USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 41 HIS :FLIP no HE2:sc= -4.47! C(o=-14!,f=-11!) USER MOD Set 1.2: A 45 HIS : no HE2:sc= -6.31! C(o=-11!,f=-12!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0523) USER MOD Single : A 12 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.6!) USER MOD Single : A 21 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 23 SER OG : rot -150:sc= 0.157 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.34) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.53) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 94:sc= 1.06 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -169:sc= 0 (180deg=-0.0808) USER MOD Single : A 58 MET CE :methyl -153:sc= -0.336 (180deg=-1.42) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.49! C(o=-5.5!,f=-10!) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00837 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 69.358 -1.817 -12.548 1.00 0.00 N ATOM 37 CA THR A 3 69.086 -2.276 -13.933 1.00 0.00 C ATOM 38 C THR A 3 69.769 -1.333 -14.934 1.00 0.00 C ATOM 39 O THR A 3 70.618 -0.540 -14.574 1.00 0.00 O ATOM 40 CB THR A 3 67.562 -2.336 -14.165 1.00 0.00 C ATOM 41 OG1 THR A 3 67.251 -3.515 -14.893 1.00 0.00 O ATOM 42 CG2 THR A 3 67.064 -1.116 -14.952 1.00 0.00 C ATOM 0 HA THR A 3 69.493 -3.276 -14.081 1.00 0.00 H new ATOM 0 HB THR A 3 67.068 -2.340 -13.193 1.00 0.00 H new ATOM 0 HG1 THR A 3 66.284 -3.561 -15.043 1.00 0.00 H new ATOM 0 HG21 THR A 3 65.986 -1.192 -15.097 1.00 0.00 H new ATOM 0 HG22 THR A 3 67.292 -0.207 -14.396 1.00 0.00 H new ATOM 0 HG23 THR A 3 67.559 -1.082 -15.922 1.00 0.00 H new ATOM 50 N LYS A 4 69.408 -1.421 -16.184 1.00 0.00 N ATOM 51 CA LYS A 4 70.033 -0.540 -17.212 1.00 0.00 C ATOM 52 C LYS A 4 70.181 0.883 -16.665 1.00 0.00 C ATOM 53 O LYS A 4 71.198 1.238 -16.103 1.00 0.00 O ATOM 54 CB LYS A 4 69.151 -0.514 -18.463 1.00 0.00 C ATOM 55 CG LYS A 4 69.198 -1.880 -19.149 1.00 0.00 C ATOM 56 CD LYS A 4 68.339 -1.847 -20.414 1.00 0.00 C ATOM 57 CE LYS A 4 67.054 -2.643 -20.180 1.00 0.00 C ATOM 58 NZ LYS A 4 66.438 -2.988 -21.492 1.00 0.00 N ATOM 0 H LYS A 4 68.704 -2.068 -16.540 1.00 0.00 H new ATOM 0 HA LYS A 4 71.019 -0.930 -17.464 1.00 0.00 H new ATOM 0 HB2 LYS A 4 68.125 -0.266 -18.192 1.00 0.00 H new ATOM 0 HB3 LYS A 4 69.496 0.261 -19.148 1.00 0.00 H new ATOM 0 HG2 LYS A 4 70.227 -2.136 -19.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.835 -2.652 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 4 68.098 -0.817 -20.676 1.00 0.00 H new ATOM 0 HD3 LYS A 4 68.893 -2.268 -21.253 1.00 0.00 H new ATOM 0 HE2 LYS A 4 67.273 -3.551 -19.619 1.00 0.00 H new ATOM 0 HE3 LYS A 4 66.356 -2.059 -19.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 65.564 -3.529 -21.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 66.215 -2.115 -22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 67.104 -3.561 -22.048 1.00 0.00 H new ATOM 72 N GLU A 5 69.179 1.704 -16.833 1.00 0.00 N ATOM 73 CA GLU A 5 69.271 3.102 -16.334 1.00 0.00 C ATOM 74 C GLU A 5 68.771 3.181 -14.900 1.00 0.00 C ATOM 75 O GLU A 5 68.430 4.233 -14.398 1.00 0.00 O ATOM 76 CB GLU A 5 68.422 4.011 -17.214 1.00 0.00 C ATOM 77 CG GLU A 5 69.287 4.614 -18.323 1.00 0.00 C ATOM 78 CD GLU A 5 69.792 3.498 -19.241 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.988 2.957 -19.981 1.00 0.00 O ATOM 80 OE2 GLU A 5 70.976 3.205 -19.188 1.00 0.00 O ATOM 0 H GLU A 5 68.302 1.465 -17.295 1.00 0.00 H new ATOM 0 HA GLU A 5 70.312 3.422 -16.367 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.599 3.445 -17.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.980 4.805 -16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 5 68.708 5.338 -18.897 1.00 0.00 H new ATOM 0 HG3 GLU A 5 70.130 5.152 -17.889 1.00 0.00 H new ATOM 87 N GLU A 6 68.738 2.074 -14.243 1.00 0.00 N ATOM 88 CA GLU A 6 68.275 2.051 -12.832 1.00 0.00 C ATOM 89 C GLU A 6 69.439 2.371 -11.907 1.00 0.00 C ATOM 90 O GLU A 6 69.327 2.342 -10.697 1.00 0.00 O ATOM 91 CB GLU A 6 67.736 0.668 -12.502 1.00 0.00 C ATOM 92 CG GLU A 6 66.247 0.600 -12.849 1.00 0.00 C ATOM 93 CD GLU A 6 65.452 1.447 -11.854 1.00 0.00 C ATOM 94 OE1 GLU A 6 65.680 1.299 -10.664 1.00 0.00 O ATOM 95 OE2 GLU A 6 64.627 2.229 -12.298 1.00 0.00 O ATOM 0 H GLU A 6 69.014 1.168 -14.621 1.00 0.00 H new ATOM 0 HA GLU A 6 67.489 2.794 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 6 68.285 -0.090 -13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 6 67.883 0.452 -11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 6 66.082 0.962 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 6 65.903 -0.434 -12.819 1.00 0.00 H new ATOM 102 N LYS A 7 70.547 2.679 -12.483 1.00 0.00 N ATOM 103 CA LYS A 7 71.751 3.014 -11.686 1.00 0.00 C ATOM 104 C LYS A 7 72.290 4.377 -12.121 1.00 0.00 C ATOM 105 O LYS A 7 72.832 5.122 -11.329 1.00 0.00 O ATOM 106 CB LYS A 7 72.825 1.946 -11.900 1.00 0.00 C ATOM 107 CG LYS A 7 73.206 1.889 -13.381 1.00 0.00 C ATOM 108 CD LYS A 7 74.328 2.891 -13.661 1.00 0.00 C ATOM 109 CE LYS A 7 75.455 2.196 -14.427 1.00 0.00 C ATOM 110 NZ LYS A 7 76.333 3.222 -15.059 1.00 0.00 N ATOM 0 H LYS A 7 70.680 2.716 -13.494 1.00 0.00 H new ATOM 0 HA LYS A 7 71.485 3.050 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.704 2.174 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.456 0.974 -11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 7 73.529 0.882 -13.645 1.00 0.00 H new ATOM 0 HG3 LYS A 7 72.338 2.117 -13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.944 3.730 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.708 3.298 -12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.037 1.571 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.039 1.538 -15.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.099 2.750 -15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.773 3.801 -15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.740 3.832 -14.322 1.00 0.00 H new ATOM 124 N GLN A 8 72.150 4.709 -13.374 1.00 0.00 N ATOM 125 CA GLN A 8 72.659 6.023 -13.855 1.00 0.00 C ATOM 126 C GLN A 8 71.985 7.155 -13.074 1.00 0.00 C ATOM 127 O GLN A 8 72.543 8.220 -12.903 1.00 0.00 O ATOM 128 CB GLN A 8 72.352 6.178 -15.347 1.00 0.00 C ATOM 129 CG GLN A 8 70.838 6.154 -15.566 1.00 0.00 C ATOM 130 CD GLN A 8 70.426 7.355 -16.418 1.00 0.00 C ATOM 131 OE1 GLN A 8 69.439 8.006 -16.136 1.00 0.00 O ATOM 132 NE2 GLN A 8 71.146 7.680 -17.457 1.00 0.00 N ATOM 0 H GLN A 8 71.706 4.128 -14.085 1.00 0.00 H new ATOM 0 HA GLN A 8 73.737 6.069 -13.700 1.00 0.00 H new ATOM 0 HB2 GLN A 8 72.768 7.114 -15.719 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.824 5.373 -15.911 1.00 0.00 H new ATOM 0 HG2 GLN A 8 70.546 5.227 -16.060 1.00 0.00 H new ATOM 0 HG3 GLN A 8 70.321 6.181 -14.607 1.00 0.00 H new ATOM 0 HE21 GLN A 8 71.974 7.134 -17.694 1.00 0.00 H new ATOM 0 HE22 GLN A 8 70.880 8.480 -18.032 1.00 0.00 H new ATOM 141 N LYS A 9 70.789 6.934 -12.601 1.00 0.00 N ATOM 142 CA LYS A 9 70.083 7.996 -11.838 1.00 0.00 C ATOM 143 C LYS A 9 70.407 7.862 -10.348 1.00 0.00 C ATOM 144 O LYS A 9 70.198 8.774 -9.573 1.00 0.00 O ATOM 145 CB LYS A 9 68.574 7.860 -12.048 1.00 0.00 C ATOM 146 CG LYS A 9 68.100 6.510 -11.504 1.00 0.00 C ATOM 147 CD LYS A 9 66.598 6.573 -11.220 1.00 0.00 C ATOM 148 CE LYS A 9 65.823 6.179 -12.477 1.00 0.00 C ATOM 149 NZ LYS A 9 65.432 7.407 -13.225 1.00 0.00 N ATOM 0 H LYS A 9 70.272 6.062 -12.711 1.00 0.00 H new ATOM 0 HA LYS A 9 70.412 8.973 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.051 8.671 -11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.335 7.940 -13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.312 5.721 -12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.643 6.262 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.344 5.903 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.318 7.579 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.436 5.536 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.935 5.607 -12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 65.498 7.227 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.455 7.666 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.071 8.187 -12.970 1.00 0.00 H new ATOM 163 N VAL A 10 70.913 6.731 -9.941 1.00 0.00 N ATOM 164 CA VAL A 10 71.245 6.538 -8.506 1.00 0.00 C ATOM 165 C VAL A 10 72.552 7.260 -8.175 1.00 0.00 C ATOM 166 O VAL A 10 72.705 7.833 -7.115 1.00 0.00 O ATOM 167 CB VAL A 10 71.399 5.045 -8.214 1.00 0.00 C ATOM 168 CG1 VAL A 10 71.812 4.851 -6.754 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.065 4.338 -8.464 1.00 0.00 C ATOM 0 H VAL A 10 71.110 5.932 -10.543 1.00 0.00 H new ATOM 0 HA VAL A 10 70.442 6.949 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 10 72.163 4.623 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 10 71.922 3.787 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 10 72.761 5.356 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.048 5.272 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 10 70.173 3.273 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 10 69.302 4.760 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 10 69.769 4.477 -9.504 1.00 0.00 H new ATOM 179 N ILE A 11 73.499 7.228 -9.070 1.00 0.00 N ATOM 180 CA ILE A 11 74.796 7.899 -8.806 1.00 0.00 C ATOM 181 C ILE A 11 74.683 9.377 -9.146 1.00 0.00 C ATOM 182 O ILE A 11 75.081 10.241 -8.394 1.00 0.00 O ATOM 183 CB ILE A 11 75.904 7.231 -9.638 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.145 7.931 -10.992 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.545 5.766 -9.887 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.089 7.499 -12.003 1.00 0.00 C ATOM 0 H ILE A 11 73.428 6.764 -9.975 1.00 0.00 H new ATOM 0 HA ILE A 11 75.051 7.803 -7.751 1.00 0.00 H new ATOM 0 HB ILE A 11 76.826 7.312 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.113 9.013 -10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.139 7.684 -11.365 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.331 5.294 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.447 5.248 -8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.601 5.710 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.270 8.000 -12.954 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.142 6.420 -12.145 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.100 7.769 -11.633 1.00 0.00 H new ATOM 198 N GLN A 12 74.141 9.656 -10.283 1.00 0.00 N ATOM 199 CA GLN A 12 73.976 11.077 -10.721 1.00 0.00 C ATOM 200 C GLN A 12 73.588 11.910 -9.503 1.00 0.00 C ATOM 201 O GLN A 12 73.982 13.049 -9.354 1.00 0.00 O ATOM 202 CB GLN A 12 72.878 11.169 -11.785 1.00 0.00 C ATOM 203 CG GLN A 12 71.510 10.951 -11.136 1.00 0.00 C ATOM 204 CD GLN A 12 70.409 11.297 -12.141 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.681 11.530 -13.302 1.00 0.00 O ATOM 206 NE2 GLN A 12 69.168 11.341 -11.741 1.00 0.00 N ATOM 0 H GLN A 12 73.797 8.960 -10.945 1.00 0.00 H new ATOM 0 HA GLN A 12 74.907 11.449 -11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.910 12.145 -12.270 1.00 0.00 H new ATOM 0 HB3 GLN A 12 73.046 10.422 -12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 12 71.410 9.915 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.414 11.573 -10.246 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.939 11.145 -10.766 1.00 0.00 H new ATOM 0 HE22 GLN A 12 68.427 11.571 -12.403 1.00 0.00 H new ATOM 215 N GLU A 13 72.843 11.318 -8.614 1.00 0.00 N ATOM 216 CA GLU A 13 72.445 12.023 -7.375 1.00 0.00 C ATOM 217 C GLU A 13 73.490 11.732 -6.296 1.00 0.00 C ATOM 218 O GLU A 13 73.851 12.587 -5.511 1.00 0.00 O ATOM 219 CB GLU A 13 71.074 11.524 -6.913 1.00 0.00 C ATOM 220 CG GLU A 13 69.976 12.351 -7.583 1.00 0.00 C ATOM 221 CD GLU A 13 68.781 12.477 -6.636 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.091 11.489 -6.449 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.575 13.560 -6.114 1.00 0.00 O ATOM 0 H GLU A 13 72.491 10.364 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 13 72.384 13.096 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.955 10.470 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.993 11.603 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.356 13.340 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.667 11.877 -8.515 1.00 0.00 H new ATOM 230 N PHE A 14 73.980 10.519 -6.260 1.00 0.00 N ATOM 231 CA PHE A 14 75.000 10.145 -5.249 1.00 0.00 C ATOM 232 C PHE A 14 76.402 10.448 -5.783 1.00 0.00 C ATOM 233 O PHE A 14 77.097 11.299 -5.266 1.00 0.00 O ATOM 234 CB PHE A 14 74.884 8.653 -4.938 1.00 0.00 C ATOM 235 CG PHE A 14 73.786 8.434 -3.924 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.756 9.195 -2.750 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.801 7.468 -4.158 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.739 8.993 -1.810 1.00 0.00 C ATOM 239 CE2 PHE A 14 71.783 7.265 -3.217 1.00 0.00 C ATOM 240 CZ PHE A 14 71.752 8.027 -2.043 1.00 0.00 C ATOM 0 H PHE A 14 73.711 9.769 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 14 74.832 10.723 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.668 8.096 -5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.831 8.276 -4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.518 9.939 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 14 72.825 6.879 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.715 9.582 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.022 6.520 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 14 70.968 7.870 -1.317 1.00 0.00 H new ATOM 250 N ALA A 15 76.828 9.754 -6.809 1.00 0.00 N ATOM 251 CA ALA A 15 78.190 10.003 -7.367 1.00 0.00 C ATOM 252 C ALA A 15 78.471 11.505 -7.399 1.00 0.00 C ATOM 253 O ALA A 15 77.639 12.295 -7.797 1.00 0.00 O ATOM 254 CB ALA A 15 78.281 9.454 -8.792 1.00 0.00 C ATOM 0 H ALA A 15 76.291 9.027 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 15 78.922 9.503 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.278 9.640 -9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.089 8.381 -8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.541 9.949 -9.421 1.00 0.00 H new ATOM 260 N ARG A 16 79.643 11.903 -6.991 1.00 0.00 N ATOM 261 CA ARG A 16 79.984 13.351 -7.009 1.00 0.00 C ATOM 262 C ARG A 16 80.662 13.681 -8.337 1.00 0.00 C ATOM 263 O ARG A 16 81.390 14.645 -8.469 1.00 0.00 O ATOM 264 CB ARG A 16 80.923 13.665 -5.842 1.00 0.00 C ATOM 265 CG ARG A 16 81.451 15.089 -5.979 1.00 0.00 C ATOM 266 CD ARG A 16 81.447 15.771 -4.610 1.00 0.00 C ATOM 267 NE ARG A 16 81.124 17.217 -4.776 1.00 0.00 N ATOM 268 CZ ARG A 16 80.897 17.959 -3.728 1.00 0.00 C ATOM 269 NH1 ARG A 16 79.735 17.916 -3.136 1.00 0.00 N ATOM 270 NH2 ARG A 16 81.833 18.748 -3.274 1.00 0.00 N ATOM 0 H ARG A 16 80.379 11.287 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 16 79.081 13.953 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 16 80.394 13.552 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 16 81.753 12.958 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 16 82.462 15.075 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.833 15.651 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 16 80.714 15.296 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 16 82.420 15.657 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 16 81.081 17.626 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 16 79.003 17.302 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 16 79.558 18.497 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 16 82.740 18.783 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 81.657 19.329 -2.454 1.00 0.00 H new ATOM 284 N PHE A 17 80.422 12.873 -9.318 1.00 0.00 N ATOM 285 CA PHE A 17 81.036 13.096 -10.653 1.00 0.00 C ATOM 286 C PHE A 17 80.508 12.030 -11.608 1.00 0.00 C ATOM 287 O PHE A 17 79.857 11.096 -11.186 1.00 0.00 O ATOM 288 CB PHE A 17 82.557 12.967 -10.521 1.00 0.00 C ATOM 289 CG PHE A 17 83.176 14.340 -10.398 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.735 15.387 -11.215 1.00 0.00 C ATOM 291 CD2 PHE A 17 84.191 14.566 -9.459 1.00 0.00 C ATOM 292 CE1 PHE A 17 83.309 16.658 -11.095 1.00 0.00 C ATOM 293 CE2 PHE A 17 84.765 15.836 -9.340 1.00 0.00 C ATOM 294 CZ PHE A 17 84.324 16.883 -10.158 1.00 0.00 C ATOM 0 H PHE A 17 79.818 12.054 -9.256 1.00 0.00 H new ATOM 0 HA PHE A 17 80.788 14.087 -11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.806 12.366 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.965 12.450 -11.390 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.952 15.214 -11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 17 84.530 13.759 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.968 17.466 -11.726 1.00 0.00 H new ATOM 0 HE2 PHE A 17 85.548 16.009 -8.617 1.00 0.00 H new ATOM 0 HZ PHE A 17 84.767 17.864 -10.066 1.00 0.00 H new ATOM 304 N PRO A 18 80.818 12.185 -12.864 1.00 0.00 N ATOM 305 CA PRO A 18 80.400 11.223 -13.892 1.00 0.00 C ATOM 306 C PRO A 18 81.160 9.908 -13.700 1.00 0.00 C ATOM 307 O PRO A 18 80.895 8.919 -14.354 1.00 0.00 O ATOM 308 CB PRO A 18 80.748 11.923 -15.210 1.00 0.00 C ATOM 309 CG PRO A 18 81.813 12.989 -14.861 1.00 0.00 C ATOM 310 CD PRO A 18 81.623 13.315 -13.373 1.00 0.00 C ATOM 0 HA PRO A 18 79.343 10.958 -13.856 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.134 11.211 -15.940 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.865 12.384 -15.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.818 12.612 -15.051 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.686 13.881 -15.474 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.579 13.390 -12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.109 14.266 -13.234 1.00 0.00 H new ATOM 318 N GLY A 19 82.091 9.892 -12.782 1.00 0.00 N ATOM 319 CA GLY A 19 82.860 8.651 -12.508 1.00 0.00 C ATOM 320 C GLY A 19 82.971 8.457 -10.990 1.00 0.00 C ATOM 321 O GLY A 19 83.618 7.543 -10.519 1.00 0.00 O ATOM 0 H GLY A 19 82.350 10.694 -12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.364 7.793 -12.962 1.00 0.00 H new ATOM 0 HA3 GLY A 19 83.853 8.717 -12.953 1.00 0.00 H new ATOM 325 N ASP A 20 82.343 9.312 -10.215 1.00 0.00 N ATOM 326 CA ASP A 20 82.416 9.171 -8.737 1.00 0.00 C ATOM 327 C ASP A 20 81.254 8.312 -8.250 1.00 0.00 C ATOM 328 O ASP A 20 80.718 8.513 -7.179 1.00 0.00 O ATOM 329 CB ASP A 20 82.353 10.547 -8.074 1.00 0.00 C ATOM 330 CG ASP A 20 83.766 11.120 -7.954 1.00 0.00 C ATOM 331 OD1 ASP A 20 84.692 10.456 -8.391 1.00 0.00 O ATOM 332 OD2 ASP A 20 83.899 12.211 -7.425 1.00 0.00 O ATOM 0 H ASP A 20 81.785 10.098 -10.549 1.00 0.00 H new ATOM 0 HA ASP A 20 83.359 8.694 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.726 11.217 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 20 81.897 10.467 -7.087 1.00 0.00 H new ATOM 337 N THR A 21 80.872 7.349 -9.031 1.00 0.00 N ATOM 338 CA THR A 21 79.750 6.454 -8.632 1.00 0.00 C ATOM 339 C THR A 21 80.326 5.298 -7.821 1.00 0.00 C ATOM 340 O THR A 21 79.669 4.727 -6.974 1.00 0.00 O ATOM 341 CB THR A 21 79.053 5.910 -9.879 1.00 0.00 C ATOM 342 OG1 THR A 21 78.283 4.768 -9.528 1.00 0.00 O ATOM 343 CG2 THR A 21 80.101 5.519 -10.920 1.00 0.00 C ATOM 0 H THR A 21 81.290 7.138 -9.937 1.00 0.00 H new ATOM 0 HA THR A 21 79.023 7.007 -8.037 1.00 0.00 H new ATOM 0 HB THR A 21 78.399 6.677 -10.295 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.234 4.158 -10.294 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.604 5.131 -11.809 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.692 6.395 -11.188 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.756 4.752 -10.507 1.00 0.00 H new ATOM 351 N GLY A 22 81.564 4.968 -8.058 1.00 0.00 N ATOM 352 CA GLY A 22 82.201 3.874 -7.280 1.00 0.00 C ATOM 353 C GLY A 22 82.728 4.459 -5.969 1.00 0.00 C ATOM 354 O GLY A 22 83.187 3.747 -5.098 1.00 0.00 O ATOM 0 H GLY A 22 82.161 5.409 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 22 81.480 3.082 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.015 3.427 -7.850 1.00 0.00 H new ATOM 358 N SER A 23 82.662 5.760 -5.824 1.00 0.00 N ATOM 359 CA SER A 23 83.154 6.399 -4.570 1.00 0.00 C ATOM 360 C SER A 23 82.623 5.622 -3.363 1.00 0.00 C ATOM 361 O SER A 23 81.740 4.798 -3.486 1.00 0.00 O ATOM 362 CB SER A 23 82.657 7.847 -4.507 1.00 0.00 C ATOM 363 OG SER A 23 81.504 7.914 -3.678 1.00 0.00 O ATOM 0 H SER A 23 82.288 6.404 -6.521 1.00 0.00 H new ATOM 0 HA SER A 23 84.244 6.389 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.440 8.495 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.420 8.206 -5.509 1.00 0.00 H new ATOM 0 HG SER A 23 80.924 8.642 -3.983 1.00 0.00 H new ATOM 369 N THR A 24 83.154 5.876 -2.199 1.00 0.00 N ATOM 370 CA THR A 24 82.677 5.147 -0.990 1.00 0.00 C ATOM 371 C THR A 24 81.249 5.586 -0.658 1.00 0.00 C ATOM 372 O THR A 24 80.508 4.874 -0.013 1.00 0.00 O ATOM 373 CB THR A 24 83.592 5.459 0.195 1.00 0.00 C ATOM 374 OG1 THR A 24 84.842 4.810 0.010 1.00 0.00 O ATOM 375 CG2 THR A 24 82.939 4.961 1.485 1.00 0.00 C ATOM 0 H THR A 24 83.896 6.556 -2.033 1.00 0.00 H new ATOM 0 HA THR A 24 82.693 4.075 -1.187 1.00 0.00 H new ATOM 0 HB THR A 24 83.751 6.535 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.430 5.011 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.590 5.182 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.980 5.461 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.781 3.884 1.421 1.00 0.00 H new ATOM 383 N GLU A 25 80.858 6.752 -1.092 1.00 0.00 N ATOM 384 CA GLU A 25 79.478 7.229 -0.799 1.00 0.00 C ATOM 385 C GLU A 25 78.478 6.422 -1.625 1.00 0.00 C ATOM 386 O GLU A 25 77.722 5.625 -1.104 1.00 0.00 O ATOM 387 CB GLU A 25 79.363 8.709 -1.170 1.00 0.00 C ATOM 388 CG GLU A 25 79.731 9.568 0.039 1.00 0.00 C ATOM 389 CD GLU A 25 81.203 9.972 -0.049 1.00 0.00 C ATOM 390 OE1 GLU A 25 81.803 9.726 -1.083 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.705 10.521 0.917 1.00 0.00 O ATOM 0 H GLU A 25 81.434 7.394 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 25 79.265 7.101 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.024 8.938 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.347 8.936 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.101 10.457 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 25 79.550 9.014 0.960 1.00 0.00 H new ATOM 398 N VAL A 26 78.472 6.622 -2.912 1.00 0.00 N ATOM 399 CA VAL A 26 77.529 5.870 -3.783 1.00 0.00 C ATOM 400 C VAL A 26 77.557 4.391 -3.399 1.00 0.00 C ATOM 401 O VAL A 26 76.588 3.678 -3.568 1.00 0.00 O ATOM 402 CB VAL A 26 77.953 6.025 -5.246 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.190 5.021 -6.110 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.640 7.446 -5.720 1.00 0.00 C ATOM 0 H VAL A 26 79.083 7.277 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 26 76.520 6.262 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 26 79.023 5.839 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.493 5.133 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.413 4.008 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.119 5.205 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 26 77.942 7.557 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.570 7.632 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.185 8.163 -5.106 1.00 0.00 H new ATOM 414 N GLN A 27 78.661 3.923 -2.882 1.00 0.00 N ATOM 415 CA GLN A 27 78.738 2.493 -2.490 1.00 0.00 C ATOM 416 C GLN A 27 77.900 2.275 -1.237 1.00 0.00 C ATOM 417 O GLN A 27 77.079 1.386 -1.177 1.00 0.00 O ATOM 418 CB GLN A 27 80.193 2.105 -2.217 1.00 0.00 C ATOM 419 CG GLN A 27 81.020 2.307 -3.487 1.00 0.00 C ATOM 420 CD GLN A 27 81.211 0.964 -4.192 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.777 0.045 -3.633 1.00 0.00 O ATOM 422 NE2 GLN A 27 80.759 0.808 -5.407 1.00 0.00 N ATOM 0 H GLN A 27 79.507 4.468 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 27 78.355 1.871 -3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.597 2.712 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.249 1.065 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.519 3.010 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.989 2.740 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 27 80.284 1.578 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 27 80.881 -0.084 -5.886 1.00 0.00 H new ATOM 431 N VAL A 28 78.083 3.090 -0.237 1.00 0.00 N ATOM 432 CA VAL A 28 77.269 2.929 0.994 1.00 0.00 C ATOM 433 C VAL A 28 75.811 2.775 0.572 1.00 0.00 C ATOM 434 O VAL A 28 75.044 2.073 1.193 1.00 0.00 O ATOM 435 CB VAL A 28 77.433 4.167 1.878 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.395 4.144 3.000 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.838 4.176 2.485 1.00 0.00 C ATOM 0 H VAL A 28 78.757 3.855 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 28 77.590 2.054 1.560 1.00 0.00 H new ATOM 0 HB VAL A 28 77.289 5.062 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.517 5.028 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.394 4.139 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.534 3.248 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.956 5.057 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 28 78.980 3.278 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.579 4.199 1.686 1.00 0.00 H new ATOM 447 N ALA A 29 75.426 3.412 -0.501 1.00 0.00 N ATOM 448 CA ALA A 29 74.026 3.271 -0.969 1.00 0.00 C ATOM 449 C ALA A 29 73.833 1.848 -1.482 1.00 0.00 C ATOM 450 O ALA A 29 72.866 1.188 -1.164 1.00 0.00 O ATOM 451 CB ALA A 29 73.747 4.270 -2.090 1.00 0.00 C ATOM 0 H ALA A 29 76.019 4.019 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 29 73.336 3.471 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.717 4.159 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.901 5.284 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.424 4.081 -2.923 1.00 0.00 H new ATOM 457 N LEU A 30 74.760 1.359 -2.262 1.00 0.00 N ATOM 458 CA LEU A 30 74.631 -0.026 -2.770 1.00 0.00 C ATOM 459 C LEU A 30 74.747 -0.992 -1.585 1.00 0.00 C ATOM 460 O LEU A 30 74.447 -2.165 -1.693 1.00 0.00 O ATOM 461 CB LEU A 30 75.733 -0.296 -3.809 1.00 0.00 C ATOM 462 CG LEU A 30 76.998 -0.838 -3.133 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.961 -2.367 -3.128 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.231 -0.363 -3.906 1.00 0.00 C ATOM 0 H LEU A 30 75.595 1.860 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 30 73.665 -0.169 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.375 -1.013 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.967 0.624 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 30 77.046 -0.472 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.861 -2.751 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.083 -2.708 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.913 -2.733 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.131 -0.747 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.181 -0.729 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.260 0.727 -3.911 1.00 0.00 H new ATOM 476 N LEU A 31 75.179 -0.499 -0.452 1.00 0.00 N ATOM 477 CA LEU A 31 75.314 -1.374 0.737 1.00 0.00 C ATOM 478 C LEU A 31 73.903 -1.726 1.222 1.00 0.00 C ATOM 479 O LEU A 31 73.657 -2.784 1.762 1.00 0.00 O ATOM 480 CB LEU A 31 76.095 -0.623 1.837 1.00 0.00 C ATOM 481 CG LEU A 31 75.129 0.077 2.793 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.647 -0.921 3.846 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.833 1.243 3.486 1.00 0.00 C ATOM 0 H LEU A 31 75.443 0.475 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 31 75.859 -2.286 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.721 -1.323 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.762 0.110 1.383 1.00 0.00 H new ATOM 0 HG LEU A 31 74.278 0.457 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.958 -0.425 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.137 -1.750 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.502 -1.301 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.138 1.736 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.687 0.869 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.177 1.957 2.738 1.00 0.00 H new ATOM 495 N THR A 32 72.983 -0.820 1.028 1.00 0.00 N ATOM 496 CA THR A 32 71.583 -1.052 1.468 1.00 0.00 C ATOM 497 C THR A 32 70.922 -2.083 0.548 1.00 0.00 C ATOM 498 O THR A 32 70.282 -3.012 0.999 1.00 0.00 O ATOM 499 CB THR A 32 70.825 0.289 1.425 1.00 0.00 C ATOM 500 OG1 THR A 32 69.832 0.301 2.440 1.00 0.00 O ATOM 501 CG2 THR A 32 70.160 0.492 0.061 1.00 0.00 C ATOM 0 H THR A 32 73.147 0.081 0.578 1.00 0.00 H new ATOM 0 HA THR A 32 71.562 -1.441 2.486 1.00 0.00 H new ATOM 0 HB THR A 32 71.537 1.098 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.350 1.154 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.630 1.445 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.922 0.493 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.454 -0.317 -0.123 1.00 0.00 H new ATOM 509 N LEU A 33 71.070 -1.925 -0.738 1.00 0.00 N ATOM 510 CA LEU A 33 70.450 -2.895 -1.683 1.00 0.00 C ATOM 511 C LEU A 33 70.907 -4.314 -1.331 1.00 0.00 C ATOM 512 O LEU A 33 70.108 -5.176 -1.027 1.00 0.00 O ATOM 513 CB LEU A 33 70.877 -2.563 -3.113 1.00 0.00 C ATOM 514 CG LEU A 33 70.304 -3.608 -4.072 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.360 -2.927 -5.065 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.447 -4.280 -4.836 1.00 0.00 C ATOM 0 H LEU A 33 71.593 -1.166 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 33 69.365 -2.832 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.524 -1.569 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.965 -2.546 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 33 69.754 -4.359 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.952 -3.672 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 33 68.545 -2.447 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.909 -2.176 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.039 -5.025 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.996 -3.529 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.121 -4.766 -4.130 1.00 0.00 H new ATOM 528 N ARG A 34 72.189 -4.560 -1.373 1.00 0.00 N ATOM 529 CA ARG A 34 72.698 -5.922 -1.042 1.00 0.00 C ATOM 530 C ARG A 34 72.081 -6.396 0.276 1.00 0.00 C ATOM 531 O ARG A 34 71.993 -7.578 0.540 1.00 0.00 O ATOM 532 CB ARG A 34 74.221 -5.876 -0.904 1.00 0.00 C ATOM 533 CG ARG A 34 74.847 -6.983 -1.756 1.00 0.00 C ATOM 534 CD ARG A 34 76.147 -6.474 -2.381 1.00 0.00 C ATOM 535 NE ARG A 34 76.296 -7.041 -3.751 1.00 0.00 N ATOM 536 CZ ARG A 34 76.445 -6.245 -4.775 1.00 0.00 C ATOM 537 NH1 ARG A 34 75.484 -5.428 -5.111 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.553 -6.266 -5.462 1.00 0.00 N ATOM 0 H ARG A 34 72.905 -3.877 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 34 72.424 -6.614 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.596 -4.903 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.506 -6.002 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.046 -7.861 -1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.152 -7.292 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.139 -5.385 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.997 -6.762 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 34 76.282 -8.052 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.617 -5.412 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.600 -4.806 -5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.304 -6.905 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.669 -5.644 -6.262 1.00 0.00 H new ATOM 552 N ILE A 35 71.653 -5.483 1.104 1.00 0.00 N ATOM 553 CA ILE A 35 71.044 -5.868 2.396 1.00 0.00 C ATOM 554 C ILE A 35 69.628 -6.388 2.137 1.00 0.00 C ATOM 555 O ILE A 35 69.228 -7.422 2.636 1.00 0.00 O ATOM 556 CB ILE A 35 71.023 -4.617 3.292 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.070 -4.768 4.396 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.646 -4.409 3.922 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.356 -4.063 3.965 1.00 0.00 C ATOM 0 H ILE A 35 71.702 -4.479 0.934 1.00 0.00 H new ATOM 0 HA ILE A 35 71.611 -6.657 2.891 1.00 0.00 H new ATOM 0 HB ILE A 35 71.250 -3.748 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.700 -4.339 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.265 -5.823 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.664 -3.518 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.901 -4.285 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.390 -5.276 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.108 -4.166 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.727 -4.513 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.152 -3.006 3.795 1.00 0.00 H new ATOM 571 N ASN A 36 68.870 -5.661 1.370 1.00 0.00 N ATOM 572 CA ASN A 36 67.472 -6.080 1.072 1.00 0.00 C ATOM 573 C ASN A 36 67.468 -7.444 0.375 1.00 0.00 C ATOM 574 O ASN A 36 66.659 -8.298 0.678 1.00 0.00 O ATOM 575 CB ASN A 36 66.814 -5.044 0.160 1.00 0.00 C ATOM 576 CG ASN A 36 66.106 -3.989 1.012 1.00 0.00 C ATOM 577 OD1 ASN A 36 65.368 -4.318 1.919 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.303 -2.724 0.759 1.00 0.00 N ATOM 0 H ASN A 36 69.160 -4.787 0.932 1.00 0.00 H new ATOM 0 HA ASN A 36 66.917 -6.155 2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.566 -4.571 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.099 -5.530 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A 36 65.837 -2.013 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 36 66.923 -2.447 -0.002 1.00 0.00 H new ATOM 585 N ARG A 37 68.356 -7.660 -0.561 1.00 0.00 N ATOM 586 CA ARG A 37 68.378 -8.970 -1.266 1.00 0.00 C ATOM 587 C ARG A 37 69.178 -9.989 -0.464 1.00 0.00 C ATOM 588 O ARG A 37 69.480 -11.072 -0.925 1.00 0.00 O ATOM 589 CB ARG A 37 68.998 -8.803 -2.652 1.00 0.00 C ATOM 590 CG ARG A 37 67.922 -9.001 -3.723 1.00 0.00 C ATOM 591 CD ARG A 37 68.577 -9.453 -5.029 1.00 0.00 C ATOM 592 NE ARG A 37 68.388 -10.921 -5.198 1.00 0.00 N ATOM 593 CZ ARG A 37 67.662 -11.378 -6.180 1.00 0.00 C ATOM 594 NH1 ARG A 37 67.949 -11.053 -7.412 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.647 -12.161 -5.932 1.00 0.00 N ATOM 0 H ARG A 37 69.062 -6.989 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 37 67.354 -9.329 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.441 -7.812 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.802 -9.526 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.197 -9.744 -3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.376 -8.071 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.138 -8.920 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.640 -9.211 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 37 68.827 -11.570 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.742 -10.441 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.381 -11.411 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.422 -12.415 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 37 66.079 -12.518 -6.700 1.00 0.00 H new ATOM 609 N LEU A 38 69.504 -9.646 0.737 1.00 0.00 N ATOM 610 CA LEU A 38 70.271 -10.573 1.608 1.00 0.00 C ATOM 611 C LEU A 38 69.290 -11.417 2.421 1.00 0.00 C ATOM 612 O LEU A 38 69.574 -12.537 2.795 1.00 0.00 O ATOM 613 CB LEU A 38 71.161 -9.768 2.558 1.00 0.00 C ATOM 614 CG LEU A 38 72.476 -10.518 2.779 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.179 -11.970 3.156 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.302 -10.485 1.491 1.00 0.00 C ATOM 0 H LEU A 38 69.271 -8.750 1.165 1.00 0.00 H new ATOM 0 HA LEU A 38 70.896 -11.221 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.358 -8.781 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.652 -9.616 3.510 1.00 0.00 H new ATOM 0 HG LEU A 38 73.036 -10.042 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.116 -12.504 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.589 -11.995 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 38 71.620 -12.448 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.240 -11.019 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.742 -10.962 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.514 -9.450 1.221 1.00 0.00 H new ATOM 628 N SER A 39 68.134 -10.878 2.698 1.00 0.00 N ATOM 629 CA SER A 39 67.125 -11.633 3.491 1.00 0.00 C ATOM 630 C SER A 39 66.598 -12.809 2.665 1.00 0.00 C ATOM 631 O SER A 39 66.238 -13.841 3.197 1.00 0.00 O ATOM 632 CB SER A 39 65.968 -10.698 3.849 1.00 0.00 C ATOM 633 OG SER A 39 64.852 -11.471 4.273 1.00 0.00 O ATOM 0 H SER A 39 67.845 -9.944 2.408 1.00 0.00 H new ATOM 0 HA SER A 39 67.585 -12.014 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.271 -10.012 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.697 -10.090 2.986 1.00 0.00 H new ATOM 0 HG SER A 39 64.110 -10.874 4.504 1.00 0.00 H new ATOM 639 N GLU A 40 66.548 -12.664 1.369 1.00 0.00 N ATOM 640 CA GLU A 40 66.043 -13.772 0.515 1.00 0.00 C ATOM 641 C GLU A 40 67.203 -14.658 0.084 1.00 0.00 C ATOM 642 O GLU A 40 67.127 -15.387 -0.885 1.00 0.00 O ATOM 643 CB GLU A 40 65.365 -13.192 -0.720 1.00 0.00 C ATOM 644 CG GLU A 40 63.877 -13.547 -0.708 1.00 0.00 C ATOM 645 CD GLU A 40 63.244 -13.143 -2.040 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.671 -13.664 -3.058 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.344 -12.321 -2.021 1.00 0.00 O ATOM 0 H GLU A 40 66.836 -11.825 0.866 1.00 0.00 H new ATOM 0 HA GLU A 40 65.326 -14.365 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.490 -12.109 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.835 -13.584 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.749 -14.617 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.377 -13.035 0.114 1.00 0.00 H new ATOM 654 N HIS A 41 68.270 -14.590 0.804 1.00 0.00 N ATOM 655 CA HIS A 41 69.461 -15.413 0.469 1.00 0.00 C ATOM 656 C HIS A 41 69.357 -16.771 1.166 1.00 0.00 C ATOM 657 O HIS A 41 69.786 -17.781 0.648 1.00 0.00 O ATOM 658 CB HIS A 41 70.727 -14.693 0.939 1.00 0.00 C ATOM 659 CG HIS A 41 71.690 -14.569 -0.211 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.993 -14.971 -0.362 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 71.341 -13.957 -1.404 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 73.449 -14.616 -1.629 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 72.413 -14.008 -2.215 1.00 0.00 N flip ATOM 0 H HIS A 41 68.377 -13.993 1.624 1.00 0.00 H new ATOM 0 HA HIS A 41 69.507 -15.562 -0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.475 -13.705 1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.190 -15.245 1.757 1.00 0.00 H new ATOM 0 HD1 HIS A 41 73.544 -15.456 0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.383 -13.519 -1.640 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.429 -14.794 -2.048 1.00 0.00 H new ATOM 671 N LEU A 42 68.793 -16.799 2.342 1.00 0.00 N ATOM 672 CA LEU A 42 68.661 -18.080 3.079 1.00 0.00 C ATOM 673 C LEU A 42 67.399 -18.813 2.618 1.00 0.00 C ATOM 674 O LEU A 42 67.150 -19.939 3.000 1.00 0.00 O ATOM 675 CB LEU A 42 68.557 -17.788 4.575 1.00 0.00 C ATOM 676 CG LEU A 42 69.958 -17.628 5.166 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.677 -18.978 5.150 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.752 -16.619 4.332 1.00 0.00 C ATOM 0 H LEU A 42 68.417 -15.983 2.824 1.00 0.00 H new ATOM 0 HA LEU A 42 69.533 -18.704 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.977 -16.880 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.030 -18.599 5.078 1.00 0.00 H new ATOM 0 HG LEU A 42 69.879 -17.270 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.676 -18.863 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.113 -19.698 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.755 -19.336 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.751 -16.505 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.830 -16.977 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.241 -15.656 4.343 1.00 0.00 H new ATOM 690 N LYS A 43 66.600 -18.182 1.797 1.00 0.00 N ATOM 691 CA LYS A 43 65.354 -18.842 1.311 1.00 0.00 C ATOM 692 C LYS A 43 65.664 -19.709 0.093 1.00 0.00 C ATOM 693 O LYS A 43 64.790 -20.095 -0.658 1.00 0.00 O ATOM 694 CB LYS A 43 64.331 -17.780 0.929 1.00 0.00 C ATOM 695 CG LYS A 43 63.275 -17.663 2.030 1.00 0.00 C ATOM 696 CD LYS A 43 62.342 -16.491 1.722 1.00 0.00 C ATOM 697 CE LYS A 43 62.816 -15.249 2.480 1.00 0.00 C ATOM 698 NZ LYS A 43 61.749 -14.208 2.443 1.00 0.00 N ATOM 0 H LYS A 43 66.757 -17.239 1.443 1.00 0.00 H new ATOM 0 HA LYS A 43 64.951 -19.470 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.826 -16.820 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.857 -18.041 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.703 -18.588 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.757 -17.513 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 43 62.330 -16.294 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.321 -16.739 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.051 -15.508 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.731 -14.863 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.070 -13.363 2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.545 -13.955 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 60.886 -14.579 2.890 1.00 0.00 H new ATOM 712 N VAL A 44 66.903 -20.010 -0.089 1.00 0.00 N ATOM 713 CA VAL A 44 67.335 -20.848 -1.231 1.00 0.00 C ATOM 714 C VAL A 44 68.729 -21.395 -0.917 1.00 0.00 C ATOM 715 O VAL A 44 69.040 -22.538 -1.187 1.00 0.00 O ATOM 716 CB VAL A 44 67.385 -19.991 -2.494 1.00 0.00 C ATOM 717 CG1 VAL A 44 68.192 -20.708 -3.578 1.00 0.00 C ATOM 718 CG2 VAL A 44 65.961 -19.746 -2.998 1.00 0.00 C ATOM 0 H VAL A 44 67.661 -19.704 0.521 1.00 0.00 H new ATOM 0 HA VAL A 44 66.638 -21.671 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 44 67.862 -19.039 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 44 68.224 -20.091 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 44 69.207 -20.881 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 67.721 -21.663 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.994 -19.134 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.486 -20.701 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.387 -19.228 -2.229 1.00 0.00 H new ATOM 728 N HIS A 45 69.562 -20.578 -0.333 1.00 0.00 N ATOM 729 CA HIS A 45 70.934 -21.022 0.026 1.00 0.00 C ATOM 730 C HIS A 45 70.865 -22.368 0.752 1.00 0.00 C ATOM 731 O HIS A 45 70.735 -22.426 1.959 1.00 0.00 O ATOM 732 CB HIS A 45 71.563 -19.974 0.946 1.00 0.00 C ATOM 733 CG HIS A 45 72.307 -18.962 0.118 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.781 -18.434 -1.050 1.00 0.00 N ATOM 735 CD2 HIS A 45 73.537 -18.374 0.276 1.00 0.00 C ATOM 736 CE1 HIS A 45 72.685 -17.568 -1.546 1.00 0.00 C ATOM 737 NE2 HIS A 45 73.773 -17.494 -0.776 1.00 0.00 N ATOM 0 H HIS A 45 69.346 -19.612 -0.088 1.00 0.00 H new ATOM 0 HA HIS A 45 71.536 -21.135 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 45 70.790 -19.480 1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 45 72.243 -20.454 1.650 1.00 0.00 H new ATOM 0 HD1 HIS A 45 70.875 -18.660 -1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 45 74.218 -18.565 1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.547 -17.002 -2.456 1.00 0.00 H new ATOM 745 N LYS A 46 70.949 -23.449 0.026 1.00 0.00 N ATOM 746 CA LYS A 46 70.888 -24.786 0.671 1.00 0.00 C ATOM 747 C LYS A 46 72.243 -25.117 1.304 1.00 0.00 C ATOM 748 O LYS A 46 72.447 -26.197 1.821 1.00 0.00 O ATOM 749 CB LYS A 46 70.542 -25.844 -0.379 1.00 0.00 C ATOM 750 CG LYS A 46 71.706 -25.990 -1.360 1.00 0.00 C ATOM 751 CD LYS A 46 71.166 -26.030 -2.792 1.00 0.00 C ATOM 752 CE LYS A 46 72.330 -26.188 -3.772 1.00 0.00 C ATOM 753 NZ LYS A 46 72.169 -27.458 -4.534 1.00 0.00 N ATOM 0 H LYS A 46 71.057 -23.461 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 46 70.121 -24.778 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.339 -26.799 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 46 69.636 -25.558 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.399 -25.157 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.264 -26.901 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.466 -26.858 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.615 -25.115 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.359 -25.341 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.276 -26.193 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.960 -27.566 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.161 -28.261 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.273 -27.435 -5.061 1.00 0.00 H new ATOM 767 N LYS A 47 73.169 -24.198 1.267 1.00 0.00 N ATOM 768 CA LYS A 47 74.504 -24.463 1.867 1.00 0.00 C ATOM 769 C LYS A 47 75.340 -23.182 1.841 1.00 0.00 C ATOM 770 O LYS A 47 76.327 -23.088 1.139 1.00 0.00 O ATOM 771 CB LYS A 47 75.217 -25.555 1.068 1.00 0.00 C ATOM 772 CG LYS A 47 75.207 -25.190 -0.416 1.00 0.00 C ATOM 773 CD LYS A 47 76.168 -26.107 -1.175 1.00 0.00 C ATOM 774 CE LYS A 47 75.376 -26.985 -2.145 1.00 0.00 C ATOM 775 NZ LYS A 47 76.182 -28.186 -2.498 1.00 0.00 N ATOM 0 H LYS A 47 73.057 -23.275 0.847 1.00 0.00 H new ATOM 0 HA LYS A 47 74.378 -24.793 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.243 -25.666 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.722 -26.514 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.199 -25.289 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.502 -24.149 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.900 -25.512 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.723 -26.730 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.432 -27.288 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 47 75.130 -26.421 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 75.644 -28.784 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.071 -27.888 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 76.395 -28.727 -1.636 1.00 0.00 H new ATOM 789 N ASP A 48 74.952 -22.198 2.602 1.00 0.00 N ATOM 790 CA ASP A 48 75.722 -20.922 2.623 1.00 0.00 C ATOM 791 C ASP A 48 77.218 -21.229 2.714 1.00 0.00 C ATOM 792 O ASP A 48 78.048 -20.448 2.291 1.00 0.00 O ATOM 793 CB ASP A 48 75.294 -20.096 3.838 1.00 0.00 C ATOM 794 CG ASP A 48 74.190 -19.119 3.427 1.00 0.00 C ATOM 795 OD1 ASP A 48 73.047 -19.542 3.363 1.00 0.00 O ATOM 796 OD2 ASP A 48 74.505 -17.966 3.184 1.00 0.00 O ATOM 0 H ASP A 48 74.134 -22.221 3.211 1.00 0.00 H new ATOM 0 HA ASP A 48 75.525 -20.360 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 48 74.936 -20.753 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.148 -19.549 4.239 1.00 0.00 H new ATOM 801 N HIS A 49 77.570 -22.360 3.261 1.00 0.00 N ATOM 802 CA HIS A 49 79.014 -22.715 3.378 1.00 0.00 C ATOM 803 C HIS A 49 79.678 -21.817 4.423 1.00 0.00 C ATOM 804 O HIS A 49 80.770 -21.322 4.227 1.00 0.00 O ATOM 805 CB HIS A 49 79.701 -22.518 2.025 1.00 0.00 C ATOM 806 CG HIS A 49 81.034 -23.216 2.034 1.00 0.00 C ATOM 807 ND1 HIS A 49 82.227 -22.531 2.197 1.00 0.00 N ATOM 808 CD2 HIS A 49 81.377 -24.540 1.903 1.00 0.00 C ATOM 809 CE1 HIS A 49 83.223 -23.435 2.160 1.00 0.00 C ATOM 810 NE2 HIS A 49 82.760 -24.676 1.984 1.00 0.00 N ATOM 0 H HIS A 49 76.921 -23.054 3.632 1.00 0.00 H new ATOM 0 HA HIS A 49 79.107 -23.757 3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 49 79.075 -22.916 1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 49 79.836 -21.455 1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 49 80.680 -25.352 1.759 1.00 0.00 H new ATOM 0 HE1 HIS A 49 84.269 -23.188 2.260 1.00 0.00 H new ATOM 0 HE2 HIS A 49 83.303 -25.537 1.922 1.00 0.00 H new ATOM 818 N HIS A 50 79.028 -21.604 5.534 1.00 0.00 N ATOM 819 CA HIS A 50 79.622 -20.739 6.592 1.00 0.00 C ATOM 820 C HIS A 50 79.746 -19.314 6.073 1.00 0.00 C ATOM 821 O HIS A 50 80.528 -18.520 6.556 1.00 0.00 O ATOM 822 CB HIS A 50 81.006 -21.262 6.953 1.00 0.00 C ATOM 823 CG HIS A 50 80.955 -21.951 8.289 1.00 0.00 C ATOM 824 ND1 HIS A 50 80.368 -23.196 8.457 1.00 0.00 N ATOM 825 CD2 HIS A 50 81.416 -21.584 9.529 1.00 0.00 C ATOM 826 CE1 HIS A 50 80.490 -23.530 9.755 1.00 0.00 C ATOM 827 NE2 HIS A 50 81.122 -22.582 10.453 1.00 0.00 N ATOM 0 H HIS A 50 78.111 -21.992 5.755 1.00 0.00 H new ATOM 0 HA HIS A 50 78.981 -20.753 7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 50 81.354 -21.956 6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 50 81.720 -20.439 6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 50 81.929 -20.661 9.753 1.00 0.00 H new ATOM 0 HE1 HIS A 50 80.122 -24.452 10.181 1.00 0.00 H new ATOM 0 HE2 HIS A 50 81.342 -22.588 11.449 1.00 0.00 H new ATOM 835 N SER A 51 78.972 -18.996 5.092 1.00 0.00 N ATOM 836 CA SER A 51 79.012 -17.627 4.508 1.00 0.00 C ATOM 837 C SER A 51 78.591 -16.607 5.567 1.00 0.00 C ATOM 838 O SER A 51 79.010 -15.467 5.545 1.00 0.00 O ATOM 839 CB SER A 51 78.056 -17.550 3.317 1.00 0.00 C ATOM 840 OG SER A 51 78.773 -17.826 2.121 1.00 0.00 O ATOM 0 H SER A 51 78.301 -19.629 4.657 1.00 0.00 H new ATOM 0 HA SER A 51 80.026 -17.406 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 51 77.244 -18.266 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 51 77.603 -16.560 3.263 1.00 0.00 H new ATOM 0 HG SER A 51 78.694 -18.778 1.904 1.00 0.00 H new ATOM 846 N HIS A 52 77.762 -17.006 6.492 1.00 0.00 N ATOM 847 CA HIS A 52 77.313 -16.057 7.549 1.00 0.00 C ATOM 848 C HIS A 52 78.532 -15.468 8.261 1.00 0.00 C ATOM 849 O HIS A 52 78.486 -14.376 8.791 1.00 0.00 O ATOM 850 CB HIS A 52 76.438 -16.796 8.562 1.00 0.00 C ATOM 851 CG HIS A 52 75.425 -15.845 9.138 1.00 0.00 C ATOM 852 ND1 HIS A 52 74.113 -15.803 8.693 1.00 0.00 N ATOM 853 CD2 HIS A 52 75.518 -14.892 10.121 1.00 0.00 C ATOM 854 CE1 HIS A 52 73.474 -14.855 9.401 1.00 0.00 C ATOM 855 NE2 HIS A 52 74.284 -14.268 10.287 1.00 0.00 N ATOM 0 H HIS A 52 77.376 -17.948 6.561 1.00 0.00 H new ATOM 0 HA HIS A 52 76.737 -15.253 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 52 75.933 -17.633 8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.056 -17.211 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 52 76.412 -14.661 10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 52 72.433 -14.599 9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 52 74.049 -13.523 10.943 1.00 0.00 H new ATOM 863 N ARG A 53 79.625 -16.181 8.277 1.00 0.00 N ATOM 864 CA ARG A 53 80.845 -15.658 8.955 1.00 0.00 C ATOM 865 C ARG A 53 81.060 -14.195 8.559 1.00 0.00 C ATOM 866 O ARG A 53 81.438 -13.372 9.368 1.00 0.00 O ATOM 867 CB ARG A 53 82.061 -16.485 8.531 1.00 0.00 C ATOM 868 CG ARG A 53 83.106 -16.466 9.649 1.00 0.00 C ATOM 869 CD ARG A 53 84.495 -16.705 9.055 1.00 0.00 C ATOM 870 NE ARG A 53 85.202 -17.747 9.851 1.00 0.00 N ATOM 871 CZ ARG A 53 86.010 -17.394 10.813 1.00 0.00 C ATOM 872 NH1 ARG A 53 87.149 -16.824 10.532 1.00 0.00 N ATOM 873 NH2 ARG A 53 85.679 -17.612 12.056 1.00 0.00 N ATOM 0 H ARG A 53 79.726 -17.102 7.850 1.00 0.00 H new ATOM 0 HA ARG A 53 80.718 -15.728 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.760 -17.511 8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.487 -16.080 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.081 -15.508 10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.878 -17.235 10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 53 84.408 -17.022 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 53 85.068 -15.778 9.058 1.00 0.00 H new ATOM 0 HE ARG A 53 85.055 -18.735 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 53 87.408 -16.654 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 53 87.780 -16.548 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 53 84.789 -18.058 12.276 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.311 -17.336 12.808 1.00 0.00 H new ATOM 887 N GLY A 54 80.821 -13.866 7.318 1.00 0.00 N ATOM 888 CA GLY A 54 81.009 -12.458 6.871 1.00 0.00 C ATOM 889 C GLY A 54 79.693 -11.917 6.312 1.00 0.00 C ATOM 890 O GLY A 54 79.644 -11.389 5.219 1.00 0.00 O ATOM 0 H GLY A 54 80.504 -14.512 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.341 -11.842 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.787 -12.409 6.109 1.00 0.00 H new ATOM 894 N LEU A 55 78.624 -12.040 7.053 1.00 0.00 N ATOM 895 CA LEU A 55 77.320 -11.529 6.557 1.00 0.00 C ATOM 896 C LEU A 55 77.144 -10.078 6.993 1.00 0.00 C ATOM 897 O LEU A 55 76.043 -9.584 7.134 1.00 0.00 O ATOM 898 CB LEU A 55 76.180 -12.383 7.118 1.00 0.00 C ATOM 899 CG LEU A 55 75.119 -12.591 6.037 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.612 -11.231 5.551 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.732 -13.354 4.861 1.00 0.00 C ATOM 0 H LEU A 55 78.600 -12.471 7.977 1.00 0.00 H new ATOM 0 HA LEU A 55 77.301 -11.584 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.564 -13.346 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.739 -11.894 7.987 1.00 0.00 H new ATOM 0 HG LEU A 55 74.288 -13.163 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 55 73.856 -11.379 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.176 -10.685 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 75.443 -10.659 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.976 -13.503 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 76.563 -12.781 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.095 -14.323 5.205 1.00 0.00 H new ATOM 913 N LEU A 56 78.229 -9.396 7.200 1.00 0.00 N ATOM 914 CA LEU A 56 78.168 -7.985 7.618 1.00 0.00 C ATOM 915 C LEU A 56 78.796 -7.115 6.525 1.00 0.00 C ATOM 916 O LEU A 56 78.174 -6.814 5.529 1.00 0.00 O ATOM 917 CB LEU A 56 78.940 -7.829 8.923 1.00 0.00 C ATOM 918 CG LEU A 56 78.235 -8.611 10.031 1.00 0.00 C ATOM 919 CD1 LEU A 56 79.163 -8.733 11.241 1.00 0.00 C ATOM 920 CD2 LEU A 56 76.957 -7.875 10.442 1.00 0.00 C ATOM 0 H LEU A 56 79.172 -9.769 7.093 1.00 0.00 H new ATOM 0 HA LEU A 56 77.134 -7.675 7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 56 79.960 -8.193 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.008 -6.775 9.194 1.00 0.00 H new ATOM 0 HG LEU A 56 77.981 -9.606 9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 56 78.660 -9.291 12.031 1.00 0.00 H new ATOM 0 HD12 LEU A 56 80.073 -9.257 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 56 79.418 -7.738 11.606 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.454 -8.433 11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 56 77.211 -6.880 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 56 76.294 -7.788 9.581 1.00 0.00 H new ATOM 932 N MET A 57 80.031 -6.726 6.694 1.00 0.00 N ATOM 933 CA MET A 57 80.703 -5.894 5.662 1.00 0.00 C ATOM 934 C MET A 57 79.806 -4.713 5.268 1.00 0.00 C ATOM 935 O MET A 57 79.884 -3.648 5.846 1.00 0.00 O ATOM 936 CB MET A 57 80.999 -6.760 4.437 1.00 0.00 C ATOM 937 CG MET A 57 81.692 -5.909 3.376 1.00 0.00 C ATOM 938 SD MET A 57 81.056 -6.345 1.739 1.00 0.00 S ATOM 939 CE MET A 57 81.822 -7.982 1.627 1.00 0.00 C ATOM 0 H MET A 57 80.604 -6.951 7.507 1.00 0.00 H new ATOM 0 HA MET A 57 81.636 -5.499 6.064 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.633 -7.602 4.716 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.074 -7.176 4.039 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.520 -4.851 3.574 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.770 -6.069 3.413 1.00 0.00 H new ATOM 0 HE1 MET A 57 81.724 -8.361 0.610 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.878 -7.908 1.886 1.00 0.00 H new ATOM 0 HE3 MET A 57 81.326 -8.664 2.318 1.00 0.00 H new ATOM 949 N MET A 58 78.960 -4.887 4.288 1.00 0.00 N ATOM 950 CA MET A 58 78.071 -3.767 3.864 1.00 0.00 C ATOM 951 C MET A 58 77.332 -3.206 5.081 1.00 0.00 C ATOM 952 O MET A 58 77.051 -2.026 5.159 1.00 0.00 O ATOM 953 CB MET A 58 77.056 -4.277 2.837 1.00 0.00 C ATOM 954 CG MET A 58 76.380 -5.543 3.367 1.00 0.00 C ATOM 955 SD MET A 58 76.674 -6.909 2.215 1.00 0.00 S ATOM 956 CE MET A 58 75.224 -7.897 2.660 1.00 0.00 C ATOM 0 H MET A 58 78.846 -5.755 3.764 1.00 0.00 H new ATOM 0 HA MET A 58 78.675 -2.979 3.415 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.308 -3.509 2.638 1.00 0.00 H new ATOM 0 HB3 MET A 58 77.555 -4.488 1.891 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.773 -5.793 4.353 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.309 -5.375 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.425 -8.949 2.460 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.005 -7.765 3.719 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.367 -7.573 2.069 1.00 0.00 H new ATOM 966 N VAL A 59 77.011 -4.041 6.032 1.00 0.00 N ATOM 967 CA VAL A 59 76.290 -3.556 7.240 1.00 0.00 C ATOM 968 C VAL A 59 77.185 -2.589 8.018 1.00 0.00 C ATOM 969 O VAL A 59 76.730 -1.598 8.552 1.00 0.00 O ATOM 970 CB VAL A 59 75.931 -4.746 8.131 1.00 0.00 C ATOM 971 CG1 VAL A 59 75.110 -4.261 9.327 1.00 0.00 C ATOM 972 CG2 VAL A 59 75.109 -5.755 7.326 1.00 0.00 C ATOM 0 H VAL A 59 77.218 -5.040 6.023 1.00 0.00 H new ATOM 0 HA VAL A 59 75.379 -3.041 6.935 1.00 0.00 H new ATOM 0 HB VAL A 59 76.845 -5.221 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.855 -5.110 9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.694 -3.542 9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 59 74.196 -3.785 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.853 -6.604 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 59 74.195 -5.279 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.693 -6.102 6.474 1.00 0.00 H new ATOM 982 N GLY A 60 78.459 -2.871 8.086 1.00 0.00 N ATOM 983 CA GLY A 60 79.386 -1.970 8.830 1.00 0.00 C ATOM 984 C GLY A 60 79.566 -0.661 8.059 1.00 0.00 C ATOM 985 O GLY A 60 80.232 0.249 8.512 1.00 0.00 O ATOM 0 H GLY A 60 78.898 -3.687 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 60 78.989 -1.765 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 60 80.351 -2.458 8.966 1.00 0.00 H new ATOM 989 N GLN A 61 78.981 -0.557 6.896 1.00 0.00 N ATOM 990 CA GLN A 61 79.121 0.690 6.100 1.00 0.00 C ATOM 991 C GLN A 61 77.994 1.653 6.450 1.00 0.00 C ATOM 992 O GLN A 61 77.663 2.551 5.702 1.00 0.00 O ATOM 993 CB GLN A 61 79.055 0.353 4.618 1.00 0.00 C ATOM 994 CG GLN A 61 80.396 0.674 3.956 1.00 0.00 C ATOM 995 CD GLN A 61 80.552 -0.164 2.686 1.00 0.00 C ATOM 996 OE1 GLN A 61 79.676 -0.184 1.845 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.641 -0.864 2.510 1.00 0.00 N ATOM 0 H GLN A 61 78.412 -1.285 6.464 1.00 0.00 H new ATOM 0 HA GLN A 61 80.079 1.158 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.816 -0.702 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.257 0.922 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.449 1.735 3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.214 0.464 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.377 -0.848 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.755 -1.427 1.667 1.00 0.00 H new ATOM 1006 N ARG A 62 77.413 1.464 7.586 1.00 0.00 N ATOM 1007 CA ARG A 62 76.300 2.350 8.028 1.00 0.00 C ATOM 1008 C ARG A 62 76.296 2.434 9.551 1.00 0.00 C ATOM 1009 O ARG A 62 76.562 3.468 10.131 1.00 0.00 O ATOM 1010 CB ARG A 62 74.966 1.778 7.543 1.00 0.00 C ATOM 1011 CG ARG A 62 74.488 2.561 6.317 1.00 0.00 C ATOM 1012 CD ARG A 62 73.149 1.997 5.830 1.00 0.00 C ATOM 1013 NE ARG A 62 73.062 0.548 6.170 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.095 0.113 6.931 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.655 0.851 7.913 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.570 -1.061 6.710 1.00 0.00 N ATOM 0 H ARG A 62 77.659 0.724 8.244 1.00 0.00 H new ATOM 0 HA ARG A 62 76.439 3.346 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.081 0.724 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.223 1.837 8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.379 3.616 6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.231 2.498 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.325 2.539 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.056 2.134 4.753 1.00 0.00 H new ATOM 0 HE ARG A 62 73.758 -0.103 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 62 72.067 1.768 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.899 0.511 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.915 -1.638 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.814 -1.402 7.304 1.00 0.00 H new ATOM 1030 N ARG A 63 75.996 1.350 10.198 1.00 0.00 N ATOM 1031 CA ARG A 63 75.970 1.347 11.686 1.00 0.00 C ATOM 1032 C ARG A 63 77.361 1.684 12.226 1.00 0.00 C ATOM 1033 O ARG A 63 77.533 1.957 13.397 1.00 0.00 O ATOM 1034 CB ARG A 63 75.555 -0.039 12.186 1.00 0.00 C ATOM 1035 CG ARG A 63 74.153 0.037 12.795 1.00 0.00 C ATOM 1036 CD ARG A 63 73.635 -1.379 13.058 1.00 0.00 C ATOM 1037 NE ARG A 63 74.675 -2.160 13.786 1.00 0.00 N ATOM 1038 CZ ARG A 63 75.055 -3.322 13.332 1.00 0.00 C ATOM 1039 NH1 ARG A 63 74.206 -4.311 13.277 1.00 0.00 N ATOM 1040 NH2 ARG A 63 76.285 -3.495 12.930 1.00 0.00 N ATOM 0 H ARG A 63 75.766 0.458 9.760 1.00 0.00 H new ATOM 0 HA ARG A 63 75.255 2.092 12.035 1.00 0.00 H new ATOM 0 HB2 ARG A 63 75.567 -0.753 11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.267 -0.397 12.929 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.179 0.605 13.725 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.479 0.563 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 63 72.717 -1.339 13.645 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.390 -1.869 12.116 1.00 0.00 H new ATOM 0 HE ARG A 63 75.090 -1.786 14.639 1.00 0.00 H new ATOM 0 HH11 ARG A 63 73.244 -4.176 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 63 74.504 -5.220 12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 63 76.949 -2.721 12.971 1.00 0.00 H new ATOM 0 HH22 ARG A 63 76.582 -4.404 12.575 1.00 0.00 H new ATOM 1054 N ARG A 64 78.359 1.663 11.384 1.00 0.00 N ATOM 1055 CA ARG A 64 79.732 1.979 11.853 1.00 0.00 C ATOM 1056 C ARG A 64 80.437 2.879 10.835 1.00 0.00 C ATOM 1057 O ARG A 64 81.603 3.190 10.974 1.00 0.00 O ATOM 1058 CB ARG A 64 80.525 0.683 12.026 1.00 0.00 C ATOM 1059 CG ARG A 64 80.260 0.102 13.416 1.00 0.00 C ATOM 1060 CD ARG A 64 81.423 -0.803 13.822 1.00 0.00 C ATOM 1061 NE ARG A 64 80.900 -1.976 14.578 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.718 -2.910 14.981 1.00 0.00 C ATOM 1063 NH1 ARG A 64 82.448 -3.556 14.114 1.00 0.00 N ATOM 1064 NH2 ARG A 64 81.804 -3.199 16.251 1.00 0.00 N ATOM 0 H ARG A 64 78.279 1.440 10.392 1.00 0.00 H new ATOM 0 HA ARG A 64 79.672 2.499 12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.238 -0.036 11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.590 0.877 11.898 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.142 0.907 14.141 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.329 -0.464 13.413 1.00 0.00 H new ATOM 0 HD2 ARG A 64 81.963 -1.139 12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 64 82.132 -0.248 14.436 1.00 0.00 H new ATOM 0 HE ARG A 64 79.903 -2.049 14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 64 82.380 -3.331 13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 64 83.087 -4.286 14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.232 -2.695 16.929 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.443 -3.929 16.566 1.00 0.00 H new ATOM 1078 N LEU A 65 79.744 3.301 9.812 1.00 0.00 N ATOM 1079 CA LEU A 65 80.384 4.180 8.794 1.00 0.00 C ATOM 1080 C LEU A 65 80.826 5.485 9.455 1.00 0.00 C ATOM 1081 O LEU A 65 81.632 6.222 8.925 1.00 0.00 O ATOM 1082 CB LEU A 65 79.382 4.487 7.679 1.00 0.00 C ATOM 1083 CG LEU A 65 80.135 4.919 6.420 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.866 3.715 5.822 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.141 5.470 5.396 1.00 0.00 C ATOM 0 H LEU A 65 78.765 3.075 9.638 1.00 0.00 H new ATOM 0 HA LEU A 65 81.252 3.673 8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.775 3.606 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.700 5.276 7.996 1.00 0.00 H new ATOM 0 HG LEU A 65 80.859 5.692 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.402 4.024 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 81.574 3.321 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 65 80.143 2.941 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.677 5.778 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.417 4.697 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.620 6.328 5.820 1.00 0.00 H new ATOM 1097 N LEU A 66 80.298 5.776 10.612 1.00 0.00 N ATOM 1098 CA LEU A 66 80.678 7.033 11.315 1.00 0.00 C ATOM 1099 C LEU A 66 82.198 7.078 11.513 1.00 0.00 C ATOM 1100 O LEU A 66 82.776 8.125 11.721 1.00 0.00 O ATOM 1101 CB LEU A 66 79.982 7.071 12.680 1.00 0.00 C ATOM 1102 CG LEU A 66 80.375 8.346 13.428 1.00 0.00 C ATOM 1103 CD1 LEU A 66 79.204 9.330 13.411 1.00 0.00 C ATOM 1104 CD2 LEU A 66 80.722 7.995 14.878 1.00 0.00 C ATOM 0 H LEU A 66 79.618 5.195 11.102 1.00 0.00 H new ATOM 0 HA LEU A 66 80.371 7.892 10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 66 78.901 7.035 12.548 1.00 0.00 H new ATOM 0 HB3 LEU A 66 80.261 6.195 13.265 1.00 0.00 H new ATOM 0 HG LEU A 66 81.239 8.801 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 66 79.484 10.238 13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 66 78.952 9.578 12.380 1.00 0.00 H new ATOM 0 HD13 LEU A 66 78.340 8.876 13.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 81.003 8.901 15.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 79.856 7.542 15.360 1.00 0.00 H new ATOM 0 HD23 LEU A 66 81.555 7.292 14.893 1.00 0.00 H new ATOM 1116 N ARG A 67 82.849 5.950 11.458 1.00 0.00 N ATOM 1117 CA ARG A 67 84.321 5.932 11.648 1.00 0.00 C ATOM 1118 C ARG A 67 85.023 5.822 10.292 1.00 0.00 C ATOM 1119 O ARG A 67 86.083 5.240 10.183 1.00 0.00 O ATOM 1120 CB ARG A 67 84.709 4.738 12.522 1.00 0.00 C ATOM 1121 CG ARG A 67 85.310 5.240 13.836 1.00 0.00 C ATOM 1122 CD ARG A 67 86.482 4.343 14.237 1.00 0.00 C ATOM 1123 NE ARG A 67 85.978 3.207 15.060 1.00 0.00 N ATOM 1124 CZ ARG A 67 86.785 2.581 15.873 1.00 0.00 C ATOM 1125 NH1 ARG A 67 87.942 2.155 15.444 1.00 0.00 N ATOM 1126 NH2 ARG A 67 86.435 2.380 17.114 1.00 0.00 N ATOM 0 H ARG A 67 82.422 5.039 11.289 1.00 0.00 H new ATOM 0 HA ARG A 67 84.629 6.857 12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.833 4.121 12.723 1.00 0.00 H new ATOM 0 HB3 ARG A 67 85.428 4.109 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.649 6.270 13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 67 84.552 5.238 14.619 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.987 3.966 13.347 1.00 0.00 H new ATOM 0 HD3 ARG A 67 87.217 4.917 14.801 1.00 0.00 H new ATOM 0 HE ARG A 67 85.002 2.919 14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.215 2.311 14.474 1.00 0.00 H new ATOM 0 HH12 ARG A 67 88.573 1.666 16.079 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.531 2.712 17.449 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.066 1.891 17.749 1.00 0.00 H new ATOM 1140 N TYR A 68 84.446 6.368 9.258 1.00 0.00 N ATOM 1141 CA TYR A 68 85.098 6.276 7.925 1.00 0.00 C ATOM 1142 C TYR A 68 84.662 7.440 7.028 1.00 0.00 C ATOM 1143 O TYR A 68 85.469 8.250 6.614 1.00 0.00 O ATOM 1144 CB TYR A 68 84.711 4.953 7.262 1.00 0.00 C ATOM 1145 CG TYR A 68 85.904 4.392 6.525 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.149 4.770 5.199 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.765 3.494 7.167 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.254 4.251 4.516 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.870 2.974 6.483 1.00 0.00 C ATOM 1150 CZ TYR A 68 88.115 3.352 5.157 1.00 0.00 C ATOM 1151 OH TYR A 68 89.205 2.841 4.484 1.00 0.00 O ATOM 0 H TYR A 68 83.558 6.870 9.279 1.00 0.00 H new ATOM 0 HA TYR A 68 86.179 6.324 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.368 4.243 8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.883 5.109 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.485 5.462 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 68 86.577 3.203 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.443 4.544 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.534 2.281 6.978 1.00 0.00 H new ATOM 0 HH TYR A 68 89.698 2.233 5.074 1.00 0.00 H new ATOM 1161 N LEU A 69 83.401 7.522 6.704 1.00 0.00 N ATOM 1162 CA LEU A 69 82.931 8.620 5.817 1.00 0.00 C ATOM 1163 C LEU A 69 82.742 9.912 6.615 1.00 0.00 C ATOM 1164 O LEU A 69 83.370 10.916 6.343 1.00 0.00 O ATOM 1165 CB LEU A 69 81.602 8.220 5.176 1.00 0.00 C ATOM 1166 CG LEU A 69 81.407 9.002 3.876 1.00 0.00 C ATOM 1167 CD1 LEU A 69 81.716 8.095 2.685 1.00 0.00 C ATOM 1168 CD2 LEU A 69 79.956 9.483 3.786 1.00 0.00 C ATOM 0 H LEU A 69 82.676 6.875 7.016 1.00 0.00 H new ATOM 0 HA LEU A 69 83.680 8.792 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.591 7.149 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.780 8.423 5.862 1.00 0.00 H new ATOM 0 HG LEU A 69 82.078 9.861 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.577 8.652 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 82.748 7.749 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.044 7.237 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.814 10.041 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.286 8.623 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.733 10.128 4.636 1.00 0.00 H new ATOM 1180 N GLN A 70 81.872 9.903 7.586 1.00 0.00 N ATOM 1181 CA GLN A 70 81.638 11.142 8.380 1.00 0.00 C ATOM 1182 C GLN A 70 82.971 11.694 8.890 1.00 0.00 C ATOM 1183 O GLN A 70 83.161 12.889 9.000 1.00 0.00 O ATOM 1184 CB GLN A 70 80.722 10.824 9.569 1.00 0.00 C ATOM 1185 CG GLN A 70 81.523 10.149 10.684 1.00 0.00 C ATOM 1186 CD GLN A 70 82.203 11.215 11.545 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.381 11.124 11.827 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.505 12.229 11.978 1.00 0.00 N ATOM 0 H GLN A 70 81.315 9.095 7.864 1.00 0.00 H new ATOM 0 HA GLN A 70 81.163 11.890 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.266 11.741 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.910 10.172 9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.864 9.536 11.299 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.271 9.482 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.516 12.306 11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.949 12.945 12.553 1.00 0.00 H new ATOM 1197 N ARG A 71 83.888 10.829 9.214 1.00 0.00 N ATOM 1198 CA ARG A 71 85.205 11.290 9.733 1.00 0.00 C ATOM 1199 C ARG A 71 86.042 11.869 8.589 1.00 0.00 C ATOM 1200 O ARG A 71 86.828 12.775 8.782 1.00 0.00 O ATOM 1201 CB ARG A 71 85.949 10.116 10.375 1.00 0.00 C ATOM 1202 CG ARG A 71 86.280 9.072 9.309 1.00 0.00 C ATOM 1203 CD ARG A 71 87.769 9.150 8.962 1.00 0.00 C ATOM 1204 NE ARG A 71 88.154 7.962 8.151 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.366 7.487 8.223 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.920 7.287 9.388 1.00 0.00 N ATOM 1207 NH2 ARG A 71 90.026 7.212 7.132 1.00 0.00 N ATOM 0 H ARG A 71 83.782 9.817 9.142 1.00 0.00 H new ATOM 0 HA ARG A 71 85.041 12.064 10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.865 10.469 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 71 85.336 9.669 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.032 8.075 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.678 9.245 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.976 10.065 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 71 88.364 9.189 9.874 1.00 0.00 H new ATOM 0 HE ARG A 71 87.469 7.519 7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.405 7.502 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 71 90.868 6.915 9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.594 7.369 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 71 90.974 6.840 7.189 1.00 0.00 H new ATOM 1221 N GLU A 72 85.878 11.360 7.398 1.00 0.00 N ATOM 1222 CA GLU A 72 86.660 11.890 6.250 1.00 0.00 C ATOM 1223 C GLU A 72 85.884 13.017 5.583 1.00 0.00 C ATOM 1224 O GLU A 72 86.131 13.389 4.453 1.00 0.00 O ATOM 1225 CB GLU A 72 86.900 10.778 5.242 1.00 0.00 C ATOM 1226 CG GLU A 72 87.924 9.794 5.805 1.00 0.00 C ATOM 1227 CD GLU A 72 88.687 9.135 4.654 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.040 8.639 3.747 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.906 9.138 4.699 1.00 0.00 O ATOM 0 H GLU A 72 85.236 10.600 7.173 1.00 0.00 H new ATOM 0 HA GLU A 72 87.617 12.269 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 85.965 10.262 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.260 11.196 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.619 10.314 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.422 9.034 6.405 1.00 0.00 H new ATOM 1236 N ASP A 73 84.944 13.546 6.288 1.00 0.00 N ATOM 1237 CA ASP A 73 84.109 14.651 5.745 1.00 0.00 C ATOM 1238 C ASP A 73 82.826 14.754 6.574 1.00 0.00 C ATOM 1239 O ASP A 73 81.992 13.872 6.524 1.00 0.00 O ATOM 1240 CB ASP A 73 83.749 14.347 4.289 1.00 0.00 C ATOM 1241 CG ASP A 73 84.497 15.310 3.365 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.641 15.614 3.659 1.00 0.00 O ATOM 1243 OD2 ASP A 73 83.912 15.727 2.378 1.00 0.00 O ATOM 0 H ASP A 73 84.707 13.260 7.238 1.00 0.00 H new ATOM 0 HA ASP A 73 84.659 15.591 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.010 13.317 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.674 14.446 4.141 1.00 0.00 H new ATOM 1248 N PRO A 74 82.699 15.826 7.316 1.00 0.00 N ATOM 1249 CA PRO A 74 81.517 16.056 8.161 1.00 0.00 C ATOM 1250 C PRO A 74 80.335 16.456 7.286 1.00 0.00 C ATOM 1251 O PRO A 74 79.194 16.174 7.591 1.00 0.00 O ATOM 1252 CB PRO A 74 81.948 17.194 9.090 1.00 0.00 C ATOM 1253 CG PRO A 74 83.114 17.917 8.377 1.00 0.00 C ATOM 1254 CD PRO A 74 83.704 16.908 7.374 1.00 0.00 C ATOM 0 HA PRO A 74 81.197 15.177 8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.121 17.879 9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.264 16.807 10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.761 18.812 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 74 83.869 18.238 9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 74 83.857 17.362 6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.672 16.535 7.707 1.00 0.00 H new ATOM 1262 N GLU A 75 80.607 17.087 6.182 1.00 0.00 N ATOM 1263 CA GLU A 75 79.509 17.477 5.264 1.00 0.00 C ATOM 1264 C GLU A 75 79.012 16.213 4.571 1.00 0.00 C ATOM 1265 O GLU A 75 77.905 16.148 4.079 1.00 0.00 O ATOM 1266 CB GLU A 75 80.025 18.474 4.224 1.00 0.00 C ATOM 1267 CG GLU A 75 78.959 18.689 3.149 1.00 0.00 C ATOM 1268 CD GLU A 75 79.046 20.122 2.622 1.00 0.00 C ATOM 1269 OE1 GLU A 75 79.364 21.003 3.404 1.00 0.00 O ATOM 1270 OE2 GLU A 75 78.794 20.315 1.444 1.00 0.00 O ATOM 0 H GLU A 75 81.544 17.349 5.876 1.00 0.00 H new ATOM 0 HA GLU A 75 78.700 17.951 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.269 19.422 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.943 18.100 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.103 17.981 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 75 77.968 18.502 3.562 1.00 0.00 H new ATOM 1277 N ARG A 76 79.830 15.195 4.553 1.00 0.00 N ATOM 1278 CA ARG A 76 79.415 13.921 3.927 1.00 0.00 C ATOM 1279 C ARG A 76 78.548 13.167 4.931 1.00 0.00 C ATOM 1280 O ARG A 76 77.748 12.325 4.575 1.00 0.00 O ATOM 1281 CB ARG A 76 80.651 13.088 3.579 1.00 0.00 C ATOM 1282 CG ARG A 76 81.321 13.663 2.329 1.00 0.00 C ATOM 1283 CD ARG A 76 80.286 13.790 1.209 1.00 0.00 C ATOM 1284 NE ARG A 76 80.987 14.004 -0.088 1.00 0.00 N ATOM 1285 CZ ARG A 76 80.561 14.917 -0.917 1.00 0.00 C ATOM 1286 NH1 ARG A 76 80.987 16.146 -0.811 1.00 0.00 N ATOM 1287 NH2 ARG A 76 79.708 14.602 -1.854 1.00 0.00 N ATOM 0 H ARG A 76 80.770 15.198 4.948 1.00 0.00 H new ATOM 0 HA ARG A 76 78.857 14.111 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.352 13.092 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.366 12.050 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.754 14.638 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.139 13.016 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 76 79.674 12.889 1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 76 79.613 14.623 1.413 1.00 0.00 H new ATOM 0 HE ARG A 76 81.800 13.437 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 76 81.654 16.393 -0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 76 80.653 16.859 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 76 79.374 13.642 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 76 79.375 15.316 -2.502 1.00 0.00 H new ATOM 1301 N TYR A 77 78.697 13.480 6.193 1.00 0.00 N ATOM 1302 CA TYR A 77 77.882 12.805 7.232 1.00 0.00 C ATOM 1303 C TYR A 77 76.580 13.575 7.424 1.00 0.00 C ATOM 1304 O TYR A 77 76.105 13.748 8.530 1.00 0.00 O ATOM 1305 CB TYR A 77 78.630 12.786 8.559 1.00 0.00 C ATOM 1306 CG TYR A 77 77.998 11.757 9.466 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.656 10.495 8.962 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.755 12.066 10.807 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.072 9.542 9.805 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.172 11.113 11.650 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.830 9.850 11.149 1.00 0.00 C ATOM 1312 OH TYR A 77 76.255 8.910 11.980 1.00 0.00 O ATOM 0 H TYR A 77 79.353 14.178 6.544 1.00 0.00 H new ATOM 0 HA TYR A 77 77.681 11.783 6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.681 12.548 8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.595 13.771 9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.843 10.258 7.925 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.017 13.040 11.193 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.808 8.569 9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.986 11.351 12.687 1.00 0.00 H new ATOM 0 HH TYR A 77 76.158 9.285 12.880 1.00 0.00 H new ATOM 1322 N ARG A 78 76.008 14.053 6.363 1.00 0.00 N ATOM 1323 CA ARG A 78 74.749 14.830 6.487 1.00 0.00 C ATOM 1324 C ARG A 78 74.084 14.960 5.116 1.00 0.00 C ATOM 1325 O ARG A 78 73.343 15.888 4.864 1.00 0.00 O ATOM 1326 CB ARG A 78 75.072 16.225 7.035 1.00 0.00 C ATOM 1327 CG ARG A 78 76.260 16.813 6.276 1.00 0.00 C ATOM 1328 CD ARG A 78 75.752 17.707 5.142 1.00 0.00 C ATOM 1329 NE ARG A 78 75.863 19.136 5.549 1.00 0.00 N ATOM 1330 CZ ARG A 78 75.763 20.079 4.652 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.613 20.317 4.081 1.00 0.00 N ATOM 1332 NH2 ARG A 78 76.812 20.784 4.326 1.00 0.00 N ATOM 0 H ARG A 78 76.357 13.940 5.411 1.00 0.00 H new ATOM 0 HA ARG A 78 74.069 14.316 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.204 16.876 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.302 16.164 8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.888 17.390 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.879 16.012 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 78 76.332 17.529 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 78 74.715 17.464 4.909 1.00 0.00 H new ATOM 0 HE ARG A 78 76.017 19.377 6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 78 73.793 19.766 4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 78 74.534 21.054 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 78 77.710 20.598 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.734 21.521 3.625 1.00 0.00 H new ATOM 1346 N ALA A 79 74.337 14.039 4.228 1.00 0.00 N ATOM 1347 CA ALA A 79 73.714 14.123 2.886 1.00 0.00 C ATOM 1348 C ALA A 79 73.142 12.772 2.493 1.00 0.00 C ATOM 1349 O ALA A 79 71.943 12.594 2.399 1.00 0.00 O ATOM 1350 CB ALA A 79 74.758 14.565 1.864 1.00 0.00 C ATOM 0 H ALA A 79 74.947 13.235 4.377 1.00 0.00 H new ATOM 0 HA ALA A 79 72.905 14.853 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.298 14.626 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.149 15.543 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.573 13.842 1.840 1.00 0.00 H new ATOM 1356 N LEU A 80 73.984 11.812 2.277 1.00 0.00 N ATOM 1357 CA LEU A 80 73.480 10.465 1.906 1.00 0.00 C ATOM 1358 C LEU A 80 72.968 9.765 3.162 1.00 0.00 C ATOM 1359 O LEU A 80 72.580 8.614 3.129 1.00 0.00 O ATOM 1360 CB LEU A 80 74.606 9.643 1.278 1.00 0.00 C ATOM 1361 CG LEU A 80 75.829 9.693 2.190 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.123 8.291 2.726 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.035 10.202 1.399 1.00 0.00 C ATOM 0 H LEU A 80 74.998 11.898 2.340 1.00 0.00 H new ATOM 0 HA LEU A 80 72.671 10.563 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 80 74.284 8.611 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.855 10.037 0.293 1.00 0.00 H new ATOM 0 HG LEU A 80 75.633 10.366 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.996 8.326 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.264 7.930 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.319 7.617 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.908 10.238 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.232 9.530 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.825 11.202 1.018 1.00 0.00 H new ATOM 1375 N ILE A 81 72.944 10.456 4.272 1.00 0.00 N ATOM 1376 CA ILE A 81 72.439 9.833 5.515 1.00 0.00 C ATOM 1377 C ILE A 81 70.915 9.950 5.502 1.00 0.00 C ATOM 1378 O ILE A 81 70.204 9.070 5.944 1.00 0.00 O ATOM 1379 CB ILE A 81 73.056 10.533 6.753 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.017 11.399 7.478 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.234 11.415 6.336 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.059 10.490 8.247 1.00 0.00 C ATOM 0 H ILE A 81 73.254 11.424 4.364 1.00 0.00 H new ATOM 0 HA ILE A 81 72.724 8.782 5.571 1.00 0.00 H new ATOM 0 HB ILE A 81 73.401 9.752 7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.513 12.088 8.162 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.465 12.005 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.656 11.899 7.217 1.00 0.00 H new ATOM 0 HG22 ILE A 81 74.998 10.801 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.889 12.175 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.317 11.098 8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.556 9.819 7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.620 9.903 8.975 1.00 0.00 H new ATOM 1394 N GLU A 82 70.418 11.036 4.982 1.00 0.00 N ATOM 1395 CA GLU A 82 68.952 11.230 4.914 1.00 0.00 C ATOM 1396 C GLU A 82 68.435 10.690 3.578 1.00 0.00 C ATOM 1397 O GLU A 82 67.278 10.342 3.446 1.00 0.00 O ATOM 1398 CB GLU A 82 68.626 12.721 5.026 1.00 0.00 C ATOM 1399 CG GLU A 82 68.149 13.035 6.446 1.00 0.00 C ATOM 1400 CD GLU A 82 67.780 14.516 6.546 1.00 0.00 C ATOM 1401 OE1 GLU A 82 68.652 15.339 6.322 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.634 14.800 6.846 1.00 0.00 O ATOM 0 H GLU A 82 70.973 11.802 4.599 1.00 0.00 H new ATOM 0 HA GLU A 82 68.473 10.696 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.508 13.316 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 82 67.855 12.991 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.287 12.417 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.932 12.795 7.165 1.00 0.00 H new ATOM 1409 N LYS A 83 69.283 10.616 2.585 1.00 0.00 N ATOM 1410 CA LYS A 83 68.836 10.099 1.266 1.00 0.00 C ATOM 1411 C LYS A 83 68.901 8.570 1.271 1.00 0.00 C ATOM 1412 O LYS A 83 68.417 7.915 0.369 1.00 0.00 O ATOM 1413 CB LYS A 83 69.749 10.646 0.167 1.00 0.00 C ATOM 1414 CG LYS A 83 69.745 12.175 0.214 1.00 0.00 C ATOM 1415 CD LYS A 83 71.058 12.707 -0.363 1.00 0.00 C ATOM 1416 CE LYS A 83 70.760 13.619 -1.554 1.00 0.00 C ATOM 1417 NZ LYS A 83 72.023 14.264 -2.016 1.00 0.00 N ATOM 0 H LYS A 83 70.264 10.892 2.634 1.00 0.00 H new ATOM 0 HA LYS A 83 67.811 10.419 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.763 10.270 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.408 10.301 -0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.901 12.565 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.622 12.517 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.607 13.257 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 83 71.692 11.878 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 83 70.316 13.042 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.033 14.380 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 71.820 14.884 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 72.428 14.827 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 72.702 13.531 -2.303 1.00 0.00 H new ATOM 1431 N LEU A 84 69.497 7.998 2.281 1.00 0.00 N ATOM 1432 CA LEU A 84 69.600 6.520 2.348 1.00 0.00 C ATOM 1433 C LEU A 84 69.107 6.028 3.709 1.00 0.00 C ATOM 1434 O LEU A 84 68.037 5.465 3.829 1.00 0.00 O ATOM 1435 CB LEU A 84 71.059 6.106 2.156 1.00 0.00 C ATOM 1436 CG LEU A 84 71.565 6.635 0.813 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.094 6.632 0.807 1.00 0.00 C ATOM 1438 CD2 LEU A 84 71.048 5.737 -0.313 1.00 0.00 C ATOM 0 H LEU A 84 69.918 8.497 3.065 1.00 0.00 H new ATOM 0 HA LEU A 84 68.986 6.079 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 84 71.670 6.500 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 84 71.148 5.020 2.188 1.00 0.00 H new ATOM 0 HG LEU A 84 71.204 7.653 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 84 73.455 7.009 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.462 7.270 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 84 73.456 5.615 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 84 71.407 6.112 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 84 71.410 4.720 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 69.958 5.739 -0.308 1.00 0.00 H new ATOM 1450 N GLY A 85 69.885 6.232 4.733 1.00 0.00 N ATOM 1451 CA GLY A 85 69.475 5.776 6.091 1.00 0.00 C ATOM 1452 C GLY A 85 70.723 5.431 6.902 1.00 0.00 C ATOM 1453 O GLY A 85 71.106 4.283 7.014 1.00 0.00 O ATOM 0 H GLY A 85 70.792 6.697 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.904 6.557 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.824 4.905 6.014 1.00 0.00 H new ATOM 1457 N ILE A 86 71.377 6.419 7.448 1.00 0.00 N ATOM 1458 CA ILE A 86 72.598 6.178 8.221 1.00 0.00 C ATOM 1459 C ILE A 86 72.246 5.885 9.683 1.00 0.00 C ATOM 1460 O ILE A 86 72.779 4.979 10.293 1.00 0.00 O ATOM 1461 CB ILE A 86 73.428 7.453 8.099 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.891 7.089 8.009 1.00 0.00 C ATOM 1463 CG2 ILE A 86 73.181 8.386 9.285 1.00 0.00 C ATOM 1464 CD1 ILE A 86 75.413 6.691 9.388 1.00 0.00 C ATOM 0 H ILE A 86 71.100 7.398 7.382 1.00 0.00 H new ATOM 0 HA ILE A 86 73.152 5.315 7.851 1.00 0.00 H new ATOM 0 HB ILE A 86 73.129 7.983 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 86 75.028 6.266 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 86 75.462 7.934 7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 86 73.785 9.286 9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 72.126 8.659 9.320 1.00 0.00 H new ATOM 0 HG23 ILE A 86 73.455 7.879 10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 76.469 6.430 9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 86 75.292 7.526 10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.851 5.833 9.756 1.00 0.00 H new ATOM 1476 N ARG A 87 71.352 6.645 10.244 1.00 0.00 N ATOM 1477 CA ARG A 87 70.957 6.417 11.659 1.00 0.00 C ATOM 1478 C ARG A 87 70.485 4.988 11.831 1.00 0.00 C ATOM 1479 O ARG A 87 70.468 4.435 12.913 1.00 0.00 O ATOM 1480 CB ARG A 87 69.827 7.370 12.016 1.00 0.00 C ATOM 1481 CG ARG A 87 70.221 8.799 11.641 1.00 0.00 C ATOM 1482 CD ARG A 87 70.318 9.653 12.906 1.00 0.00 C ATOM 1483 NE ARG A 87 69.060 9.518 13.695 1.00 0.00 N ATOM 1484 CZ ARG A 87 68.055 10.314 13.460 1.00 0.00 C ATOM 1485 NH1 ARG A 87 68.262 11.588 13.265 1.00 0.00 N ATOM 1486 NH2 ARG A 87 66.840 9.837 13.417 1.00 0.00 N ATOM 0 H ARG A 87 70.875 7.419 9.781 1.00 0.00 H new ATOM 0 HA ARG A 87 71.811 6.594 12.312 1.00 0.00 H new ATOM 0 HB2 ARG A 87 68.917 7.083 11.490 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.611 7.310 13.083 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.177 8.798 11.117 1.00 0.00 H new ATOM 0 HG3 ARG A 87 69.484 9.223 10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.172 9.338 13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 87 70.483 10.697 12.641 1.00 0.00 H new ATOM 0 HE ARG A 87 68.986 8.803 14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.211 11.961 13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 87 67.475 12.210 13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 87 66.677 8.841 13.567 1.00 0.00 H new ATOM 0 HH22 ARG A 87 66.054 10.460 13.233 1.00 0.00 H new ATOM 1500 N GLY A 88 70.105 4.405 10.760 1.00 0.00 N ATOM 1501 CA GLY A 88 69.616 2.997 10.784 1.00 0.00 C ATOM 1502 C GLY A 88 69.055 2.625 9.411 1.00 0.00 C ATOM 1503 O GLY A 88 69.842 2.493 8.488 1.00 0.00 O ATOM 1504 OXT GLY A 88 67.848 2.479 9.305 1.00 0.00 O ATOM 0 H GLY A 88 70.106 4.840 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 88 70.430 2.323 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 88 68.845 2.882 11.546 1.00 0.00 H new