USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 58:sc= 1.36 USER MOD Set 1.2: A 80 TYR OH : rot -143:sc= 0.3 USER MOD Set 2.1: A 28 THR OG1 : rot 119:sc= 0.703 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0.517 USER MOD Set 3.1: A 26 THR OG1 : rot -52:sc= 1.27 USER MOD Set 3.2: A 68 HIS : no HD1:sc= 0.991 K(o=2.3,f=-4.8!) USER MOD Single : A 12 MET CE :methyl 175:sc= -0.402 (180deg=-0.47) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.474 K(o=-0.47,f=-2.7!) USER MOD Single : A 17 TYR OH : rot 100:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 161:sc= -0.0546 (180deg=-0.424) USER MOD Single : A 29 CYS SG : rot 10:sc= -0.179 USER MOD Single : A 34 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.993 (180deg=0.916) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.86 (180deg=1.73) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.507 USER MOD Single : A 54 HIS : no HD1:sc= -0.0993 K(o=-0.099,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.716 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.368 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -54:sc= 0.865 USER MOD Single : A 79 ASN : amide:sc= -0.0348 K(o=-0.035,f=-2.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -166:sc=-0.00512 (180deg=-0.211) USER MOD Single : A 86 ASN : amide:sc= -0.537! C(o=-0.54!,f=-10!) USER MOD Single : A 88 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.14) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 110:sc= 0.0538 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0412 (180deg=-0.386) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -2.587 8.957 2.518 1.00 0.00 N ATOM 67 CA ALA A 7 -3.914 9.543 2.629 1.00 0.00 C ATOM 68 C ALA A 7 -3.980 10.541 3.780 1.00 0.00 C ATOM 69 O ALA A 7 -3.380 10.329 4.831 1.00 0.00 O ATOM 70 CB ALA A 7 -4.966 8.457 2.806 1.00 0.00 C ATOM 0 HA ALA A 7 -4.121 10.081 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.952 8.915 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.947 7.788 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.754 7.889 3.712 1.00 0.00 H new ATOM 76 N PRO A 8 -4.713 11.631 3.570 1.00 0.00 N ATOM 77 CA PRO A 8 -4.814 12.688 4.567 1.00 0.00 C ATOM 78 C PRO A 8 -5.695 12.262 5.736 1.00 0.00 C ATOM 79 O PRO A 8 -6.574 11.409 5.588 1.00 0.00 O ATOM 80 CB PRO A 8 -5.409 13.871 3.797 1.00 0.00 C ATOM 81 CG PRO A 8 -6.192 13.241 2.696 1.00 0.00 C ATOM 82 CD PRO A 8 -5.415 12.014 2.305 1.00 0.00 C ATOM 0 HA PRO A 8 -3.853 12.937 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.045 14.482 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.628 14.524 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.197 12.980 3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.302 13.922 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.071 11.218 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.709 12.224 1.501 1.00 0.00 H new ATOM 90 N PHE A 9 -5.456 12.856 6.902 1.00 0.00 N ATOM 91 CA PHE A 9 -6.286 12.606 8.071 1.00 0.00 C ATOM 92 C PHE A 9 -6.232 13.780 9.042 1.00 0.00 C ATOM 93 O PHE A 9 -5.260 14.531 9.071 1.00 0.00 O ATOM 94 CB PHE A 9 -5.845 11.320 8.774 1.00 0.00 C ATOM 95 CG PHE A 9 -4.443 11.371 9.310 1.00 0.00 C ATOM 96 CD1 PHE A 9 -3.366 11.023 8.510 1.00 0.00 C ATOM 97 CD2 PHE A 9 -4.199 11.770 10.616 1.00 0.00 C ATOM 98 CE1 PHE A 9 -2.077 11.068 9.002 1.00 0.00 C ATOM 99 CE2 PHE A 9 -2.909 11.817 11.110 1.00 0.00 C ATOM 100 CZ PHE A 9 -1.848 11.466 10.304 1.00 0.00 C ATOM 0 H PHE A 9 -4.693 13.514 7.060 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.316 12.489 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.531 11.113 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.926 10.488 8.074 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.537 10.713 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.026 12.047 11.253 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.247 10.792 8.368 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.732 12.129 12.129 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.840 11.502 10.690 1.00 0.00 H new ATOM 110 N PHE A 10 -7.286 13.929 9.841 1.00 0.00 N ATOM 111 CA PHE A 10 -7.413 15.072 10.738 1.00 0.00 C ATOM 112 C PHE A 10 -6.591 14.868 12.006 1.00 0.00 C ATOM 113 O PHE A 10 -6.801 13.904 12.740 1.00 0.00 O ATOM 114 CB PHE A 10 -8.881 15.315 11.093 1.00 0.00 C ATOM 115 CG PHE A 10 -9.683 15.920 9.976 1.00 0.00 C ATOM 116 CD1 PHE A 10 -10.309 15.114 9.036 1.00 0.00 C ATOM 117 CD2 PHE A 10 -9.814 17.296 9.863 1.00 0.00 C ATOM 118 CE1 PHE A 10 -11.047 15.670 8.009 1.00 0.00 C ATOM 119 CE2 PHE A 10 -10.552 17.854 8.837 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.170 17.039 7.909 1.00 0.00 C ATOM 0 H PHE A 10 -8.064 13.271 9.885 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.027 15.950 10.219 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.336 14.368 11.383 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.931 15.972 11.961 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.218 14.040 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.333 17.939 10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.528 15.031 7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -10.646 18.927 8.761 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.748 17.473 7.107 1.00 0.00 H new ATOM 130 N GLU A 11 -5.660 15.782 12.254 1.00 0.00 N ATOM 131 CA GLU A 11 -4.989 15.859 13.545 1.00 0.00 C ATOM 132 C GLU A 11 -5.884 16.512 14.592 1.00 0.00 C ATOM 133 O GLU A 11 -5.791 16.212 15.781 1.00 0.00 O ATOM 134 CB GLU A 11 -3.674 16.631 13.421 1.00 0.00 C ATOM 135 CG GLU A 11 -2.854 16.685 14.702 1.00 0.00 C ATOM 136 CD GLU A 11 -1.499 17.289 14.457 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.222 17.647 13.338 1.00 0.00 O ATOM 138 OE2 GLU A 11 -0.782 17.498 15.408 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.353 16.480 11.577 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.771 14.841 13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.071 16.174 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.893 17.650 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.385 17.270 15.452 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.739 15.679 15.105 1.00 0.00 H new ATOM 145 N MET A 12 -6.753 17.414 14.142 1.00 0.00 N ATOM 146 CA MET A 12 -7.709 18.067 15.025 1.00 0.00 C ATOM 147 C MET A 12 -9.029 18.326 14.314 1.00 0.00 C ATOM 148 O MET A 12 -9.099 19.133 13.387 1.00 0.00 O ATOM 149 CB MET A 12 -7.128 19.377 15.554 1.00 0.00 C ATOM 150 CG MET A 12 -8.052 20.141 16.493 1.00 0.00 C ATOM 151 SD MET A 12 -7.321 21.680 17.088 1.00 0.00 S ATOM 152 CE MET A 12 -7.340 22.663 15.592 1.00 0.00 C ATOM 0 H MET A 12 -6.813 17.708 13.167 1.00 0.00 H new ATOM 0 HA MET A 12 -7.904 17.399 15.864 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.196 19.162 16.076 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.879 20.018 14.708 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.986 20.363 15.976 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.301 19.509 17.345 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.001 23.674 15.817 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.676 22.214 14.853 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.354 22.700 15.194 1.00 0.00 H new ATOM 162 N LYS A 13 -10.078 17.637 14.756 1.00 0.00 N ATOM 163 CA LYS A 13 -11.358 17.660 14.059 1.00 0.00 C ATOM 164 C LYS A 13 -12.270 18.751 14.608 1.00 0.00 C ATOM 165 O LYS A 13 -11.985 19.341 15.651 1.00 0.00 O ATOM 166 CB LYS A 13 -12.047 16.298 14.161 1.00 0.00 C ATOM 167 CG LYS A 13 -11.327 15.173 13.430 1.00 0.00 C ATOM 168 CD LYS A 13 -12.097 13.864 13.532 1.00 0.00 C ATOM 169 CE LYS A 13 -11.386 12.743 12.788 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.124 11.455 12.887 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.065 17.056 15.594 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.160 17.881 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.141 16.030 15.213 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.058 16.385 13.763 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.199 15.441 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.329 15.044 13.850 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.214 13.590 14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.099 13.996 13.123 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.274 13.017 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.382 12.618 13.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.607 10.718 12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.209 11.179 13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.073 11.566 12.477 1.00 0.00 H new ATOM 184 N LEU A 14 -13.361 19.014 13.900 1.00 0.00 N ATOM 185 CA LEU A 14 -14.357 19.974 14.361 1.00 0.00 C ATOM 186 C LEU A 14 -15.296 19.349 15.381 1.00 0.00 C ATOM 187 O LEU A 14 -15.266 18.141 15.609 1.00 0.00 O ATOM 188 CB LEU A 14 -15.153 20.525 13.171 1.00 0.00 C ATOM 189 CG LEU A 14 -14.331 21.312 12.143 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.212 21.719 10.970 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.721 22.536 12.810 1.00 0.00 C ATOM 0 H LEU A 14 -13.579 18.577 13.005 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.832 20.796 14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.639 19.692 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.944 21.171 13.552 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.527 20.683 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.619 22.277 10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.620 20.827 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.029 22.345 11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.137 23.095 12.079 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.516 23.171 13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.073 22.220 13.627 1.00 0.00 H new ATOM 203 N LYS A 15 -16.131 20.180 15.996 1.00 0.00 N ATOM 204 CA LYS A 15 -17.141 19.700 16.932 1.00 0.00 C ATOM 205 C LYS A 15 -18.488 20.366 16.684 1.00 0.00 C ATOM 206 O LYS A 15 -18.620 21.200 15.787 1.00 0.00 O ATOM 207 CB LYS A 15 -16.694 19.942 18.374 1.00 0.00 C ATOM 208 CG LYS A 15 -16.512 21.410 18.737 1.00 0.00 C ATOM 209 CD LYS A 15 -16.013 21.569 20.166 1.00 0.00 C ATOM 210 CE LYS A 15 -15.890 23.036 20.550 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.417 23.206 21.951 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.128 21.191 15.863 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.257 18.628 16.772 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.429 19.502 19.048 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.753 19.419 18.543 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.804 21.872 18.049 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.460 21.936 18.620 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.698 21.068 20.850 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.044 21.081 20.271 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.197 23.532 19.870 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.857 23.524 20.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.347 24.220 22.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.091 22.755 22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.482 22.762 22.058 1.00 0.00 H new ATOM 225 N HIS A 16 -19.484 19.992 17.482 1.00 0.00 N ATOM 226 CA HIS A 16 -20.796 20.622 17.410 1.00 0.00 C ATOM 227 C HIS A 16 -20.758 22.039 17.968 1.00 0.00 C ATOM 228 O HIS A 16 -20.657 22.238 19.180 1.00 0.00 O ATOM 229 CB HIS A 16 -21.837 19.790 18.165 1.00 0.00 C ATOM 230 CG HIS A 16 -23.235 20.310 18.032 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.310 19.729 18.672 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.734 21.357 17.333 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.410 20.397 18.371 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.088 21.388 17.561 1.00 0.00 N ATOM 0 H HIS A 16 -19.407 19.257 18.185 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.080 20.674 16.359 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.804 18.764 17.799 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.569 19.760 19.221 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.263 18.912 19.282 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.172 22.040 16.713 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.404 20.170 18.727 1.00 0.00 H new ATOM 242 N TYR A 17 -20.838 23.022 17.078 1.00 0.00 N ATOM 243 CA TYR A 17 -20.746 24.424 17.473 1.00 0.00 C ATOM 244 C TYR A 17 -22.127 25.038 17.656 1.00 0.00 C ATOM 245 O TYR A 17 -23.067 24.697 16.939 1.00 0.00 O ATOM 246 CB TYR A 17 -19.951 25.221 16.435 1.00 0.00 C ATOM 247 CG TYR A 17 -18.524 24.750 16.262 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.573 24.989 17.242 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.133 24.070 15.117 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.268 24.561 17.088 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.831 23.637 14.954 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.901 23.886 15.943 1.00 0.00 C ATOM 253 OH TYR A 17 -14.603 23.458 15.785 1.00 0.00 O ATOM 0 H TYR A 17 -20.966 22.874 16.077 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.225 24.467 18.430 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.463 25.159 15.474 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.944 26.272 16.726 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.856 25.518 18.140 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.858 23.876 14.341 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.539 24.754 17.861 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.543 23.107 14.058 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.544 22.504 16.003 1.00 0.00 H new ATOM 263 N LYS A 18 -22.243 25.943 18.620 1.00 0.00 N ATOM 264 CA LYS A 18 -23.492 26.655 18.855 1.00 0.00 C ATOM 265 C LYS A 18 -23.248 28.148 19.036 1.00 0.00 C ATOM 266 O LYS A 18 -22.288 28.559 19.682 1.00 0.00 O ATOM 267 CB LYS A 18 -24.211 26.085 20.079 1.00 0.00 C ATOM 268 CG LYS A 18 -24.723 24.663 19.904 1.00 0.00 C ATOM 269 CD LYS A 18 -25.514 24.205 21.119 1.00 0.00 C ATOM 270 CE LYS A 18 -25.999 22.771 20.957 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.787 22.314 22.135 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.486 26.201 19.252 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.125 26.518 17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.530 26.110 20.929 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.052 26.733 20.325 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.353 24.608 19.016 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.882 23.989 19.740 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.892 24.282 22.010 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.368 24.865 21.269 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.612 22.694 20.059 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.142 22.112 20.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.099 21.333 21.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.195 22.362 22.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.619 22.927 22.255 1.00 0.00 H new ATOM 285 N ILE A 19 -24.131 28.959 18.458 1.00 0.00 N ATOM 286 CA ILE A 19 -24.011 30.410 18.547 1.00 0.00 C ATOM 287 C ILE A 19 -25.377 31.077 18.527 1.00 0.00 C ATOM 288 O ILE A 19 -26.324 30.562 17.928 1.00 0.00 O ATOM 289 CB ILE A 19 -23.157 30.980 17.399 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.765 32.431 17.693 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.909 30.885 16.080 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.804 32.581 18.850 1.00 0.00 C ATOM 0 H ILE A 19 -24.937 28.635 17.923 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.518 30.625 19.495 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.245 30.388 17.318 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.314 32.864 16.800 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.667 33.005 17.905 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.292 31.292 15.279 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.139 29.841 15.866 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.836 31.454 16.148 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.573 33.636 18.997 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.259 32.179 19.755 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.885 32.036 18.633 1.00 0.00 H new ATOM 304 N PHE A 20 -25.481 32.226 19.186 1.00 0.00 N ATOM 305 CA PHE A 20 -26.679 33.051 19.109 1.00 0.00 C ATOM 306 C PHE A 20 -26.756 33.796 17.786 1.00 0.00 C ATOM 307 O PHE A 20 -25.734 34.211 17.236 1.00 0.00 O ATOM 308 CB PHE A 20 -26.718 34.043 20.274 1.00 0.00 C ATOM 309 CG PHE A 20 -27.003 33.406 21.604 1.00 0.00 C ATOM 310 CD1 PHE A 20 -27.404 32.080 21.683 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.873 34.131 22.778 1.00 0.00 C ATOM 312 CE1 PHE A 20 -27.667 31.494 22.906 1.00 0.00 C ATOM 313 CE2 PHE A 20 -27.133 33.547 24.003 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.531 32.227 24.066 1.00 0.00 C ATOM 0 H PHE A 20 -24.746 32.608 19.782 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.543 32.389 19.174 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.762 34.563 20.328 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.479 34.796 20.072 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -27.512 31.500 20.779 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -26.565 35.165 22.735 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -27.979 30.461 22.954 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -27.025 34.123 24.910 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.736 31.769 25.022 1.00 0.00 H new ATOM 324 N GLU A 21 -27.970 33.964 17.276 1.00 0.00 N ATOM 325 CA GLU A 21 -28.178 34.605 15.980 1.00 0.00 C ATOM 326 C GLU A 21 -27.526 35.982 15.938 1.00 0.00 C ATOM 327 O GLU A 21 -27.786 36.830 16.792 1.00 0.00 O ATOM 328 CB GLU A 21 -29.672 34.721 15.672 1.00 0.00 C ATOM 329 CG GLU A 21 -29.989 35.316 14.307 1.00 0.00 C ATOM 330 CD GLU A 21 -31.469 35.490 14.117 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.205 35.196 15.028 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.860 36.022 13.104 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.828 33.665 17.740 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.709 33.981 15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.122 33.730 15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.142 35.335 16.440 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.491 36.280 14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.594 34.668 13.525 1.00 0.00 H new ATOM 339 N GLY A 22 -26.678 36.200 14.939 1.00 0.00 N ATOM 340 CA GLY A 22 -26.129 37.523 14.674 1.00 0.00 C ATOM 341 C GLY A 22 -24.707 37.646 15.211 1.00 0.00 C ATOM 342 O GLY A 22 -23.981 38.577 14.859 1.00 0.00 O ATOM 0 H GLY A 22 -26.356 35.475 14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.133 37.713 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.762 38.282 15.135 1.00 0.00 H new ATOM 346 N MET A 23 -24.316 36.704 16.059 1.00 0.00 N ATOM 347 CA MET A 23 -23.004 36.739 16.694 1.00 0.00 C ATOM 348 C MET A 23 -21.948 36.089 15.815 1.00 0.00 C ATOM 349 O MET A 23 -22.257 35.240 14.979 1.00 0.00 O ATOM 350 CB MET A 23 -23.058 36.046 18.055 1.00 0.00 C ATOM 351 CG MET A 23 -23.822 36.815 19.124 1.00 0.00 C ATOM 352 SD MET A 23 -23.701 36.047 20.752 1.00 0.00 S ATOM 353 CE MET A 23 -21.986 36.369 21.152 1.00 0.00 C ATOM 0 H MET A 23 -24.890 35.904 16.324 1.00 0.00 H new ATOM 0 HA MET A 23 -22.727 37.783 16.836 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.518 35.066 17.932 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.039 35.878 18.404 1.00 0.00 H new ATOM 0 HG2 MET A 23 -23.438 37.834 19.178 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.871 36.884 18.836 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.838 36.269 22.227 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.350 35.654 20.630 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.724 37.381 20.842 1.00 0.00 H new ATOM 363 N PRO A 24 -20.696 36.490 16.010 1.00 0.00 N ATOM 364 CA PRO A 24 -19.587 35.937 15.241 1.00 0.00 C ATOM 365 C PRO A 24 -19.234 34.532 15.717 1.00 0.00 C ATOM 366 O PRO A 24 -19.490 34.174 16.864 1.00 0.00 O ATOM 367 CB PRO A 24 -18.440 36.928 15.469 1.00 0.00 C ATOM 368 CG PRO A 24 -18.709 37.499 16.821 1.00 0.00 C ATOM 369 CD PRO A 24 -20.209 37.578 16.930 1.00 0.00 C ATOM 0 HA PRO A 24 -19.822 35.825 14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.471 36.430 15.433 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.428 37.705 14.704 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.291 36.867 17.605 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.255 38.484 16.929 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.544 37.415 17.954 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.581 38.556 16.624 1.00 0.00 H new ATOM 377 N VAL A 25 -18.640 33.743 14.826 1.00 0.00 N ATOM 378 CA VAL A 25 -18.214 32.392 15.164 1.00 0.00 C ATOM 379 C VAL A 25 -16.795 32.125 14.677 1.00 0.00 C ATOM 380 O VAL A 25 -16.491 32.298 13.497 1.00 0.00 O ATOM 381 CB VAL A 25 -19.161 31.334 14.565 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.695 29.933 14.934 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.587 31.563 15.043 1.00 0.00 C ATOM 0 H VAL A 25 -18.443 34.018 13.864 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.242 32.316 16.251 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.142 31.430 13.479 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.375 29.198 14.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.690 29.770 14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.686 29.827 16.019 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.242 30.807 14.610 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.622 31.494 16.130 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.921 32.553 14.732 1.00 0.00 H new ATOM 393 N THR A 26 -15.932 31.701 15.593 1.00 0.00 N ATOM 394 CA THR A 26 -14.537 31.427 15.262 1.00 0.00 C ATOM 395 C THR A 26 -14.149 30.003 15.651 1.00 0.00 C ATOM 396 O THR A 26 -14.276 29.611 16.810 1.00 0.00 O ATOM 397 CB THR A 26 -13.584 32.417 15.958 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.921 33.757 15.576 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.142 32.130 15.570 1.00 0.00 C ATOM 0 H THR A 26 -16.173 31.539 16.571 1.00 0.00 H new ATOM 0 HA THR A 26 -14.441 31.546 14.183 1.00 0.00 H new ATOM 0 HB THR A 26 -13.689 32.303 17.037 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.954 33.820 14.599 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.483 32.839 16.071 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.879 31.116 15.870 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.029 32.230 14.490 1.00 0.00 H new ATOM 407 N PHE A 27 -13.678 29.238 14.674 1.00 0.00 N ATOM 408 CA PHE A 27 -13.114 27.919 14.938 1.00 0.00 C ATOM 409 C PHE A 27 -12.133 27.512 13.847 1.00 0.00 C ATOM 410 O PHE A 27 -12.059 28.148 12.797 1.00 0.00 O ATOM 411 CB PHE A 27 -14.227 26.877 15.062 1.00 0.00 C ATOM 412 CG PHE A 27 -15.103 26.778 13.846 1.00 0.00 C ATOM 413 CD1 PHE A 27 -14.742 25.969 12.778 1.00 0.00 C ATOM 414 CD2 PHE A 27 -16.287 27.493 13.766 1.00 0.00 C ATOM 415 CE1 PHE A 27 -15.546 25.877 11.658 1.00 0.00 C ATOM 416 CE2 PHE A 27 -17.094 27.403 12.648 1.00 0.00 C ATOM 417 CZ PHE A 27 -16.723 26.594 11.593 1.00 0.00 C ATOM 0 H PHE A 27 -13.675 29.508 13.690 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.571 27.970 15.882 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -13.779 25.902 15.256 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.846 27.121 15.925 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -13.822 25.405 12.823 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.583 28.129 14.588 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -15.253 25.244 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -18.015 27.965 12.600 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.353 26.522 10.718 1.00 0.00 H new ATOM 427 N THR A 28 -11.380 26.448 14.104 1.00 0.00 N ATOM 428 CA THR A 28 -10.305 26.036 13.208 1.00 0.00 C ATOM 429 C THR A 28 -10.122 24.524 13.227 1.00 0.00 C ATOM 430 O THR A 28 -10.504 23.854 14.188 1.00 0.00 O ATOM 431 CB THR A 28 -8.972 26.709 13.581 1.00 0.00 C ATOM 432 OG1 THR A 28 -7.982 26.395 12.591 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.492 26.227 14.942 1.00 0.00 C ATOM 0 H THR A 28 -11.494 25.855 14.926 1.00 0.00 H new ATOM 0 HA THR A 28 -10.593 26.351 12.205 1.00 0.00 H new ATOM 0 HB THR A 28 -9.126 27.787 13.623 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.666 27.222 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.548 26.714 15.188 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.236 26.474 15.699 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.347 25.147 14.915 1.00 0.00 H new ATOM 441 N CYS A 29 -9.529 23.990 12.162 1.00 0.00 N ATOM 442 CA CYS A 29 -9.316 22.553 12.045 1.00 0.00 C ATOM 443 C CYS A 29 -7.948 22.246 11.451 1.00 0.00 C ATOM 444 O CYS A 29 -7.466 22.967 10.573 1.00 0.00 O ATOM 445 CB CYS A 29 -10.427 22.122 11.088 1.00 0.00 C ATOM 446 SG CYS A 29 -10.719 20.337 11.033 1.00 0.00 S ATOM 0 H CYS A 29 -9.188 24.532 11.368 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.342 22.038 13.005 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.352 22.620 11.378 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.179 22.468 10.084 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.048 19.758 11.984 1.00 0.00 H new ATOM 452 N ARG A 30 -7.325 21.175 11.927 1.00 0.00 N ATOM 453 CA ARG A 30 -5.968 20.836 11.525 1.00 0.00 C ATOM 454 C ARG A 30 -5.913 19.460 10.869 1.00 0.00 C ATOM 455 O ARG A 30 -6.435 18.482 11.410 1.00 0.00 O ATOM 456 CB ARG A 30 -4.985 20.942 12.682 1.00 0.00 C ATOM 457 CG ARG A 30 -3.532 20.686 12.312 1.00 0.00 C ATOM 458 CD ARG A 30 -2.581 20.808 13.447 1.00 0.00 C ATOM 459 NE ARG A 30 -1.218 20.407 13.137 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.296 21.208 12.570 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.593 22.439 12.215 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.912 20.716 12.358 1.00 0.00 N ATOM 0 H ARG A 30 -7.741 20.525 12.594 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.661 21.571 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.064 21.938 13.117 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.278 20.232 13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.448 19.685 11.889 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.239 21.388 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.573 21.843 13.788 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.945 20.202 14.276 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.941 19.452 13.365 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.534 22.801 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.118 23.032 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.124 19.754 12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.632 21.298 11.930 1.00 0.00 H new ATOM 476 N VAL A 31 -5.287 19.392 9.701 1.00 0.00 N ATOM 477 CA VAL A 31 -5.161 18.135 8.970 1.00 0.00 C ATOM 478 C VAL A 31 -3.698 17.748 8.781 1.00 0.00 C ATOM 479 O VAL A 31 -2.907 18.525 8.248 1.00 0.00 O ATOM 480 CB VAL A 31 -5.843 18.212 7.591 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.685 16.897 6.844 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.316 18.564 7.744 1.00 0.00 C ATOM 0 H VAL A 31 -4.858 20.193 9.238 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.659 17.374 9.570 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.359 18.998 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.173 16.970 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.625 16.684 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.143 16.094 7.421 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.782 18.614 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.812 17.800 8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.410 19.530 8.240 1.00 0.00 H new ATOM 492 N ALA A 32 -3.352 16.546 9.222 1.00 0.00 N ATOM 493 CA ALA A 32 -1.988 16.044 9.079 1.00 0.00 C ATOM 494 C ALA A 32 -1.836 15.209 7.816 1.00 0.00 C ATOM 495 O ALA A 32 -1.582 14.006 7.881 1.00 0.00 O ATOM 496 CB ALA A 32 -1.591 15.234 10.305 1.00 0.00 C ATOM 0 H ALA A 32 -3.994 15.900 9.681 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.321 16.902 8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.572 14.866 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.646 15.865 11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.270 14.389 10.419 1.00 0.00 H new ATOM 502 N GLY A 33 -1.995 15.853 6.665 1.00 0.00 N ATOM 503 CA GLY A 33 -1.951 15.156 5.382 1.00 0.00 C ATOM 504 C GLY A 33 -0.563 15.236 4.761 1.00 0.00 C ATOM 505 O GLY A 33 0.308 15.955 5.249 1.00 0.00 O ATOM 0 H GLY A 33 -2.156 16.858 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.230 14.112 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.682 15.593 4.702 1.00 0.00 H new ATOM 509 N ASN A 34 -0.360 14.487 3.675 1.00 0.00 N ATOM 510 CA ASN A 34 0.935 14.445 3.002 1.00 0.00 C ATOM 511 C ASN A 34 0.794 13.919 1.593 1.00 0.00 C ATOM 512 O ASN A 34 0.607 12.718 1.374 1.00 0.00 O ATOM 513 CB ASN A 34 1.918 13.562 3.823 1.00 0.00 C ATOM 514 CG ASN A 34 3.392 13.591 3.405 1.00 0.00 C ATOM 515 OD1 ASN A 34 3.743 13.904 2.277 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.302 13.249 4.277 1.00 0.00 N ATOM 0 H ASN A 34 -1.077 13.903 3.245 1.00 0.00 H new ATOM 0 HA ASN A 34 1.333 15.458 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.856 13.867 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.571 12.530 3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.287 13.246 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.028 12.985 5.223 1.00 0.00 H new ATOM 523 N PRO A 35 0.910 14.817 0.620 1.00 0.00 N ATOM 524 CA PRO A 35 1.324 16.188 0.892 1.00 0.00 C ATOM 525 C PRO A 35 0.198 16.982 1.544 1.00 0.00 C ATOM 526 O PRO A 35 -0.948 16.537 1.585 1.00 0.00 O ATOM 527 CB PRO A 35 1.701 16.745 -0.485 1.00 0.00 C ATOM 528 CG PRO A 35 1.866 15.536 -1.342 1.00 0.00 C ATOM 529 CD PRO A 35 0.885 14.529 -0.803 1.00 0.00 C ATOM 0 HA PRO A 35 2.155 16.248 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.924 17.404 -0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.621 17.328 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.660 15.764 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.886 15.156 -1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.110 14.660 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.191 13.505 -1.018 1.00 0.00 H new ATOM 537 N LYS A 36 0.536 18.164 2.056 1.00 0.00 N ATOM 538 CA LYS A 36 -0.454 19.035 2.678 1.00 0.00 C ATOM 539 C LYS A 36 -1.639 19.272 1.751 1.00 0.00 C ATOM 540 O LYS A 36 -1.504 19.885 0.694 1.00 0.00 O ATOM 541 CB LYS A 36 0.180 20.370 3.073 1.00 0.00 C ATOM 542 CG LYS A 36 1.351 20.248 4.038 1.00 0.00 C ATOM 543 CD LYS A 36 0.888 19.806 5.418 1.00 0.00 C ATOM 544 CE LYS A 36 2.068 19.456 6.314 1.00 0.00 C ATOM 545 NZ LYS A 36 1.655 19.268 7.730 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.485 18.538 2.052 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.819 18.537 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.520 20.878 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.584 21.002 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.073 19.531 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.863 21.207 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.302 20.601 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.232 18.941 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.542 18.544 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.815 20.248 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.447 18.869 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.384 20.186 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.844 18.618 7.772 1.00 0.00 H new ATOM 559 N PRO A 37 -2.805 18.781 2.161 1.00 0.00 N ATOM 560 CA PRO A 37 -4.009 18.890 1.342 1.00 0.00 C ATOM 561 C PRO A 37 -4.406 20.347 1.138 1.00 0.00 C ATOM 562 O PRO A 37 -4.035 21.217 1.923 1.00 0.00 O ATOM 563 CB PRO A 37 -5.068 18.108 2.125 1.00 0.00 C ATOM 564 CG PRO A 37 -4.282 17.196 3.004 1.00 0.00 C ATOM 565 CD PRO A 37 -3.042 17.967 3.372 1.00 0.00 C ATOM 0 HA PRO A 37 -3.872 18.492 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.702 18.774 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.723 17.549 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.851 16.919 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.030 16.271 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.196 18.587 4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.202 17.307 3.589 1.00 0.00 H new ATOM 573 N LYS A 38 -5.166 20.604 0.075 1.00 0.00 N ATOM 574 CA LYS A 38 -5.715 21.933 -0.165 1.00 0.00 C ATOM 575 C LYS A 38 -7.068 22.105 0.515 1.00 0.00 C ATOM 576 O LYS A 38 -8.102 22.168 -0.145 1.00 0.00 O ATOM 577 CB LYS A 38 -5.847 22.193 -1.667 1.00 0.00 C ATOM 578 CG LYS A 38 -4.524 22.200 -2.422 1.00 0.00 C ATOM 579 CD LYS A 38 -4.734 22.471 -3.904 1.00 0.00 C ATOM 580 CE LYS A 38 -3.408 22.564 -4.644 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.599 22.803 -6.100 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.414 19.910 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.025 22.660 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.495 21.431 -2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.341 23.153 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.867 22.961 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.024 21.240 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.340 21.676 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.289 23.400 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.811 23.371 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.846 21.642 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.672 22.860 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.146 22.020 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.113 23.696 -6.241 1.00 0.00 H new ATOM 595 N ILE A 39 -7.050 22.173 1.843 1.00 0.00 N ATOM 596 CA ILE A 39 -8.276 22.187 2.627 1.00 0.00 C ATOM 597 C ILE A 39 -9.326 23.092 1.993 1.00 0.00 C ATOM 598 O ILE A 39 -9.091 24.285 1.794 1.00 0.00 O ATOM 599 CB ILE A 39 -8.016 22.648 4.072 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.175 21.610 4.821 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.331 22.895 4.796 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.698 22.075 6.178 1.00 0.00 C ATOM 0 H ILE A 39 -6.196 22.219 2.398 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.650 21.163 2.645 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.459 23.585 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.763 20.701 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.310 21.349 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.129 23.220 5.817 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.894 23.668 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.913 21.974 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.110 21.286 6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.082 22.967 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.558 22.308 6.806 1.00 0.00 H new ATOM 614 N TYR A 40 -10.484 22.520 1.678 1.00 0.00 N ATOM 615 CA TYR A 40 -11.609 23.294 1.171 1.00 0.00 C ATOM 616 C TYR A 40 -12.733 23.371 2.197 1.00 0.00 C ATOM 617 O TYR A 40 -12.904 22.463 3.011 1.00 0.00 O ATOM 618 CB TYR A 40 -12.131 22.690 -0.135 1.00 0.00 C ATOM 619 CG TYR A 40 -11.105 22.653 -1.246 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.692 23.820 -1.870 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.555 21.452 -1.669 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.755 23.794 -2.885 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.617 21.412 -2.683 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.220 22.587 -3.289 1.00 0.00 C ATOM 625 OH TYR A 40 -8.288 22.555 -4.302 1.00 0.00 O ATOM 0 H TYR A 40 -10.667 21.520 1.766 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.255 24.306 0.977 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.479 21.675 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.995 23.265 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.110 24.766 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.865 20.531 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.443 24.713 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.198 20.468 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.012 21.629 -4.463 1.00 0.00 H new ATOM 635 N TRP A 41 -13.497 24.455 2.147 1.00 0.00 N ATOM 636 CA TRP A 41 -14.681 24.594 2.991 1.00 0.00 C ATOM 637 C TRP A 41 -15.941 24.755 2.152 1.00 0.00 C ATOM 638 O TRP A 41 -15.929 25.418 1.114 1.00 0.00 O ATOM 639 CB TRP A 41 -14.525 25.788 3.936 1.00 0.00 C ATOM 640 CG TRP A 41 -13.470 25.590 4.982 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.135 25.830 4.850 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.662 25.112 6.318 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.482 25.531 6.019 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.400 25.089 6.938 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.782 24.702 7.053 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.223 24.672 8.249 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.605 24.286 8.367 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.362 24.272 8.947 1.00 0.00 C ATOM 0 H TRP A 41 -13.320 25.250 1.533 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.779 23.683 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.283 26.675 3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.479 25.980 4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.660 26.202 3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.479 25.622 6.179 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.765 24.709 6.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.246 24.658 8.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.462 23.968 8.942 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.263 23.943 9.971 1.00 0.00 H new ATOM 659 N PHE A 42 -17.028 24.142 2.607 1.00 0.00 N ATOM 660 CA PHE A 42 -18.336 24.351 2.000 1.00 0.00 C ATOM 661 C PHE A 42 -19.455 24.140 3.011 1.00 0.00 C ATOM 662 O PHE A 42 -19.345 23.302 3.908 1.00 0.00 O ATOM 663 CB PHE A 42 -18.527 23.416 0.804 1.00 0.00 C ATOM 664 CG PHE A 42 -18.338 21.963 1.134 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.073 21.396 1.138 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.426 21.160 1.443 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.897 20.060 1.441 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.254 19.823 1.748 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.989 19.273 1.746 1.00 0.00 C ATOM 0 H PHE A 42 -17.028 23.495 3.396 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.380 25.384 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.529 23.560 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.823 23.695 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.214 22.007 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.419 21.584 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.906 19.632 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.110 19.209 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.853 18.228 1.983 1.00 0.00 H new ATOM 679 N LYS A 43 -20.530 24.906 2.864 1.00 0.00 N ATOM 680 CA LYS A 43 -21.625 24.884 3.832 1.00 0.00 C ATOM 681 C LYS A 43 -22.870 24.238 3.238 1.00 0.00 C ATOM 682 O LYS A 43 -23.513 24.803 2.356 1.00 0.00 O ATOM 683 CB LYS A 43 -21.943 26.302 4.310 1.00 0.00 C ATOM 684 CG LYS A 43 -22.907 26.365 5.486 1.00 0.00 C ATOM 685 CD LYS A 43 -24.346 26.507 5.016 1.00 0.00 C ATOM 686 CE LYS A 43 -25.272 26.889 6.162 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.698 26.596 5.851 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.669 25.550 2.085 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.306 24.286 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.013 26.795 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.365 26.867 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.807 25.463 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.647 27.207 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.401 27.264 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.680 25.568 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.979 26.347 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.160 27.951 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.271 26.710 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.036 27.253 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.784 25.619 5.505 1.00 0.00 H new ATOM 701 N ASP A 44 -23.203 23.049 3.727 1.00 0.00 N ATOM 702 CA ASP A 44 -24.328 22.290 3.193 1.00 0.00 C ATOM 703 C ASP A 44 -24.196 22.095 1.688 1.00 0.00 C ATOM 704 O ASP A 44 -25.195 22.025 0.972 1.00 0.00 O ATOM 705 CB ASP A 44 -25.650 22.988 3.520 1.00 0.00 C ATOM 706 CG ASP A 44 -26.048 22.928 4.990 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.435 22.188 5.719 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.851 23.730 5.400 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.710 22.590 4.493 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.321 21.308 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.579 24.033 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.442 22.536 2.923 1.00 0.00 H new ATOM 713 N GLY A 45 -22.960 22.007 1.214 1.00 0.00 N ATOM 714 CA GLY A 45 -22.695 21.763 -0.198 1.00 0.00 C ATOM 715 C GLY A 45 -22.255 23.039 -0.905 1.00 0.00 C ATOM 716 O GLY A 45 -21.652 22.987 -1.978 1.00 0.00 O ATOM 0 H GLY A 45 -22.123 22.101 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.921 21.003 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.592 21.370 -0.676 1.00 0.00 H new ATOM 720 N LYS A 46 -22.558 24.180 -0.298 1.00 0.00 N ATOM 721 CA LYS A 46 -22.256 25.473 -0.902 1.00 0.00 C ATOM 722 C LYS A 46 -20.791 25.844 -0.708 1.00 0.00 C ATOM 723 O LYS A 46 -20.359 26.141 0.405 1.00 0.00 O ATOM 724 CB LYS A 46 -23.157 26.561 -0.315 1.00 0.00 C ATOM 725 CG LYS A 46 -22.968 27.938 -0.939 1.00 0.00 C ATOM 726 CD LYS A 46 -23.910 28.959 -0.320 1.00 0.00 C ATOM 727 CE LYS A 46 -23.728 30.333 -0.949 1.00 0.00 C ATOM 728 NZ LYS A 46 -24.633 31.347 -0.341 1.00 0.00 N1+ ATOM 0 H LYS A 46 -23.013 24.237 0.613 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.447 25.394 -1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.197 26.260 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.970 26.632 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -21.936 28.263 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -23.145 27.880 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -24.941 28.631 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -23.728 29.021 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -22.693 30.653 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -23.921 30.270 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -24.478 32.269 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -25.622 31.056 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -24.432 31.426 0.676 1.00 0.00 H new ATOM 742 N GLN A 47 -20.033 25.825 -1.798 1.00 0.00 N ATOM 743 CA GLN A 47 -18.604 26.118 -1.742 1.00 0.00 C ATOM 744 C GLN A 47 -18.348 27.502 -1.162 1.00 0.00 C ATOM 745 O GLN A 47 -18.950 28.488 -1.593 1.00 0.00 O ATOM 746 CB GLN A 47 -17.982 26.019 -3.137 1.00 0.00 C ATOM 747 CG GLN A 47 -16.476 26.212 -3.161 1.00 0.00 C ATOM 748 CD GLN A 47 -15.887 26.002 -4.544 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.614 25.775 -5.515 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.565 26.074 -4.640 1.00 0.00 N ATOM 0 H GLN A 47 -20.383 25.610 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.140 25.379 -1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.219 25.043 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.443 26.766 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.236 27.218 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.012 25.516 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.003 26.264 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.111 25.939 -5.544 1.00 0.00 H new ATOM 759 N ILE A 48 -17.453 27.574 -0.183 1.00 0.00 N ATOM 760 CA ILE A 48 -17.124 28.835 0.468 1.00 0.00 C ATOM 761 C ILE A 48 -15.837 29.423 -0.090 1.00 0.00 C ATOM 762 O ILE A 48 -14.795 28.768 -0.089 1.00 0.00 O ATOM 763 CB ILE A 48 -16.981 28.665 1.991 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.299 28.182 2.601 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.541 29.971 2.634 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.184 27.754 4.046 1.00 0.00 C ATOM 0 H ILE A 48 -16.941 26.769 0.178 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.949 29.517 0.265 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.216 27.913 2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.037 28.981 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.675 27.345 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.445 29.832 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.579 30.274 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.283 30.744 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.159 27.425 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.471 26.933 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.839 28.595 4.648 1.00 0.00 H new ATOM 778 N SER A 49 -15.909 30.662 -0.558 1.00 0.00 N ATOM 779 CA SER A 49 -14.724 31.387 -1.005 1.00 0.00 C ATOM 780 C SER A 49 -14.080 32.152 0.145 1.00 0.00 C ATOM 781 O SER A 49 -14.765 32.824 0.916 1.00 0.00 O ATOM 782 CB SER A 49 -15.083 32.336 -2.132 1.00 0.00 C ATOM 783 OG SER A 49 -14.000 33.138 -2.513 1.00 0.00 O ATOM 0 H SER A 49 -16.779 31.189 -0.639 1.00 0.00 H new ATOM 0 HA SER A 49 -14.001 30.658 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.428 31.762 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.912 32.972 -1.820 1.00 0.00 H new ATOM 0 HG SER A 49 -14.274 33.733 -3.242 1.00 0.00 H new ATOM 789 N PRO A 50 -12.759 32.045 0.253 1.00 0.00 N ATOM 790 CA PRO A 50 -12.017 32.754 1.286 1.00 0.00 C ATOM 791 C PRO A 50 -12.317 34.247 1.254 1.00 0.00 C ATOM 792 O PRO A 50 -12.357 34.860 0.187 1.00 0.00 O ATOM 793 CB PRO A 50 -10.550 32.453 0.964 1.00 0.00 C ATOM 794 CG PRO A 50 -10.588 31.154 0.236 1.00 0.00 C ATOM 795 CD PRO A 50 -11.853 31.190 -0.579 1.00 0.00 C ATOM 0 HA PRO A 50 -12.286 32.436 2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.109 33.239 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.951 32.382 1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.712 31.036 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.592 30.314 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.686 31.620 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.265 30.192 -0.731 1.00 0.00 H new ATOM 803 N LYS A 51 -12.522 34.833 2.430 1.00 0.00 N ATOM 804 CA LYS A 51 -12.798 36.259 2.537 1.00 0.00 C ATOM 805 C LYS A 51 -14.050 36.639 1.758 1.00 0.00 C ATOM 806 O LYS A 51 -14.004 37.485 0.864 1.00 0.00 O ATOM 807 CB LYS A 51 -11.602 37.074 2.044 1.00 0.00 C ATOM 808 CG LYS A 51 -10.319 36.853 2.835 1.00 0.00 C ATOM 809 CD LYS A 51 -9.188 37.723 2.309 1.00 0.00 C ATOM 810 CE LYS A 51 -7.913 37.522 3.116 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.779 38.316 2.570 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.502 34.340 3.323 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.971 36.487 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.417 36.828 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.859 38.133 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.495 37.078 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.030 35.804 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.000 37.484 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.484 38.771 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.091 37.808 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.648 36.465 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.930 38.151 3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.592 38.025 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.021 39.327 2.591 1.00 0.00 H new ATOM 825 N SER A 52 -15.169 36.011 2.105 1.00 0.00 N ATOM 826 CA SER A 52 -16.442 36.306 1.459 1.00 0.00 C ATOM 827 C SER A 52 -17.239 37.332 2.256 1.00 0.00 C ATOM 828 O SER A 52 -16.683 38.060 3.079 1.00 0.00 O ATOM 829 CB SER A 52 -17.245 35.032 1.285 1.00 0.00 C ATOM 830 OG SER A 52 -18.370 35.226 0.472 1.00 0.00 O ATOM 0 H SER A 52 -15.220 35.295 2.830 1.00 0.00 H new ATOM 0 HA SER A 52 -16.235 36.732 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.611 34.261 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.563 34.668 2.262 1.00 0.00 H new ATOM 0 HG SER A 52 -18.859 34.381 0.383 1.00 0.00 H new ATOM 836 N ASP A 53 -18.541 37.389 2.003 1.00 0.00 N ATOM 837 CA ASP A 53 -19.410 38.355 2.664 1.00 0.00 C ATOM 838 C ASP A 53 -19.285 38.261 4.181 1.00 0.00 C ATOM 839 O ASP A 53 -19.178 39.272 4.867 1.00 0.00 O ATOM 840 CB ASP A 53 -20.865 38.142 2.241 1.00 0.00 C ATOM 841 CG ASP A 53 -21.175 38.570 0.814 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.355 39.231 0.222 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.150 38.105 0.273 1.00 0.00 O1- ATOM 0 H ASP A 53 -19.019 36.776 1.343 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.095 39.353 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.112 37.086 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.513 38.694 2.922 1.00 0.00 H new ATOM 848 N HIS A 54 -19.304 37.034 4.695 1.00 0.00 N ATOM 849 CA HIS A 54 -19.172 36.802 6.127 1.00 0.00 C ATOM 850 C HIS A 54 -18.245 35.632 6.413 1.00 0.00 C ATOM 851 O HIS A 54 -17.932 35.341 7.570 1.00 0.00 O ATOM 852 CB HIS A 54 -20.542 36.550 6.765 1.00 0.00 C ATOM 853 CG HIS A 54 -21.478 37.714 6.659 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.349 38.844 7.440 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.556 37.923 5.867 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.309 39.699 7.130 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.054 39.164 6.180 1.00 0.00 N ATOM 0 H HIS A 54 -19.410 36.185 4.139 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.738 37.700 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.000 35.682 6.290 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.403 36.301 7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.950 37.242 5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.458 40.670 7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.868 39.602 5.748 1.00 0.00 H new ATOM 865 N TYR A 55 -17.804 34.959 5.355 1.00 0.00 N ATOM 866 CA TYR A 55 -17.055 33.714 5.497 1.00 0.00 C ATOM 867 C TYR A 55 -15.580 33.925 5.188 1.00 0.00 C ATOM 868 O TYR A 55 -15.160 33.894 4.031 1.00 0.00 O ATOM 869 CB TYR A 55 -17.632 32.633 4.578 1.00 0.00 C ATOM 870 CG TYR A 55 -19.045 32.224 4.926 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.576 32.496 6.179 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.845 31.570 4.001 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.868 32.124 6.501 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.136 31.194 4.313 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.645 31.473 5.564 1.00 0.00 C ATOM 876 OH TYR A 55 -22.932 31.101 5.881 1.00 0.00 O ATOM 0 H TYR A 55 -17.952 35.254 4.390 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.146 33.385 6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.612 32.995 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.989 31.754 4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.971 33.006 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.451 31.351 3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.267 32.342 7.481 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.745 30.684 3.581 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.445 31.892 6.147 1.00 0.00 H new ATOM 886 N THR A 56 -14.787 34.141 6.235 1.00 0.00 N ATOM 887 CA THR A 56 -13.354 34.363 6.079 1.00 0.00 C ATOM 888 C THR A 56 -12.572 33.079 6.315 1.00 0.00 C ATOM 889 O THR A 56 -12.623 32.492 7.397 1.00 0.00 O ATOM 890 CB THR A 56 -12.841 35.448 7.045 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.505 36.688 6.770 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.339 35.635 6.888 1.00 0.00 C ATOM 0 H THR A 56 -15.114 34.167 7.201 1.00 0.00 H new ATOM 0 HA THR A 56 -13.198 34.699 5.054 1.00 0.00 H new ATOM 0 HB THR A 56 -13.052 35.133 8.067 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.179 37.377 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.994 36.405 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.831 34.696 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.115 35.938 5.865 1.00 0.00 H new ATOM 900 N ILE A 57 -11.840 32.641 5.293 1.00 0.00 N ATOM 901 CA ILE A 57 -11.005 31.450 5.402 1.00 0.00 C ATOM 902 C ILE A 57 -9.532 31.814 5.498 1.00 0.00 C ATOM 903 O ILE A 57 -9.010 32.557 4.664 1.00 0.00 O ATOM 904 CB ILE A 57 -11.212 30.504 4.204 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.660 30.012 4.156 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.249 29.328 4.283 1.00 0.00 C ATOM 907 CD1 ILE A 57 -13.000 29.236 2.903 1.00 0.00 C ATOM 0 H ILE A 57 -11.809 33.094 4.380 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.308 30.939 6.316 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.006 31.056 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.849 29.382 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.328 30.870 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.408 28.669 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.223 29.696 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.425 28.775 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.043 28.921 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.845 29.869 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.358 28.358 2.833 1.00 0.00 H new ATOM 919 N GLN A 58 -8.863 31.294 6.520 1.00 0.00 N ATOM 920 CA GLN A 58 -7.424 31.478 6.668 1.00 0.00 C ATOM 921 C GLN A 58 -6.694 30.142 6.670 1.00 0.00 C ATOM 922 O GLN A 58 -6.658 29.444 7.684 1.00 0.00 O ATOM 923 CB GLN A 58 -7.112 32.239 7.961 1.00 0.00 C ATOM 924 CG GLN A 58 -7.619 33.670 7.978 1.00 0.00 C ATOM 925 CD GLN A 58 -7.291 34.385 9.276 1.00 0.00 C ATOM 926 OE1 GLN A 58 -6.581 33.850 10.133 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.811 35.597 9.430 1.00 0.00 N ATOM 0 H GLN A 58 -9.295 30.740 7.260 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.076 32.060 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.550 31.700 8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.033 32.246 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.181 34.218 7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.699 33.672 7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.392 36.000 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.629 36.125 10.283 1.00 0.00 H new ATOM 936 N ARG A 59 -6.112 29.790 5.530 1.00 0.00 N ATOM 937 CA ARG A 59 -5.499 28.481 5.351 1.00 0.00 C ATOM 938 C ARG A 59 -3.986 28.560 5.482 1.00 0.00 C ATOM 939 O ARG A 59 -3.318 29.237 4.696 1.00 0.00 O ATOM 940 CB ARG A 59 -5.910 27.827 4.040 1.00 0.00 C ATOM 941 CG ARG A 59 -5.495 26.372 3.893 1.00 0.00 C ATOM 942 CD ARG A 59 -6.014 25.708 2.670 1.00 0.00 C ATOM 943 NE ARG A 59 -5.424 26.183 1.429 1.00 0.00 N ATOM 944 CZ ARG A 59 -5.994 26.060 0.215 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.147 25.445 0.067 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -5.351 26.552 -0.829 1.00 0.00 N ATOM 0 H ARG A 59 -6.052 30.397 4.712 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.872 27.842 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.994 27.892 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.481 28.397 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.406 26.316 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.839 25.818 4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.840 24.635 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.093 25.853 2.623 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.514 26.642 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.623 25.052 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.565 25.361 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.448 27.010 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.757 26.474 -1.761 1.00 0.00 H new ATOM 960 N ASP A 60 -3.444 27.866 6.476 1.00 0.00 N ATOM 961 CA ASP A 60 -1.999 27.801 6.670 1.00 0.00 C ATOM 962 C ASP A 60 -1.428 26.493 6.130 1.00 0.00 C ATOM 963 O ASP A 60 -1.957 25.417 6.402 1.00 0.00 O ATOM 964 CB ASP A 60 -1.651 27.956 8.151 1.00 0.00 C ATOM 965 CG ASP A 60 -0.158 28.057 8.439 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.616 27.842 7.538 1.00 0.00 O ATOM 967 OD2 ASP A 60 0.191 28.499 9.507 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.984 27.339 7.162 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.550 28.623 6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.144 28.848 8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.058 27.106 8.698 1.00 0.00 H new ATOM 972 N LEU A 61 -0.348 26.596 5.365 1.00 0.00 N ATOM 973 CA LEU A 61 0.266 25.430 4.742 1.00 0.00 C ATOM 974 C LEU A 61 0.828 24.479 5.786 1.00 0.00 C ATOM 975 O LEU A 61 1.120 23.318 5.491 1.00 0.00 O ATOM 976 CB LEU A 61 1.370 25.867 3.770 1.00 0.00 C ATOM 977 CG LEU A 61 0.885 26.635 2.534 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.076 27.114 1.716 1.00 0.00 C ATOM 979 CD2 LEU A 61 -0.017 25.739 1.698 1.00 0.00 C ATOM 0 H LEU A 61 0.122 27.478 5.161 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.507 24.899 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.081 26.492 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.912 24.981 3.438 1.00 0.00 H new ATOM 0 HG LEU A 61 0.315 27.508 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.721 27.658 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.695 27.772 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.666 26.255 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.361 26.286 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.539 24.857 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.877 25.431 2.293 1.00 0.00 H new ATOM 991 N ASP A 62 0.990 24.975 7.009 1.00 0.00 N ATOM 992 CA ASP A 62 1.428 24.144 8.122 1.00 0.00 C ATOM 993 C ASP A 62 0.493 22.959 8.324 1.00 0.00 C ATOM 994 O ASP A 62 0.924 21.877 8.728 1.00 0.00 O ATOM 995 CB ASP A 62 1.515 24.972 9.407 1.00 0.00 C ATOM 996 CG ASP A 62 2.199 24.261 10.567 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.359 23.945 10.443 1.00 0.00 O ATOM 998 OD2 ASP A 62 1.610 24.181 11.619 1.00 0.00 O1- ATOM 0 H ASP A 62 0.824 25.951 7.253 1.00 0.00 H new ATOM 0 HA ASP A 62 2.419 23.759 7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.053 25.896 9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.507 25.254 9.712 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.788 23.169 8.046 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.777 22.099 8.142 1.00 0.00 C ATOM 1005 C GLY A 63 -3.022 22.568 8.882 1.00 0.00 C ATOM 1006 O GLY A 63 -4.044 21.881 8.896 1.00 0.00 O ATOM 0 H GLY A 63 -1.167 24.069 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.050 21.761 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.343 21.244 8.660 1.00 0.00 H new ATOM 1010 N THR A 64 -2.935 23.741 9.499 1.00 0.00 N ATOM 1011 CA THR A 64 -4.065 24.321 10.217 1.00 0.00 C ATOM 1012 C THR A 64 -4.777 25.368 9.373 1.00 0.00 C ATOM 1013 O THR A 64 -4.146 26.258 8.808 1.00 0.00 O ATOM 1014 CB THR A 64 -3.619 24.963 11.545 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.043 23.961 12.393 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.806 25.600 12.252 1.00 0.00 C ATOM 0 H THR A 64 -2.090 24.312 9.516 1.00 0.00 H new ATOM 0 HA THR A 64 -4.754 23.504 10.431 1.00 0.00 H new ATOM 0 HB THR A 64 -2.880 25.734 11.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.758 24.371 13.236 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.474 26.049 13.188 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.239 26.370 11.614 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.557 24.838 12.461 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.099 25.252 9.288 1.00 0.00 N ATOM 1025 CA CYS A 65 -6.906 26.225 8.565 1.00 0.00 C ATOM 1026 C CYS A 65 -8.111 26.665 9.394 1.00 0.00 C ATOM 1027 O CYS A 65 -8.850 25.831 9.920 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.355 25.441 7.333 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.296 26.410 6.129 1.00 0.00 S ATOM 0 H CYS A 65 -6.633 24.493 9.712 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.364 27.140 8.326 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.475 25.028 6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -7.964 24.597 7.657 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.625 25.653 5.125 1.00 0.00 H new ATOM 1035 N SER A 66 -8.298 27.973 9.504 1.00 0.00 N ATOM 1036 CA SER A 66 -9.351 28.525 10.349 1.00 0.00 C ATOM 1037 C SER A 66 -10.506 29.059 9.513 1.00 0.00 C ATOM 1038 O SER A 66 -10.312 29.535 8.395 1.00 0.00 O ATOM 1039 CB SER A 66 -8.789 29.623 11.233 1.00 0.00 C ATOM 1040 OG SER A 66 -7.788 29.147 12.089 1.00 0.00 O ATOM 0 H SER A 66 -7.735 28.672 9.020 1.00 0.00 H new ATOM 0 HA SER A 66 -9.736 27.723 10.978 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.384 30.419 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.594 30.060 11.824 1.00 0.00 H new ATOM 0 HG SER A 66 -7.451 29.884 12.640 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.713 28.980 10.065 1.00 0.00 N ATOM 1047 CA LEU A 67 -12.885 29.579 9.436 1.00 0.00 C ATOM 1048 C LEU A 67 -13.606 30.517 10.394 1.00 0.00 C ATOM 1049 O LEU A 67 -14.043 30.104 11.469 1.00 0.00 O ATOM 1050 CB LEU A 67 -13.840 28.485 8.943 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.164 28.991 8.355 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.898 29.808 7.097 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.069 27.806 8.047 1.00 0.00 C ATOM 0 H LEU A 67 -11.905 28.506 10.948 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.547 30.166 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.328 27.892 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.062 27.817 9.775 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.662 29.634 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.844 30.163 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.267 30.661 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.393 29.185 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.010 28.165 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.579 27.151 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.268 27.252 8.964 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.724 31.782 10.002 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.410 32.775 10.818 1.00 0.00 C ATOM 1067 C HIS A 68 -15.683 33.264 10.139 1.00 0.00 C ATOM 1068 O HIS A 68 -15.647 33.753 9.009 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.486 33.960 11.115 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.157 35.076 11.855 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.549 34.962 13.173 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.507 36.323 11.463 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.111 36.096 13.560 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.098 36.936 12.541 1.00 0.00 N ATOM 0 H HIS A 68 -13.353 32.143 9.123 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.686 32.297 11.758 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.635 33.609 11.699 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.090 34.345 10.175 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.351 36.755 10.486 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.512 36.300 14.542 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.467 37.887 12.553 1.00 0.00 H new ATOM 1082 N THR A 69 -16.806 33.131 10.837 1.00 0.00 N ATOM 1083 CA THR A 69 -18.066 33.715 10.382 1.00 0.00 C ATOM 1084 C THR A 69 -18.344 35.035 11.088 1.00 0.00 C ATOM 1085 O THR A 69 -18.453 35.084 12.315 1.00 0.00 O ATOM 1086 CB THR A 69 -19.251 32.760 10.617 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.038 31.542 9.892 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.551 33.400 10.155 1.00 0.00 C ATOM 0 H THR A 69 -16.871 32.624 11.720 1.00 0.00 H new ATOM 0 HA THR A 69 -17.962 33.891 9.311 1.00 0.00 H new ATOM 0 HB THR A 69 -19.321 32.548 11.684 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.792 30.935 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.378 32.711 10.329 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.722 34.320 10.714 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.486 33.628 9.091 1.00 0.00 H new ATOM 1096 N THR A 70 -18.454 36.103 10.309 1.00 0.00 N ATOM 1097 CA THR A 70 -18.627 37.442 10.863 1.00 0.00 C ATOM 1098 C THR A 70 -19.957 37.567 11.596 1.00 0.00 C ATOM 1099 O THR A 70 -20.017 38.111 12.701 1.00 0.00 O ATOM 1100 CB THR A 70 -18.556 38.521 9.766 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.256 38.506 9.161 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.822 39.899 10.355 1.00 0.00 C ATOM 0 H THR A 70 -18.427 36.069 9.290 1.00 0.00 H new ATOM 0 HA THR A 70 -17.810 37.598 11.568 1.00 0.00 H new ATOM 0 HB THR A 70 -19.316 38.305 9.015 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.213 39.192 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.768 40.649 9.566 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.815 39.917 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.074 40.120 11.117 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.017 37.062 10.980 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.361 37.191 11.536 1.00 0.00 C ATOM 1112 C ALA A 71 -23.197 35.952 11.248 1.00 0.00 C ATOM 1113 O ALA A 71 -23.898 35.884 10.236 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.045 38.433 10.983 1.00 0.00 C ATOM 0 H ALA A 71 -20.974 36.558 10.094 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.270 37.291 12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.046 38.516 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.464 39.317 11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.115 38.357 9.898 1.00 0.00 H new ATOM 1120 N SER A 72 -23.119 34.970 12.140 1.00 0.00 N ATOM 1121 CA SER A 72 -23.826 33.708 11.959 1.00 0.00 C ATOM 1122 C SER A 72 -25.299 33.844 12.325 1.00 0.00 C ATOM 1123 O SER A 72 -25.649 33.938 13.500 1.00 0.00 O ATOM 1124 CB SER A 72 -23.173 32.620 12.788 1.00 0.00 C ATOM 1125 OG SER A 72 -23.835 31.392 12.661 1.00 0.00 O ATOM 0 H SER A 72 -22.571 35.025 12.999 1.00 0.00 H new ATOM 0 HA SER A 72 -23.767 33.434 10.906 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.134 32.505 12.480 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.164 32.920 13.836 1.00 0.00 H new ATOM 0 HG SER A 72 -23.350 30.823 12.027 1.00 0.00 H new ATOM 1131 N THR A 73 -26.157 33.851 11.311 1.00 0.00 N ATOM 1132 CA THR A 73 -27.593 33.976 11.524 1.00 0.00 C ATOM 1133 C THR A 73 -28.310 32.665 11.223 1.00 0.00 C ATOM 1134 O THR A 73 -27.683 31.671 10.869 1.00 0.00 O ATOM 1135 CB THR A 73 -28.198 35.093 10.654 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.090 34.736 9.270 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.472 36.409 10.893 1.00 0.00 C ATOM 0 H THR A 73 -25.882 33.771 10.332 1.00 0.00 H new ATOM 0 HA THR A 73 -27.734 34.231 12.574 1.00 0.00 H new ATOM 0 HB THR A 73 -29.247 35.215 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.156 34.531 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.913 37.187 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.564 36.690 11.942 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.418 36.295 10.639 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.631 32.676 11.370 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.433 31.479 11.148 1.00 0.00 C ATOM 1147 C LEU A 74 -30.290 30.979 9.712 1.00 0.00 C ATOM 1148 O LEU A 74 -30.420 29.785 9.448 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.905 31.761 11.473 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.207 32.029 12.953 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.662 32.444 13.121 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.904 30.781 13.767 1.00 0.00 C ATOM 0 H LEU A 74 -30.168 33.500 11.642 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.068 30.696 11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.231 32.623 10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.502 30.910 11.145 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.577 32.843 13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.867 32.632 14.175 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.850 33.351 12.547 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.312 31.646 12.762 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.119 30.971 14.819 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.524 29.957 13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.852 30.519 13.653 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.019 31.899 8.796 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.781 31.545 7.405 1.00 0.00 C ATOM 1166 C ASP A 75 -28.384 30.962 7.216 1.00 0.00 C ATOM 1167 O ASP A 75 -28.104 30.315 6.207 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.969 32.766 6.502 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.416 33.212 6.338 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.292 32.461 6.698 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.631 34.352 6.005 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.959 32.898 8.993 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.509 30.783 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.390 33.595 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.557 32.542 5.518 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.514 31.196 8.190 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.156 30.669 8.149 1.00 0.00 C ATOM 1178 C ASP A 76 -26.053 29.356 8.912 1.00 0.00 C ATOM 1179 O ASP A 76 -25.076 28.621 8.771 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.166 31.688 8.719 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.103 33.001 7.951 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.886 32.963 6.764 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.426 34.016 8.522 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.725 31.749 9.021 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.904 30.478 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.436 31.899 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.172 31.242 8.734 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.064 29.069 9.725 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.147 27.789 10.422 1.00 0.00 C ATOM 1190 C ASP A 77 -27.064 26.621 9.444 1.00 0.00 C ATOM 1191 O ASP A 77 -27.810 26.563 8.467 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.441 27.703 11.234 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.579 26.436 12.067 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.895 25.483 11.779 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.245 26.480 13.073 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.838 29.705 9.918 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.297 27.725 11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.498 28.567 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.289 27.769 10.552 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.149 25.699 9.713 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.965 24.530 8.858 1.00 0.00 C ATOM 1202 C GLY A 78 -24.618 23.865 9.115 1.00 0.00 C ATOM 1203 O GLY A 78 -23.962 24.140 10.119 1.00 0.00 O ATOM 0 H GLY A 78 -25.522 25.737 10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.767 23.814 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.033 24.827 7.812 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.212 22.992 8.198 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.996 22.209 8.376 1.00 0.00 C ATOM 1209 C ASN A 79 -21.867 22.746 7.506 1.00 0.00 C ATOM 1210 O ASN A 79 -21.888 22.596 6.284 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.232 20.740 8.084 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.266 20.103 8.971 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.117 20.060 10.198 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.273 19.542 8.352 1.00 0.00 N ATOM 0 H ASN A 79 -24.707 22.810 7.325 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.702 22.302 9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.542 20.631 7.045 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.291 20.201 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.983 19.039 8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.348 19.608 7.337 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.880 23.370 8.143 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.721 23.895 7.431 1.00 0.00 C ATOM 1223 C TYR A 80 -18.668 22.815 7.221 1.00 0.00 C ATOM 1224 O TYR A 80 -17.600 22.847 7.831 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.116 25.074 8.193 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.007 26.295 8.245 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.134 26.320 9.052 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.718 27.422 7.483 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.953 27.431 9.102 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.529 28.539 7.524 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.646 28.540 8.336 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.459 29.649 8.382 1.00 0.00 O ATOM 0 H TYR A 80 -20.861 23.524 9.151 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.058 24.238 6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.890 24.758 9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.169 25.347 7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.376 25.455 9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.844 27.424 6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.828 27.433 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.291 29.406 6.925 1.00 0.00 H new ATOM 0 HH TYR A 80 -22.520 30.047 7.489 1.00 0.00 H new ATOM 1242 N THR A 81 -18.977 21.853 6.355 1.00 0.00 N ATOM 1243 CA THR A 81 -18.132 20.680 6.178 1.00 0.00 C ATOM 1244 C THR A 81 -16.773 21.060 5.601 1.00 0.00 C ATOM 1245 O THR A 81 -16.689 21.847 4.654 1.00 0.00 O ATOM 1246 CB THR A 81 -18.796 19.640 5.258 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.054 19.239 5.815 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.902 18.418 5.102 1.00 0.00 C ATOM 0 H THR A 81 -19.809 21.865 5.765 1.00 0.00 H new ATOM 0 HA THR A 81 -17.993 20.242 7.166 1.00 0.00 H new ATOM 0 HB THR A 81 -18.952 20.091 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.476 18.578 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.387 17.693 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.949 18.718 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.729 17.967 6.079 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.713 20.501 6.170 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.367 20.709 5.653 1.00 0.00 C ATOM 1258 C ILE A 82 -13.848 19.458 4.956 1.00 0.00 C ATOM 1259 O ILE A 82 -14.070 18.338 5.419 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.387 21.107 6.771 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.943 20.848 6.334 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.702 20.348 8.051 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.908 21.349 7.315 1.00 0.00 C ATOM 0 H ILE A 82 -15.760 19.899 6.992 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.429 21.524 4.932 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.501 22.173 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.804 19.777 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.775 21.324 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.999 20.642 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.718 20.581 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.615 19.277 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.910 21.129 6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.018 22.426 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.048 20.854 8.276 1.00 0.00 H new ATOM 1275 N MET A 83 -13.155 19.653 3.837 1.00 0.00 N ATOM 1276 CA MET A 83 -12.637 18.540 3.050 1.00 0.00 C ATOM 1277 C MET A 83 -11.182 18.766 2.664 1.00 0.00 C ATOM 1278 O MET A 83 -10.864 19.683 1.909 1.00 0.00 O ATOM 1279 CB MET A 83 -13.488 18.338 1.798 1.00 0.00 C ATOM 1280 CG MET A 83 -13.072 17.152 0.939 1.00 0.00 C ATOM 1281 SD MET A 83 -14.121 16.944 -0.513 1.00 0.00 S ATOM 1282 CE MET A 83 -15.633 16.351 0.241 1.00 0.00 C ATOM 0 H MET A 83 -12.939 20.574 3.455 1.00 0.00 H new ATOM 0 HA MET A 83 -12.687 17.642 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.528 18.207 2.098 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.442 19.243 1.193 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.038 17.285 0.620 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.106 16.243 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 83 -16.288 15.943 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.397 15.572 0.966 1.00 0.00 H new ATOM 0 HE3 MET A 83 -16.136 17.176 0.745 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.298 17.922 3.189 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.871 18.035 2.907 1.00 0.00 C ATOM 1294 C ALA A 84 -8.475 17.158 1.727 1.00 0.00 C ATOM 1295 O ALA A 84 -8.112 15.994 1.902 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.060 17.671 4.142 1.00 0.00 C ATOM 0 H ALA A 84 -10.545 17.153 3.812 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.656 19.070 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.997 17.759 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.316 18.347 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.285 16.646 4.436 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.542 17.722 0.525 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.244 16.976 -0.689 1.00 0.00 C ATOM 1304 C ALA A 85 -6.783 17.135 -1.089 1.00 0.00 C ATOM 1305 O ALA A 85 -6.278 18.254 -1.195 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.163 17.418 -1.821 1.00 0.00 C ATOM 0 H ALA A 85 -8.801 18.696 0.367 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.420 15.919 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.928 16.852 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.200 17.238 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.019 18.481 -2.013 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.111 16.012 -1.315 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.750 16.025 -1.839 1.00 0.00 C ATOM 1314 C ASN A 86 -4.540 14.909 -2.854 1.00 0.00 C ATOM 1315 O ASN A 86 -5.450 14.130 -3.132 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.725 15.919 -0.725 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.558 14.525 -0.186 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.200 13.576 -0.652 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.762 14.410 0.847 1.00 0.00 N ATOM 0 H ASN A 86 -6.487 15.080 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.609 16.981 -2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.763 16.274 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.018 16.581 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.649 13.506 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.254 15.224 1.193 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.334 14.840 -3.409 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.038 13.912 -4.491 1.00 0.00 C ATOM 1328 C PRO A 87 -3.298 12.473 -4.070 1.00 0.00 C ATOM 1329 O PRO A 87 -3.605 11.615 -4.898 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.560 14.164 -4.806 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.333 15.583 -4.411 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.191 15.801 -3.194 1.00 0.00 C ATOM 0 HA PRO A 87 -3.671 14.066 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.914 13.488 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.347 14.007 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.282 15.766 -4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.611 16.264 -5.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.649 15.584 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.538 16.832 -3.124 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.174 12.212 -2.772 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.162 10.845 -2.263 1.00 0.00 C ATOM 1342 C GLN A 88 -4.524 10.453 -1.705 1.00 0.00 C ATOM 1343 O GLN A 88 -4.690 9.368 -1.149 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.094 10.685 -1.178 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.684 11.004 -1.641 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.228 10.102 -2.772 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.385 8.879 -2.712 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.344 10.699 -3.811 1.00 0.00 N ATOM 0 H GLN A 88 -3.080 12.930 -2.053 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.927 10.184 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.344 11.334 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.120 9.660 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.638 12.043 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.003 10.904 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.454 11.713 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.673 10.144 -4.601 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.500 11.343 -1.859 1.00 0.00 N ATOM 1358 CA GLY A 89 -6.859 11.075 -1.409 1.00 0.00 C ATOM 1359 C GLY A 89 -7.456 12.283 -0.700 1.00 0.00 C ATOM 1360 O GLY A 89 -6.890 13.379 -0.741 1.00 0.00 O ATOM 0 H GLY A 89 -5.373 12.257 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.481 10.808 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.859 10.219 -0.735 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.597 12.081 -0.051 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.293 13.166 0.630 1.00 0.00 C ATOM 1366 C ARG A 90 -9.968 12.670 1.904 1.00 0.00 C ATOM 1367 O ARG A 90 -10.227 11.476 2.055 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.278 13.879 -0.284 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.457 13.032 -0.738 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.416 13.741 -1.624 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.624 12.991 -1.927 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.614 13.428 -2.730 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.563 14.621 -3.281 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.651 12.634 -2.931 1.00 0.00 N ATOM 0 H ARG A 90 -9.060 11.175 0.018 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.542 13.903 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.659 14.760 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.743 14.233 -1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.078 12.154 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.991 12.673 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.697 14.683 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.913 13.988 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.730 12.070 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.765 15.231 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.321 14.936 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.686 11.718 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.416 12.937 -3.534 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.254 13.597 2.813 1.00 0.00 N ATOM 1389 CA VAL A 91 -10.949 13.263 4.051 1.00 0.00 C ATOM 1390 C VAL A 91 -11.771 14.443 4.553 1.00 0.00 C ATOM 1391 O VAL A 91 -11.299 15.580 4.571 1.00 0.00 O ATOM 1392 CB VAL A 91 -9.965 12.828 5.153 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.034 13.974 5.518 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -10.720 12.345 6.381 1.00 0.00 C ATOM 0 H VAL A 91 -10.016 14.584 2.716 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.614 12.430 3.824 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.364 12.003 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.345 13.649 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.468 14.277 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.621 14.818 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.009 12.042 7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.346 13.151 6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.347 11.495 6.112 1.00 0.00 H new ATOM 1404 N SER A 92 -13.004 14.168 4.963 1.00 0.00 N ATOM 1405 CA SER A 92 -13.960 15.220 5.282 1.00 0.00 C ATOM 1406 C SER A 92 -14.385 15.160 6.744 1.00 0.00 C ATOM 1407 O SER A 92 -14.274 14.115 7.388 1.00 0.00 O ATOM 1408 CB SER A 92 -15.171 15.115 4.375 1.00 0.00 C ATOM 1409 OG SER A 92 -15.867 13.914 4.563 1.00 0.00 O ATOM 0 H SER A 92 -13.365 13.222 5.082 1.00 0.00 H new ATOM 0 HA SER A 92 -13.473 16.181 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.840 15.955 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.852 15.190 3.335 1.00 0.00 H new ATOM 0 HG SER A 92 -16.640 13.887 3.962 1.00 0.00 H new ATOM 1415 N CYS A 93 -14.869 16.281 7.260 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.428 16.327 8.606 1.00 0.00 C ATOM 1417 C CYS A 93 -16.504 17.397 8.725 1.00 0.00 C ATOM 1418 O CYS A 93 -16.331 18.520 8.250 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.214 16.688 9.463 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.557 16.819 11.234 1.00 0.00 S ATOM 0 H CYS A 93 -14.886 17.173 6.766 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.911 15.395 8.898 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.441 15.935 9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.808 17.637 9.113 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.998 15.826 11.859 1.00 0.00 H new ATOM 1426 N THR A 94 -17.619 17.044 9.358 1.00 0.00 N ATOM 1427 CA THR A 94 -18.772 17.932 9.427 1.00 0.00 C ATOM 1428 C THR A 94 -18.512 19.102 10.366 1.00 0.00 C ATOM 1429 O THR A 94 -18.070 18.911 11.501 1.00 0.00 O ATOM 1430 CB THR A 94 -20.034 17.184 9.894 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.313 16.102 8.996 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.229 18.125 9.934 1.00 0.00 C ATOM 0 H THR A 94 -17.747 16.149 9.830 1.00 0.00 H new ATOM 0 HA THR A 94 -18.937 18.310 8.418 1.00 0.00 H new ATOM 0 HB THR A 94 -19.856 16.796 10.897 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.116 15.626 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.112 17.578 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.026 18.942 10.627 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.407 18.530 8.938 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.780 20.312 9.889 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.619 21.511 10.704 1.00 0.00 C ATOM 1442 C GLY A 95 -19.964 22.020 11.208 1.00 0.00 C ATOM 1443 O GLY A 95 -20.322 23.176 10.979 1.00 0.00 O ATOM 0 H GLY A 95 -19.110 20.489 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.969 21.293 11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.129 22.289 10.118 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.701 21.153 11.889 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.027 21.500 12.390 1.00 0.00 C ATOM 1449 C ARG A 96 -21.993 22.798 13.186 1.00 0.00 C ATOM 1450 O ARG A 96 -21.363 22.874 14.238 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.650 20.370 13.195 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.071 20.631 13.670 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.715 19.474 14.342 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.106 19.686 14.710 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.843 18.832 15.445 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.340 17.691 15.862 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.093 19.160 15.717 1.00 0.00 N ATOM 0 H ARG A 96 -20.404 20.202 12.108 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.666 21.658 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.646 19.465 12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.022 20.173 14.064 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.062 21.476 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.679 20.923 12.814 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.655 18.608 13.683 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.148 19.231 15.241 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.555 20.543 14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.379 17.442 15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.911 17.055 16.418 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.476 20.040 15.372 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.676 18.533 16.272 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.675 23.817 12.676 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.867 25.058 13.416 1.00 0.00 C ATOM 1473 C LEU A 97 -24.344 25.407 13.538 1.00 0.00 C ATOM 1474 O LEU A 97 -24.990 25.767 12.550 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.103 26.202 12.738 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.335 27.591 13.346 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.876 27.609 14.797 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.585 28.635 12.530 1.00 0.00 C ATOM 0 H LEU A 97 -23.105 23.808 11.751 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.473 24.915 14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.037 25.979 12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.384 26.232 11.685 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.399 27.825 13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.045 28.599 15.220 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.440 26.870 15.366 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.814 27.370 14.846 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.750 29.622 12.962 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.519 28.408 12.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.948 28.624 11.502 1.00 0.00 H new ATOM 1490 N MET A 98 -24.875 25.297 14.748 1.00 0.00 N ATOM 1491 CA MET A 98 -26.285 25.582 14.997 1.00 0.00 C ATOM 1492 C MET A 98 -26.472 26.992 15.543 1.00 0.00 C ATOM 1493 O MET A 98 -25.670 27.471 16.346 1.00 0.00 O ATOM 1494 CB MET A 98 -26.868 24.557 15.968 1.00 0.00 C ATOM 1495 CG MET A 98 -26.849 23.124 15.457 1.00 0.00 C ATOM 1496 SD MET A 98 -27.861 22.898 13.981 1.00 0.00 S ATOM 1497 CE MET A 98 -29.501 23.146 14.655 1.00 0.00 C ATOM 0 H MET A 98 -24.351 25.012 15.575 1.00 0.00 H new ATOM 0 HA MET A 98 -26.817 25.514 14.048 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.311 24.603 16.904 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.897 24.835 16.196 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.822 22.835 15.236 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.205 22.458 16.243 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.243 22.751 13.961 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.584 22.627 15.610 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.675 24.211 14.805 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.537 27.655 15.101 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.801 29.032 15.500 1.00 0.00 C ATOM 1509 C VAL A 99 -29.105 29.141 16.278 1.00 0.00 C ATOM 1510 O VAL A 99 -30.160 28.719 15.806 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.862 29.971 14.280 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.158 31.397 14.721 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.559 29.916 13.498 1.00 0.00 C ATOM 0 H VAL A 99 -28.231 27.260 14.466 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.974 29.337 16.141 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.669 29.636 13.628 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.198 32.047 13.847 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.117 31.426 15.239 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.372 31.740 15.393 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.621 30.586 12.640 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.735 30.226 14.141 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.385 28.897 13.151 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.026 29.709 17.478 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.199 29.872 18.326 1.00 0.00 C ATOM 1525 C GLN A 100 -30.700 31.309 18.301 1.00 0.00 C ATOM 1526 O GLN A 100 -29.932 32.252 18.495 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.881 29.459 19.765 1.00 0.00 C ATOM 1528 CG GLN A 100 -31.068 29.533 20.711 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.736 29.014 22.097 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.636 28.512 22.341 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.688 29.131 23.015 1.00 0.00 N ATOM 0 H GLN A 100 -28.160 30.064 17.884 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.984 29.226 17.934 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.496 28.439 19.762 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -29.086 30.099 20.147 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.407 30.566 20.784 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.895 28.955 20.298 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.584 29.553 22.770 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.524 28.799 23.965 1.00 0.00 H new