USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 971 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 NoAdj-H: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: A 7 THR OG1 : rot 132:sc= 1.27 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.26 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 2.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 25 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.545 (180deg=-1.04) USER MOD Single : A 31 GLN : amide:sc= -4.69 K(o=-4.7,f=-11!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc=-0.00918 (180deg=-0.249) USER MOD Single : A 40 GLN : amide:sc= -0.63 K(o=-0.63,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -7.92! C(o=-7.9!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.885 K(o=0.88,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot -65:sc= 0.863 USER MOD Single : A 57 SER OG : rot 180:sc= -1.13 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.244 USER MOD Single : A 60 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.93) USER MOD Single : B 198 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.24) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.964 K(o=-0.96,f=-2.4!) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-2.3!) USER MOD Single : B 217 ASN : amide:sc= 0.756 K(o=0.76,f=-1.7) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -25:sc= 0.422 USER MOD Single : B 225 SER OG : rot -15:sc= -0.387 USER MOD Single : B 229 LYS NZ :NH3+ -153:sc= 0.0375 (180deg=-0.332) USER MOD Single : B 230 LYS NZ :NH3+ 145:sc= -0.229 (180deg=-2.21!) USER MOD Single : B 232 SER OG : rot -78:sc= 1.21 USER MOD Single : B 235 SER OG : rot 180:sc= -0.166 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : B 239 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.143) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.628 16.382 10.365 1.00 0.00 N ATOM 2 CA MET A 1 96.794 15.062 11.033 1.00 0.00 C ATOM 3 C MET A 1 98.054 14.386 10.516 1.00 0.00 C ATOM 4 O MET A 1 98.145 14.015 9.342 1.00 0.00 O ATOM 5 CB MET A 1 95.567 14.176 10.768 1.00 0.00 C ATOM 6 CG MET A 1 95.701 12.851 11.512 1.00 0.00 C ATOM 7 SD MET A 1 94.061 12.099 11.713 1.00 0.00 S ATOM 8 CE MET A 1 94.098 11.010 10.266 1.00 0.00 C ATOM 0 H1 MET A 1 95.815 16.881 10.779 1.00 0.00 H new ATOM 0 H2 MET A 1 97.488 16.950 10.501 1.00 0.00 H new ATOM 0 H3 MET A 1 96.465 16.238 9.348 1.00 0.00 H new ATOM 0 HA MET A 1 96.885 15.213 12.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.662 14.691 11.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.467 13.992 9.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.356 12.177 10.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.160 13.014 12.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.165 10.450 10.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.219 11.609 9.363 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.933 10.315 10.355 1.00 0.00 H new ATOM 20 N GLN A 2 99.006 14.216 11.422 1.00 0.00 N ATOM 21 CA GLN A 2 100.264 13.564 11.085 1.00 0.00 C ATOM 22 C GLN A 2 100.106 12.055 11.209 1.00 0.00 C ATOM 23 O GLN A 2 99.788 11.536 12.285 1.00 0.00 O ATOM 24 CB GLN A 2 101.403 14.040 11.996 1.00 0.00 C ATOM 25 CG GLN A 2 102.739 13.439 11.531 1.00 0.00 C ATOM 26 CD GLN A 2 103.858 13.858 12.479 1.00 0.00 C ATOM 27 OE1 GLN A 2 103.862 14.981 12.987 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.806 13.009 12.763 1.00 0.00 N ATOM 0 H GLN A 2 98.932 14.519 12.393 1.00 0.00 H new ATOM 0 HA GLN A 2 100.519 13.828 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.460 15.128 11.981 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.202 13.746 13.026 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.667 12.352 11.499 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.965 13.773 10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.802 12.080 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.552 13.274 13.406 1.00 0.00 H new ATOM 37 N ILE A 3 100.338 11.366 10.103 1.00 0.00 N ATOM 38 CA ILE A 3 100.237 9.913 10.064 1.00 0.00 C ATOM 39 C ILE A 3 101.530 9.340 9.513 1.00 0.00 C ATOM 40 O ILE A 3 102.314 10.059 8.890 1.00 0.00 O ATOM 41 CB ILE A 3 99.037 9.473 9.204 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.182 10.029 7.775 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.744 9.997 9.848 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.135 9.396 6.846 1.00 0.00 C ATOM 0 H ILE A 3 100.599 11.792 9.214 1.00 0.00 H new ATOM 0 HA ILE A 3 100.076 9.536 11.074 1.00 0.00 H new ATOM 0 HB ILE A 3 99.002 8.385 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.061 11.112 7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.184 9.824 7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.888 9.691 9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.646 9.587 10.853 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.779 11.085 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.250 9.799 5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.275 8.315 6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.135 9.624 7.216 1.00 0.00 H new ATOM 56 N PHE A 4 101.748 8.055 9.755 1.00 0.00 N ATOM 57 CA PHE A 4 102.959 7.391 9.288 1.00 0.00 C ATOM 58 C PHE A 4 102.590 6.287 8.308 1.00 0.00 C ATOM 59 O PHE A 4 101.569 5.618 8.479 1.00 0.00 O ATOM 60 CB PHE A 4 103.716 6.771 10.473 1.00 0.00 C ATOM 61 CG PHE A 4 104.084 7.842 11.475 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.223 8.123 12.542 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.278 8.559 11.333 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.556 9.116 13.470 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.612 9.553 12.262 1.00 0.00 C ATOM 66 CZ PHE A 4 104.748 9.834 13.328 1.00 0.00 C ATOM 0 H PHE A 4 101.106 7.453 10.270 1.00 0.00 H new ATOM 0 HA PHE A 4 103.595 8.129 8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.098 6.012 10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.617 6.271 10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.300 7.573 12.649 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.941 8.346 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 4 102.893 9.328 14.296 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.536 10.103 12.156 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.002 10.605 14.040 1.00 0.00 H new ATOM 76 N VAL A 5 103.428 6.095 7.297 1.00 0.00 N ATOM 77 CA VAL A 5 103.202 5.051 6.301 1.00 0.00 C ATOM 78 C VAL A 5 104.433 4.156 6.280 1.00 0.00 C ATOM 79 O VAL A 5 105.565 4.648 6.287 1.00 0.00 O ATOM 80 CB VAL A 5 102.914 5.662 4.911 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.653 4.548 3.890 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.678 6.568 4.992 1.00 0.00 C ATOM 0 H VAL A 5 104.271 6.648 7.144 1.00 0.00 H new ATOM 0 HA VAL A 5 102.324 4.461 6.562 1.00 0.00 H new ATOM 0 HB VAL A 5 103.780 6.245 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.451 4.989 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.529 3.903 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.793 3.958 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.477 6.998 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.818 5.982 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.860 7.369 5.708 1.00 0.00 H new ATOM 92 N LYS A 6 104.200 2.846 6.273 1.00 0.00 N ATOM 93 CA LYS A 6 105.290 1.875 6.269 1.00 0.00 C ATOM 94 C LYS A 6 105.166 0.921 5.090 1.00 0.00 C ATOM 95 O LYS A 6 104.168 0.205 4.958 1.00 0.00 O ATOM 96 CB LYS A 6 105.275 1.076 7.574 1.00 0.00 C ATOM 97 CG LYS A 6 106.531 0.203 7.662 1.00 0.00 C ATOM 98 CD LYS A 6 106.529 -0.567 8.982 1.00 0.00 C ATOM 99 CE LYS A 6 107.783 -1.436 9.056 1.00 0.00 C ATOM 100 NZ LYS A 6 107.804 -2.166 10.354 1.00 0.00 N ATOM 0 H LYS A 6 103.267 2.433 6.270 1.00 0.00 H new ATOM 0 HA LYS A 6 106.231 2.418 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.232 1.754 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.383 0.451 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.562 -0.493 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.424 0.825 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.502 0.127 9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.636 -1.188 9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.797 -2.144 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.674 -0.816 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.657 -2.758 10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.810 -1.482 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 106.960 -2.769 10.427 1.00 0.00 H new ATOM 114 N THR A 7 106.185 0.934 4.238 1.00 0.00 N ATOM 115 CA THR A 7 106.204 0.079 3.056 1.00 0.00 C ATOM 116 C THR A 7 106.641 -1.331 3.442 1.00 0.00 C ATOM 117 O THR A 7 107.155 -1.552 4.542 1.00 0.00 O ATOM 118 CB THR A 7 107.175 0.639 2.007 1.00 0.00 C ATOM 119 OG1 THR A 7 108.496 0.631 2.538 1.00 0.00 O ATOM 120 CG2 THR A 7 106.784 2.074 1.633 1.00 0.00 C ATOM 0 H THR A 7 107.008 1.527 4.343 1.00 0.00 H new ATOM 0 HA THR A 7 105.199 0.049 2.635 1.00 0.00 H new ATOM 0 HB THR A 7 107.131 0.017 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.109 0.235 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.481 2.459 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.774 2.081 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.819 2.704 2.522 1.00 0.00 H new ATOM 128 N LEU A 8 106.418 -2.274 2.533 1.00 0.00 N ATOM 129 CA LEU A 8 106.777 -3.674 2.764 1.00 0.00 C ATOM 130 C LEU A 8 108.293 -3.854 2.859 1.00 0.00 C ATOM 131 O LEU A 8 108.770 -4.828 3.445 1.00 0.00 O ATOM 132 CB LEU A 8 106.234 -4.540 1.623 1.00 0.00 C ATOM 133 CG LEU A 8 104.699 -4.481 1.598 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.193 -5.142 0.320 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.121 -5.220 2.811 1.00 0.00 C ATOM 0 H LEU A 8 105.989 -2.096 1.625 1.00 0.00 H new ATOM 0 HA LEU A 8 106.336 -3.982 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.634 -4.193 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.564 -5.571 1.750 1.00 0.00 H new ATOM 0 HG LEU A 8 104.382 -3.439 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.104 -5.103 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.593 -4.614 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.519 -6.182 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 8 103.032 -5.171 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.438 -6.263 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.481 -4.752 3.727 1.00 0.00 H new ATOM 147 N THR A 9 109.041 -2.912 2.279 1.00 0.00 N ATOM 148 CA THR A 9 110.500 -2.965 2.303 1.00 0.00 C ATOM 149 C THR A 9 111.053 -2.587 3.684 1.00 0.00 C ATOM 150 O THR A 9 112.199 -2.914 4.003 1.00 0.00 O ATOM 151 CB THR A 9 111.053 -2.018 1.239 1.00 0.00 C ATOM 152 OG1 THR A 9 110.448 -0.739 1.385 1.00 0.00 O ATOM 153 CG2 THR A 9 110.747 -2.574 -0.155 1.00 0.00 C ATOM 0 H THR A 9 108.658 -2.104 1.788 1.00 0.00 H new ATOM 0 HA THR A 9 110.814 -3.987 2.091 1.00 0.00 H new ATOM 0 HB THR A 9 112.132 -1.927 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.803 -0.130 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.143 -1.897 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.212 -3.554 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.668 -2.668 -0.280 1.00 0.00 H new ATOM 161 N GLY A 10 110.232 -1.911 4.501 1.00 0.00 N ATOM 162 CA GLY A 10 110.647 -1.508 5.847 1.00 0.00 C ATOM 163 C GLY A 10 110.834 0.007 5.972 1.00 0.00 C ATOM 164 O GLY A 10 110.901 0.529 7.089 1.00 0.00 O ATOM 0 H GLY A 10 109.282 -1.634 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.901 -1.840 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.581 -2.009 6.101 1.00 0.00 H new ATOM 168 N LYS A 11 110.915 0.706 4.836 1.00 0.00 N ATOM 169 CA LYS A 11 111.092 2.157 4.847 1.00 0.00 C ATOM 170 C LYS A 11 109.932 2.814 5.584 1.00 0.00 C ATOM 171 O LYS A 11 108.816 2.288 5.597 1.00 0.00 O ATOM 172 CB LYS A 11 111.177 2.697 3.419 1.00 0.00 C ATOM 173 CG LYS A 11 111.581 4.175 3.456 1.00 0.00 C ATOM 174 CD LYS A 11 111.732 4.694 2.029 1.00 0.00 C ATOM 175 CE LYS A 11 112.160 6.162 2.056 1.00 0.00 C ATOM 176 NZ LYS A 11 112.325 6.656 0.658 1.00 0.00 N ATOM 0 H LYS A 11 110.861 0.293 3.905 1.00 0.00 H new ATOM 0 HA LYS A 11 112.023 2.391 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.905 2.124 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.216 2.584 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.828 4.756 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.518 4.294 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.471 4.100 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.789 4.590 1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.414 6.760 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 11 113.096 6.269 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.616 7.654 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.052 6.091 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.422 6.567 0.150 1.00 0.00 H new ATOM 190 N THR A 12 110.210 3.966 6.198 1.00 0.00 N ATOM 191 CA THR A 12 109.189 4.701 6.946 1.00 0.00 C ATOM 192 C THR A 12 109.130 6.157 6.495 1.00 0.00 C ATOM 193 O THR A 12 110.155 6.837 6.401 1.00 0.00 O ATOM 194 CB THR A 12 109.484 4.635 8.450 1.00 0.00 C ATOM 195 OG1 THR A 12 109.689 3.282 8.829 1.00 0.00 O ATOM 196 CG2 THR A 12 108.295 5.204 9.237 1.00 0.00 C ATOM 0 H THR A 12 111.129 4.408 6.192 1.00 0.00 H new ATOM 0 HA THR A 12 108.223 4.236 6.749 1.00 0.00 H new ATOM 0 HB THR A 12 110.377 5.221 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.879 3.237 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.509 5.155 10.305 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.130 6.242 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.401 4.620 9.019 1.00 0.00 H new ATOM 204 N ILE A 13 107.912 6.618 6.228 1.00 0.00 N ATOM 205 CA ILE A 13 107.675 7.990 5.791 1.00 0.00 C ATOM 206 C ILE A 13 106.529 8.599 6.597 1.00 0.00 C ATOM 207 O ILE A 13 105.473 7.981 6.746 1.00 0.00 O ATOM 208 CB ILE A 13 107.339 8.014 4.277 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.038 9.463 3.816 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.122 7.116 3.994 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.818 9.517 2.297 1.00 0.00 C ATOM 0 H ILE A 13 107.065 6.055 6.308 1.00 0.00 H new ATOM 0 HA ILE A 13 108.576 8.580 5.958 1.00 0.00 H new ATOM 0 HB ILE A 13 108.199 7.638 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.152 9.836 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.866 10.117 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.893 7.139 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.347 6.093 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.263 7.479 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.608 10.543 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.715 9.165 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 13 105.975 8.881 2.029 1.00 0.00 H new ATOM 223 N THR A 14 106.736 9.825 7.074 1.00 0.00 N ATOM 224 CA THR A 14 105.700 10.528 7.821 1.00 0.00 C ATOM 225 C THR A 14 104.972 11.451 6.860 1.00 0.00 C ATOM 226 O THR A 14 105.600 12.253 6.159 1.00 0.00 O ATOM 227 CB THR A 14 106.293 11.338 8.971 1.00 0.00 C ATOM 228 OG1 THR A 14 107.108 10.495 9.773 1.00 0.00 O ATOM 229 CG2 THR A 14 105.165 11.927 9.827 1.00 0.00 C ATOM 0 H THR A 14 107.605 10.347 6.957 1.00 0.00 H new ATOM 0 HA THR A 14 105.014 9.801 8.255 1.00 0.00 H new ATOM 0 HB THR A 14 106.897 12.150 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.542 9.975 10.381 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.593 12.504 10.646 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.543 12.577 9.212 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.556 11.119 10.232 1.00 0.00 H new ATOM 237 N LEU A 15 103.660 11.290 6.794 1.00 0.00 N ATOM 238 CA LEU A 15 102.845 12.067 5.874 1.00 0.00 C ATOM 239 C LEU A 15 101.863 12.951 6.625 1.00 0.00 C ATOM 240 O LEU A 15 101.232 12.518 7.591 1.00 0.00 O ATOM 241 CB LEU A 15 102.095 11.096 4.959 1.00 0.00 C ATOM 242 CG LEU A 15 101.435 11.839 3.795 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.501 12.383 2.832 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.538 10.856 3.043 1.00 0.00 C ATOM 0 H LEU A 15 103.137 10.628 7.367 1.00 0.00 H new ATOM 0 HA LEU A 15 103.487 12.722 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.786 10.347 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.336 10.563 5.532 1.00 0.00 H new ATOM 0 HG LEU A 15 100.853 12.676 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.015 12.908 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.156 13.071 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.090 11.556 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.058 11.367 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.140 10.030 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.775 10.469 3.719 1.00 0.00 H new ATOM 256 N GLU A 16 101.743 14.192 6.160 1.00 0.00 N ATOM 257 CA GLU A 16 100.834 15.158 6.772 1.00 0.00 C ATOM 258 C GLU A 16 99.555 15.273 5.947 1.00 0.00 C ATOM 259 O GLU A 16 99.573 15.787 4.827 1.00 0.00 O ATOM 260 CB GLU A 16 101.501 16.526 6.843 1.00 0.00 C ATOM 261 CG GLU A 16 102.684 16.478 7.817 1.00 0.00 C ATOM 262 CD GLU A 16 103.443 17.812 7.851 1.00 0.00 C ATOM 263 OE1 GLU A 16 104.412 17.882 8.587 1.00 0.00 O ATOM 264 OE2 GLU A 16 103.061 18.739 7.146 1.00 0.00 O ATOM 0 H GLU A 16 102.264 14.553 5.361 1.00 0.00 H new ATOM 0 HA GLU A 16 100.589 14.815 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.845 16.824 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.780 17.276 7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.323 16.239 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.365 15.679 7.524 1.00 0.00 H new ATOM 271 N VAL A 17 98.453 14.787 6.513 1.00 0.00 N ATOM 272 CA VAL A 17 97.154 14.823 5.835 1.00 0.00 C ATOM 273 C VAL A 17 96.062 15.170 6.831 1.00 0.00 C ATOM 274 O VAL A 17 96.326 15.242 8.029 1.00 0.00 O ATOM 275 CB VAL A 17 96.844 13.472 5.167 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.905 13.180 4.107 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.847 12.343 6.209 1.00 0.00 C ATOM 0 H VAL A 17 98.431 14.363 7.440 1.00 0.00 H new ATOM 0 HA VAL A 17 97.193 15.587 5.059 1.00 0.00 H new ATOM 0 HB VAL A 17 95.857 13.525 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.690 12.224 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.896 13.970 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.887 13.138 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.626 11.395 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.827 12.287 6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.090 12.545 6.967 1.00 0.00 H new ATOM 287 N GLU A 18 94.841 15.369 6.334 1.00 0.00 N ATOM 288 CA GLU A 18 93.714 15.696 7.205 1.00 0.00 C ATOM 289 C GLU A 18 92.592 14.655 7.047 1.00 0.00 C ATOM 290 O GLU A 18 92.445 14.080 5.969 1.00 0.00 O ATOM 291 CB GLU A 18 93.168 17.089 6.875 1.00 0.00 C ATOM 292 CG GLU A 18 94.164 18.159 7.329 1.00 0.00 C ATOM 293 CD GLU A 18 95.315 18.250 6.335 1.00 0.00 C ATOM 294 OE1 GLU A 18 95.071 18.672 5.216 1.00 0.00 O ATOM 295 OE2 GLU A 18 96.423 17.897 6.705 1.00 0.00 O ATOM 0 H GLU A 18 94.609 15.310 5.342 1.00 0.00 H new ATOM 0 HA GLU A 18 94.068 15.686 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.991 17.175 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.208 17.240 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 18 93.663 19.124 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 18 94.546 17.915 8.320 1.00 0.00 H new ATOM 302 N PRO A 19 91.795 14.394 8.084 1.00 0.00 N ATOM 303 CA PRO A 19 90.684 13.392 8.001 1.00 0.00 C ATOM 304 C PRO A 19 89.727 13.687 6.844 1.00 0.00 C ATOM 305 O PRO A 19 89.198 12.769 6.211 1.00 0.00 O ATOM 306 CB PRO A 19 89.970 13.520 9.349 1.00 0.00 C ATOM 307 CG PRO A 19 90.989 14.084 10.276 1.00 0.00 C ATOM 308 CD PRO A 19 91.854 15.006 9.432 1.00 0.00 C ATOM 0 HA PRO A 19 91.057 12.386 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 19 89.101 14.173 9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.612 12.552 9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.515 14.631 11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.587 13.292 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.469 16.026 9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.876 15.053 9.807 1.00 0.00 H new ATOM 316 N SER A 20 89.524 14.976 6.585 1.00 0.00 N ATOM 317 CA SER A 20 88.639 15.420 5.501 1.00 0.00 C ATOM 318 C SER A 20 89.249 15.145 4.122 1.00 0.00 C ATOM 319 O SER A 20 88.522 15.084 3.125 1.00 0.00 O ATOM 320 CB SER A 20 88.362 16.916 5.635 1.00 0.00 C ATOM 321 OG SER A 20 89.587 17.631 5.534 1.00 0.00 O ATOM 0 H SER A 20 89.959 15.735 7.109 1.00 0.00 H new ATOM 0 HA SER A 20 87.710 14.856 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.672 17.241 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.883 17.125 6.592 1.00 0.00 H new ATOM 0 HG SER A 20 89.413 18.592 5.618 1.00 0.00 H new ATOM 327 N ASP A 21 90.577 14.985 4.069 1.00 0.00 N ATOM 328 CA ASP A 21 91.262 14.728 2.806 1.00 0.00 C ATOM 329 C ASP A 21 90.910 13.344 2.278 1.00 0.00 C ATOM 330 O ASP A 21 90.806 12.384 3.048 1.00 0.00 O ATOM 331 CB ASP A 21 92.778 14.834 2.996 1.00 0.00 C ATOM 332 CG ASP A 21 93.203 16.277 3.301 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.285 16.443 3.838 1.00 0.00 O ATOM 334 OD2 ASP A 21 92.452 17.195 2.992 1.00 0.00 O ATOM 0 H ASP A 21 91.191 15.029 4.882 1.00 0.00 H new ATOM 0 HA ASP A 21 90.936 15.475 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 93.091 14.181 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.285 14.486 2.096 1.00 0.00 H new ATOM 339 N THR A 22 90.728 13.255 0.961 1.00 0.00 N ATOM 340 CA THR A 22 90.385 11.990 0.324 1.00 0.00 C ATOM 341 C THR A 22 91.647 11.190 0.037 1.00 0.00 C ATOM 342 O THR A 22 92.743 11.750 0.007 1.00 0.00 O ATOM 343 CB THR A 22 89.635 12.259 -0.981 1.00 0.00 C ATOM 344 OG1 THR A 22 90.300 13.285 -1.706 1.00 0.00 O ATOM 345 CG2 THR A 22 88.203 12.701 -0.674 1.00 0.00 C ATOM 0 H THR A 22 90.813 14.043 0.318 1.00 0.00 H new ATOM 0 HA THR A 22 89.748 11.415 0.996 1.00 0.00 H new ATOM 0 HB THR A 22 89.611 11.346 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.821 13.457 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.673 12.891 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.691 11.915 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.224 13.612 -0.076 1.00 0.00 H new ATOM 353 N ILE A 23 91.485 9.879 -0.152 1.00 0.00 N ATOM 354 CA ILE A 23 92.624 9.008 -0.413 1.00 0.00 C ATOM 355 C ILE A 23 93.324 9.453 -1.698 1.00 0.00 C ATOM 356 O ILE A 23 94.555 9.527 -1.739 1.00 0.00 O ATOM 357 CB ILE A 23 92.135 7.544 -0.523 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.579 7.052 0.843 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.269 6.606 -0.993 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.638 7.098 1.972 1.00 0.00 C ATOM 0 H ILE A 23 90.583 9.404 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 23 93.340 9.072 0.406 1.00 0.00 H new ATOM 0 HB ILE A 23 91.338 7.518 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.725 7.668 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.213 6.031 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.893 5.585 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.624 6.927 -1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.092 6.643 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 23 92.194 6.743 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.481 6.460 1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.986 8.123 2.103 1.00 0.00 H new ATOM 372 N GLU A 24 92.538 9.764 -2.731 1.00 0.00 N ATOM 373 CA GLU A 24 93.113 10.224 -4.000 1.00 0.00 C ATOM 374 C GLU A 24 94.044 11.421 -3.776 1.00 0.00 C ATOM 375 O GLU A 24 95.062 11.565 -4.461 1.00 0.00 O ATOM 376 CB GLU A 24 91.998 10.630 -4.964 1.00 0.00 C ATOM 377 CG GLU A 24 91.264 9.382 -5.466 1.00 0.00 C ATOM 378 CD GLU A 24 90.061 9.750 -6.353 1.00 0.00 C ATOM 379 OE1 GLU A 24 89.865 10.926 -6.636 1.00 0.00 O ATOM 380 OE2 GLU A 24 89.343 8.838 -6.735 1.00 0.00 O ATOM 0 H GLU A 24 91.520 9.708 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 24 93.689 9.403 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.297 11.298 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 24 92.416 11.180 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 24 91.955 8.755 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 24 90.922 8.793 -4.615 1.00 0.00 H new ATOM 387 N ASN A 25 93.697 12.254 -2.788 1.00 0.00 N ATOM 388 CA ASN A 25 94.508 13.419 -2.438 1.00 0.00 C ATOM 389 C ASN A 25 95.809 12.976 -1.764 1.00 0.00 C ATOM 390 O ASN A 25 96.871 13.557 -2.003 1.00 0.00 O ATOM 391 CB ASN A 25 93.724 14.343 -1.503 1.00 0.00 C ATOM 392 CG ASN A 25 94.538 15.594 -1.200 1.00 0.00 C ATOM 393 OD1 ASN A 25 95.124 16.183 -2.110 1.00 0.00 O ATOM 394 ND2 ASN A 25 94.611 16.036 0.027 1.00 0.00 N ATOM 0 H ASN A 25 92.859 12.140 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 25 94.752 13.962 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.776 14.620 -1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.488 13.820 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 25 95.155 16.873 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 25 94.124 15.544 0.776 1.00 0.00 H new ATOM 401 N VAL A 26 95.708 11.952 -0.909 1.00 0.00 N ATOM 402 CA VAL A 26 96.870 11.434 -0.179 1.00 0.00 C ATOM 403 C VAL A 26 97.922 10.905 -1.159 1.00 0.00 C ATOM 404 O VAL A 26 99.115 11.169 -0.993 1.00 0.00 O ATOM 405 CB VAL A 26 96.429 10.309 0.786 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.635 9.743 1.555 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.418 10.862 1.797 1.00 0.00 C ATOM 0 H VAL A 26 94.834 11.466 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 26 97.311 12.246 0.400 1.00 0.00 H new ATOM 0 HB VAL A 26 95.976 9.513 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.300 8.953 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.358 9.335 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.103 10.539 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.109 10.067 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.879 11.668 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.546 11.245 1.267 1.00 0.00 H new ATOM 417 N LYS A 27 97.474 10.136 -2.153 1.00 0.00 N ATOM 418 CA LYS A 27 98.403 9.555 -3.127 1.00 0.00 C ATOM 419 C LYS A 27 99.249 10.649 -3.769 1.00 0.00 C ATOM 420 O LYS A 27 100.474 10.529 -3.828 1.00 0.00 O ATOM 421 CB LYS A 27 97.642 8.789 -4.203 1.00 0.00 C ATOM 422 CG LYS A 27 96.998 7.547 -3.582 1.00 0.00 C ATOM 423 CD LYS A 27 96.237 6.773 -4.659 1.00 0.00 C ATOM 424 CE LYS A 27 95.594 5.534 -4.036 1.00 0.00 C ATOM 425 NZ LYS A 27 94.847 4.783 -5.082 1.00 0.00 N ATOM 0 H LYS A 27 96.493 9.903 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 27 99.059 8.861 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.877 9.426 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.319 8.498 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.764 6.912 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.319 7.839 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.472 7.408 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.916 6.480 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.360 4.897 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.919 5.827 -3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.409 3.940 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.106 5.392 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.503 4.491 -5.835 1.00 0.00 H new ATOM 439 N ALA A 28 98.594 11.712 -4.245 1.00 0.00 N ATOM 440 CA ALA A 28 99.305 12.828 -4.882 1.00 0.00 C ATOM 441 C ALA A 28 100.424 13.343 -3.976 1.00 0.00 C ATOM 442 O ALA A 28 101.519 13.659 -4.455 1.00 0.00 O ATOM 443 CB ALA A 28 98.321 13.959 -5.192 1.00 0.00 C ATOM 0 H ALA A 28 97.581 11.825 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 28 99.751 12.472 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.853 14.785 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.547 13.593 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.862 14.306 -4.266 1.00 0.00 H new ATOM 449 N LYS A 29 100.152 13.406 -2.672 1.00 0.00 N ATOM 450 CA LYS A 29 101.159 13.861 -1.713 1.00 0.00 C ATOM 451 C LYS A 29 102.339 12.890 -1.707 1.00 0.00 C ATOM 452 O LYS A 29 103.501 13.307 -1.685 1.00 0.00 O ATOM 453 CB LYS A 29 100.561 13.943 -0.307 1.00 0.00 C ATOM 454 CG LYS A 29 99.540 15.077 -0.240 1.00 0.00 C ATOM 455 CD LYS A 29 98.925 15.121 1.160 1.00 0.00 C ATOM 456 CE LYS A 29 97.914 16.264 1.242 1.00 0.00 C ATOM 457 NZ LYS A 29 97.323 16.309 2.611 1.00 0.00 N ATOM 0 H LYS A 29 99.255 13.151 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 29 101.500 14.853 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 100.084 12.997 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.352 14.110 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 29 100.020 16.028 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.761 14.925 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.436 14.173 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.707 15.260 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.401 17.212 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 97.128 16.123 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.795 17.197 2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.678 15.503 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 98.083 16.259 3.319 1.00 0.00 H new ATOM 471 N ILE A 30 102.021 11.590 -1.741 1.00 0.00 N ATOM 472 CA ILE A 30 103.048 10.559 -1.748 1.00 0.00 C ATOM 473 C ILE A 30 103.886 10.686 -3.014 1.00 0.00 C ATOM 474 O ILE A 30 105.101 10.588 -2.946 1.00 0.00 O ATOM 475 CB ILE A 30 102.400 9.160 -1.670 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.716 9.012 -0.304 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.473 8.056 -1.821 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.814 7.772 -0.295 1.00 0.00 C ATOM 0 H ILE A 30 101.065 11.236 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 30 103.693 10.687 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 30 101.674 9.056 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.468 8.929 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.125 9.902 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.998 7.077 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.971 8.162 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.207 8.151 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.334 7.678 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.051 7.872 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.415 6.884 -0.491 1.00 0.00 H new ATOM 490 N GLN A 31 103.227 10.899 -4.162 1.00 0.00 N ATOM 491 CA GLN A 31 103.933 11.023 -5.445 1.00 0.00 C ATOM 492 C GLN A 31 105.137 11.958 -5.315 1.00 0.00 C ATOM 493 O GLN A 31 106.203 11.690 -5.872 1.00 0.00 O ATOM 494 CB GLN A 31 102.954 11.561 -6.518 1.00 0.00 C ATOM 495 CG GLN A 31 103.675 11.855 -7.853 1.00 0.00 C ATOM 496 CD GLN A 31 104.235 10.570 -8.439 1.00 0.00 C ATOM 497 OE1 GLN A 31 103.474 9.656 -8.752 1.00 0.00 O ATOM 498 NE2 GLN A 31 105.527 10.442 -8.597 1.00 0.00 N ATOM 0 H GLN A 31 102.213 10.988 -4.229 1.00 0.00 H new ATOM 0 HA GLN A 31 104.299 10.040 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.161 10.832 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.478 12.471 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 31 102.980 12.312 -8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.481 12.571 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 31 106.151 11.205 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 31 105.911 9.579 -8.982 1.00 0.00 H new ATOM 507 N ASP A 32 104.942 13.053 -4.597 1.00 0.00 N ATOM 508 CA ASP A 32 106.005 14.037 -4.413 1.00 0.00 C ATOM 509 C ASP A 32 107.151 13.515 -3.536 1.00 0.00 C ATOM 510 O ASP A 32 108.310 13.878 -3.754 1.00 0.00 O ATOM 511 CB ASP A 32 105.431 15.307 -3.793 1.00 0.00 C ATOM 512 CG ASP A 32 106.389 16.469 -4.023 1.00 0.00 C ATOM 513 OD1 ASP A 32 107.510 16.395 -3.543 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.990 17.416 -4.678 1.00 0.00 O ATOM 0 H ASP A 32 104.064 13.285 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 32 106.419 14.247 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.460 15.531 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.271 15.161 -2.725 1.00 0.00 H new ATOM 519 N LYS A 33 106.821 12.695 -2.532 1.00 0.00 N ATOM 520 CA LYS A 33 107.839 12.163 -1.606 1.00 0.00 C ATOM 521 C LYS A 33 108.494 10.855 -2.072 1.00 0.00 C ATOM 522 O LYS A 33 109.691 10.652 -1.846 1.00 0.00 O ATOM 523 CB LYS A 33 107.219 11.930 -0.235 1.00 0.00 C ATOM 524 CG LYS A 33 106.860 13.272 0.402 1.00 0.00 C ATOM 525 CD LYS A 33 106.167 13.035 1.746 1.00 0.00 C ATOM 526 CE LYS A 33 105.737 14.379 2.335 1.00 0.00 C ATOM 527 NZ LYS A 33 106.945 15.163 2.720 1.00 0.00 N ATOM 0 H LYS A 33 105.869 12.385 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 33 108.624 12.918 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.327 11.311 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.917 11.388 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.760 13.870 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 33 106.205 13.837 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.299 12.389 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.843 12.524 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 33 105.147 14.935 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 33 105.101 14.220 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 106.665 15.949 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 107.614 14.545 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.399 15.543 1.865 1.00 0.00 H new ATOM 541 N GLU A 34 107.712 9.968 -2.690 1.00 0.00 N ATOM 542 CA GLU A 34 108.225 8.676 -3.150 1.00 0.00 C ATOM 543 C GLU A 34 108.498 8.661 -4.656 1.00 0.00 C ATOM 544 O GLU A 34 109.252 7.812 -5.136 1.00 0.00 O ATOM 545 CB GLU A 34 107.205 7.585 -2.828 1.00 0.00 C ATOM 546 CG GLU A 34 107.111 7.393 -1.306 1.00 0.00 C ATOM 547 CD GLU A 34 106.042 6.353 -0.928 1.00 0.00 C ATOM 548 OE1 GLU A 34 105.367 5.840 -1.812 1.00 0.00 O ATOM 549 OE2 GLU A 34 105.916 6.079 0.255 1.00 0.00 O ATOM 0 H GLU A 34 106.722 10.120 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 34 109.169 8.498 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.229 7.857 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.497 6.649 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.079 7.076 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 106.875 8.346 -0.833 1.00 0.00 H new ATOM 556 N GLY A 35 107.894 9.600 -5.396 1.00 0.00 N ATOM 557 CA GLY A 35 108.098 9.673 -6.846 1.00 0.00 C ATOM 558 C GLY A 35 107.466 8.486 -7.575 1.00 0.00 C ATOM 559 O GLY A 35 107.880 8.162 -8.692 1.00 0.00 O ATOM 0 H GLY A 35 107.268 10.311 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.670 10.601 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.166 9.703 -7.061 1.00 0.00 H new ATOM 563 N ILE A 36 106.481 7.826 -6.945 1.00 0.00 N ATOM 564 CA ILE A 36 105.833 6.662 -7.567 1.00 0.00 C ATOM 565 C ILE A 36 104.408 7.018 -8.050 1.00 0.00 C ATOM 566 O ILE A 36 103.650 7.637 -7.300 1.00 0.00 O ATOM 567 CB ILE A 36 105.774 5.474 -6.589 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.195 5.136 -6.100 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.184 4.246 -7.311 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.131 4.210 -4.881 1.00 0.00 C ATOM 0 H ILE A 36 106.122 8.073 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 36 106.433 6.372 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 36 105.147 5.739 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.758 4.656 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.726 6.052 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.141 3.404 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.179 4.479 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.814 3.986 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.142 3.979 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.586 4.704 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.619 3.287 -5.152 1.00 0.00 H new ATOM 582 N PRO A 37 104.018 6.640 -9.274 1.00 0.00 N ATOM 583 CA PRO A 37 102.653 6.950 -9.811 1.00 0.00 C ATOM 584 C PRO A 37 101.518 6.497 -8.866 1.00 0.00 C ATOM 585 O PRO A 37 101.597 5.397 -8.313 1.00 0.00 O ATOM 586 CB PRO A 37 102.581 6.183 -11.134 1.00 0.00 C ATOM 587 CG PRO A 37 103.994 5.996 -11.556 1.00 0.00 C ATOM 588 CD PRO A 37 104.815 5.889 -10.280 1.00 0.00 C ATOM 0 HA PRO A 37 102.515 8.025 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 37 102.079 5.224 -11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.018 6.741 -11.882 1.00 0.00 H new ATOM 0 HG2 PRO A 37 104.102 5.097 -12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.331 6.835 -12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.956 4.850 -9.982 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.807 6.322 -10.407 1.00 0.00 H new ATOM 596 N PRO A 38 100.467 7.300 -8.665 1.00 0.00 N ATOM 597 CA PRO A 38 99.324 6.922 -7.763 1.00 0.00 C ATOM 598 C PRO A 38 98.698 5.583 -8.152 1.00 0.00 C ATOM 599 O PRO A 38 98.308 4.791 -7.289 1.00 0.00 O ATOM 600 CB PRO A 38 98.312 8.059 -7.944 1.00 0.00 C ATOM 601 CG PRO A 38 99.100 9.221 -8.444 1.00 0.00 C ATOM 602 CD PRO A 38 100.244 8.642 -9.259 1.00 0.00 C ATOM 0 HA PRO A 38 99.653 6.798 -6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.532 7.780 -8.653 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.817 8.297 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.480 9.877 -9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.477 9.820 -7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.986 8.573 -10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 38 101.137 9.263 -9.189 1.00 0.00 H new ATOM 610 N ASP A 39 98.598 5.351 -9.461 1.00 0.00 N ATOM 611 CA ASP A 39 98.012 4.109 -9.983 1.00 0.00 C ATOM 612 C ASP A 39 98.882 2.892 -9.654 1.00 0.00 C ATOM 613 O ASP A 39 98.410 1.754 -9.730 1.00 0.00 O ATOM 614 CB ASP A 39 97.838 4.206 -11.502 1.00 0.00 C ATOM 615 CG ASP A 39 96.787 5.256 -11.848 1.00 0.00 C ATOM 616 OD1 ASP A 39 97.037 6.038 -12.751 1.00 0.00 O ATOM 617 OD2 ASP A 39 95.745 5.262 -11.212 1.00 0.00 O ATOM 0 H ASP A 39 98.913 6.002 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 39 97.042 3.979 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 98.789 4.466 -11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.540 3.237 -11.903 1.00 0.00 H new ATOM 622 N GLN A 40 100.152 3.129 -9.302 1.00 0.00 N ATOM 623 CA GLN A 40 101.072 2.038 -8.974 1.00 0.00 C ATOM 624 C GLN A 40 101.149 1.796 -7.455 1.00 0.00 C ATOM 625 O GLN A 40 101.892 0.921 -7.006 1.00 0.00 O ATOM 626 CB GLN A 40 102.466 2.379 -9.513 1.00 0.00 C ATOM 627 CG GLN A 40 103.321 1.106 -9.595 1.00 0.00 C ATOM 628 CD GLN A 40 104.669 1.391 -10.254 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.820 2.358 -11.003 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.667 0.591 -10.014 1.00 0.00 N ATOM 0 H GLN A 40 100.562 4.061 -9.238 1.00 0.00 H new ATOM 0 HA GLN A 40 100.699 1.125 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.382 2.835 -10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 40 102.948 3.110 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.480 0.706 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.789 0.343 -10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.542 -0.209 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.575 0.764 -10.446 1.00 0.00 H new ATOM 639 N GLN A 41 100.389 2.573 -6.669 1.00 0.00 N ATOM 640 CA GLN A 41 100.400 2.428 -5.213 1.00 0.00 C ATOM 641 C GLN A 41 99.015 2.114 -4.666 1.00 0.00 C ATOM 642 O GLN A 41 98.037 2.794 -4.981 1.00 0.00 O ATOM 643 CB GLN A 41 100.915 3.712 -4.563 1.00 0.00 C ATOM 644 CG GLN A 41 102.438 3.812 -4.748 1.00 0.00 C ATOM 645 CD GLN A 41 103.159 2.727 -3.933 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.550 2.031 -3.123 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.438 2.550 -4.093 1.00 0.00 N ATOM 0 H GLN A 41 99.765 3.301 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 41 101.060 1.595 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.427 4.578 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.667 3.719 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 41 102.688 3.707 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.783 4.798 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.952 3.122 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.926 1.839 -3.549 1.00 0.00 H new ATOM 656 N ARG A 42 98.962 1.084 -3.825 1.00 0.00 N ATOM 657 CA ARG A 42 97.718 0.667 -3.193 1.00 0.00 C ATOM 658 C ARG A 42 97.903 0.647 -1.683 1.00 0.00 C ATOM 659 O ARG A 42 98.853 0.041 -1.179 1.00 0.00 O ATOM 660 CB ARG A 42 97.329 -0.725 -3.677 1.00 0.00 C ATOM 661 CG ARG A 42 96.962 -0.673 -5.161 1.00 0.00 C ATOM 662 CD ARG A 42 96.701 -2.097 -5.667 1.00 0.00 C ATOM 663 NE ARG A 42 95.552 -2.685 -4.965 1.00 0.00 N ATOM 664 CZ ARG A 42 95.233 -3.988 -5.054 1.00 0.00 C ATOM 665 NH1 ARG A 42 95.939 -4.824 -5.777 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.197 -4.429 -4.396 1.00 0.00 N ATOM 0 H ARG A 42 99.772 0.521 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 42 96.927 1.369 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.155 -1.418 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.485 -1.099 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.077 -0.054 -5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.769 -0.214 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.510 -2.080 -6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 42 97.586 -2.714 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 42 94.972 -2.079 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.755 -4.491 -6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 42 95.672 -5.807 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 42 93.644 -3.789 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 42 93.939 -5.414 -4.451 1.00 0.00 H new ATOM 680 N LEU A 43 97.009 1.332 -0.969 1.00 0.00 N ATOM 681 CA LEU A 43 97.097 1.414 0.484 1.00 0.00 C ATOM 682 C LEU A 43 96.104 0.477 1.156 1.00 0.00 C ATOM 683 O LEU A 43 94.957 0.354 0.720 1.00 0.00 O ATOM 684 CB LEU A 43 96.809 2.851 0.928 1.00 0.00 C ATOM 685 CG LEU A 43 98.008 3.754 0.604 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.576 5.221 0.664 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.124 3.517 1.629 1.00 0.00 C ATOM 0 H LEU A 43 96.220 1.835 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 43 98.103 1.117 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 95.917 3.223 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.605 2.875 1.998 1.00 0.00 H new ATOM 0 HG LEU A 43 98.373 3.519 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.428 5.861 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.783 5.397 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.209 5.452 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 99.974 4.159 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.756 3.750 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.437 2.474 1.592 1.00 0.00 H new ATOM 699 N ILE A 44 96.554 -0.159 2.238 1.00 0.00 N ATOM 700 CA ILE A 44 95.704 -1.062 3.008 1.00 0.00 C ATOM 701 C ILE A 44 95.774 -0.685 4.485 1.00 0.00 C ATOM 702 O ILE A 44 96.830 -0.307 4.997 1.00 0.00 O ATOM 703 CB ILE A 44 96.107 -2.535 2.799 1.00 0.00 C ATOM 704 CG1 ILE A 44 95.907 -2.890 1.313 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.227 -3.456 3.680 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.397 -4.312 1.020 1.00 0.00 C ATOM 0 H ILE A 44 97.503 -0.064 2.600 1.00 0.00 H new ATOM 0 HA ILE A 44 94.678 -0.958 2.656 1.00 0.00 H new ATOM 0 HB ILE A 44 97.150 -2.677 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 44 94.852 -2.804 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.448 -2.179 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.519 -4.495 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.362 -3.193 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.180 -3.329 3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.245 -4.539 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.458 -4.388 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.837 -5.022 1.628 1.00 0.00 H new ATOM 718 N PHE A 45 94.630 -0.794 5.142 1.00 0.00 N ATOM 719 CA PHE A 45 94.512 -0.476 6.558 1.00 0.00 C ATOM 720 C PHE A 45 93.716 -1.570 7.278 1.00 0.00 C ATOM 721 O PHE A 45 92.697 -2.050 6.778 1.00 0.00 O ATOM 722 CB PHE A 45 93.837 0.891 6.724 1.00 0.00 C ATOM 723 CG PHE A 45 93.743 1.255 8.194 1.00 0.00 C ATOM 724 CD1 PHE A 45 94.906 1.549 8.919 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.496 1.289 8.828 1.00 0.00 C ATOM 726 CE1 PHE A 45 94.818 1.882 10.275 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.409 1.621 10.184 1.00 0.00 C ATOM 728 CZ PHE A 45 93.569 1.916 10.908 1.00 0.00 C ATOM 0 H PHE A 45 93.759 -1.104 4.711 1.00 0.00 H new ATOM 0 HA PHE A 45 95.505 -0.430 7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.405 1.652 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 45 92.840 0.868 6.283 1.00 0.00 H new ATOM 0 HD1 PHE A 45 95.869 1.519 8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.600 1.059 8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.713 2.113 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.446 1.650 10.672 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.501 2.170 11.956 1.00 0.00 H new ATOM 738 N ALA A 46 94.210 -1.947 8.451 1.00 0.00 N ATOM 739 CA ALA A 46 93.575 -2.985 9.265 1.00 0.00 C ATOM 740 C ALA A 46 93.274 -4.257 8.451 1.00 0.00 C ATOM 741 O ALA A 46 92.445 -5.075 8.863 1.00 0.00 O ATOM 742 CB ALA A 46 92.275 -2.438 9.862 1.00 0.00 C ATOM 0 H ALA A 46 95.053 -1.549 8.865 1.00 0.00 H new ATOM 0 HA ALA A 46 94.271 -3.259 10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.800 -3.209 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.497 -1.572 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.601 -2.143 9.058 1.00 0.00 H new ATOM 748 N GLY A 47 93.957 -4.423 7.307 1.00 0.00 N ATOM 749 CA GLY A 47 93.769 -5.603 6.459 1.00 0.00 C ATOM 750 C GLY A 47 92.878 -5.326 5.240 1.00 0.00 C ATOM 751 O GLY A 47 92.953 -6.050 4.243 1.00 0.00 O ATOM 0 H GLY A 47 94.641 -3.755 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.742 -5.958 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.327 -6.404 7.052 1.00 0.00 H new ATOM 755 N LYS A 48 92.039 -4.288 5.321 1.00 0.00 N ATOM 756 CA LYS A 48 91.143 -3.946 4.207 1.00 0.00 C ATOM 757 C LYS A 48 91.729 -2.806 3.382 1.00 0.00 C ATOM 758 O LYS A 48 92.447 -1.964 3.913 1.00 0.00 O ATOM 759 CB LYS A 48 89.750 -3.552 4.731 1.00 0.00 C ATOM 760 CG LYS A 48 89.855 -2.359 5.691 1.00 0.00 C ATOM 761 CD LYS A 48 88.464 -1.982 6.201 1.00 0.00 C ATOM 762 CE LYS A 48 88.587 -0.799 7.163 1.00 0.00 C ATOM 763 NZ LYS A 48 87.234 -0.414 7.651 1.00 0.00 N ATOM 0 H LYS A 48 91.960 -3.676 6.134 1.00 0.00 H new ATOM 0 HA LYS A 48 91.041 -4.826 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.099 -3.297 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.294 -4.400 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.504 -2.611 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.308 -1.509 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.815 -1.721 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.006 -2.832 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.227 -1.066 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.058 0.045 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.317 0.390 8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.638 -0.143 6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 86.801 -1.220 8.146 1.00 0.00 H new ATOM 777 N GLN A 49 91.413 -2.782 2.086 1.00 0.00 N ATOM 778 CA GLN A 49 91.916 -1.736 1.202 1.00 0.00 C ATOM 779 C GLN A 49 91.143 -0.441 1.407 1.00 0.00 C ATOM 780 O GLN A 49 89.974 -0.460 1.807 1.00 0.00 O ATOM 781 CB GLN A 49 91.780 -2.179 -0.254 1.00 0.00 C ATOM 782 CG GLN A 49 92.597 -1.248 -1.158 1.00 0.00 C ATOM 783 CD GLN A 49 92.575 -1.743 -2.608 1.00 0.00 C ATOM 784 OE1 GLN A 49 92.331 -2.921 -2.872 1.00 0.00 O ATOM 785 NE2 GLN A 49 92.814 -0.900 -3.571 1.00 0.00 N ATOM 0 H GLN A 49 90.815 -3.471 1.630 1.00 0.00 H new ATOM 0 HA GLN A 49 92.966 -1.562 1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.127 -3.206 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.732 -2.163 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.192 -0.237 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.626 -1.198 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.016 0.076 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 49 92.799 -1.216 -4.541 1.00 0.00 H new ATOM 794 N LEU A 50 91.809 0.679 1.125 1.00 0.00 N ATOM 795 CA LEU A 50 91.193 1.992 1.270 1.00 0.00 C ATOM 796 C LEU A 50 90.663 2.478 -0.076 1.00 0.00 C ATOM 797 O LEU A 50 91.419 2.626 -1.040 1.00 0.00 O ATOM 798 CB LEU A 50 92.222 2.987 1.814 1.00 0.00 C ATOM 799 CG LEU A 50 92.632 2.588 3.239 1.00 0.00 C ATOM 800 CD1 LEU A 50 93.878 3.376 3.647 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.493 2.902 4.220 1.00 0.00 C ATOM 0 H LEU A 50 92.774 0.700 0.795 1.00 0.00 H new ATOM 0 HA LEU A 50 90.360 1.917 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.098 3.008 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.803 3.993 1.815 1.00 0.00 H new ATOM 0 HG LEU A 50 92.844 1.519 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.171 3.095 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.692 3.152 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.660 4.443 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.792 2.616 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.275 3.970 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.602 2.343 3.934 1.00 0.00 H new ATOM 813 N GLU A 51 89.353 2.708 -0.122 1.00 0.00 N ATOM 814 CA GLU A 51 88.692 3.162 -1.342 1.00 0.00 C ATOM 815 C GLU A 51 89.157 4.567 -1.705 1.00 0.00 C ATOM 816 O GLU A 51 89.111 5.480 -0.878 1.00 0.00 O ATOM 817 CB GLU A 51 87.174 3.147 -1.146 1.00 0.00 C ATOM 818 CG GLU A 51 86.474 3.380 -2.494 1.00 0.00 C ATOM 819 CD GLU A 51 84.953 3.255 -2.357 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.497 2.564 -1.456 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.262 3.862 -3.157 1.00 0.00 O ATOM 0 H GLU A 51 88.727 2.587 0.674 1.00 0.00 H new ATOM 0 HA GLU A 51 88.955 2.487 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 86.862 2.192 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.882 3.920 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.728 4.370 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.837 2.657 -3.225 1.00 0.00 H new ATOM 828 N ASP A 52 89.624 4.714 -2.942 1.00 0.00 N ATOM 829 CA ASP A 52 90.130 5.997 -3.426 1.00 0.00 C ATOM 830 C ASP A 52 89.047 7.080 -3.364 1.00 0.00 C ATOM 831 O ASP A 52 89.343 8.249 -3.084 1.00 0.00 O ATOM 832 CB ASP A 52 90.629 5.850 -4.867 1.00 0.00 C ATOM 833 CG ASP A 52 89.484 5.434 -5.786 1.00 0.00 C ATOM 834 OD1 ASP A 52 88.742 4.539 -5.418 1.00 0.00 O ATOM 835 OD2 ASP A 52 89.369 6.019 -6.850 1.00 0.00 O ATOM 0 H ASP A 52 89.663 3.961 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 52 90.955 6.300 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 52 91.054 6.793 -5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.426 5.107 -4.909 1.00 0.00 H new ATOM 840 N GLY A 53 87.800 6.681 -3.637 1.00 0.00 N ATOM 841 CA GLY A 53 86.667 7.614 -3.628 1.00 0.00 C ATOM 842 C GLY A 53 86.111 7.862 -2.218 1.00 0.00 C ATOM 843 O GLY A 53 85.031 8.441 -2.075 1.00 0.00 O ATOM 0 H GLY A 53 87.549 5.719 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.981 8.563 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.873 7.220 -4.263 1.00 0.00 H new ATOM 847 N ARG A 54 86.849 7.436 -1.188 1.00 0.00 N ATOM 848 CA ARG A 54 86.418 7.630 0.199 1.00 0.00 C ATOM 849 C ARG A 54 87.397 8.528 0.946 1.00 0.00 C ATOM 850 O ARG A 54 88.503 8.788 0.465 1.00 0.00 O ATOM 851 CB ARG A 54 86.286 6.285 0.922 1.00 0.00 C ATOM 852 CG ARG A 54 85.035 5.559 0.424 1.00 0.00 C ATOM 853 CD ARG A 54 84.810 4.296 1.255 1.00 0.00 C ATOM 854 NE ARG A 54 83.600 3.603 0.797 1.00 0.00 N ATOM 855 CZ ARG A 54 82.990 2.646 1.519 1.00 0.00 C ATOM 856 NH1 ARG A 54 83.448 2.274 2.694 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.919 2.077 1.041 1.00 0.00 N ATOM 0 H ARG A 54 87.744 6.957 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 54 85.441 8.113 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.170 5.674 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.223 6.443 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.168 6.215 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.148 5.299 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.672 3.635 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.713 4.557 2.309 1.00 0.00 H new ATOM 0 HE ARG A 54 83.205 3.858 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.284 2.714 3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 54 82.967 1.546 3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.555 2.359 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 54 81.445 1.350 1.577 1.00 0.00 H new ATOM 871 N THR A 55 86.973 8.997 2.121 1.00 0.00 N ATOM 872 CA THR A 55 87.805 9.872 2.945 1.00 0.00 C ATOM 873 C THR A 55 88.338 9.129 4.163 1.00 0.00 C ATOM 874 O THR A 55 87.816 8.079 4.545 1.00 0.00 O ATOM 875 CB THR A 55 87.003 11.095 3.395 1.00 0.00 C ATOM 876 OG1 THR A 55 85.822 10.672 4.056 1.00 0.00 O ATOM 877 CG2 THR A 55 86.643 11.951 2.182 1.00 0.00 C ATOM 0 H THR A 55 86.059 8.785 2.522 1.00 0.00 H new ATOM 0 HA THR A 55 88.652 10.199 2.341 1.00 0.00 H new ATOM 0 HB THR A 55 87.605 11.689 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.243 10.200 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.072 12.821 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.556 12.281 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.044 11.363 1.487 1.00 0.00 H new ATOM 885 N LEU A 56 89.399 9.684 4.747 1.00 0.00 N ATOM 886 CA LEU A 56 90.048 9.081 5.905 1.00 0.00 C ATOM 887 C LEU A 56 89.088 8.983 7.091 1.00 0.00 C ATOM 888 O LEU A 56 89.065 7.966 7.791 1.00 0.00 O ATOM 889 CB LEU A 56 91.270 9.918 6.302 1.00 0.00 C ATOM 890 CG LEU A 56 92.336 9.863 5.196 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.423 10.896 5.486 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.976 8.470 5.137 1.00 0.00 C ATOM 0 H LEU A 56 89.828 10.555 4.433 1.00 0.00 H new ATOM 0 HA LEU A 56 90.359 8.072 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.970 10.951 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.687 9.545 7.237 1.00 0.00 H new ATOM 0 HG LEU A 56 91.858 10.078 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.180 10.858 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.980 11.892 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.886 10.677 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.728 8.448 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.447 8.245 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.208 7.725 4.926 1.00 0.00 H new ATOM 904 N SER A 57 88.300 10.040 7.306 1.00 0.00 N ATOM 905 CA SER A 57 87.330 10.063 8.407 1.00 0.00 C ATOM 906 C SER A 57 86.323 8.920 8.269 1.00 0.00 C ATOM 907 O SER A 57 85.886 8.342 9.267 1.00 0.00 O ATOM 908 CB SER A 57 86.586 11.397 8.433 1.00 0.00 C ATOM 909 OG SER A 57 87.526 12.460 8.420 1.00 0.00 O ATOM 0 H SER A 57 88.313 10.886 6.737 1.00 0.00 H new ATOM 0 HA SER A 57 87.879 9.938 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.922 11.473 7.572 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.961 11.460 9.324 1.00 0.00 H new ATOM 0 HG SER A 57 87.051 13.317 8.435 1.00 0.00 H new ATOM 915 N ASP A 58 85.963 8.608 7.022 1.00 0.00 N ATOM 916 CA ASP A 58 85.008 7.532 6.743 1.00 0.00 C ATOM 917 C ASP A 58 85.565 6.160 7.145 1.00 0.00 C ATOM 918 O ASP A 58 84.805 5.198 7.271 1.00 0.00 O ATOM 919 CB ASP A 58 84.655 7.522 5.252 1.00 0.00 C ATOM 920 CG ASP A 58 83.746 8.706 4.896 1.00 0.00 C ATOM 921 OD1 ASP A 58 82.982 9.136 5.749 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.825 9.160 3.768 1.00 0.00 O ATOM 0 H ASP A 58 86.317 9.083 6.192 1.00 0.00 H new ATOM 0 HA ASP A 58 84.114 7.722 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.568 7.568 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.156 6.587 4.999 1.00 0.00 H new ATOM 927 N TYR A 59 86.887 6.074 7.343 1.00 0.00 N ATOM 928 CA TYR A 59 87.524 4.811 7.729 1.00 0.00 C ATOM 929 C TYR A 59 87.894 4.780 9.216 1.00 0.00 C ATOM 930 O TYR A 59 88.571 3.846 9.656 1.00 0.00 O ATOM 931 CB TYR A 59 88.788 4.586 6.891 1.00 0.00 C ATOM 932 CG TYR A 59 88.422 3.987 5.550 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.342 4.799 4.410 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.157 2.616 5.452 1.00 0.00 C ATOM 935 CE1 TYR A 59 87.998 4.236 3.175 1.00 0.00 C ATOM 936 CE2 TYR A 59 87.813 2.054 4.220 1.00 0.00 C ATOM 937 CZ TYR A 59 87.733 2.863 3.081 1.00 0.00 C ATOM 938 OH TYR A 59 87.395 2.304 1.866 1.00 0.00 O ATOM 0 H TYR A 59 87.531 6.859 7.243 1.00 0.00 H new ATOM 0 HA TYR A 59 86.801 4.016 7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.311 5.531 6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.472 3.922 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.545 5.857 4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.219 1.991 6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 59 87.937 4.859 2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 59 87.609 0.996 4.147 1.00 0.00 H new ATOM 0 HH TYR A 59 87.245 1.342 1.979 1.00 0.00 H new ATOM 948 N ASN A 60 87.454 5.781 9.992 1.00 0.00 N ATOM 949 CA ASN A 60 87.752 5.827 11.423 1.00 0.00 C ATOM 950 C ASN A 60 89.268 5.785 11.661 1.00 0.00 C ATOM 951 O ASN A 60 89.772 4.984 12.459 1.00 0.00 O ATOM 952 CB ASN A 60 87.057 4.658 12.132 1.00 0.00 C ATOM 953 CG ASN A 60 86.990 4.918 13.632 1.00 0.00 C ATOM 954 OD1 ASN A 60 87.938 5.439 14.216 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.916 4.583 14.292 1.00 0.00 N ATOM 0 H ASN A 60 86.894 6.563 9.652 1.00 0.00 H new ATOM 0 HA ASN A 60 87.375 6.763 11.835 1.00 0.00 H new ATOM 0 HB2 ASN A 60 86.051 4.527 11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.599 3.732 11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 60 85.861 4.753 15.296 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.131 4.151 13.804 1.00 0.00 H new ATOM 962 N ILE A 61 89.986 6.669 10.966 1.00 0.00 N ATOM 963 CA ILE A 61 91.441 6.749 11.105 1.00 0.00 C ATOM 964 C ILE A 61 91.784 7.919 12.023 1.00 0.00 C ATOM 965 O ILE A 61 91.507 9.075 11.693 1.00 0.00 O ATOM 966 CB ILE A 61 92.108 6.945 9.725 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.717 5.783 8.792 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.640 6.971 9.884 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.063 6.136 7.341 1.00 0.00 C ATOM 0 H ILE A 61 89.587 7.336 10.305 1.00 0.00 H new ATOM 0 HA ILE A 61 91.815 5.819 11.533 1.00 0.00 H new ATOM 0 HB ILE A 61 91.770 7.889 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.242 4.875 9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.650 5.578 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.105 7.109 8.908 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.924 7.793 10.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 93.977 6.029 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.783 5.309 6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.518 7.032 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.134 6.318 7.256 1.00 0.00 H new ATOM 981 N GLN A 62 92.370 7.606 13.177 1.00 0.00 N ATOM 982 CA GLN A 62 92.732 8.627 14.151 1.00 0.00 C ATOM 983 C GLN A 62 94.110 9.216 13.852 1.00 0.00 C ATOM 984 O GLN A 62 94.768 8.832 12.881 1.00 0.00 O ATOM 985 CB GLN A 62 92.716 8.023 15.557 1.00 0.00 C ATOM 986 CG GLN A 62 91.279 7.645 15.942 1.00 0.00 C ATOM 987 CD GLN A 62 91.234 6.951 17.312 1.00 0.00 C ATOM 988 OE1 GLN A 62 92.238 6.879 18.026 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.114 6.426 17.724 1.00 0.00 N ATOM 0 H GLN A 62 92.603 6.654 13.458 1.00 0.00 H new ATOM 0 HA GLN A 62 92.002 9.434 14.089 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.356 7.141 15.592 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.119 8.738 16.275 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.658 8.541 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.858 6.985 15.183 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.280 6.481 17.140 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.072 5.960 18.630 1.00 0.00 H new ATOM 998 N LYS A 63 94.529 10.158 14.701 1.00 0.00 N ATOM 999 CA LYS A 63 95.814 10.826 14.550 1.00 0.00 C ATOM 1000 C LYS A 63 96.965 9.852 14.765 1.00 0.00 C ATOM 1001 O LYS A 63 96.890 8.959 15.615 1.00 0.00 O ATOM 1002 CB LYS A 63 95.914 11.967 15.562 1.00 0.00 C ATOM 1003 CG LYS A 63 94.902 13.057 15.208 1.00 0.00 C ATOM 1004 CD LYS A 63 94.967 14.172 16.249 1.00 0.00 C ATOM 1005 CE LYS A 63 93.980 15.269 15.866 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.041 16.369 16.871 1.00 0.00 N ATOM 0 H LYS A 63 93.988 10.474 15.506 1.00 0.00 H new ATOM 0 HA LYS A 63 95.883 11.219 13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.723 11.592 16.568 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.923 12.379 15.562 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.115 13.458 14.217 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.897 12.637 15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.728 13.779 17.237 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.977 14.577 16.304 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.216 15.655 14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 63 92.970 14.863 15.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.367 17.117 16.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 93.795 15.995 17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.003 16.763 16.896 1.00 0.00 H new ATOM 1020 N GLU A 64 98.027 10.035 13.979 1.00 0.00 N ATOM 1021 CA GLU A 64 99.207 9.181 14.064 1.00 0.00 C ATOM 1022 C GLU A 64 98.824 7.706 13.932 1.00 0.00 C ATOM 1023 O GLU A 64 98.538 7.031 14.926 1.00 0.00 O ATOM 1024 CB GLU A 64 99.919 9.416 15.395 1.00 0.00 C ATOM 1025 CG GLU A 64 100.542 10.819 15.407 1.00 0.00 C ATOM 1026 CD GLU A 64 101.189 11.141 16.765 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.094 10.329 17.679 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.777 12.203 16.868 1.00 0.00 O ATOM 0 H GLU A 64 98.092 10.770 13.275 1.00 0.00 H new ATOM 0 HA GLU A 64 99.877 9.435 13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.213 9.314 16.219 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.693 8.663 15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.293 10.891 14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.774 11.560 15.184 1.00 0.00 H new ATOM 1035 N SER A 65 98.824 7.221 12.690 1.00 0.00 N ATOM 1036 CA SER A 65 98.485 5.829 12.401 1.00 0.00 C ATOM 1037 C SER A 65 99.466 5.260 11.384 1.00 0.00 C ATOM 1038 O SER A 65 100.043 6.008 10.591 1.00 0.00 O ATOM 1039 CB SER A 65 97.055 5.740 11.857 1.00 0.00 C ATOM 1040 OG SER A 65 97.043 6.101 10.480 1.00 0.00 O ATOM 0 H SER A 65 99.056 7.775 11.866 1.00 0.00 H new ATOM 0 HA SER A 65 98.549 5.248 13.321 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.671 4.728 11.981 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.399 6.402 12.422 1.00 0.00 H new ATOM 0 HG SER A 65 96.167 5.891 10.094 1.00 0.00 H new ATOM 1046 N THR A 66 99.655 3.938 11.415 1.00 0.00 N ATOM 1047 CA THR A 66 100.581 3.291 10.491 1.00 0.00 C ATOM 1048 C THR A 66 99.819 2.605 9.362 1.00 0.00 C ATOM 1049 O THR A 66 99.062 1.660 9.596 1.00 0.00 O ATOM 1050 CB THR A 66 101.430 2.262 11.238 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.926 2.842 12.436 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.606 1.832 10.358 1.00 0.00 C ATOM 0 H THR A 66 99.185 3.305 12.062 1.00 0.00 H new ATOM 0 HA THR A 66 101.231 4.054 10.063 1.00 0.00 H new ATOM 0 HB THR A 66 100.819 1.392 11.477 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.469 2.184 12.918 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.211 1.099 10.892 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.228 1.389 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.218 2.701 10.118 1.00 0.00 H new ATOM 1060 N LEU A 67 100.031 3.098 8.143 1.00 0.00 N ATOM 1061 CA LEU A 67 99.369 2.548 6.962 1.00 0.00 C ATOM 1062 C LEU A 67 100.316 1.633 6.198 1.00 0.00 C ATOM 1063 O LEU A 67 101.524 1.875 6.161 1.00 0.00 O ATOM 1064 CB LEU A 67 98.916 3.685 6.041 1.00 0.00 C ATOM 1065 CG LEU A 67 97.791 4.490 6.707 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.611 5.820 5.970 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.476 3.705 6.636 1.00 0.00 C ATOM 0 H LEU A 67 100.657 3.879 7.947 1.00 0.00 H new ATOM 0 HA LEU A 67 98.503 1.973 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.758 4.340 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.569 3.277 5.092 1.00 0.00 H new ATOM 0 HG LEU A 67 98.054 4.672 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.812 6.392 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.540 6.389 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.352 5.627 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.682 4.282 7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.218 3.521 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.592 2.753 7.154 1.00 0.00 H new ATOM 1079 N HIS A 68 99.754 0.591 5.589 1.00 0.00 N ATOM 1080 CA HIS A 68 100.549 -0.355 4.816 1.00 0.00 C ATOM 1081 C HIS A 68 100.517 0.008 3.340 1.00 0.00 C ATOM 1082 O HIS A 68 99.441 0.173 2.757 1.00 0.00 O ATOM 1083 CB HIS A 68 100.011 -1.775 5.003 1.00 0.00 C ATOM 1084 CG HIS A 68 100.300 -2.243 6.401 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.546 -2.721 6.776 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.518 -2.313 7.527 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.480 -3.053 8.076 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.265 -2.824 8.584 1.00 0.00 N ATOM 0 H HIS A 68 98.756 0.383 5.617 1.00 0.00 H new ATOM 0 HA HIS A 68 101.578 -0.310 5.173 1.00 0.00 H new ATOM 0 HB2 HIS A 68 98.937 -1.795 4.816 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.473 -2.448 4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.481 -2.017 7.584 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.307 -3.456 8.641 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.953 -2.988 9.541 1.00 0.00 H new ATOM 1096 N LEU A 69 101.702 0.131 2.742 1.00 0.00 N ATOM 1097 CA LEU A 69 101.818 0.473 1.332 1.00 0.00 C ATOM 1098 C LEU A 69 102.333 -0.721 0.543 1.00 0.00 C ATOM 1099 O LEU A 69 103.292 -1.383 0.954 1.00 0.00 O ATOM 1100 CB LEU A 69 102.774 1.663 1.142 1.00 0.00 C ATOM 1101 CG LEU A 69 102.727 2.138 -0.317 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.421 2.895 -0.577 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.915 3.055 -0.607 1.00 0.00 C ATOM 0 H LEU A 69 102.595 -0.002 3.217 1.00 0.00 H new ATOM 0 HA LEU A 69 100.829 0.750 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.492 2.478 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.790 1.371 1.407 1.00 0.00 H new ATOM 0 HG LEU A 69 102.777 1.268 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.394 3.229 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.574 2.236 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.364 3.760 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.874 3.387 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.876 3.921 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.844 2.511 -0.437 1.00 0.00 H new ATOM 1115 N VAL A 70 101.700 -0.976 -0.600 1.00 0.00 N ATOM 1116 CA VAL A 70 102.093 -2.073 -1.475 1.00 0.00 C ATOM 1117 C VAL A 70 102.298 -1.503 -2.875 1.00 0.00 C ATOM 1118 O VAL A 70 101.621 -0.540 -3.256 1.00 0.00 O ATOM 1119 CB VAL A 70 100.998 -3.158 -1.501 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.460 -4.349 -2.351 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.702 -3.644 -0.074 1.00 0.00 C ATOM 0 H VAL A 70 100.908 -0.432 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 70 103.012 -2.533 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 70 100.094 -2.729 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.681 -5.111 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.657 -4.014 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.371 -4.769 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.927 -4.410 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.609 -4.062 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.360 -2.805 0.532 1.00 0.00 H new ATOM 1131 N LEU A 71 103.225 -2.085 -3.636 1.00 0.00 N ATOM 1132 CA LEU A 71 103.494 -1.607 -4.992 1.00 0.00 C ATOM 1133 C LEU A 71 102.853 -2.540 -6.011 1.00 0.00 C ATOM 1134 O LEU A 71 102.999 -3.762 -5.918 1.00 0.00 O ATOM 1135 CB LEU A 71 105.005 -1.525 -5.249 1.00 0.00 C ATOM 1136 CG LEU A 71 105.270 -0.771 -6.562 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.065 0.733 -6.354 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.710 -1.018 -7.017 1.00 0.00 C ATOM 0 H LEU A 71 103.796 -2.878 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 71 103.067 -0.610 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.497 -1.015 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.429 -2.528 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 71 104.575 -1.132 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.255 1.259 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.040 0.920 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.754 1.092 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.894 -0.482 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.400 -0.663 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.863 -2.085 -7.176 1.00 0.00 H new ATOM 1150 N ARG A 72 102.154 -1.953 -6.985 1.00 0.00 N ATOM 1151 CA ARG A 72 101.497 -2.728 -8.030 1.00 0.00 C ATOM 1152 C ARG A 72 102.278 -2.607 -9.340 1.00 0.00 C ATOM 1153 O ARG A 72 101.994 -1.740 -10.171 1.00 0.00 O ATOM 1154 CB ARG A 72 100.061 -2.229 -8.220 1.00 0.00 C ATOM 1155 CG ARG A 72 99.344 -3.098 -9.254 1.00 0.00 C ATOM 1156 CD ARG A 72 97.954 -2.537 -9.504 1.00 0.00 C ATOM 1157 NE ARG A 72 97.191 -3.444 -10.369 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.058 -3.077 -10.995 1.00 0.00 C ATOM 1159 NH1 ARG A 72 95.564 -1.868 -10.866 1.00 0.00 N ATOM 1160 NH2 ARG A 72 95.438 -3.945 -11.747 1.00 0.00 N ATOM 0 H ARG A 72 102.031 -0.944 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 72 101.470 -3.777 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.526 -2.261 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.068 -1.189 -8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.912 -3.121 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.275 -4.126 -8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.433 -2.401 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.029 -1.555 -9.970 1.00 0.00 H new ATOM 0 HE ARG A 72 97.535 -4.395 -10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.041 -1.182 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 72 94.703 -1.614 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 72 95.813 -4.887 -11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 72 94.578 -3.681 -12.228 1.00 0.00 H new ATOM 1174 N LEU A 73 103.255 -3.488 -9.508 1.00 0.00 N ATOM 1175 CA LEU A 73 104.078 -3.491 -10.710 1.00 0.00 C ATOM 1176 C LEU A 73 103.265 -3.979 -11.901 1.00 0.00 C ATOM 1177 O LEU A 73 102.391 -4.839 -11.756 1.00 0.00 O ATOM 1178 CB LEU A 73 105.297 -4.395 -10.510 1.00 0.00 C ATOM 1179 CG LEU A 73 106.251 -3.767 -9.486 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.273 -4.812 -9.031 1.00 0.00 C ATOM 1181 CD2 LEU A 73 106.993 -2.585 -10.121 1.00 0.00 C ATOM 0 H LEU A 73 103.497 -4.209 -8.828 1.00 0.00 H new ATOM 0 HA LEU A 73 104.417 -2.473 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 73 104.978 -5.379 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 73 105.813 -4.540 -11.459 1.00 0.00 H new ATOM 0 HG LEU A 73 105.673 -3.417 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 107.951 -4.365 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 106.753 -5.654 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 73 107.844 -5.162 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.669 -2.144 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.567 -2.934 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.272 -1.836 -10.447 1.00 0.00 H new ATOM 1193 N ARG A 74 103.571 -3.433 -13.078 1.00 0.00 N ATOM 1194 CA ARG A 74 102.880 -3.822 -14.305 1.00 0.00 C ATOM 1195 C ARG A 74 103.277 -5.242 -14.708 1.00 0.00 C ATOM 1196 O ARG A 74 102.432 -6.036 -15.130 1.00 0.00 O ATOM 1197 CB ARG A 74 103.221 -2.847 -15.430 1.00 0.00 C ATOM 1198 CG ARG A 74 102.562 -1.494 -15.145 1.00 0.00 C ATOM 1199 CD ARG A 74 102.928 -0.504 -16.251 1.00 0.00 C ATOM 1200 NE ARG A 74 104.363 -0.196 -16.200 1.00 0.00 N ATOM 1201 CZ ARG A 74 104.878 0.751 -15.391 1.00 0.00 C ATOM 1202 NH1 ARG A 74 104.113 1.470 -14.597 1.00 0.00 N ATOM 1203 NH2 ARG A 74 106.166 0.958 -15.394 1.00 0.00 N ATOM 0 H ARG A 74 104.291 -2.722 -13.207 1.00 0.00 H new ATOM 0 HA ARG A 74 101.805 -3.795 -14.125 1.00 0.00 H new ATOM 0 HB2 ARG A 74 104.302 -2.729 -15.509 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.873 -3.240 -16.385 1.00 0.00 H new ATOM 0 HG2 ARG A 74 101.480 -1.609 -15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.892 -1.114 -14.178 1.00 0.00 H new ATOM 0 HD2 ARG A 74 102.673 -0.924 -17.224 1.00 0.00 H new ATOM 0 HD3 ARG A 74 102.348 0.412 -16.137 1.00 0.00 H new ATOM 0 HE ARG A 74 104.997 -0.721 -16.802 1.00 0.00 H new ATOM 0 HH11 ARG A 74 103.105 1.317 -14.584 1.00 0.00 H new ATOM 0 HH12 ARG A 74 104.529 2.180 -13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 74 106.770 0.406 -16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 74 106.569 1.672 -14.787 1.00 0.00 H new ATOM 1217 N GLY A 75 104.571 -5.547 -14.565 1.00 0.00 N ATOM 1218 CA GLY A 75 105.090 -6.868 -14.911 1.00 0.00 C ATOM 1219 C GLY A 75 104.354 -7.959 -14.139 1.00 0.00 C ATOM 1220 O GLY A 75 103.775 -8.868 -14.739 1.00 0.00 O ATOM 0 H GLY A 75 105.274 -4.897 -14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 75 104.981 -7.037 -15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 106.156 -6.915 -14.688 1.00 0.00 H new ATOM 1224 N GLY A 76 104.383 -7.859 -12.807 1.00 0.00 N ATOM 1225 CA GLY A 76 103.714 -8.839 -11.952 1.00 0.00 C ATOM 1226 C GLY A 76 102.202 -8.641 -11.977 1.00 0.00 C ATOM 1227 O GLY A 76 101.552 -9.299 -12.773 1.00 0.00 O ATOM 1228 OXT GLY A 76 101.717 -7.837 -11.199 1.00 0.00 O ATOM 0 H GLY A 76 104.860 -7.113 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 76 103.958 -9.847 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 76 104.080 -8.746 -10.930 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 119.099 -14.969 -5.028 1.00 0.00 N ATOM 1234 CA GLN B 198 118.329 -13.783 -4.559 1.00 0.00 C ATOM 1235 C GLN B 198 116.835 -14.074 -4.673 1.00 0.00 C ATOM 1236 O GLN B 198 116.407 -14.826 -5.553 1.00 0.00 O ATOM 1237 CB GLN B 198 118.700 -12.562 -5.416 1.00 0.00 C ATOM 1238 CG GLN B 198 120.174 -12.194 -5.187 1.00 0.00 C ATOM 1239 CD GLN B 198 120.390 -11.707 -3.756 1.00 0.00 C ATOM 1240 OE1 GLN B 198 119.711 -10.785 -3.306 1.00 0.00 O ATOM 1241 NE2 GLN B 198 121.297 -12.277 -3.010 1.00 0.00 N ATOM 0 HA GLN B 198 118.572 -13.571 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN B 198 118.530 -12.781 -6.470 1.00 0.00 H new ATOM 0 HB3 GLN B 198 118.061 -11.718 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN B 198 120.805 -13.061 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN B 198 120.474 -11.417 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN B 198 121.859 -13.041 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN B 198 121.444 -11.958 -2.052 1.00 0.00 H new ATOM 1250 N VAL B 199 116.050 -13.464 -3.781 1.00 0.00 N ATOM 1251 CA VAL B 199 114.601 -13.642 -3.778 1.00 0.00 C ATOM 1252 C VAL B 199 113.921 -12.434 -3.119 1.00 0.00 C ATOM 1253 O VAL B 199 114.446 -11.872 -2.154 1.00 0.00 O ATOM 1254 CB VAL B 199 114.236 -14.945 -3.039 1.00 0.00 C ATOM 1255 CG1 VAL B 199 114.656 -14.865 -1.563 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.723 -15.197 -3.130 1.00 0.00 C ATOM 0 H VAL B 199 116.397 -12.842 -3.051 1.00 0.00 H new ATOM 0 HA VAL B 199 114.246 -13.714 -4.806 1.00 0.00 H new ATOM 0 HB VAL B 199 114.769 -15.769 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL B 199 114.390 -15.794 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL B 199 115.733 -14.713 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL B 199 114.143 -14.032 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL B 199 112.476 -16.120 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL B 199 112.187 -14.365 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL B 199 112.431 -15.286 -4.176 1.00 0.00 H new ATOM 1266 N THR B 200 112.756 -12.049 -3.646 1.00 0.00 N ATOM 1267 CA THR B 200 112.013 -10.924 -3.099 1.00 0.00 C ATOM 1268 C THR B 200 110.700 -11.420 -2.497 1.00 0.00 C ATOM 1269 O THR B 200 109.858 -11.986 -3.201 1.00 0.00 O ATOM 1270 CB THR B 200 111.733 -9.910 -4.206 1.00 0.00 C ATOM 1271 OG1 THR B 200 112.952 -9.584 -4.858 1.00 0.00 O ATOM 1272 CG2 THR B 200 111.129 -8.646 -3.603 1.00 0.00 C ATOM 0 H THR B 200 112.313 -12.500 -4.446 1.00 0.00 H new ATOM 0 HA THR B 200 112.602 -10.444 -2.317 1.00 0.00 H new ATOM 0 HB THR B 200 111.033 -10.338 -4.923 1.00 0.00 H new ATOM 0 HG1 THR B 200 112.778 -8.935 -5.571 1.00 0.00 H new ATOM 0 HG21 THR B 200 110.930 -7.924 -4.395 1.00 0.00 H new ATOM 0 HG22 THR B 200 110.197 -8.894 -3.096 1.00 0.00 H new ATOM 0 HG23 THR B 200 111.828 -8.215 -2.886 1.00 0.00 H new ATOM 1280 N LYS B 201 110.545 -11.196 -1.194 1.00 0.00 N ATOM 1281 CA LYS B 201 109.339 -11.605 -0.481 1.00 0.00 C ATOM 1282 C LYS B 201 108.919 -10.536 0.519 1.00 0.00 C ATOM 1283 O LYS B 201 109.743 -9.744 0.983 1.00 0.00 O ATOM 1284 CB LYS B 201 109.562 -12.941 0.230 1.00 0.00 C ATOM 1285 CG LYS B 201 109.627 -14.064 -0.809 1.00 0.00 C ATOM 1286 CD LYS B 201 109.878 -15.396 -0.106 1.00 0.00 C ATOM 1287 CE LYS B 201 109.889 -16.522 -1.139 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.152 -17.821 -0.455 1.00 0.00 N ATOM 0 H LYS B 201 111.241 -10.733 -0.610 1.00 0.00 H new ATOM 0 HA LYS B 201 108.538 -11.730 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.487 -12.909 0.806 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.753 -13.130 0.936 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.694 -14.108 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.423 -13.864 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.829 -15.366 0.425 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.103 -15.578 0.639 1.00 0.00 H new ATOM 0 HE2 LYS B 201 108.933 -16.561 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS B 201 110.655 -16.333 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.160 -18.588 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.074 -17.781 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.406 -18.001 0.246 1.00 0.00 H new ATOM 1302 N VAL B 202 107.629 -10.529 0.839 1.00 0.00 N ATOM 1303 CA VAL B 202 107.072 -9.561 1.787 1.00 0.00 C ATOM 1304 C VAL B 202 105.863 -10.160 2.498 1.00 0.00 C ATOM 1305 O VAL B 202 105.115 -10.946 1.913 1.00 0.00 O ATOM 1306 CB VAL B 202 106.673 -8.254 1.069 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.932 -7.543 0.563 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.753 -8.554 -0.117 1.00 0.00 C ATOM 0 H VAL B 202 106.946 -11.183 0.457 1.00 0.00 H new ATOM 0 HA VAL B 202 107.839 -9.325 2.525 1.00 0.00 H new ATOM 0 HB VAL B 202 106.144 -7.615 1.776 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.650 -6.620 0.056 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.582 -7.310 1.406 1.00 0.00 H new ATOM 0 HG13 VAL B 202 108.461 -8.193 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL B 202 105.481 -7.622 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL B 202 106.270 -9.203 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.851 -9.052 0.239 1.00 0.00 H new ATOM 1318 N ASP B 203 105.695 -9.784 3.764 1.00 0.00 N ATOM 1319 CA ASP B 203 104.586 -10.283 4.578 1.00 0.00 C ATOM 1320 C ASP B 203 103.274 -9.605 4.176 1.00 0.00 C ATOM 1321 O ASP B 203 103.286 -8.469 3.698 1.00 0.00 O ATOM 1322 CB ASP B 203 104.874 -10.002 6.049 1.00 0.00 C ATOM 1323 CG ASP B 203 106.094 -10.792 6.507 1.00 0.00 C ATOM 1324 OD1 ASP B 203 106.147 -11.979 6.225 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.957 -10.200 7.132 1.00 0.00 O ATOM 0 H ASP B 203 106.313 -9.134 4.250 1.00 0.00 H new ATOM 0 HA ASP B 203 104.487 -11.356 4.417 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.046 -8.936 6.196 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.009 -10.272 6.654 1.00 0.00 H new ATOM 1330 N CYS B 204 102.145 -10.301 4.385 1.00 0.00 N ATOM 1331 CA CYS B 204 100.834 -9.742 4.049 1.00 0.00 C ATOM 1332 C CYS B 204 100.290 -8.929 5.242 1.00 0.00 C ATOM 1333 O CYS B 204 100.192 -9.468 6.344 1.00 0.00 O ATOM 1334 CB CYS B 204 99.843 -10.866 3.691 1.00 0.00 C ATOM 1335 SG CYS B 204 98.232 -10.159 3.219 1.00 0.00 S ATOM 0 H CYS B 204 102.117 -11.241 4.781 1.00 0.00 H new ATOM 0 HA CYS B 204 100.947 -9.087 3.185 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.240 -11.463 2.870 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.719 -11.536 4.542 1.00 0.00 H new ATOM 1340 N PRO B 205 99.934 -7.658 5.073 1.00 0.00 N ATOM 1341 CA PRO B 205 99.386 -6.833 6.202 1.00 0.00 C ATOM 1342 C PRO B 205 97.986 -7.286 6.638 1.00 0.00 C ATOM 1343 O PRO B 205 97.494 -6.885 7.696 1.00 0.00 O ATOM 1344 CB PRO B 205 99.336 -5.414 5.635 1.00 0.00 C ATOM 1345 CG PRO B 205 99.279 -5.573 4.151 1.00 0.00 C ATOM 1346 CD PRO B 205 100.003 -6.869 3.822 1.00 0.00 C ATOM 0 HA PRO B 205 100.004 -6.922 7.095 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.464 -4.875 6.005 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.214 -4.842 5.934 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.246 -5.608 3.805 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.753 -4.728 3.653 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.524 -7.393 2.995 1.00 0.00 H new ATOM 0 HD3 PRO B 205 101.035 -6.683 3.526 1.00 0.00 H new ATOM 1354 N VAL B 206 97.350 -8.099 5.796 1.00 0.00 N ATOM 1355 CA VAL B 206 95.995 -8.596 6.045 1.00 0.00 C ATOM 1356 C VAL B 206 96.002 -9.901 6.840 1.00 0.00 C ATOM 1357 O VAL B 206 95.256 -10.057 7.811 1.00 0.00 O ATOM 1358 CB VAL B 206 95.309 -8.919 4.703 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.836 -9.311 4.924 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.400 -7.738 3.733 1.00 0.00 C ATOM 0 H VAL B 206 97.758 -8.432 4.922 1.00 0.00 H new ATOM 0 HA VAL B 206 95.474 -7.818 6.604 1.00 0.00 H new ATOM 0 HB VAL B 206 95.835 -9.765 4.260 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.371 -9.535 3.964 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.786 -10.191 5.565 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.307 -8.485 5.399 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.907 -7.998 2.796 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.911 -6.868 4.172 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.447 -7.506 3.540 1.00 0.00 H new ATOM 1370 N CYS B 207 96.786 -10.858 6.347 1.00 0.00 N ATOM 1371 CA CYS B 207 96.834 -12.195 6.926 1.00 0.00 C ATOM 1372 C CYS B 207 98.248 -12.590 7.379 1.00 0.00 C ATOM 1373 O CYS B 207 98.411 -13.564 8.118 1.00 0.00 O ATOM 1374 CB CYS B 207 96.277 -13.174 5.863 1.00 0.00 C ATOM 1375 SG CYS B 207 97.511 -13.555 4.584 1.00 0.00 S ATOM 0 H CYS B 207 97.400 -10.729 5.543 1.00 0.00 H new ATOM 0 HA CYS B 207 96.228 -12.227 7.832 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.961 -14.097 6.349 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.393 -12.740 5.397 1.00 0.00 H new ATOM 1380 N GLY B 208 99.259 -11.828 6.941 1.00 0.00 N ATOM 1381 CA GLY B 208 100.647 -12.106 7.312 1.00 0.00 C ATOM 1382 C GLY B 208 101.062 -13.484 6.831 1.00 0.00 C ATOM 1383 O GLY B 208 101.132 -14.433 7.613 1.00 0.00 O ATOM 0 H GLY B 208 99.140 -11.018 6.332 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.303 -11.351 6.879 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.759 -12.043 8.394 1.00 0.00 H new ATOM 1387 N VAL B 209 101.345 -13.578 5.532 1.00 0.00 N ATOM 1388 CA VAL B 209 101.770 -14.832 4.930 1.00 0.00 C ATOM 1389 C VAL B 209 102.968 -14.567 4.022 1.00 0.00 C ATOM 1390 O VAL B 209 103.009 -13.553 3.321 1.00 0.00 O ATOM 1391 CB VAL B 209 100.600 -15.468 4.149 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.076 -16.692 3.353 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.526 -15.914 5.137 1.00 0.00 C ATOM 0 H VAL B 209 101.286 -12.797 4.879 1.00 0.00 H new ATOM 0 HA VAL B 209 102.070 -15.537 5.706 1.00 0.00 H new ATOM 0 HB VAL B 209 100.202 -14.728 3.455 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.234 -17.123 2.811 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.847 -16.388 2.645 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.485 -17.435 4.038 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.696 -16.364 4.593 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.947 -16.645 5.827 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.167 -15.051 5.698 1.00 0.00 H new ATOM 1403 N ASN B 210 103.921 -15.498 4.031 1.00 0.00 N ATOM 1404 CA ASN B 210 105.106 -15.374 3.193 1.00 0.00 C ATOM 1405 C ASN B 210 104.694 -15.531 1.741 1.00 0.00 C ATOM 1406 O ASN B 210 104.188 -16.583 1.344 1.00 0.00 O ATOM 1407 CB ASN B 210 106.120 -16.455 3.556 1.00 0.00 C ATOM 1408 CG ASN B 210 107.518 -16.000 3.181 1.00 0.00 C ATOM 1409 OD1 ASN B 210 108.205 -16.674 2.418 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.981 -14.886 3.673 1.00 0.00 N ATOM 0 H ASN B 210 103.894 -16.340 4.606 1.00 0.00 H new ATOM 0 HA ASN B 210 105.564 -14.397 3.349 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.072 -16.667 4.624 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.878 -17.382 3.036 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.918 -14.570 3.425 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.406 -14.330 4.306 1.00 0.00 H new ATOM 1417 N ILE B 211 104.900 -14.472 0.955 1.00 0.00 N ATOM 1418 CA ILE B 211 104.525 -14.496 -0.459 1.00 0.00 C ATOM 1419 C ILE B 211 105.464 -13.594 -1.296 1.00 0.00 C ATOM 1420 O ILE B 211 105.767 -12.475 -0.877 1.00 0.00 O ATOM 1421 CB ILE B 211 103.065 -14.015 -0.650 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.090 -14.910 0.143 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.688 -14.070 -2.144 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.687 -14.279 0.179 1.00 0.00 C ATOM 0 H ILE B 211 105.319 -13.597 1.269 1.00 0.00 H new ATOM 0 HA ILE B 211 104.615 -15.527 -0.802 1.00 0.00 H new ATOM 0 HB ILE B 211 102.992 -12.991 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.039 -15.898 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.459 -15.049 1.159 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.660 -13.731 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.357 -13.424 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.780 -15.094 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.012 -14.924 0.742 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.740 -13.302 0.659 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.314 -14.164 -0.839 1.00 0.00 H new ATOM 1436 N PRO B 212 105.890 -14.027 -2.487 1.00 0.00 N ATOM 1437 CA PRO B 212 106.757 -13.189 -3.376 1.00 0.00 C ATOM 1438 C PRO B 212 106.076 -11.859 -3.681 1.00 0.00 C ATOM 1439 O PRO B 212 104.857 -11.750 -3.569 1.00 0.00 O ATOM 1440 CB PRO B 212 106.932 -14.026 -4.649 1.00 0.00 C ATOM 1441 CG PRO B 212 106.637 -15.427 -4.245 1.00 0.00 C ATOM 1442 CD PRO B 212 105.621 -15.347 -3.114 1.00 0.00 C ATOM 0 HA PRO B 212 107.715 -12.944 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.254 -13.693 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.944 -13.936 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.239 -15.997 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.544 -15.935 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.600 -15.411 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.751 -16.162 -2.402 1.00 0.00 H new ATOM 1450 N GLU B 213 106.869 -10.860 -4.071 1.00 0.00 N ATOM 1451 CA GLU B 213 106.329 -9.532 -4.382 1.00 0.00 C ATOM 1452 C GLU B 213 105.328 -9.596 -5.537 1.00 0.00 C ATOM 1453 O GLU B 213 104.304 -8.907 -5.517 1.00 0.00 O ATOM 1454 CB GLU B 213 107.472 -8.575 -4.747 1.00 0.00 C ATOM 1455 CG GLU B 213 107.052 -7.120 -4.491 1.00 0.00 C ATOM 1456 CD GLU B 213 105.989 -6.686 -5.500 1.00 0.00 C ATOM 1457 OE1 GLU B 213 106.064 -7.111 -6.643 1.00 0.00 O ATOM 1458 OE2 GLU B 213 105.117 -5.927 -5.114 1.00 0.00 O ATOM 0 H GLU B 213 107.880 -10.942 -4.179 1.00 0.00 H new ATOM 0 HA GLU B 213 105.809 -9.165 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.357 -8.814 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU B 213 107.742 -8.704 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.663 -7.020 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU B 213 107.921 -6.466 -4.565 1.00 0.00 H new ATOM 1465 N SER B 214 105.632 -10.419 -6.536 1.00 0.00 N ATOM 1466 CA SER B 214 104.757 -10.575 -7.699 1.00 0.00 C ATOM 1467 C SER B 214 103.434 -11.241 -7.324 1.00 0.00 C ATOM 1468 O SER B 214 102.372 -10.850 -7.813 1.00 0.00 O ATOM 1469 CB SER B 214 105.452 -11.404 -8.767 1.00 0.00 C ATOM 1470 OG SER B 214 104.598 -11.524 -9.898 1.00 0.00 O ATOM 0 H SER B 214 106.477 -10.989 -6.566 1.00 0.00 H new ATOM 0 HA SER B 214 104.541 -9.578 -8.084 1.00 0.00 H new ATOM 0 HB2 SER B 214 106.392 -10.933 -9.055 1.00 0.00 H new ATOM 0 HB3 SER B 214 105.697 -12.391 -8.375 1.00 0.00 H new ATOM 0 HG SER B 214 105.044 -12.057 -10.589 1.00 0.00 H new ATOM 1476 N HIS B 215 103.515 -12.258 -6.469 1.00 0.00 N ATOM 1477 CA HIS B 215 102.326 -13.001 -6.036 1.00 0.00 C ATOM 1478 C HIS B 215 101.442 -12.181 -5.090 1.00 0.00 C ATOM 1479 O HIS B 215 100.303 -12.571 -4.830 1.00 0.00 O ATOM 1480 CB HIS B 215 102.759 -14.287 -5.329 1.00 0.00 C ATOM 1481 CG HIS B 215 103.251 -15.293 -6.333 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.530 -15.246 -6.859 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.645 -16.378 -6.915 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.654 -16.273 -7.720 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.533 -16.995 -7.792 1.00 0.00 N ATOM 0 H HIS B 215 104.389 -12.589 -6.061 1.00 0.00 H new ATOM 0 HA HIS B 215 101.740 -13.229 -6.926 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.547 -14.067 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.921 -14.702 -4.768 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.633 -16.704 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.550 -16.487 -8.284 1.00 0.00 H new ATOM 0 HE2 HIS B 215 103.364 -17.821 -8.366 1.00 0.00 H new ATOM 1493 N ILE B 216 101.962 -11.060 -4.572 1.00 0.00 N ATOM 1494 CA ILE B 216 101.201 -10.219 -3.659 1.00 0.00 C ATOM 1495 C ILE B 216 100.009 -9.591 -4.384 1.00 0.00 C ATOM 1496 O ILE B 216 98.922 -9.507 -3.817 1.00 0.00 O ATOM 1497 CB ILE B 216 102.130 -9.132 -3.065 1.00 0.00 C ATOM 1498 CG1 ILE B 216 102.970 -9.746 -1.920 1.00 0.00 C ATOM 1499 CG2 ILE B 216 101.346 -7.905 -2.559 1.00 0.00 C ATOM 1500 CD1 ILE B 216 102.134 -10.019 -0.638 1.00 0.00 C ATOM 0 H ILE B 216 102.903 -10.722 -4.773 1.00 0.00 H new ATOM 0 HA ILE B 216 100.810 -10.827 -2.843 1.00 0.00 H new ATOM 0 HB ILE B 216 102.787 -8.780 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE B 216 103.416 -10.680 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE B 216 103.791 -9.072 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE B 216 102.042 -7.171 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE B 216 100.793 -7.460 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE B 216 100.649 -8.215 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE B 216 102.776 -10.449 0.130 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.710 -9.083 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE B 216 101.329 -10.716 -0.870 1.00 0.00 H new ATOM 1512 N ASN B 217 100.231 -9.122 -5.611 1.00 0.00 N ATOM 1513 CA ASN B 217 99.170 -8.463 -6.358 1.00 0.00 C ATOM 1514 C ASN B 217 97.951 -9.372 -6.479 1.00 0.00 C ATOM 1515 O ASN B 217 96.824 -8.952 -6.198 1.00 0.00 O ATOM 1516 CB ASN B 217 99.676 -8.084 -7.752 1.00 0.00 C ATOM 1517 CG ASN B 217 100.718 -6.967 -7.660 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.665 -6.131 -6.756 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.670 -6.903 -8.551 1.00 0.00 N ATOM 0 H ASN B 217 101.124 -9.186 -6.100 1.00 0.00 H new ATOM 0 HA ASN B 217 98.877 -7.561 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN B 217 100.113 -8.957 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.841 -7.760 -8.373 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.369 -6.162 -8.498 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.715 -7.594 -9.300 1.00 0.00 H new ATOM 1526 N LYS B 218 98.195 -10.622 -6.873 1.00 0.00 N ATOM 1527 CA LYS B 218 97.120 -11.601 -7.001 1.00 0.00 C ATOM 1528 C LYS B 218 96.616 -11.992 -5.612 1.00 0.00 C ATOM 1529 O LYS B 218 95.408 -12.106 -5.390 1.00 0.00 O ATOM 1530 CB LYS B 218 97.608 -12.840 -7.760 1.00 0.00 C ATOM 1531 CG LYS B 218 96.419 -13.769 -8.033 1.00 0.00 C ATOM 1532 CD LYS B 218 96.879 -14.950 -8.877 1.00 0.00 C ATOM 1533 CE LYS B 218 95.689 -15.869 -9.162 1.00 0.00 C ATOM 1534 NZ LYS B 218 96.137 -17.008 -10.009 1.00 0.00 N ATOM 0 H LYS B 218 99.122 -10.977 -7.107 1.00 0.00 H new ATOM 0 HA LYS B 218 96.301 -11.157 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.076 -12.544 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.366 -13.363 -7.177 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.997 -14.123 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.630 -13.224 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.310 -14.595 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.661 -15.501 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.269 -16.240 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.899 -15.314 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.330 -17.634 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.518 -16.645 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.877 -17.542 -9.510 1.00 0.00 H new ATOM 1548 N HIS B 219 97.559 -12.200 -4.688 1.00 0.00 N ATOM 1549 CA HIS B 219 97.210 -12.587 -3.324 1.00 0.00 C ATOM 1550 C HIS B 219 96.280 -11.550 -2.685 1.00 0.00 C ATOM 1551 O HIS B 219 95.416 -11.916 -1.891 1.00 0.00 O ATOM 1552 CB HIS B 219 98.475 -12.775 -2.465 1.00 0.00 C ATOM 1553 CG HIS B 219 98.073 -13.020 -1.032 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.563 -14.231 -0.596 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.031 -12.182 0.046 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.232 -14.084 0.701 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.498 -12.857 1.141 1.00 0.00 N ATOM 0 H HIS B 219 98.560 -12.107 -4.860 1.00 0.00 H new ATOM 0 HA HIS B 219 96.683 -13.540 -3.371 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.061 -13.615 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.108 -11.890 -2.531 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.457 -15.078 -1.154 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.361 -11.154 0.049 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.803 -14.866 1.310 1.00 0.00 H new ATOM 1564 N LEU B 220 96.478 -10.274 -3.006 1.00 0.00 N ATOM 1565 CA LEU B 220 95.651 -9.223 -2.427 1.00 0.00 C ATOM 1566 C LEU B 220 94.192 -9.426 -2.814 1.00 0.00 C ATOM 1567 O LEU B 220 93.295 -9.219 -1.997 1.00 0.00 O ATOM 1568 CB LEU B 220 96.130 -7.849 -2.900 1.00 0.00 C ATOM 1569 CG LEU B 220 97.373 -7.424 -2.104 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.046 -6.243 -2.806 1.00 0.00 C ATOM 1571 CD2 LEU B 220 96.954 -6.999 -0.689 1.00 0.00 C ATOM 0 H LEU B 220 97.194 -9.947 -3.655 1.00 0.00 H new ATOM 0 HA LEU B 220 95.738 -9.272 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.363 -7.882 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.336 -7.113 -2.771 1.00 0.00 H new ATOM 0 HG LEU B 220 98.069 -8.261 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU B 220 98.928 -5.940 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.342 -6.539 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.348 -5.408 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU B 220 97.836 -6.697 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.259 -6.162 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.469 -7.836 -0.186 1.00 0.00 H new ATOM 1583 N ASP B 221 93.968 -9.840 -4.060 1.00 0.00 N ATOM 1584 CA ASP B 221 92.615 -10.085 -4.555 1.00 0.00 C ATOM 1585 C ASP B 221 91.947 -11.232 -3.787 1.00 0.00 C ATOM 1586 O ASP B 221 90.743 -11.198 -3.543 1.00 0.00 O ATOM 1587 CB ASP B 221 92.666 -10.432 -6.044 1.00 0.00 C ATOM 1588 CG ASP B 221 91.271 -10.341 -6.654 1.00 0.00 C ATOM 1589 OD1 ASP B 221 90.604 -9.350 -6.409 1.00 0.00 O ATOM 1590 OD2 ASP B 221 90.890 -11.265 -7.355 1.00 0.00 O ATOM 0 H ASP B 221 94.705 -10.012 -4.744 1.00 0.00 H new ATOM 0 HA ASP B 221 92.027 -9.179 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.342 -9.751 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.064 -11.438 -6.177 1.00 0.00 H new ATOM 1595 N SER B 222 92.742 -12.236 -3.406 1.00 0.00 N ATOM 1596 CA SER B 222 92.225 -13.390 -2.661 1.00 0.00 C ATOM 1597 C SER B 222 92.036 -13.050 -1.179 1.00 0.00 C ATOM 1598 O SER B 222 91.034 -13.426 -0.568 1.00 0.00 O ATOM 1599 CB SER B 222 93.196 -14.566 -2.792 1.00 0.00 C ATOM 1600 OG SER B 222 94.469 -14.183 -2.289 1.00 0.00 O ATOM 0 H SER B 222 93.743 -12.274 -3.600 1.00 0.00 H new ATOM 0 HA SER B 222 91.256 -13.659 -3.081 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.819 -15.427 -2.241 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.281 -14.868 -3.836 1.00 0.00 H new ATOM 0 HG SER B 222 94.563 -13.209 -2.345 1.00 0.00 H new ATOM 1606 N CYS B 223 93.016 -12.342 -0.616 1.00 0.00 N ATOM 1607 CA CYS B 223 92.982 -11.947 0.792 1.00 0.00 C ATOM 1608 C CYS B 223 91.838 -10.970 1.051 1.00 0.00 C ATOM 1609 O CYS B 223 91.051 -11.151 1.981 1.00 0.00 O ATOM 1610 CB CYS B 223 94.325 -11.304 1.178 1.00 0.00 C ATOM 1611 SG CYS B 223 94.702 -11.650 2.918 1.00 0.00 S ATOM 0 H CYS B 223 93.847 -12.029 -1.117 1.00 0.00 H new ATOM 0 HA CYS B 223 92.816 -12.835 1.403 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.120 -11.692 0.541 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.282 -10.227 1.014 1.00 0.00 H new ATOM 1616 N LEU B 224 91.760 -9.941 0.208 1.00 0.00 N ATOM 1617 CA LEU B 224 90.717 -8.924 0.322 1.00 0.00 C ATOM 1618 C LEU B 224 89.339 -9.529 0.064 1.00 0.00 C ATOM 1619 O LEU B 224 88.369 -9.193 0.749 1.00 0.00 O ATOM 1620 CB LEU B 224 90.998 -7.788 -0.670 1.00 0.00 C ATOM 1621 CG LEU B 224 92.225 -6.985 -0.202 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.743 -6.116 -1.350 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.831 -6.077 0.970 1.00 0.00 C ATOM 0 H LEU B 224 92.410 -9.790 -0.564 1.00 0.00 H new ATOM 0 HA LEU B 224 90.723 -8.525 1.336 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.176 -8.196 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.129 -7.134 -0.745 1.00 0.00 H new ATOM 0 HG LEU B 224 93.004 -7.679 0.114 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.611 -5.549 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.027 -6.752 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.960 -5.427 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.702 -5.510 1.299 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.049 -5.388 0.650 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.462 -6.687 1.795 1.00 0.00 H new ATOM 1635 N SER B 225 89.269 -10.421 -0.926 1.00 0.00 N ATOM 1636 CA SER B 225 88.008 -11.081 -1.276 1.00 0.00 C ATOM 1637 C SER B 225 87.494 -11.926 -0.114 1.00 0.00 C ATOM 1638 O SER B 225 86.285 -11.991 0.120 1.00 0.00 O ATOM 1639 CB SER B 225 88.205 -11.978 -2.500 1.00 0.00 C ATOM 1640 OG SER B 225 89.212 -12.937 -2.220 1.00 0.00 O ATOM 0 H SER B 225 90.066 -10.702 -1.497 1.00 0.00 H new ATOM 0 HA SER B 225 87.275 -10.306 -1.501 1.00 0.00 H new ATOM 0 HB2 SER B 225 87.270 -12.478 -2.753 1.00 0.00 H new ATOM 0 HB3 SER B 225 88.489 -11.377 -3.364 1.00 0.00 H new ATOM 0 HG SER B 225 89.712 -12.663 -1.423 1.00 0.00 H new ATOM 1646 N ARG B 226 88.419 -12.565 0.612 1.00 0.00 N ATOM 1647 CA ARG B 226 88.048 -13.409 1.747 1.00 0.00 C ATOM 1648 C ARG B 226 87.287 -12.576 2.781 1.00 0.00 C ATOM 1649 O ARG B 226 86.245 -12.997 3.296 1.00 0.00 O ATOM 1650 CB ARG B 226 89.311 -13.996 2.388 1.00 0.00 C ATOM 1651 CG ARG B 226 88.920 -15.016 3.463 1.00 0.00 C ATOM 1652 CD ARG B 226 90.179 -15.576 4.123 1.00 0.00 C ATOM 1653 NE ARG B 226 89.824 -16.691 5.016 1.00 0.00 N ATOM 1654 CZ ARG B 226 90.672 -17.199 5.929 1.00 0.00 C ATOM 1655 NH1 ARG B 226 91.887 -16.727 6.076 1.00 0.00 N ATOM 1656 NH2 ARG B 226 90.272 -18.187 6.683 1.00 0.00 N ATOM 0 H ARG B 226 89.422 -12.513 0.433 1.00 0.00 H new ATOM 0 HA ARG B 226 87.410 -14.221 1.398 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.928 -14.474 1.627 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.910 -13.200 2.830 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.284 -14.544 4.212 1.00 0.00 H new ATOM 0 HG3 ARG B 226 88.341 -15.825 3.017 1.00 0.00 H new ATOM 0 HD2 ARG B 226 90.878 -15.918 3.360 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.683 -14.792 4.689 1.00 0.00 H new ATOM 0 HE ARG B 226 88.892 -17.098 4.939 1.00 0.00 H new ATOM 0 HH11 ARG B 226 92.209 -15.956 5.490 1.00 0.00 H new ATOM 0 HH12 ARG B 226 92.510 -17.130 6.776 1.00 0.00 H new ATOM 0 HH21 ARG B 226 89.330 -18.562 6.575 1.00 0.00 H new ATOM 0 HH22 ARG B 226 90.902 -18.584 7.380 1.00 0.00 H new ATOM 1670 N GLU B 227 87.825 -11.389 3.074 1.00 0.00 N ATOM 1671 CA GLU B 227 87.213 -10.485 4.048 1.00 0.00 C ATOM 1672 C GLU B 227 85.740 -10.253 3.721 1.00 0.00 C ATOM 1673 O GLU B 227 84.878 -10.356 4.599 1.00 0.00 O ATOM 1674 CB GLU B 227 87.947 -9.147 4.043 1.00 0.00 C ATOM 1675 CG GLU B 227 89.366 -9.341 4.589 1.00 0.00 C ATOM 1676 CD GLU B 227 90.161 -8.025 4.578 1.00 0.00 C ATOM 1677 OE1 GLU B 227 89.640 -7.015 4.116 1.00 0.00 O ATOM 1678 OE2 GLU B 227 91.287 -8.047 5.041 1.00 0.00 O ATOM 0 H GLU B 227 88.682 -11.033 2.651 1.00 0.00 H new ATOM 0 HA GLU B 227 87.286 -10.944 5.034 1.00 0.00 H new ATOM 0 HB2 GLU B 227 87.987 -8.746 3.030 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.407 -8.422 4.652 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.315 -9.728 5.607 1.00 0.00 H new ATOM 0 HG3 GLU B 227 89.888 -10.087 3.990 1.00 0.00 H new ATOM 1685 N GLU B 228 85.461 -9.953 2.451 1.00 0.00 N ATOM 1686 CA GLU B 228 84.085 -9.725 2.005 1.00 0.00 C ATOM 1687 C GLU B 228 83.250 -11.009 2.106 1.00 0.00 C ATOM 1688 O GLU B 228 82.017 -10.951 2.140 1.00 0.00 O ATOM 1689 CB GLU B 228 84.074 -9.244 0.552 1.00 0.00 C ATOM 1690 CG GLU B 228 84.692 -7.839 0.460 1.00 0.00 C ATOM 1691 CD GLU B 228 84.773 -7.349 -0.998 1.00 0.00 C ATOM 1692 OE1 GLU B 228 84.288 -8.039 -1.888 1.00 0.00 O ATOM 1693 OE2 GLU B 228 85.325 -6.281 -1.203 1.00 0.00 O ATOM 0 H GLU B 228 86.164 -9.863 1.718 1.00 0.00 H new ATOM 0 HA GLU B 228 83.650 -8.965 2.654 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.634 -9.939 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU B 228 83.052 -9.227 0.174 1.00 0.00 H new ATOM 0 HG2 GLU B 228 84.096 -7.140 1.047 1.00 0.00 H new ATOM 0 HG3 GLU B 228 85.691 -7.851 0.896 1.00 0.00 H new ATOM 1700 N LYS B 229 83.926 -12.164 2.164 1.00 0.00 N ATOM 1701 CA LYS B 229 83.235 -13.449 2.269 1.00 0.00 C ATOM 1702 C LYS B 229 82.709 -13.679 3.686 1.00 0.00 C ATOM 1703 O LYS B 229 81.528 -13.981 3.878 1.00 0.00 O ATOM 1704 CB LYS B 229 84.184 -14.588 1.879 1.00 0.00 C ATOM 1705 CG LYS B 229 83.375 -15.841 1.532 1.00 0.00 C ATOM 1706 CD LYS B 229 84.305 -16.917 0.975 1.00 0.00 C ATOM 1707 CE LYS B 229 83.471 -18.113 0.517 1.00 0.00 C ATOM 1708 NZ LYS B 229 82.867 -18.782 1.704 1.00 0.00 N ATOM 0 H LYS B 229 84.943 -12.232 2.140 1.00 0.00 H new ATOM 0 HA LYS B 229 82.385 -13.432 1.586 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.794 -14.290 1.026 1.00 0.00 H new ATOM 0 HB3 LYS B 229 84.868 -14.801 2.701 1.00 0.00 H new ATOM 0 HG2 LYS B 229 82.864 -16.213 2.420 1.00 0.00 H new ATOM 0 HG3 LYS B 229 82.605 -15.597 0.800 1.00 0.00 H new ATOM 0 HD2 LYS B 229 84.882 -16.519 0.140 1.00 0.00 H new ATOM 0 HD3 LYS B 229 85.020 -17.227 1.737 1.00 0.00 H new ATOM 0 HE2 LYS B 229 82.688 -17.784 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS B 229 84.096 -18.817 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 82.704 -19.787 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 83.513 -18.701 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 81.962 -18.326 1.936 1.00 0.00 H new ATOM 1722 N LYS B 230 83.602 -13.529 4.668 1.00 0.00 N ATOM 1723 CA LYS B 230 83.243 -13.720 6.074 1.00 0.00 C ATOM 1724 C LYS B 230 82.234 -12.676 6.543 1.00 0.00 C ATOM 1725 O LYS B 230 81.306 -12.998 7.287 1.00 0.00 O ATOM 1726 CB LYS B 230 84.493 -13.650 6.955 1.00 0.00 C ATOM 1727 CG LYS B 230 85.382 -14.864 6.685 1.00 0.00 C ATOM 1728 CD LYS B 230 86.644 -14.777 7.547 1.00 0.00 C ATOM 1729 CE LYS B 230 87.545 -15.979 7.258 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.783 -15.882 8.081 1.00 0.00 N ATOM 0 H LYS B 230 84.578 -13.276 4.514 1.00 0.00 H new ATOM 0 HA LYS B 230 82.785 -14.705 6.163 1.00 0.00 H new ATOM 0 HB2 LYS B 230 85.043 -12.732 6.750 1.00 0.00 H new ATOM 0 HB3 LYS B 230 84.208 -13.623 8.007 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.839 -15.782 6.909 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.652 -14.902 5.630 1.00 0.00 H new ATOM 0 HD2 LYS B 230 87.178 -13.850 7.336 1.00 0.00 H new ATOM 0 HD3 LYS B 230 86.375 -14.757 8.603 1.00 0.00 H new ATOM 0 HE2 LYS B 230 87.017 -16.905 7.484 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.801 -16.009 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 89.085 -16.835 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 89.537 -15.433 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 88.592 -15.310 8.929 1.00 0.00 H new ATOM 1744 N GLU B 231 82.422 -11.431 6.102 1.00 0.00 N ATOM 1745 CA GLU B 231 81.531 -10.342 6.474 1.00 0.00 C ATOM 1746 C GLU B 231 80.154 -10.548 5.862 1.00 0.00 C ATOM 1747 O GLU B 231 79.988 -11.310 4.905 1.00 0.00 O ATOM 1748 CB GLU B 231 82.105 -9.011 5.981 1.00 0.00 C ATOM 1749 CG GLU B 231 83.393 -8.682 6.744 1.00 0.00 C ATOM 1750 CD GLU B 231 83.085 -8.420 8.217 1.00 0.00 C ATOM 1751 OE1 GLU B 231 82.224 -7.597 8.480 1.00 0.00 O ATOM 1752 OE2 GLU B 231 83.709 -9.050 9.054 1.00 0.00 O ATOM 0 H GLU B 231 83.187 -11.156 5.485 1.00 0.00 H new ATOM 0 HA GLU B 231 81.440 -10.326 7.560 1.00 0.00 H new ATOM 0 HB2 GLU B 231 82.310 -9.067 4.912 1.00 0.00 H new ATOM 0 HB3 GLU B 231 81.374 -8.215 6.124 1.00 0.00 H new ATOM 0 HG2 GLU B 231 84.098 -9.509 6.654 1.00 0.00 H new ATOM 0 HG3 GLU B 231 83.871 -7.807 6.304 1.00 0.00 H new ATOM 1759 N SER B 232 79.169 -9.860 6.436 1.00 0.00 N ATOM 1760 CA SER B 232 77.779 -9.939 5.977 1.00 0.00 C ATOM 1761 C SER B 232 77.209 -11.304 6.317 1.00 0.00 C ATOM 1762 O SER B 232 77.923 -12.171 6.821 1.00 0.00 O ATOM 1763 CB SER B 232 77.686 -9.688 4.451 1.00 0.00 C ATOM 1764 OG SER B 232 77.794 -10.923 3.733 1.00 0.00 O ATOM 0 H SER B 232 79.308 -9.234 7.229 1.00 0.00 H new ATOM 0 HA SER B 232 77.200 -9.167 6.483 1.00 0.00 H new ATOM 0 HB2 SER B 232 76.739 -9.204 4.213 1.00 0.00 H new ATOM 0 HB3 SER B 232 78.479 -9.008 4.139 1.00 0.00 H new ATOM 0 HG SER B 232 78.734 -11.199 3.696 1.00 0.00 H new ATOM 1770 N LEU B 233 75.921 -11.483 6.026 1.00 0.00 N ATOM 1771 CA LEU B 233 75.233 -12.764 6.279 1.00 0.00 C ATOM 1772 C LEU B 233 76.103 -13.930 5.820 1.00 0.00 C ATOM 1773 O LEU B 233 77.000 -13.748 4.993 1.00 0.00 O ATOM 1774 CB LEU B 233 73.885 -12.807 5.531 1.00 0.00 C ATOM 1775 CG LEU B 233 72.893 -11.834 6.174 1.00 0.00 C ATOM 1776 CD1 LEU B 233 71.697 -11.638 5.236 1.00 0.00 C ATOM 1777 CD2 LEU B 233 72.395 -12.404 7.511 1.00 0.00 C ATOM 0 H LEU B 233 75.327 -10.763 5.615 1.00 0.00 H new ATOM 0 HA LEU B 233 75.051 -12.849 7.350 1.00 0.00 H new ATOM 0 HB2 LEU B 233 74.034 -12.547 4.483 1.00 0.00 H new ATOM 0 HB3 LEU B 233 73.480 -13.819 5.554 1.00 0.00 H new ATOM 0 HG LEU B 233 73.389 -10.879 6.350 1.00 0.00 H new ATOM 0 HD11 LEU B 233 70.988 -10.946 5.690 1.00 0.00 H new ATOM 0 HD12 LEU B 233 72.043 -11.232 4.286 1.00 0.00 H new ATOM 0 HD13 LEU B 233 71.208 -12.597 5.064 1.00 0.00 H new ATOM 0 HD21 LEU B 233 71.690 -11.707 7.963 1.00 0.00 H new ATOM 0 HD22 LEU B 233 71.900 -13.360 7.337 1.00 0.00 H new ATOM 0 HD23 LEU B 233 73.241 -12.550 8.182 1.00 0.00 H new ATOM 1789 N ARG B 234 75.842 -15.119 6.368 1.00 0.00 N ATOM 1790 CA ARG B 234 76.626 -16.300 6.017 1.00 0.00 C ATOM 1791 C ARG B 234 76.680 -16.493 4.503 1.00 0.00 C ATOM 1792 O ARG B 234 75.678 -16.314 3.807 1.00 0.00 O ATOM 1793 CB ARG B 234 76.019 -17.538 6.667 1.00 0.00 C ATOM 1794 CG ARG B 234 76.198 -17.457 8.184 1.00 0.00 C ATOM 1795 CD ARG B 234 75.538 -18.671 8.836 1.00 0.00 C ATOM 1796 NE ARG B 234 75.706 -18.619 10.296 1.00 0.00 N ATOM 1797 CZ ARG B 234 75.076 -19.465 11.134 1.00 0.00 C ATOM 1798 NH1 ARG B 234 74.261 -20.396 10.691 1.00 0.00 N ATOM 1799 NH2 ARG B 234 75.279 -19.357 12.419 1.00 0.00 N ATOM 0 H ARG B 234 75.102 -15.287 7.049 1.00 0.00 H new ATOM 0 HA ARG B 234 77.642 -16.153 6.384 1.00 0.00 H new ATOM 0 HB2 ARG B 234 74.960 -17.610 6.418 1.00 0.00 H new ATOM 0 HB3 ARG B 234 76.499 -18.437 6.281 1.00 0.00 H new ATOM 0 HG2 ARG B 234 77.258 -17.426 8.435 1.00 0.00 H new ATOM 0 HG3 ARG B 234 75.753 -16.538 8.566 1.00 0.00 H new ATOM 0 HD2 ARG B 234 74.477 -18.695 8.586 1.00 0.00 H new ATOM 0 HD3 ARG B 234 75.979 -19.588 8.445 1.00 0.00 H new ATOM 0 HE ARG B 234 76.326 -17.912 10.691 1.00 0.00 H new ATOM 0 HH11 ARG B 234 74.092 -20.492 9.690 1.00 0.00 H new ATOM 0 HH12 ARG B 234 73.797 -21.023 11.349 1.00 0.00 H new ATOM 0 HH21 ARG B 234 75.908 -18.639 12.777 1.00 0.00 H new ATOM 0 HH22 ARG B 234 74.808 -19.991 13.065 1.00 0.00 H new ATOM 1813 N SER B 235 77.863 -16.856 4.012 1.00 0.00 N ATOM 1814 CA SER B 235 78.076 -17.079 2.581 1.00 0.00 C ATOM 1815 C SER B 235 79.189 -18.113 2.363 1.00 0.00 C ATOM 1816 O SER B 235 79.994 -18.005 1.428 1.00 0.00 O ATOM 1817 CB SER B 235 78.430 -15.756 1.894 1.00 0.00 C ATOM 1818 OG SER B 235 79.567 -15.190 2.526 1.00 0.00 O ATOM 0 H SER B 235 78.693 -17.003 4.586 1.00 0.00 H new ATOM 0 HA SER B 235 77.157 -17.467 2.142 1.00 0.00 H new ATOM 0 HB2 SER B 235 78.634 -15.925 0.837 1.00 0.00 H new ATOM 0 HB3 SER B 235 77.587 -15.067 1.950 1.00 0.00 H new ATOM 0 HG SER B 235 79.797 -14.344 2.088 1.00 0.00 H new ATOM 1824 N SER B 236 79.223 -19.120 3.238 1.00 0.00 N ATOM 1825 CA SER B 236 80.225 -20.176 3.146 1.00 0.00 C ATOM 1826 C SER B 236 80.140 -20.863 1.790 1.00 0.00 C ATOM 1827 O SER B 236 81.166 -21.204 1.197 1.00 0.00 O ATOM 1828 CB SER B 236 80.021 -21.200 4.260 1.00 0.00 C ATOM 1829 OG SER B 236 80.158 -20.556 5.518 1.00 0.00 O ATOM 0 H SER B 236 78.570 -19.224 4.014 1.00 0.00 H new ATOM 0 HA SER B 236 81.212 -19.728 3.256 1.00 0.00 H new ATOM 0 HB2 SER B 236 79.034 -21.654 4.176 1.00 0.00 H new ATOM 0 HB3 SER B 236 80.751 -22.005 4.169 1.00 0.00 H new ATOM 0 HG SER B 236 80.026 -21.210 6.236 1.00 0.00 H new ATOM 1835 N VAL B 237 78.908 -21.062 1.300 1.00 0.00 N ATOM 1836 CA VAL B 237 78.687 -21.705 0.006 1.00 0.00 C ATOM 1837 C VAL B 237 79.564 -21.054 -1.070 1.00 0.00 C ATOM 1838 O VAL B 237 79.799 -19.843 -1.043 1.00 0.00 O ATOM 1839 CB VAL B 237 77.192 -21.608 -0.379 1.00 0.00 C ATOM 1840 CG1 VAL B 237 76.770 -20.137 -0.527 1.00 0.00 C ATOM 1841 CG2 VAL B 237 76.944 -22.345 -1.704 1.00 0.00 C ATOM 0 H VAL B 237 78.053 -20.786 1.783 1.00 0.00 H new ATOM 0 HA VAL B 237 78.963 -22.757 0.080 1.00 0.00 H new ATOM 0 HB VAL B 237 76.601 -22.070 0.412 1.00 0.00 H new ATOM 0 HG11 VAL B 237 75.715 -20.087 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL B 237 76.927 -19.617 0.418 1.00 0.00 H new ATOM 0 HG13 VAL B 237 77.368 -19.664 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL B 237 75.889 -22.272 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL B 237 77.548 -21.892 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL B 237 77.219 -23.394 -1.594 1.00 0.00 H new ATOM 1851 N HIS B 238 80.035 -21.874 -2.007 1.00 0.00 N ATOM 1852 CA HIS B 238 80.880 -21.384 -3.089 1.00 0.00 C ATOM 1853 C HIS B 238 80.120 -21.438 -4.407 1.00 0.00 C ATOM 1854 O HIS B 238 79.131 -22.170 -4.532 1.00 0.00 O ATOM 1855 CB HIS B 238 82.150 -22.239 -3.184 1.00 0.00 C ATOM 1856 CG HIS B 238 83.290 -21.418 -3.727 1.00 0.00 C ATOM 1857 ND1 HIS B 238 83.996 -20.526 -2.936 1.00 0.00 N ATOM 1858 CD2 HIS B 238 83.848 -21.335 -4.979 1.00 0.00 C ATOM 1859 CE1 HIS B 238 84.930 -19.948 -3.712 1.00 0.00 C ATOM 1860 NE2 HIS B 238 84.885 -20.405 -4.967 1.00 0.00 N ATOM 0 H HIS B 238 79.846 -22.876 -2.038 1.00 0.00 H new ATOM 0 HA HIS B 238 81.159 -20.351 -2.883 1.00 0.00 H new ATOM 0 HB2 HIS B 238 82.409 -22.629 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS B 238 81.971 -23.098 -3.830 1.00 0.00 H new ATOM 0 HD2 HIS B 238 83.531 -21.904 -5.841 1.00 0.00 H new ATOM 0 HE1 HIS B 238 85.631 -19.205 -3.363 1.00 0.00 H new ATOM 0 HE2 HIS B 238 85.482 -20.132 -5.748 1.00 0.00 H new ATOM 1868 N LYS B 239 80.585 -20.658 -5.382 1.00 0.00 N ATOM 1869 CA LYS B 239 79.947 -20.611 -6.693 1.00 0.00 C ATOM 1870 C LYS B 239 80.007 -21.984 -7.365 1.00 0.00 C ATOM 1871 O LYS B 239 79.009 -22.455 -7.919 1.00 0.00 O ATOM 1872 CB LYS B 239 80.650 -19.572 -7.577 1.00 0.00 C ATOM 1873 CG LYS B 239 79.873 -19.393 -8.889 1.00 0.00 C ATOM 1874 CD LYS B 239 80.547 -18.324 -9.748 1.00 0.00 C ATOM 1875 CE LYS B 239 79.763 -18.151 -11.049 1.00 0.00 C ATOM 1876 NZ LYS B 239 78.493 -17.424 -10.769 1.00 0.00 N ATOM 0 H LYS B 239 81.400 -20.052 -5.287 1.00 0.00 H new ATOM 0 HA LYS B 239 78.902 -20.329 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS B 239 80.717 -18.620 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS B 239 81.670 -19.892 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS B 239 79.835 -20.338 -9.431 1.00 0.00 H new ATOM 0 HG3 LYS B 239 78.843 -19.106 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS B 239 80.588 -17.379 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS B 239 81.576 -18.612 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS B 239 80.359 -17.598 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS B 239 79.548 -19.125 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 78.075 -17.097 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 77.827 -18.062 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 78.689 -16.605 -10.159 1.00 0.00 H new ATOM 1890 N ARG B 240 81.185 -22.610 -7.314 1.00 0.00 N ATOM 1891 CA ARG B 240 81.382 -23.925 -7.923 1.00 0.00 C ATOM 1892 C ARG B 240 82.039 -24.875 -6.922 1.00 0.00 C ATOM 1893 O ARG B 240 81.629 -26.022 -6.868 1.00 0.00 O ATOM 1894 CB ARG B 240 82.259 -23.782 -9.175 1.00 0.00 C ATOM 1895 CG ARG B 240 82.372 -25.130 -9.902 1.00 0.00 C ATOM 1896 CD ARG B 240 83.296 -24.984 -11.111 1.00 0.00 C ATOM 1897 NE ARG B 240 82.689 -24.091 -12.106 1.00 0.00 N ATOM 1898 CZ ARG B 240 81.777 -24.514 -13.004 1.00 0.00 C ATOM 1899 NH1 ARG B 240 81.374 -25.764 -13.039 1.00 0.00 N ATOM 1900 NH2 ARG B 240 81.279 -23.661 -13.858 1.00 0.00 N ATOM 1901 OXT ARG B 240 82.939 -24.437 -6.223 1.00 0.00 O ATOM 0 H ARG B 240 82.014 -22.228 -6.858 1.00 0.00 H new ATOM 0 HA ARG B 240 80.415 -24.339 -8.209 1.00 0.00 H new ATOM 0 HB2 ARG B 240 81.831 -23.035 -9.844 1.00 0.00 H new ATOM 0 HB3 ARG B 240 83.251 -23.428 -8.894 1.00 0.00 H new ATOM 0 HG2 ARG B 240 82.761 -25.889 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG B 240 81.386 -25.465 -10.223 1.00 0.00 H new ATOM 0 HD2 ARG B 240 84.261 -24.587 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG B 240 83.484 -25.962 -11.555 1.00 0.00 H new ATOM 0 HE ARG B 240 82.969 -23.110 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG B 240 81.753 -26.441 -12.376 1.00 0.00 H new ATOM 0 HH12 ARG B 240 80.683 -26.058 -13.729 1.00 0.00 H new ATOM 0 HH21 ARG B 240 81.581 -22.687 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG B 240 80.588 -23.969 -14.542 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.986 -12.079 2.897 1.00 0.00 ZN