170 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.842 -3.785 2.769 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.620 -6.069 1.238 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.817 -4.086 1.838 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.702 -5.229 1.075 1.00 0.00 C ATOM 1545 OH TYR A 96 17.670 -5.533 0.146 1.00 0.00 O ATOM 0 H TYR A 96 12.128 -4.347 6.177 1.00 0.00 H new ATOM 0 HA TYR A 96 12.957 -6.301 4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.819 -3.847 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.061 -3.520 4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.803 -6.420 2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.936 -2.889 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.533 -6.964 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.665 -3.430 1.708 1.00 0.00 H new ATOM 0 HH TYR A 96 17.267 -6.031 -0.595 1.00 0.00 H new ATOM 1611 N PHE A 100 12.680 -1.820 8.706 1.00 0.00 N ATOM 1612 CA PHE A 100 11.272 -2.037 8.395 1.00 0.00 C ATOM 1613 C PHE A 100 10.519 -0.711 8.331 1.00 0.00 C ATOM 1614 O PHE A 100 10.568 0.089 9.265 1.00 0.00 O ATOM 1615 CB PHE A 100 10.631 -2.950 9.442 1.00 0.00 C ATOM 1616 CG PHE A 100 9.150 -2.749 9.586 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.312 -2.853 8.487 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.594 -2.456 10.822 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.949 -2.669 8.617 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.232 -2.272 10.958 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.408 -2.377 9.854 1.00 0.00 C ATOM 0 HA PHE A 100 11.211 -2.517 7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.824 -3.989 9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.109 -2.775 10.406 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.730 -3.081 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.233 -2.371 11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.307 -2.753 7.752 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.811 -2.046 11.927 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.343 -2.231 9.958 1.00 0.00 H new ATOM 1631 N ASP A 101 9.823 -0.486 7.222 1.00 0.00 N ATOM 1632 CA ASP A 101 9.058 0.741 7.035 1.00 0.00 C ATOM 1633 C ASP A 101 7.569 0.439 6.897 1.00 0.00 C ATOM 1634 O ASP A 101 7.184 -0.652 6.477 1.00 0.00 O ATOM 1635 CB ASP A 101 9.555 1.493 5.799 1.00 0.00 C ATOM 1636 CG ASP A 101 9.036 2.916 5.740 1.00 0.00 C ATOM 1637 OD1 ASP A 101 7.845 3.100 5.414 1.00 0.00 O ATOM 1638 OD2 ASP A 101 9.821 3.847 6.018 1.00 0.00 O ATOM 0 H ASP A 101 9.773 -1.138 6.439 1.00 0.00 H new ATOM 0 HA ASP A 101 9.203 1.367 7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.645 1.507 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.243 0.958 4.902 1.00 0.00 H new ATOM 1643 N SER A 102 6.737 1.411 7.255 1.00 0.00 N ATOM 1644 CA SER A 102 5.291 1.247 7.177 1.00 0.00 C ATOM 1645 C SER A 102 4.610 2.575 6.857 1.00 0.00 C ATOM 1646 O SER A 102 5.175 3.645 7.085 1.00 0.00 O ATOM 1647 CB SER A 102 4.747 0.687 8.492 1.00 0.00 C ATOM 1648 OG SER A 102 3.341 0.841 8.570 1.00 0.00 O ATOM 0 H SER A 102 7.040 2.321 7.602 1.00 0.00 H new ATOM 0 HA SER A 102 5.074 0.543 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.005 -0.369 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.219 1.198 9.331 1.00 0.00 H new ATOM 0 HG SER A 102 2.926 0.473 7.762 1.00 0.00 H new ATOM 1654 N CYS A 103 3.394 2.496 6.328 1.00 0.00 N ATOM 1655 CA CYS A 103 2.635 3.691 5.975 1.00 0.00 C ATOM 1656 C CYS A 103 1.138 3.400 5.961 1.00 0.00 C ATOM 1657 O CYS A 103 0.721 2.243 5.896 1.00 0.00 O ATOM 1658 CB CYS A 103 3.077 4.216 4.608 1.00 0.00 C ATOM 1659 SG CYS A 103 2.762 3.075 3.242 1.00 0.00 S ATOM 0 H CYS A 103 2.913 1.618 6.134 1.00 0.00 H new ATOM 0 HA CYS A 103 2.832 4.452 6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.563 5.156 4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.144 4.438 4.643 1.00 0.00 H new ATOM 0 HG CYS A 103 3.517 3.389 2.231 1.00 0.00 H new ATOM 1665 N SER A 104 0.334 4.456 6.025 1.00 0.00 N ATOM 1666 CA SER A 104 -1.117 4.314 6.026 1.00 0.00 C ATOM 1667 C SER A 104 -1.769 5.397 5.172 1.00 0.00 C ATOM 1668 O SER A 104 -1.186 6.456 4.940 1.00 0.00 O ATOM 1669 CB SER A 104 -1.656 4.382 7.456 1.00 0.00 C ATOM 1670 OG SER A 104 -1.450 5.666 8.019 1.00 0.00 O ATOM 0 H SER A 104 0.663 5.420 6.077 1.00 0.00 H new ATOM 0 HA SER A 104 -1.363 3.342 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.720 4.147 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.162 3.629 8.070 1.00 0.00 H new ATOM 0 HG SER A 104 -1.805 5.683 8.932 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.984 5.124 4.708 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.717 6.073 3.879 1.00 0.00 C ATOM 1678 C PHE A 105 -5.220 5.822 3.962 1.00 0.00 C ATOM 1679 O PHE A 105 -5.672 4.937 4.689 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.253 5.977 2.424 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.897 4.581 1.999 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.702 4.005 2.396 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.759 3.845 1.201 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.372 2.720 2.007 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.435 2.560 0.810 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.239 1.997 1.212 1.00 0.00 C ATOM 0 H PHE A 105 -3.482 4.253 4.892 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.513 7.076 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.041 6.356 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.386 6.623 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.020 4.566 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.694 4.281 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.437 2.282 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.116 1.996 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.983 0.994 0.905 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.987 6.606 3.213 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.439 6.469 3.201 1.00 0.00 C ATOM 1698 C ASP A 106 -7.968 6.419 1.772 1.00 0.00 C ATOM 1699 O ASP A 106 -7.565 7.213 0.921 1.00 0.00 O ATOM 1700 CB ASP A 106 -8.088 7.628 3.959 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.468 8.967 3.610 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.280 9.239 2.406 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.171 9.743 4.542 1.00 0.00 O ATOM 0 H ASP A 106 -5.628 7.343 2.606 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.695 5.533 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.154 7.655 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.994 7.455 5.031 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.873 5.481 1.514 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.457 5.326 0.186 1.00 0.00 C ATOM 1710 C LEU A 107 -10.945 5.664 0.203 1.00 0.00 C ATOM 1711 O LEU A 107 -11.647 5.364 1.168 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.253 3.897 -0.320 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.235 3.718 -1.838 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -8.936 2.272 -2.202 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -10.560 4.159 -2.443 1.00 0.00 C ATOM 0 H LEU A 107 -9.218 4.817 2.207 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.953 6.018 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.311 3.522 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.046 3.271 0.090 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.444 4.345 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.927 2.164 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.962 1.990 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.704 1.624 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.529 4.025 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.368 3.559 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.733 5.210 -2.213 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.418 6.286 -0.872 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.822 6.663 -0.980 1.00 0.00 C ATOM 1729 C GLU A 108 -13.478 5.979 -2.176 1.00 0.00 C ATOM 1730 O GLU A 108 -12.813 5.643 -3.156 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.958 8.181 -1.109 1.00 0.00 C ATOM 1732 CG GLU A 108 -13.112 8.894 0.224 1.00 0.00 C ATOM 1733 CD GLU A 108 -14.480 8.685 0.843 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -15.118 7.656 0.535 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -14.913 9.548 1.634 1.00 0.00 O ATOM 0 H GLU A 108 -10.850 6.539 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.330 6.337 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.080 8.574 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.821 8.408 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.347 8.537 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.940 9.961 0.083 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.789 5.776 -2.088 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.537 5.133 -3.162 1.00 0.00 C ATOM 1744 C VAL A 109 -16.829 5.884 -3.459 1.00 0.00 C ATOM 1745 O VAL A 109 -17.674 6.060 -2.579 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.874 3.670 -2.815 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.660 3.021 -3.943 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.604 2.887 -2.519 1.00 0.00 C ATOM 0 H VAL A 109 -15.355 6.048 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.899 5.151 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.496 3.661 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.889 1.988 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.589 3.569 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -16.067 3.039 -4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.861 1.856 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.955 2.903 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.085 3.341 -1.674 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.979 6.326 -4.703 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.171 7.058 -5.117 1.00 0.00 C ATOM 1760 C HIS A 110 -19.105 6.164 -5.926 1.00 0.00 C ATOM 1761 O HIS A 110 -18.654 5.311 -6.690 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.780 8.286 -5.941 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.031 9.320 -5.157 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.879 10.622 -5.583 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.392 9.237 -3.967 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.177 11.296 -4.690 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.869 10.478 -3.699 1.00 0.00 N ATOM 0 H HIS A 110 -16.290 6.190 -5.443 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.697 7.384 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.168 7.967 -6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.682 8.738 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.309 8.359 -3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.902 12.338 -4.758 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.330 10.728 -2.870 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.407 6.365 -5.752 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.404 5.575 -6.465 1.00 0.00 C ATOM 1778 C GLU A 111 -21.311 5.813 -7.970 1.00 0.00 C ATOM 1779 O GLU A 111 -21.328 6.954 -8.431 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.810 5.918 -5.970 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.053 5.538 -4.519 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.518 5.284 -4.220 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.063 4.283 -4.730 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -25.119 6.087 -3.476 1.00 0.00 O ATOM 0 H GLU A 111 -20.796 7.068 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.205 4.522 -6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.977 6.988 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.541 5.409 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.477 4.644 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.687 6.335 -3.872 1.00 0.00 H new ATOM 1791 N SER A 112 -21.212 4.727 -8.730 1.00 0.00 N ATOM 1792 CA SER A 112 -21.112 4.816 -10.182 1.00 0.00 C ATOM 1793 C SER A 112 -22.464 5.161 -10.799 1.00 0.00 C ATOM 1794 O SER A 112 -23.340 4.304 -10.925 1.00 0.00 O ATOM 1795 CB SER A 112 -20.596 3.497 -10.761 1.00 0.00 C ATOM 1796 OG SER A 112 -20.549 3.546 -12.176 1.00 0.00 O ATOM 0 H SER A 112 -21.199 3.775 -8.364 1.00 0.00 H new ATOM 0 HA SER A 112 -20.407 5.611 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.601 3.288 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.243 2.679 -10.443 1.00 0.00 H new ATOM 0 HG SER A 112 -20.215 2.692 -12.522 1.00 0.00 H new