USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 TYR OH : rot -50:sc= 0.513 USER MOD Set 1.2: A 80 TYR OH : rot -39:sc= 0.948 USER MOD Set 2.1: A 26 THR OG1 : rot -31:sc= 1.22 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.02 K(o=2.2,f=-5.5!) USER MOD Single : A 12 MET CE :methyl -178:sc= -0.621 (180deg=-0.634) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 90:sc=-0.00382 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -132:sc=-0.00735 (180deg=-0.596) USER MOD Single : A 28 THR OG1 : rot 36:sc= 0.791 USER MOD Single : A 29 CYS SG : rot 23:sc= 0.121 USER MOD Single : A 34 ASN : amide:sc= -0.0525 K(o=-0.053,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0242 (180deg=-0.212) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 70:sc= 1.41 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.75 (180deg=1.66) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -124:sc= 0.401 USER MOD Single : A 54 HIS : no HD1:sc= -0.0871 K(o=-0.087,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.11) USER MOD Single : A 64 THR OG1 : rot 140:sc= 0.745 USER MOD Single : A 65 CYS SG : rot -130:sc= -0.688 USER MOD Single : A 66 SER OG : rot 33:sc= 0.0852 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.868 USER MOD Single : A 79 ASN : amide:sc= -0.0387 K(o=-0.039,f=-2.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -173:sc= -0.26 (180deg=-0.364) USER MOD Single : A 86 ASN : amide:sc= -1.82! C(o=-1.8!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 170:sc= 0.162 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0415 (180deg=-0.372) USER MOD Single : A 100 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.465 10.355 3.614 1.00 0.00 N ATOM 67 CA ALA A 7 -2.841 10.635 3.230 1.00 0.00 C ATOM 68 C ALA A 7 -3.485 11.637 4.183 1.00 0.00 C ATOM 69 O ALA A 7 -3.105 11.731 5.349 1.00 0.00 O ATOM 70 CB ALA A 7 -3.656 9.350 3.180 1.00 0.00 C ATOM 0 HA ALA A 7 -2.827 11.077 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.681 9.581 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.218 8.669 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.653 8.879 4.163 1.00 0.00 H new ATOM 76 N PRO A 8 -4.460 12.382 3.677 1.00 0.00 N ATOM 77 CA PRO A 8 -5.175 13.360 4.488 1.00 0.00 C ATOM 78 C PRO A 8 -5.765 12.720 5.736 1.00 0.00 C ATOM 79 O PRO A 8 -6.393 11.658 5.664 1.00 0.00 O ATOM 80 CB PRO A 8 -6.259 13.902 3.551 1.00 0.00 C ATOM 81 CG PRO A 8 -5.709 13.686 2.182 1.00 0.00 C ATOM 82 CD PRO A 8 -4.939 12.394 2.261 1.00 0.00 C ATOM 0 HA PRO A 8 -4.526 14.152 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.203 13.374 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.455 14.958 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.508 13.623 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.063 14.511 1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.570 11.533 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.110 12.373 1.553 1.00 0.00 H new ATOM 90 N PHE A 9 -5.562 13.359 6.882 1.00 0.00 N ATOM 91 CA PHE A 9 -6.124 12.885 8.138 1.00 0.00 C ATOM 92 C PHE A 9 -6.307 14.027 9.126 1.00 0.00 C ATOM 93 O PHE A 9 -5.351 14.711 9.486 1.00 0.00 O ATOM 94 CB PHE A 9 -5.230 11.802 8.746 1.00 0.00 C ATOM 95 CG PHE A 9 -5.689 11.323 10.094 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.735 10.419 10.206 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.077 11.777 11.252 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.158 9.979 11.446 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.497 11.338 12.493 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.539 10.438 12.590 1.00 0.00 C ATOM 0 H PHE A 9 -5.009 14.212 6.966 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.105 12.460 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.189 10.953 8.064 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.215 12.189 8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.224 10.055 9.315 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.262 12.482 11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.974 9.275 11.519 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.010 11.699 13.387 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.869 10.094 13.559 1.00 0.00 H new ATOM 110 N PHE A 10 -7.546 14.229 9.567 1.00 0.00 N ATOM 111 CA PHE A 10 -7.857 15.292 10.517 1.00 0.00 C ATOM 112 C PHE A 10 -7.277 14.987 11.893 1.00 0.00 C ATOM 113 O PHE A 10 -7.945 14.403 12.744 1.00 0.00 O ATOM 114 CB PHE A 10 -9.370 15.493 10.616 1.00 0.00 C ATOM 115 CG PHE A 10 -9.989 16.067 9.373 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.814 17.402 9.047 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.746 15.270 8.526 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.382 17.932 7.905 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.314 15.797 7.382 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.133 17.128 7.071 1.00 0.00 C ATOM 0 H PHE A 10 -8.350 13.670 9.281 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.401 16.212 10.152 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.841 14.535 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.585 16.154 11.456 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.226 18.036 9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.893 14.227 8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.239 18.975 7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.900 15.166 6.731 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.578 17.541 6.177 1.00 0.00 H new ATOM 130 N GLU A 11 -6.026 15.386 12.101 1.00 0.00 N ATOM 131 CA GLU A 11 -5.387 15.250 13.404 1.00 0.00 C ATOM 132 C GLU A 11 -6.076 16.117 14.452 1.00 0.00 C ATOM 133 O GLU A 11 -5.942 15.886 15.651 1.00 0.00 O ATOM 134 CB GLU A 11 -3.903 15.614 13.312 1.00 0.00 C ATOM 135 CG GLU A 11 -3.634 17.085 13.024 1.00 0.00 C ATOM 136 CD GLU A 11 -2.158 17.368 12.970 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.493 17.146 13.954 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.675 17.700 11.914 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.435 15.806 11.383 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.479 14.209 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.416 15.345 14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.441 15.012 12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.095 17.363 12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.097 17.700 13.796 1.00 0.00 H new ATOM 145 N MET A 12 -6.812 17.121 13.983 1.00 0.00 N ATOM 146 CA MET A 12 -7.690 17.896 14.856 1.00 0.00 C ATOM 147 C MET A 12 -9.029 18.171 14.180 1.00 0.00 C ATOM 148 O MET A 12 -9.100 18.906 13.197 1.00 0.00 O ATOM 149 CB MET A 12 -7.018 19.210 15.251 1.00 0.00 C ATOM 150 CG MET A 12 -7.835 20.074 16.200 1.00 0.00 C ATOM 151 SD MET A 12 -6.992 21.605 16.647 1.00 0.00 S ATOM 152 CE MET A 12 -7.217 22.565 15.153 1.00 0.00 C ATOM 0 H MET A 12 -6.818 17.417 13.007 1.00 0.00 H new ATOM 0 HA MET A 12 -7.877 17.310 15.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.058 18.987 15.717 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.808 19.783 14.348 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.791 20.313 15.735 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.053 19.507 17.105 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.718 23.528 15.261 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.789 22.027 14.307 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.281 22.725 14.980 1.00 0.00 H new ATOM 162 N LYS A 13 -10.090 17.578 14.720 1.00 0.00 N ATOM 163 CA LYS A 13 -11.388 17.582 14.059 1.00 0.00 C ATOM 164 C LYS A 13 -12.292 18.671 14.623 1.00 0.00 C ATOM 165 O LYS A 13 -12.005 19.244 15.674 1.00 0.00 O ATOM 166 CB LYS A 13 -12.062 16.216 14.197 1.00 0.00 C ATOM 167 CG LYS A 13 -11.319 15.076 13.511 1.00 0.00 C ATOM 168 CD LYS A 13 -12.050 13.754 13.688 1.00 0.00 C ATOM 169 CE LYS A 13 -11.345 12.627 12.948 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.069 11.334 13.080 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.075 17.088 15.615 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.223 17.791 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.166 15.981 15.256 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.069 16.278 13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.213 15.296 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.313 14.995 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.114 13.511 14.749 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.072 13.849 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.256 12.886 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.332 12.517 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.555 10.594 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.132 11.073 14.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.027 11.431 12.687 1.00 0.00 H new ATOM 184 N LEU A 14 -13.381 18.956 13.918 1.00 0.00 N ATOM 185 CA LEU A 14 -14.365 19.924 14.382 1.00 0.00 C ATOM 186 C LEU A 14 -15.336 19.292 15.370 1.00 0.00 C ATOM 187 O LEU A 14 -15.350 18.075 15.551 1.00 0.00 O ATOM 188 CB LEU A 14 -15.126 20.518 13.191 1.00 0.00 C ATOM 189 CG LEU A 14 -14.264 21.290 12.184 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.112 21.725 10.996 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.639 22.496 12.870 1.00 0.00 C ATOM 0 H LEU A 14 -13.604 18.528 13.020 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.835 20.724 14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.634 19.710 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.899 21.186 13.571 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.468 20.643 11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.491 22.272 10.287 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.532 20.846 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.921 22.369 11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.026 23.045 12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.426 23.148 13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.016 22.161 13.699 1.00 0.00 H new ATOM 203 N LYS A 15 -16.150 20.127 16.007 1.00 0.00 N ATOM 204 CA LYS A 15 -17.167 19.647 16.935 1.00 0.00 C ATOM 205 C LYS A 15 -18.501 20.341 16.701 1.00 0.00 C ATOM 206 O LYS A 15 -18.621 21.191 15.819 1.00 0.00 O ATOM 207 CB LYS A 15 -16.713 19.856 18.381 1.00 0.00 C ATOM 208 CG LYS A 15 -16.504 21.313 18.770 1.00 0.00 C ATOM 209 CD LYS A 15 -15.999 21.438 20.200 1.00 0.00 C ATOM 210 CE LYS A 15 -15.853 22.895 20.611 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.372 23.033 22.013 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.125 21.141 15.897 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.303 18.580 16.756 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.454 19.417 19.049 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.781 19.313 18.538 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.789 21.774 18.088 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.442 21.858 18.665 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.690 20.935 20.877 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.037 20.934 20.293 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.156 23.394 19.938 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.814 23.399 20.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.286 24.041 22.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.050 22.580 22.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.443 22.574 22.108 1.00 0.00 H new ATOM 225 N HIS A 16 -19.502 19.974 17.496 1.00 0.00 N ATOM 226 CA HIS A 16 -20.807 20.620 17.429 1.00 0.00 C ATOM 227 C HIS A 16 -20.751 22.030 18.004 1.00 0.00 C ATOM 228 O HIS A 16 -20.580 22.213 19.211 1.00 0.00 O ATOM 229 CB HIS A 16 -21.861 19.792 18.172 1.00 0.00 C ATOM 230 CG HIS A 16 -23.250 20.335 18.046 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.325 19.791 18.717 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.742 21.371 17.327 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.418 20.471 18.416 1.00 0.00 C ATOM 234 NE2 HIS A 16 -25.090 21.434 17.574 1.00 0.00 N ATOM 0 H HIS A 16 -19.434 19.233 18.193 1.00 0.00 H new ATOM 0 HA HIS A 16 -21.090 20.687 16.378 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.843 18.771 17.791 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.594 19.743 19.228 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.283 18.990 19.347 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.178 22.026 16.679 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.410 20.273 18.794 1.00 0.00 H new ATOM 242 N TYR A 17 -20.902 23.025 17.137 1.00 0.00 N ATOM 243 CA TYR A 17 -20.809 24.420 17.546 1.00 0.00 C ATOM 244 C TYR A 17 -22.191 25.039 17.719 1.00 0.00 C ATOM 245 O TYR A 17 -23.127 24.695 16.998 1.00 0.00 O ATOM 246 CB TYR A 17 -19.998 25.223 16.527 1.00 0.00 C ATOM 247 CG TYR A 17 -18.581 24.727 16.344 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.627 24.919 17.333 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.199 24.072 15.182 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.332 24.469 17.172 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.906 23.617 15.011 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.975 23.818 16.009 1.00 0.00 C ATOM 253 OH TYR A 17 -14.684 23.368 15.843 1.00 0.00 O ATOM 0 H TYR A 17 -21.090 22.890 16.144 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.300 24.451 18.509 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.510 25.193 15.565 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.970 26.266 16.841 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.902 25.429 18.244 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.925 23.915 14.398 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.602 24.626 17.952 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.626 23.107 14.101 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.610 22.453 16.186 1.00 0.00 H new ATOM 263 N LYS A 18 -22.309 25.953 18.676 1.00 0.00 N ATOM 264 CA LYS A 18 -23.566 26.650 18.915 1.00 0.00 C ATOM 265 C LYS A 18 -23.343 28.150 19.077 1.00 0.00 C ATOM 266 O LYS A 18 -22.390 28.578 19.723 1.00 0.00 O ATOM 267 CB LYS A 18 -24.265 26.085 20.152 1.00 0.00 C ATOM 268 CG LYS A 18 -24.748 24.649 20.000 1.00 0.00 C ATOM 269 CD LYS A 18 -25.510 24.188 21.233 1.00 0.00 C ATOM 270 CE LYS A 18 -25.959 22.740 21.098 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.705 22.274 22.299 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.549 26.228 19.298 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.205 26.493 18.046 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.579 26.137 20.998 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.118 26.719 20.394 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.390 24.570 19.123 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.895 23.992 19.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.877 24.294 22.114 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.379 24.828 21.386 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.591 22.637 20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.088 22.103 20.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.993 21.283 22.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.094 22.348 23.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.550 22.865 22.434 1.00 0.00 H new ATOM 285 N ILE A 19 -24.232 28.941 18.486 1.00 0.00 N ATOM 286 CA ILE A 19 -24.121 30.395 18.545 1.00 0.00 C ATOM 287 C ILE A 19 -25.491 31.052 18.473 1.00 0.00 C ATOM 288 O ILE A 19 -26.427 30.506 17.890 1.00 0.00 O ATOM 289 CB ILE A 19 -23.241 30.943 17.406 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.819 32.384 17.703 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.977 30.862 16.078 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.841 32.510 18.849 1.00 0.00 C ATOM 0 H ILE A 19 -25.037 28.601 17.961 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.653 30.636 19.500 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.343 30.330 17.337 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.371 32.814 16.807 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.707 32.973 17.929 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.340 31.253 15.285 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.227 29.823 15.863 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.892 31.451 16.133 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.589 33.560 18.999 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.292 32.112 19.758 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.935 31.949 18.618 1.00 0.00 H new ATOM 304 N PHE A 20 -25.606 32.237 19.072 1.00 0.00 N ATOM 305 CA PHE A 20 -26.807 33.051 18.937 1.00 0.00 C ATOM 306 C PHE A 20 -26.793 33.847 17.641 1.00 0.00 C ATOM 307 O PHE A 20 -25.750 34.348 17.220 1.00 0.00 O ATOM 308 CB PHE A 20 -26.950 33.993 20.133 1.00 0.00 C ATOM 309 CG PHE A 20 -27.419 33.314 21.387 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.746 32.943 21.539 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.532 33.045 22.419 1.00 0.00 C ATOM 312 CE1 PHE A 20 -29.179 32.319 22.692 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.962 32.419 23.575 1.00 0.00 C ATOM 314 CZ PHE A 20 -28.285 32.057 23.712 1.00 0.00 C ATOM 0 H PHE A 20 -24.880 32.652 19.655 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.664 32.378 18.911 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.988 34.468 20.326 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.652 34.787 19.877 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.450 33.145 20.745 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.494 33.327 22.319 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -30.216 32.036 22.796 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -26.261 32.214 24.371 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.622 31.570 24.615 1.00 0.00 H new ATOM 324 N GLU A 21 -27.958 33.964 17.012 1.00 0.00 N ATOM 325 CA GLU A 21 -28.068 34.642 15.725 1.00 0.00 C ATOM 326 C GLU A 21 -27.471 36.041 15.782 1.00 0.00 C ATOM 327 O GLU A 21 -27.848 36.855 16.626 1.00 0.00 O ATOM 328 CB GLU A 21 -29.530 34.712 15.281 1.00 0.00 C ATOM 329 CG GLU A 21 -30.381 35.696 16.072 1.00 0.00 C ATOM 330 CD GLU A 21 -31.770 35.795 15.506 1.00 0.00 C ATOM 331 OE1 GLU A 21 -31.897 36.053 14.333 1.00 0.00 O ATOM 332 OE2 GLU A 21 -32.702 35.502 16.217 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.839 33.598 17.372 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.502 34.062 14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -29.564 34.987 14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -29.971 33.719 15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -30.432 35.380 17.114 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.910 36.679 16.060 1.00 0.00 H new ATOM 339 N GLY A 22 -26.533 36.314 14.881 1.00 0.00 N ATOM 340 CA GLY A 22 -25.978 37.656 14.740 1.00 0.00 C ATOM 341 C GLY A 22 -24.560 37.726 15.299 1.00 0.00 C ATOM 342 O GLY A 22 -23.813 38.660 15.006 1.00 0.00 O ATOM 0 H GLY A 22 -26.142 35.625 14.238 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.972 37.942 13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.613 38.372 15.261 1.00 0.00 H new ATOM 346 N MET A 23 -24.200 36.735 16.105 1.00 0.00 N ATOM 347 CA MET A 23 -22.897 36.718 16.762 1.00 0.00 C ATOM 348 C MET A 23 -21.839 36.090 15.870 1.00 0.00 C ATOM 349 O MET A 23 -22.148 35.265 15.009 1.00 0.00 O ATOM 350 CB MET A 23 -22.982 35.965 18.089 1.00 0.00 C ATOM 351 CG MET A 23 -23.966 36.560 19.087 1.00 0.00 C ATOM 352 SD MET A 23 -23.519 38.233 19.591 1.00 0.00 S ATOM 353 CE MET A 23 -22.074 37.908 20.597 1.00 0.00 C ATOM 0 H MET A 23 -24.791 35.932 16.320 1.00 0.00 H new ATOM 0 HA MET A 23 -22.606 37.750 16.957 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.266 34.932 17.889 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.992 35.941 18.544 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.963 36.572 18.646 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.015 35.920 19.968 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.158 38.448 21.540 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.002 36.839 20.796 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.180 38.239 20.068 1.00 0.00 H new ATOM 363 N PRO A 24 -20.586 36.481 16.079 1.00 0.00 N ATOM 364 CA PRO A 24 -19.476 35.940 15.306 1.00 0.00 C ATOM 365 C PRO A 24 -19.136 34.521 15.749 1.00 0.00 C ATOM 366 O PRO A 24 -19.364 34.148 16.898 1.00 0.00 O ATOM 367 CB PRO A 24 -18.325 36.914 15.568 1.00 0.00 C ATOM 368 CG PRO A 24 -18.599 37.457 16.929 1.00 0.00 C ATOM 369 CD PRO A 24 -20.100 37.543 17.029 1.00 0.00 C ATOM 0 HA PRO A 24 -19.704 35.857 14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.360 36.408 15.529 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.299 37.708 14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.190 36.806 17.702 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.139 38.436 17.061 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.444 37.357 18.046 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.464 38.530 16.745 1.00 0.00 H new ATOM 377 N VAL A 25 -18.588 33.732 14.826 1.00 0.00 N ATOM 378 CA VAL A 25 -18.197 32.361 15.128 1.00 0.00 C ATOM 379 C VAL A 25 -16.815 32.049 14.566 1.00 0.00 C ATOM 380 O VAL A 25 -16.546 32.282 13.387 1.00 0.00 O ATOM 381 CB VAL A 25 -19.212 31.348 14.565 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.795 29.927 14.913 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.607 31.638 15.099 1.00 0.00 C ATOM 0 H VAL A 25 -18.406 34.021 13.865 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.173 32.270 16.214 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.231 31.447 13.480 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.523 29.225 14.508 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.814 29.720 14.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.748 29.816 15.996 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.311 30.913 14.691 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.602 31.567 16.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.908 32.643 14.803 1.00 0.00 H new ATOM 393 N THR A 26 -15.942 31.519 15.415 1.00 0.00 N ATOM 394 CA THR A 26 -14.587 31.167 15.003 1.00 0.00 C ATOM 395 C THR A 26 -14.256 29.725 15.375 1.00 0.00 C ATOM 396 O THR A 26 -14.429 29.317 16.526 1.00 0.00 O ATOM 397 CB THR A 26 -13.540 32.101 15.636 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.825 33.457 15.271 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.142 31.735 15.163 1.00 0.00 C ATOM 0 H THR A 26 -16.148 31.323 16.395 1.00 0.00 H new ATOM 0 HA THR A 26 -14.551 31.279 13.919 1.00 0.00 H new ATOM 0 HB THR A 26 -13.585 31.991 16.720 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.237 33.477 14.382 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.416 32.406 15.621 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.918 30.708 15.450 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.089 31.829 14.078 1.00 0.00 H new ATOM 407 N PHE A 27 -13.784 28.962 14.399 1.00 0.00 N ATOM 408 CA PHE A 27 -13.272 27.620 14.656 1.00 0.00 C ATOM 409 C PHE A 27 -12.282 27.193 13.576 1.00 0.00 C ATOM 410 O PHE A 27 -12.202 27.813 12.517 1.00 0.00 O ATOM 411 CB PHE A 27 -14.423 26.616 14.741 1.00 0.00 C ATOM 412 CG PHE A 27 -15.358 26.663 13.566 1.00 0.00 C ATOM 413 CD1 PHE A 27 -15.130 25.875 12.448 1.00 0.00 C ATOM 414 CD2 PHE A 27 -16.466 27.497 13.575 1.00 0.00 C ATOM 415 CE1 PHE A 27 -15.989 25.918 11.366 1.00 0.00 C ATOM 416 CE2 PHE A 27 -17.326 27.542 12.496 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.088 26.752 11.390 1.00 0.00 C ATOM 0 H PHE A 27 -13.744 29.248 13.421 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.748 27.639 15.611 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.010 25.611 14.825 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -14.990 26.804 15.652 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.271 25.220 12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.658 28.119 14.437 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -15.800 25.299 10.502 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -18.185 28.196 12.518 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.760 26.786 10.545 1.00 0.00 H new ATOM 427 N THR A 28 -11.532 26.134 13.855 1.00 0.00 N ATOM 428 CA THR A 28 -10.411 25.745 13.011 1.00 0.00 C ATOM 429 C THR A 28 -10.202 24.237 13.028 1.00 0.00 C ATOM 430 O THR A 28 -10.667 23.548 13.937 1.00 0.00 O ATOM 431 CB THR A 28 -9.107 26.438 13.450 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.054 26.106 12.535 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.715 25.997 14.851 1.00 0.00 C ATOM 0 H THR A 28 -11.681 25.528 14.662 1.00 0.00 H new ATOM 0 HA THR A 28 -10.658 26.061 11.998 1.00 0.00 H new ATOM 0 HB THR A 28 -9.269 27.516 13.452 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.418 26.042 11.627 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.792 26.496 15.145 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.508 26.260 15.551 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.563 24.918 14.864 1.00 0.00 H new ATOM 441 N CYS A 29 -9.496 23.726 12.024 1.00 0.00 N ATOM 442 CA CYS A 29 -9.273 22.294 11.893 1.00 0.00 C ATOM 443 C CYS A 29 -7.916 22.004 11.265 1.00 0.00 C ATOM 444 O CYS A 29 -7.477 22.714 10.359 1.00 0.00 O ATOM 445 CB CYS A 29 -10.402 21.861 10.957 1.00 0.00 C ATOM 446 SG CYS A 29 -10.575 20.070 10.770 1.00 0.00 S ATOM 0 H CYS A 29 -9.068 24.287 11.287 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.272 21.771 12.850 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.342 22.267 11.330 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.232 22.302 9.975 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.052 19.474 11.800 1.00 0.00 H new ATOM 452 N ARG A 30 -7.255 20.959 11.747 1.00 0.00 N ATOM 453 CA ARG A 30 -5.874 20.683 11.371 1.00 0.00 C ATOM 454 C ARG A 30 -5.743 19.301 10.734 1.00 0.00 C ATOM 455 O ARG A 30 -6.350 18.334 11.194 1.00 0.00 O ATOM 456 CB ARG A 30 -4.917 20.853 12.542 1.00 0.00 C ATOM 457 CG ARG A 30 -3.444 20.723 12.187 1.00 0.00 C ATOM 458 CD ARG A 30 -2.517 20.969 13.322 1.00 0.00 C ATOM 459 NE ARG A 30 -2.448 22.354 13.755 1.00 0.00 N ATOM 460 CZ ARG A 30 -1.949 22.763 14.938 1.00 0.00 C ATOM 461 NH1 ARG A 30 -1.510 21.896 15.823 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 -1.935 24.059 15.196 1.00 0.00 N ATOM 0 H ARG A 30 -7.655 20.286 12.401 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.589 21.423 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.083 21.833 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.160 20.110 13.302 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.264 19.722 11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.212 21.424 11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.825 20.353 14.166 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.518 20.641 13.036 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.802 23.068 13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.544 20.897 15.619 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.135 22.222 16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.296 24.720 14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.563 24.398 16.083 1.00 0.00 H new ATOM 476 N VAL A 31 -4.948 19.220 9.673 1.00 0.00 N ATOM 477 CA VAL A 31 -4.831 17.991 8.898 1.00 0.00 C ATOM 478 C VAL A 31 -3.378 17.540 8.789 1.00 0.00 C ATOM 479 O VAL A 31 -2.517 18.301 8.351 1.00 0.00 O ATOM 480 CB VAL A 31 -5.413 18.159 7.481 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.255 16.874 6.684 1.00 0.00 C ATOM 482 CG2 VAL A 31 -6.876 18.565 7.552 1.00 0.00 C ATOM 0 H VAL A 31 -4.375 19.991 9.330 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.404 17.231 9.430 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.860 18.949 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.672 17.011 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.197 16.623 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.783 16.065 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.271 18.679 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.442 17.796 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.966 19.511 8.086 1.00 0.00 H new ATOM 492 N ALA A 32 -3.118 16.302 9.191 1.00 0.00 N ATOM 493 CA ALA A 32 -1.778 15.734 9.096 1.00 0.00 C ATOM 494 C ALA A 32 -1.540 15.104 7.728 1.00 0.00 C ATOM 495 O ALA A 32 -1.361 13.892 7.616 1.00 0.00 O ATOM 496 CB ALA A 32 -1.558 14.711 10.200 1.00 0.00 C ATOM 0 H ALA A 32 -3.816 15.672 9.586 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.059 16.544 9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.554 14.296 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.671 15.193 11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.291 13.910 10.105 1.00 0.00 H new ATOM 502 N GLY A 33 -1.548 15.934 6.693 1.00 0.00 N ATOM 503 CA GLY A 33 -1.313 15.465 5.332 1.00 0.00 C ATOM 504 C GLY A 33 0.057 15.895 4.829 1.00 0.00 C ATOM 505 O GLY A 33 0.616 16.888 5.294 1.00 0.00 O ATOM 0 H GLY A 33 -1.715 16.937 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.390 14.378 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.085 15.858 4.671 1.00 0.00 H new ATOM 509 N ASN A 34 0.596 15.144 3.866 1.00 0.00 N ATOM 510 CA ASN A 34 1.901 15.454 3.290 1.00 0.00 C ATOM 511 C ASN A 34 2.031 14.872 1.902 1.00 0.00 C ATOM 512 O ASN A 34 2.155 13.658 1.728 1.00 0.00 O ATOM 513 CB ASN A 34 3.022 14.911 4.222 1.00 0.00 C ATOM 514 CG ASN A 34 4.457 15.349 3.909 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.796 15.718 2.795 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.351 15.304 4.860 1.00 0.00 N ATOM 0 H ASN A 34 0.147 14.318 3.471 1.00 0.00 H new ATOM 0 HA ASN A 34 2.001 16.536 3.204 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.790 15.213 5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.987 13.822 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.315 15.575 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.085 14.998 5.796 1.00 0.00 H new ATOM 523 N PRO A 35 2.031 15.747 0.899 1.00 0.00 N ATOM 524 CA PRO A 35 2.023 17.184 1.140 1.00 0.00 C ATOM 525 C PRO A 35 0.648 17.659 1.596 1.00 0.00 C ATOM 526 O PRO A 35 -0.327 16.911 1.535 1.00 0.00 O ATOM 527 CB PRO A 35 2.425 17.791 -0.206 1.00 0.00 C ATOM 528 CG PRO A 35 1.995 16.779 -1.214 1.00 0.00 C ATOM 529 CD PRO A 35 2.206 15.444 -0.554 1.00 0.00 C ATOM 0 HA PRO A 35 2.702 17.482 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.934 18.750 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.499 17.970 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.950 16.920 -1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.581 16.862 -2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.483 14.705 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.198 15.043 -0.765 1.00 0.00 H new ATOM 537 N LYS A 36 0.582 18.906 2.054 1.00 0.00 N ATOM 538 CA LYS A 36 -0.679 19.489 2.499 1.00 0.00 C ATOM 539 C LYS A 36 -1.759 19.337 1.434 1.00 0.00 C ATOM 540 O LYS A 36 -1.596 19.788 0.301 1.00 0.00 O ATOM 541 CB LYS A 36 -0.493 20.965 2.854 1.00 0.00 C ATOM 542 CG LYS A 36 -1.745 21.646 3.390 1.00 0.00 C ATOM 543 CD LYS A 36 -1.479 23.104 3.731 1.00 0.00 C ATOM 544 CE LYS A 36 -2.749 23.808 4.186 1.00 0.00 C ATOM 545 NZ LYS A 36 -3.752 23.910 3.092 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.385 19.531 2.126 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.000 18.951 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.299 21.050 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.155 21.500 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.541 21.583 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.095 21.121 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.726 23.164 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.071 23.615 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.183 23.266 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.501 24.807 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.491 24.591 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.284 24.233 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.183 22.978 2.928 1.00 0.00 H new ATOM 559 N PRO A 37 -2.864 18.700 1.808 1.00 0.00 N ATOM 560 CA PRO A 37 -3.990 18.526 0.900 1.00 0.00 C ATOM 561 C PRO A 37 -4.559 19.868 0.463 1.00 0.00 C ATOM 562 O PRO A 37 -4.308 20.897 1.093 1.00 0.00 O ATOM 563 CB PRO A 37 -5.001 17.709 1.709 1.00 0.00 C ATOM 564 CG PRO A 37 -4.186 17.060 2.775 1.00 0.00 C ATOM 565 CD PRO A 37 -3.106 18.053 3.112 1.00 0.00 C ATOM 0 HA PRO A 37 -3.710 18.025 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.777 18.346 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.503 16.968 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.795 16.829 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.760 16.119 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.431 18.768 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.210 17.566 3.498 1.00 0.00 H new ATOM 573 N LYS A 38 -5.330 19.858 -0.622 1.00 0.00 N ATOM 574 CA LYS A 38 -6.022 21.052 -1.080 1.00 0.00 C ATOM 575 C LYS A 38 -7.269 21.327 -0.250 1.00 0.00 C ATOM 576 O LYS A 38 -8.391 21.181 -0.729 1.00 0.00 O ATOM 577 CB LYS A 38 -6.392 20.919 -2.558 1.00 0.00 C ATOM 578 CG LYS A 38 -5.199 20.833 -3.500 1.00 0.00 C ATOM 579 CD LYS A 38 -5.644 20.784 -4.954 1.00 0.00 C ATOM 580 CE LYS A 38 -4.453 20.683 -5.896 1.00 0.00 C ATOM 581 NZ LYS A 38 -4.875 20.618 -7.322 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.489 19.032 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.344 21.896 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.006 20.028 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.005 21.773 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.548 21.694 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.612 19.944 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.303 19.929 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.221 21.678 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.801 21.544 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.870 19.796 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.034 20.550 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.477 19.782 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.410 21.476 -7.565 1.00 0.00 H new ATOM 595 N ILE A 39 -7.061 21.717 1.006 1.00 0.00 N ATOM 596 CA ILE A 39 -8.153 21.837 1.961 1.00 0.00 C ATOM 597 C ILE A 39 -9.053 23.018 1.619 1.00 0.00 C ATOM 598 O ILE A 39 -8.576 24.110 1.311 1.00 0.00 O ATOM 599 CB ILE A 39 -7.630 22.003 3.400 1.00 0.00 C ATOM 600 CG1 ILE A 39 -6.813 20.776 3.815 1.00 0.00 C ATOM 601 CG2 ILE A 39 -8.785 22.227 4.363 1.00 0.00 C ATOM 602 CD1 ILE A 39 -5.964 20.997 5.046 1.00 0.00 C ATOM 0 H ILE A 39 -6.144 21.955 1.383 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.729 20.914 1.899 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.980 22.878 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.492 19.944 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.167 20.484 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.398 22.342 5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.327 23.128 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.459 21.371 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.415 20.084 5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.259 21.808 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.605 21.259 5.888 1.00 0.00 H new ATOM 614 N TYR A 40 -10.365 22.793 1.676 1.00 0.00 N ATOM 615 CA TYR A 40 -11.335 23.847 1.416 1.00 0.00 C ATOM 616 C TYR A 40 -12.589 23.664 2.264 1.00 0.00 C ATOM 617 O TYR A 40 -12.808 22.598 2.839 1.00 0.00 O ATOM 618 CB TYR A 40 -11.705 23.877 -0.070 1.00 0.00 C ATOM 619 CG TYR A 40 -12.499 22.674 -0.528 1.00 0.00 C ATOM 620 CD1 TYR A 40 -11.862 21.488 -0.865 1.00 0.00 C ATOM 621 CD2 TYR A 40 -13.882 22.728 -0.626 1.00 0.00 C ATOM 622 CE1 TYR A 40 -12.581 20.387 -1.284 1.00 0.00 C ATOM 623 CE2 TYR A 40 -14.612 21.631 -1.044 1.00 0.00 C ATOM 624 CZ TYR A 40 -13.957 20.462 -1.373 1.00 0.00 C ATOM 625 OH TYR A 40 -14.678 19.368 -1.792 1.00 0.00 O ATOM 0 H TYR A 40 -10.778 21.888 1.901 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.876 24.798 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.282 24.779 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -10.791 23.943 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.786 21.426 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.397 23.643 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.070 19.471 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -15.688 21.689 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.645 18.671 -1.104 1.00 0.00 H new ATOM 635 N TRP A 41 -13.408 24.704 2.334 1.00 0.00 N ATOM 636 CA TRP A 41 -14.634 24.664 3.126 1.00 0.00 C ATOM 637 C TRP A 41 -15.866 24.742 2.236 1.00 0.00 C ATOM 638 O TRP A 41 -15.837 25.342 1.162 1.00 0.00 O ATOM 639 CB TRP A 41 -14.651 25.806 4.144 1.00 0.00 C ATOM 640 CG TRP A 41 -13.523 25.746 5.129 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.236 26.144 4.920 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.580 25.262 6.476 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.487 25.937 6.051 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.292 25.396 7.022 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.600 24.727 7.273 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -11.992 25.018 8.321 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.300 24.348 8.576 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.034 24.490 9.086 1.00 0.00 C ATOM 0 H TRP A 41 -13.247 25.588 1.852 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.656 23.713 3.658 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.608 26.757 3.612 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.597 25.786 4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.860 26.562 3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.495 26.150 6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.600 24.611 6.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -10.996 25.127 8.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.079 23.934 9.199 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.839 24.186 10.104 1.00 0.00 H new ATOM 659 N PHE A 42 -16.954 24.125 2.690 1.00 0.00 N ATOM 660 CA PHE A 42 -18.254 24.295 2.053 1.00 0.00 C ATOM 661 C PHE A 42 -19.389 24.103 3.051 1.00 0.00 C ATOM 662 O PHE A 42 -19.286 23.291 3.969 1.00 0.00 O ATOM 663 CB PHE A 42 -18.408 23.318 0.886 1.00 0.00 C ATOM 664 CG PHE A 42 -18.258 21.876 1.279 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.002 21.304 1.407 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.375 21.090 1.523 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.862 19.977 1.768 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.238 19.762 1.886 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.982 19.207 2.008 1.00 0.00 C ATOM 0 H PHE A 42 -16.959 23.502 3.498 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.307 25.315 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.388 23.461 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.666 23.556 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.122 21.902 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.362 21.519 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.877 19.543 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.115 19.160 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.874 18.170 2.291 1.00 0.00 H new ATOM 679 N LYS A 43 -20.466 24.855 2.863 1.00 0.00 N ATOM 680 CA LYS A 43 -21.578 24.852 3.808 1.00 0.00 C ATOM 681 C LYS A 43 -22.809 24.185 3.209 1.00 0.00 C ATOM 682 O LYS A 43 -23.439 24.723 2.301 1.00 0.00 O ATOM 683 CB LYS A 43 -21.914 26.278 4.245 1.00 0.00 C ATOM 684 CG LYS A 43 -22.847 26.364 5.447 1.00 0.00 C ATOM 685 CD LYS A 43 -24.300 26.471 5.011 1.00 0.00 C ATOM 686 CE LYS A 43 -25.205 26.820 6.184 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.638 26.542 5.885 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.594 25.476 2.064 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.270 24.277 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.987 26.801 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.371 26.804 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.717 25.482 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.582 27.230 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.394 27.233 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.620 25.527 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.900 26.248 7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.085 27.874 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.203 26.664 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.975 27.202 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.738 25.566 5.541 1.00 0.00 H new ATOM 701 N ASP A 44 -23.146 23.005 3.721 1.00 0.00 N ATOM 702 CA ASP A 44 -24.259 22.228 3.189 1.00 0.00 C ATOM 703 C ASP A 44 -24.117 22.025 1.686 1.00 0.00 C ATOM 704 O ASP A 44 -25.111 21.977 0.961 1.00 0.00 O ATOM 705 CB ASP A 44 -25.591 22.913 3.505 1.00 0.00 C ATOM 706 CG ASP A 44 -25.974 22.893 4.977 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.332 22.200 5.730 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.800 23.684 5.367 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.663 22.566 4.505 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.243 21.249 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.542 23.949 3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.380 22.429 2.930 1.00 0.00 H new ATOM 713 N GLY A 45 -22.880 21.906 1.221 1.00 0.00 N ATOM 714 CA GLY A 45 -22.610 21.630 -0.183 1.00 0.00 C ATOM 715 C GLY A 45 -22.302 22.913 -0.946 1.00 0.00 C ATOM 716 O GLY A 45 -22.033 22.883 -2.145 1.00 0.00 O ATOM 0 H GLY A 45 -22.045 21.997 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.768 20.943 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.471 21.135 -0.631 1.00 0.00 H new ATOM 720 N LYS A 46 -22.343 24.039 -0.239 1.00 0.00 N ATOM 721 CA LYS A 46 -22.095 25.338 -0.856 1.00 0.00 C ATOM 722 C LYS A 46 -20.646 25.767 -0.665 1.00 0.00 C ATOM 723 O LYS A 46 -20.270 26.262 0.397 1.00 0.00 O ATOM 724 CB LYS A 46 -23.038 26.395 -0.278 1.00 0.00 C ATOM 725 CG LYS A 46 -24.516 26.117 -0.516 1.00 0.00 C ATOM 726 CD LYS A 46 -25.392 27.162 0.158 1.00 0.00 C ATOM 727 CE LYS A 46 -26.867 26.911 -0.116 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.728 27.993 0.433 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.545 24.078 0.760 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.285 25.243 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.864 26.472 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.788 27.363 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.718 26.106 -1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.768 25.128 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.213 27.150 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.118 28.154 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.027 26.830 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.160 25.957 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.725 27.783 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.595 28.054 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.467 28.900 -0.004 1.00 0.00 H new ATOM 742 N GLN A 47 -19.835 25.578 -1.699 1.00 0.00 N ATOM 743 CA GLN A 47 -18.414 25.893 -1.629 1.00 0.00 C ATOM 744 C GLN A 47 -18.190 27.317 -1.140 1.00 0.00 C ATOM 745 O GLN A 47 -18.790 28.263 -1.653 1.00 0.00 O ATOM 746 CB GLN A 47 -17.755 25.708 -2.999 1.00 0.00 C ATOM 747 CG GLN A 47 -16.246 25.882 -2.992 1.00 0.00 C ATOM 748 CD GLN A 47 -15.631 25.639 -4.357 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.339 25.412 -5.342 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.305 25.682 -4.422 1.00 0.00 N ATOM 0 H GLN A 47 -20.139 25.207 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.958 25.206 -0.916 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.993 24.712 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.189 26.423 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.001 26.891 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.807 25.193 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.759 25.873 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.833 25.524 -5.312 1.00 0.00 H new ATOM 759 N ILE A 48 -17.324 27.467 -0.143 1.00 0.00 N ATOM 760 CA ILE A 48 -17.056 28.769 0.454 1.00 0.00 C ATOM 761 C ILE A 48 -15.776 29.376 -0.102 1.00 0.00 C ATOM 762 O ILE A 48 -14.712 28.760 -0.053 1.00 0.00 O ATOM 763 CB ILE A 48 -16.945 28.676 1.987 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.261 28.175 2.587 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.568 30.027 2.575 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.168 27.824 4.054 1.00 0.00 C ATOM 0 H ILE A 48 -16.794 26.699 0.269 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.899 29.411 0.199 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.160 27.962 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -19.025 28.941 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.591 27.296 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.494 29.944 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.608 30.345 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.332 30.761 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.139 27.477 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.428 27.036 4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.869 28.706 4.621 1.00 0.00 H new ATOM 778 N SER A 49 -15.879 30.593 -0.625 1.00 0.00 N ATOM 779 CA SER A 49 -14.710 31.339 -1.071 1.00 0.00 C ATOM 780 C SER A 49 -14.083 32.121 0.075 1.00 0.00 C ATOM 781 O SER A 49 -14.779 32.799 0.831 1.00 0.00 O ATOM 782 CB SER A 49 -15.091 32.276 -2.202 1.00 0.00 C ATOM 783 OG SER A 49 -14.024 33.100 -2.584 1.00 0.00 O ATOM 0 H SER A 49 -16.764 31.084 -0.750 1.00 0.00 H new ATOM 0 HA SER A 49 -13.970 30.625 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.423 31.692 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.933 32.894 -1.892 1.00 0.00 H new ATOM 0 HG SER A 49 -14.309 33.687 -3.315 1.00 0.00 H new ATOM 789 N PRO A 50 -12.763 32.019 0.201 1.00 0.00 N ATOM 790 CA PRO A 50 -12.037 32.729 1.248 1.00 0.00 C ATOM 791 C PRO A 50 -12.324 34.225 1.200 1.00 0.00 C ATOM 792 O PRO A 50 -12.417 34.814 0.122 1.00 0.00 O ATOM 793 CB PRO A 50 -10.566 32.414 0.962 1.00 0.00 C ATOM 794 CG PRO A 50 -10.598 31.113 0.235 1.00 0.00 C ATOM 795 CD PRO A 50 -11.845 31.159 -0.609 1.00 0.00 C ATOM 0 HA PRO A 50 -12.331 32.419 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.103 33.195 0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.989 32.340 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.709 30.986 -0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.625 30.274 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.652 31.588 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.261 30.164 -0.771 1.00 0.00 H new ATOM 803 N LYS A 51 -12.464 34.833 2.372 1.00 0.00 N ATOM 804 CA LYS A 51 -12.696 36.269 2.466 1.00 0.00 C ATOM 805 C LYS A 51 -13.949 36.678 1.702 1.00 0.00 C ATOM 806 O LYS A 51 -13.897 37.517 0.805 1.00 0.00 O ATOM 807 CB LYS A 51 -11.483 37.042 1.944 1.00 0.00 C ATOM 808 CG LYS A 51 -10.200 36.804 2.726 1.00 0.00 C ATOM 809 CD LYS A 51 -9.042 37.602 2.147 1.00 0.00 C ATOM 810 CE LYS A 51 -7.760 37.369 2.932 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.598 38.071 2.321 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.421 34.353 3.271 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.846 36.514 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.315 36.769 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.712 38.108 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.351 37.083 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.955 35.742 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.889 37.320 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.289 38.664 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.894 37.714 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.553 36.300 2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.745 37.887 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.453 37.724 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.783 39.094 2.298 1.00 0.00 H new ATOM 825 N SER A 52 -15.077 36.077 2.065 1.00 0.00 N ATOM 826 CA SER A 52 -16.350 36.388 1.428 1.00 0.00 C ATOM 827 C SER A 52 -17.119 37.437 2.217 1.00 0.00 C ATOM 828 O SER A 52 -16.542 38.165 3.027 1.00 0.00 O ATOM 829 CB SER A 52 -17.180 35.128 1.276 1.00 0.00 C ATOM 830 OG SER A 52 -18.296 35.330 0.453 1.00 0.00 O ATOM 0 H SER A 52 -15.135 35.371 2.798 1.00 0.00 H new ATOM 0 HA SER A 52 -16.143 36.798 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.561 34.334 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.510 34.791 2.258 1.00 0.00 H new ATOM 0 HG SER A 52 -19.110 35.082 0.939 1.00 0.00 H new ATOM 836 N ASP A 53 -18.425 37.517 1.975 1.00 0.00 N ATOM 837 CA ASP A 53 -19.268 38.505 2.634 1.00 0.00 C ATOM 838 C ASP A 53 -19.172 38.389 4.150 1.00 0.00 C ATOM 839 O ASP A 53 -19.030 39.388 4.850 1.00 0.00 O ATOM 840 CB ASP A 53 -20.723 38.352 2.185 1.00 0.00 C ATOM 841 CG ASP A 53 -20.995 38.816 0.761 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.144 39.459 0.194 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.976 38.394 0.196 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.921 36.907 1.325 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.911 39.494 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.009 37.304 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.361 38.915 2.866 1.00 0.00 H new ATOM 848 N HIS A 54 -19.257 37.161 4.651 1.00 0.00 N ATOM 849 CA HIS A 54 -19.153 36.906 6.080 1.00 0.00 C ATOM 850 C HIS A 54 -18.263 35.706 6.364 1.00 0.00 C ATOM 851 O HIS A 54 -17.977 35.390 7.521 1.00 0.00 O ATOM 852 CB HIS A 54 -20.539 36.684 6.692 1.00 0.00 C ATOM 853 CG HIS A 54 -21.439 37.876 6.589 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.285 38.997 7.378 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.503 38.124 5.789 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.216 39.882 7.068 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.967 39.377 6.107 1.00 0.00 N ATOM 0 H HIS A 54 -19.398 36.325 4.084 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.700 37.785 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.014 35.837 6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.424 36.416 7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.911 37.460 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.341 40.853 7.523 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.763 39.842 5.671 1.00 0.00 H new ATOM 865 N TYR A 55 -17.823 35.035 5.304 1.00 0.00 N ATOM 866 CA TYR A 55 -17.085 33.783 5.439 1.00 0.00 C ATOM 867 C TYR A 55 -15.607 33.980 5.128 1.00 0.00 C ATOM 868 O TYR A 55 -15.195 33.956 3.969 1.00 0.00 O ATOM 869 CB TYR A 55 -17.676 32.711 4.519 1.00 0.00 C ATOM 870 CG TYR A 55 -19.090 32.305 4.878 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.601 32.554 6.142 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.907 31.679 3.948 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.890 32.185 6.474 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.196 31.307 4.270 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.687 31.563 5.533 1.00 0.00 C ATOM 876 OH TYR A 55 -22.973 31.196 5.858 1.00 0.00 O ATOM 0 H TYR A 55 -17.965 35.338 4.340 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.176 33.452 6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.664 33.080 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -17.037 31.829 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.982 33.044 6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.528 31.480 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.273 32.382 7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.818 30.817 3.536 1.00 0.00 H new ATOM 0 HH TYR A 55 -22.967 30.691 6.698 1.00 0.00 H new ATOM 886 N THR A 56 -14.811 34.173 6.174 1.00 0.00 N ATOM 887 CA THR A 56 -13.378 34.392 6.017 1.00 0.00 C ATOM 888 C THR A 56 -12.595 33.114 6.289 1.00 0.00 C ATOM 889 O THR A 56 -12.707 32.518 7.363 1.00 0.00 O ATOM 890 CB THR A 56 -12.869 35.503 6.952 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.535 36.734 6.643 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.367 35.689 6.791 1.00 0.00 C ATOM 0 H THR A 56 -15.135 34.182 7.141 1.00 0.00 H new ATOM 0 HA THR A 56 -13.219 34.701 4.984 1.00 0.00 H new ATOM 0 HB THR A 56 -13.081 35.216 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.211 37.440 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.024 36.479 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.857 34.758 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.143 35.964 5.760 1.00 0.00 H new ATOM 900 N ILE A 57 -11.798 32.694 5.313 1.00 0.00 N ATOM 901 CA ILE A 57 -10.993 31.484 5.446 1.00 0.00 C ATOM 902 C ILE A 57 -9.514 31.819 5.573 1.00 0.00 C ATOM 903 O ILE A 57 -8.930 32.450 4.689 1.00 0.00 O ATOM 904 CB ILE A 57 -11.192 30.536 4.251 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.653 30.083 4.166 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.265 29.334 4.364 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.981 29.315 2.906 1.00 0.00 C ATOM 0 H ILE A 57 -11.692 33.174 4.419 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.330 30.983 6.354 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.945 31.075 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.881 29.459 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.299 30.959 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.419 28.674 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.229 29.673 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.482 28.793 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.033 29.028 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.786 29.942 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.361 28.420 2.854 1.00 0.00 H new ATOM 919 N GLN A 58 -8.907 31.394 6.675 1.00 0.00 N ATOM 920 CA GLN A 58 -7.464 31.513 6.851 1.00 0.00 C ATOM 921 C GLN A 58 -6.764 30.187 6.580 1.00 0.00 C ATOM 922 O GLN A 58 -7.152 29.147 7.118 1.00 0.00 O ATOM 923 CB GLN A 58 -7.134 31.991 8.268 1.00 0.00 C ATOM 924 CG GLN A 58 -7.589 33.409 8.568 1.00 0.00 C ATOM 925 CD GLN A 58 -6.857 34.441 7.731 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.623 34.474 7.701 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.613 35.295 7.052 1.00 0.00 N ATOM 0 H GLN A 58 -9.393 30.963 7.462 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.103 32.248 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.597 31.313 8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.056 31.927 8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.660 33.490 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.429 33.623 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.630 35.231 7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.177 36.015 6.476 1.00 0.00 H new ATOM 936 N ARG A 59 -5.736 30.227 5.742 1.00 0.00 N ATOM 937 CA ARG A 59 -5.038 29.020 5.325 1.00 0.00 C ATOM 938 C ARG A 59 -3.596 29.023 5.812 1.00 0.00 C ATOM 939 O ARG A 59 -2.736 29.690 5.234 1.00 0.00 O ATOM 940 CB ARG A 59 -5.118 28.801 3.821 1.00 0.00 C ATOM 941 CG ARG A 59 -6.509 28.489 3.294 1.00 0.00 C ATOM 942 CD ARG A 59 -6.609 28.457 1.812 1.00 0.00 C ATOM 943 NE ARG A 59 -7.910 28.052 1.304 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.216 27.922 -0.001 1.00 0.00 C ATOM 945 NH1 ARG A 59 -7.332 28.199 -0.934 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -9.437 27.532 -0.321 1.00 0.00 N ATOM 0 H ARG A 59 -5.367 31.087 5.337 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.547 28.177 5.793 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.746 29.694 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.451 27.982 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.826 27.524 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.206 29.235 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.374 29.448 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.853 27.774 1.424 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.643 27.852 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.399 28.518 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.580 28.095 -1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.119 27.338 0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.698 27.425 -1.301 1.00 0.00 H new ATOM 960 N ASP A 60 -3.331 28.273 6.878 1.00 0.00 N ATOM 961 CA ASP A 60 -1.970 28.095 7.375 1.00 0.00 C ATOM 962 C ASP A 60 -1.272 26.940 6.666 1.00 0.00 C ATOM 963 O ASP A 60 -1.732 25.802 6.715 1.00 0.00 O ATOM 964 CB ASP A 60 -1.979 27.857 8.887 1.00 0.00 C ATOM 965 CG ASP A 60 -0.596 27.743 9.514 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.365 27.699 8.782 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.497 27.859 10.712 1.00 0.00 O1- ATOM 0 H ASP A 60 -4.043 27.778 7.415 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.415 29.009 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.516 28.674 9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.536 26.943 9.095 1.00 0.00 H new ATOM 972 N LEU A 61 -0.159 27.246 6.011 1.00 0.00 N ATOM 973 CA LEU A 61 0.506 26.283 5.140 1.00 0.00 C ATOM 974 C LEU A 61 1.110 25.141 5.943 1.00 0.00 C ATOM 975 O LEU A 61 1.553 24.137 5.381 1.00 0.00 O ATOM 976 CB LEU A 61 1.591 26.978 4.307 1.00 0.00 C ATOM 977 CG LEU A 61 1.074 28.011 3.298 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.246 28.700 2.610 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.179 27.324 2.278 1.00 0.00 C ATOM 0 H LEU A 61 0.303 28.154 6.066 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.243 25.864 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.287 27.472 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.156 26.218 3.768 1.00 0.00 H new ATOM 0 HG LEU A 61 0.491 28.769 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.869 29.432 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.860 29.204 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.848 27.958 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.188 28.059 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.748 26.558 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.666 26.862 2.788 1.00 0.00 H new ATOM 991 N ASP A 62 1.125 25.292 7.264 1.00 0.00 N ATOM 992 CA ASP A 62 1.578 24.234 8.155 1.00 0.00 C ATOM 993 C ASP A 62 0.651 23.023 8.081 1.00 0.00 C ATOM 994 O ASP A 62 1.040 21.911 8.439 1.00 0.00 O ATOM 995 CB ASP A 62 1.664 24.743 9.595 1.00 0.00 C ATOM 996 CG ASP A 62 2.846 25.665 9.867 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.727 25.727 9.041 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.788 26.411 10.813 1.00 0.00 O1- ATOM 0 H ASP A 62 0.826 26.143 7.741 1.00 0.00 H new ATOM 0 HA ASP A 62 2.572 23.927 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.742 25.273 9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.724 23.887 10.267 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.573 23.251 7.619 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.552 22.176 7.487 1.00 0.00 C ATOM 1005 C GLY A 63 -2.809 22.478 8.294 1.00 0.00 C ATOM 1006 O GLY A 63 -3.570 21.574 8.633 1.00 0.00 O ATOM 0 H GLY A 63 -0.912 24.169 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.813 22.044 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.114 21.237 7.827 1.00 0.00 H new ATOM 1010 N THR A 64 -3.022 23.753 8.596 1.00 0.00 N ATOM 1011 CA THR A 64 -4.155 24.172 9.413 1.00 0.00 C ATOM 1012 C THR A 64 -5.029 25.174 8.670 1.00 0.00 C ATOM 1013 O THR A 64 -4.527 26.083 8.011 1.00 0.00 O ATOM 1014 CB THR A 64 -3.694 24.797 10.742 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.860 23.869 11.446 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.892 25.154 11.609 1.00 0.00 C ATOM 0 H THR A 64 -2.422 24.518 8.286 1.00 0.00 H new ATOM 0 HA THR A 64 -4.736 23.275 9.626 1.00 0.00 H new ATOM 0 HB THR A 64 -3.134 25.706 10.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.112 24.349 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.546 25.594 12.544 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.522 25.870 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.467 24.253 11.823 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.344 24.996 8.778 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.291 25.913 8.154 1.00 0.00 C ATOM 1026 C CYS A 65 -8.350 26.369 9.150 1.00 0.00 C ATOM 1027 O CYS A 65 -8.885 25.566 9.915 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.918 25.052 7.056 1.00 0.00 C ATOM 1029 SG CYS A 65 -6.773 24.558 5.745 1.00 0.00 S ATOM 0 H CYS A 65 -6.776 24.227 9.291 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.825 26.825 7.782 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.339 24.155 7.511 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.747 25.602 6.609 1.00 0.00 H new ATOM 0 HG CYS A 65 -7.300 24.823 4.586 1.00 0.00 H new ATOM 1035 N SER A 66 -8.648 27.664 9.132 1.00 0.00 N ATOM 1036 CA SER A 66 -9.595 28.243 10.079 1.00 0.00 C ATOM 1037 C SER A 66 -10.719 28.975 9.354 1.00 0.00 C ATOM 1038 O SER A 66 -10.481 29.699 8.387 1.00 0.00 O ATOM 1039 CB SER A 66 -8.878 29.182 11.028 1.00 0.00 C ATOM 1040 OG SER A 66 -9.765 29.829 11.899 1.00 0.00 O ATOM 0 H SER A 66 -8.248 28.332 8.473 1.00 0.00 H new ATOM 0 HA SER A 66 -10.040 27.431 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.145 28.621 11.608 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.327 29.926 10.453 1.00 0.00 H new ATOM 0 HG SER A 66 -10.517 29.234 12.101 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.944 28.784 9.830 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.107 29.429 9.234 1.00 0.00 C ATOM 1048 C LEU A 67 -13.781 30.369 10.223 1.00 0.00 C ATOM 1049 O LEU A 67 -14.195 29.952 11.304 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.104 28.374 8.738 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.397 28.931 8.129 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.078 29.748 6.884 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.339 27.784 7.795 1.00 0.00 C ATOM 0 H LEU A 67 -12.157 28.186 10.629 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.767 30.021 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.609 27.752 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.365 27.724 9.573 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.885 29.586 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.002 30.139 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.422 30.577 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.581 29.114 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.257 28.181 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.860 27.116 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.576 27.231 8.704 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.890 31.641 9.847 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.538 32.635 10.690 1.00 0.00 C ATOM 1067 C HIS A 68 -15.802 33.179 10.035 1.00 0.00 C ATOM 1068 O HIS A 68 -15.762 33.676 8.910 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.575 33.786 11.004 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.213 34.918 11.746 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.650 34.802 13.049 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.489 36.189 11.369 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.166 35.954 13.441 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.081 36.811 12.440 1.00 0.00 N ATOM 0 H HIS A 68 -13.536 32.005 8.962 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.820 32.143 11.621 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.742 33.401 11.592 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.158 34.164 10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.282 36.631 10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.586 36.159 14.415 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.403 37.779 12.459 1.00 0.00 H new ATOM 1082 N THR A 69 -16.920 33.079 10.745 1.00 0.00 N ATOM 1083 CA THR A 69 -18.162 33.710 10.311 1.00 0.00 C ATOM 1084 C THR A 69 -18.392 35.026 11.043 1.00 0.00 C ATOM 1085 O THR A 69 -18.494 35.059 12.267 1.00 0.00 O ATOM 1086 CB THR A 69 -19.375 32.789 10.537 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.204 31.576 9.792 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.657 33.477 10.092 1.00 0.00 C ATOM 0 H THR A 69 -16.992 32.567 11.624 1.00 0.00 H new ATOM 0 HA THR A 69 -18.061 33.903 9.243 1.00 0.00 H new ATOM 0 HB THR A 69 -19.447 32.562 11.601 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.976 30.991 9.938 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.504 32.811 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.797 34.393 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.590 33.720 9.032 1.00 0.00 H new ATOM 1096 N THR A 70 -18.468 36.113 10.281 1.00 0.00 N ATOM 1097 CA THR A 70 -18.607 37.445 10.860 1.00 0.00 C ATOM 1098 C THR A 70 -19.900 37.572 11.654 1.00 0.00 C ATOM 1099 O THR A 70 -19.903 38.066 12.781 1.00 0.00 O ATOM 1100 CB THR A 70 -18.575 38.538 9.775 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.304 38.520 9.111 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.800 39.909 10.393 1.00 0.00 C ATOM 0 H THR A 70 -18.436 36.098 9.262 1.00 0.00 H new ATOM 0 HA THR A 70 -17.759 37.584 11.531 1.00 0.00 H new ATOM 0 HB THR A 70 -19.370 38.339 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.286 39.215 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.774 40.669 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.771 39.930 10.888 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.016 40.112 11.123 1.00 0.00 H new ATOM 1110 N ALA A 71 -20.997 37.114 11.059 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.312 37.234 11.685 1.00 0.00 C ATOM 1112 C ALA A 71 -23.181 36.023 11.372 1.00 0.00 C ATOM 1113 O ALA A 71 -23.932 36.022 10.394 1.00 0.00 O ATOM 1114 CB ALA A 71 -22.999 38.513 11.231 1.00 0.00 C ATOM 0 H ALA A 71 -21.003 36.657 10.147 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.170 37.276 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -23.977 38.589 11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.391 39.373 11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.121 38.496 10.148 1.00 0.00 H new ATOM 1120 N SER A 72 -23.077 34.994 12.207 1.00 0.00 N ATOM 1121 CA SER A 72 -23.807 33.752 11.990 1.00 0.00 C ATOM 1122 C SER A 72 -25.274 33.902 12.378 1.00 0.00 C ATOM 1123 O SER A 72 -25.608 33.958 13.560 1.00 0.00 O ATOM 1124 CB SER A 72 -23.165 32.624 12.773 1.00 0.00 C ATOM 1125 OG SER A 72 -23.861 31.417 12.624 1.00 0.00 O ATOM 0 H SER A 72 -22.492 34.997 13.043 1.00 0.00 H new ATOM 0 HA SER A 72 -23.764 33.513 10.927 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.136 32.492 12.440 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.127 32.892 13.829 1.00 0.00 H new ATOM 0 HG SER A 72 -23.404 30.855 11.963 1.00 0.00 H new ATOM 1131 N THR A 73 -26.144 33.963 11.373 1.00 0.00 N ATOM 1132 CA THR A 73 -27.573 34.122 11.609 1.00 0.00 C ATOM 1133 C THR A 73 -28.318 32.811 11.390 1.00 0.00 C ATOM 1134 O THR A 73 -27.719 31.795 11.049 1.00 0.00 O ATOM 1135 CB THR A 73 -28.177 35.204 10.694 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.104 34.774 9.329 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.425 36.516 10.850 1.00 0.00 C ATOM 0 H THR A 73 -25.883 33.905 10.389 1.00 0.00 H new ATOM 0 HA THR A 73 -27.688 34.430 12.648 1.00 0.00 H new ATOM 0 HB THR A 73 -29.218 35.359 10.978 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.175 34.558 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.866 37.268 10.196 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.490 36.852 11.885 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.379 36.370 10.581 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.632 32.846 11.595 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.455 31.649 11.455 1.00 0.00 C ATOM 1147 C LEU A 74 -30.393 31.097 10.036 1.00 0.00 C ATOM 1148 O LEU A 74 -30.596 29.904 9.815 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.907 31.958 11.844 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.133 32.270 13.329 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.562 32.746 13.551 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.842 31.029 14.160 1.00 0.00 C ATOM 0 H LEU A 74 -30.147 33.686 11.857 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.060 30.887 12.127 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.251 32.807 11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.529 31.106 11.569 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.457 33.066 13.640 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.713 32.965 14.608 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.740 33.647 12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.258 31.967 13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.003 31.252 15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.507 30.222 13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.807 30.723 14.007 1.00 0.00 H new ATOM 1164 N ASP A 75 -30.114 31.977 9.078 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.963 31.568 7.689 1.00 0.00 C ATOM 1166 C ASP A 75 -28.582 30.960 7.442 1.00 0.00 C ATOM 1167 O ASP A 75 -28.368 30.273 6.443 1.00 0.00 O ATOM 1168 CB ASP A 75 -30.192 32.758 6.755 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.642 33.216 6.664 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.503 32.488 7.098 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.864 34.349 6.308 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.988 32.976 9.240 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.713 30.805 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.580 33.594 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.844 32.493 5.757 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.657 31.221 8.355 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.305 30.686 8.250 1.00 0.00 C ATOM 1178 C ASP A 76 -26.177 29.358 8.987 1.00 0.00 C ATOM 1179 O ASP A 76 -25.189 28.642 8.831 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.287 31.690 8.799 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.193 32.986 8.004 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -25.011 32.916 6.812 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.458 34.020 8.565 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.818 31.801 9.179 1.00 0.00 H new ATOM 0 HA ASP A 76 -26.098 30.511 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.549 31.928 9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.304 31.219 8.820 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.187 29.031 9.788 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.235 27.746 10.470 1.00 0.00 C ATOM 1190 C ASP A 77 -27.119 26.591 9.484 1.00 0.00 C ATOM 1191 O ASP A 77 -27.854 26.527 8.499 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.530 27.617 11.278 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.634 26.342 12.104 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.930 25.406 11.807 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.293 26.364 13.117 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.983 29.640 9.979 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.384 27.699 11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.614 28.475 11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.377 27.661 10.593 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.190 25.681 9.753 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.978 24.522 8.892 1.00 0.00 C ATOM 1202 C GLY A 78 -24.619 23.884 9.150 1.00 0.00 C ATOM 1203 O GLY A 78 -23.972 24.167 10.159 1.00 0.00 O ATOM 0 H GLY A 78 -25.570 25.723 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.766 23.789 9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.048 24.824 7.847 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.191 23.025 8.232 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.967 22.255 8.419 1.00 0.00 C ATOM 1209 C ASN A 79 -21.840 22.796 7.552 1.00 0.00 C ATOM 1210 O ASN A 79 -21.851 22.639 6.329 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.190 20.780 8.131 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.232 20.144 9.008 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.103 20.112 10.236 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.223 19.564 8.378 1.00 0.00 N ATOM 0 H ASN A 79 -24.673 22.844 7.351 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.678 22.358 9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.485 20.663 7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.247 20.248 8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.934 19.056 8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.284 19.620 7.361 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.864 23.436 8.189 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.708 23.974 7.480 1.00 0.00 C ATOM 1223 C TYR A 80 -18.636 22.911 7.290 1.00 0.00 C ATOM 1224 O TYR A 80 -17.571 22.971 7.904 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.129 25.175 8.234 1.00 0.00 C ATOM 1226 CG TYR A 80 -20.051 26.375 8.274 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.111 26.431 9.169 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.852 27.448 7.420 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.954 27.524 9.208 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.691 28.548 7.451 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.741 28.582 8.347 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.577 29.674 8.382 1.00 0.00 O ATOM 0 H TYR A 80 -20.851 23.595 9.196 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.043 24.301 6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.897 24.873 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.189 25.467 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.279 25.606 9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -19.030 27.425 6.720 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.776 27.551 9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.525 29.376 6.778 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.500 29.375 8.518 1.00 0.00 H new ATOM 1242 N THR A 81 -18.921 21.936 6.430 1.00 0.00 N ATOM 1243 CA THR A 81 -18.061 20.769 6.282 1.00 0.00 C ATOM 1244 C THR A 81 -16.730 21.146 5.641 1.00 0.00 C ATOM 1245 O THR A 81 -16.688 21.888 4.659 1.00 0.00 O ATOM 1246 CB THR A 81 -18.736 19.675 5.434 1.00 0.00 C ATOM 1247 OG1 THR A 81 -19.966 19.278 6.054 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.825 18.463 5.304 1.00 0.00 C ATOM 0 H THR A 81 -19.742 21.933 5.825 1.00 0.00 H new ATOM 0 HA THR A 81 -17.882 20.380 7.284 1.00 0.00 H new ATOM 0 HB THR A 81 -18.934 20.077 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.396 18.583 5.513 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.318 17.700 4.702 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.893 18.759 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.611 18.061 6.294 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.642 20.630 6.203 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.316 20.831 5.632 1.00 0.00 C ATOM 1258 C ILE A 82 -13.794 19.551 4.990 1.00 0.00 C ATOM 1259 O ILE A 82 -13.962 18.460 5.534 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.309 21.310 6.694 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.876 21.168 6.174 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.489 20.531 7.987 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.828 21.711 7.116 1.00 0.00 C ATOM 0 H ILE A 82 -15.653 20.069 7.055 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.416 21.602 4.868 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.497 22.364 6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.671 20.114 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.794 21.684 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.769 20.882 8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.500 20.682 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.326 19.470 7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.839 21.574 6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.006 22.773 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -10.881 21.178 8.065 1.00 0.00 H new ATOM 1275 N MET A 83 -13.163 19.689 3.829 1.00 0.00 N ATOM 1276 CA MET A 83 -12.604 18.547 3.117 1.00 0.00 C ATOM 1277 C MET A 83 -11.129 18.756 2.805 1.00 0.00 C ATOM 1278 O MET A 83 -10.739 19.792 2.270 1.00 0.00 O ATOM 1279 CB MET A 83 -13.385 18.297 1.828 1.00 0.00 C ATOM 1280 CG MET A 83 -12.926 17.079 1.040 1.00 0.00 C ATOM 1281 SD MET A 83 -13.923 16.788 -0.435 1.00 0.00 S ATOM 1282 CE MET A 83 -15.468 16.264 0.300 1.00 0.00 C ATOM 0 H MET A 83 -13.026 20.584 3.360 1.00 0.00 H new ATOM 0 HA MET A 83 -12.690 17.673 3.763 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.440 18.178 2.074 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.303 19.178 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.884 17.211 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.969 16.199 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 83 -16.148 15.928 -0.483 1.00 0.00 H new ATOM 0 HE2 MET A 83 -15.281 15.445 0.994 1.00 0.00 H new ATOM 0 HE3 MET A 83 -15.917 17.099 0.837 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.309 17.765 3.148 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.889 17.804 2.832 1.00 0.00 C ATOM 1294 C ALA A 84 -8.581 16.995 1.576 1.00 0.00 C ATOM 1295 O ALA A 84 -7.888 15.982 1.634 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.068 17.295 4.009 1.00 0.00 C ATOM 0 H ALA A 84 -10.607 16.926 3.645 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.616 18.841 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.008 17.331 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.254 17.922 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.353 16.267 4.234 1.00 0.00 H new ATOM 1302 N ALA A 85 -9.104 17.450 0.442 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.974 16.715 -0.809 1.00 0.00 C ATOM 1304 C ALA A 85 -7.590 16.898 -1.417 1.00 0.00 C ATOM 1305 O ALA A 85 -7.061 18.009 -1.456 1.00 0.00 O ATOM 1306 CB ALA A 85 -10.054 17.148 -1.791 1.00 0.00 C ATOM 0 H ALA A 85 -9.622 18.325 0.365 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.103 15.654 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.945 16.591 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.036 16.949 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.955 18.214 -1.993 1.00 0.00 H new ATOM 1312 N ASN A 86 -7.010 15.803 -1.896 1.00 0.00 N ATOM 1313 CA ASN A 86 -5.776 15.864 -2.668 1.00 0.00 C ATOM 1314 C ASN A 86 -5.644 14.658 -3.587 1.00 0.00 C ATOM 1315 O ASN A 86 -6.469 13.748 -3.558 1.00 0.00 O ATOM 1316 CB ASN A 86 -4.560 15.972 -1.766 1.00 0.00 C ATOM 1317 CG ASN A 86 -4.216 14.691 -1.058 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.776 13.628 -1.349 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.357 14.801 -0.077 1.00 0.00 N ATOM 0 H ASN A 86 -7.376 14.860 -1.762 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.824 16.764 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.704 16.289 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.737 16.750 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.122 13.986 0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.923 15.702 0.122 1.00 0.00 H new ATOM 1326 N PRO A 87 -4.596 14.658 -4.409 1.00 0.00 N ATOM 1327 CA PRO A 87 -4.401 13.612 -5.402 1.00 0.00 C ATOM 1328 C PRO A 87 -4.332 12.237 -4.752 1.00 0.00 C ATOM 1329 O PRO A 87 -4.628 11.224 -5.385 1.00 0.00 O ATOM 1330 CB PRO A 87 -3.085 13.991 -6.090 1.00 0.00 C ATOM 1331 CG PRO A 87 -2.993 15.469 -5.928 1.00 0.00 C ATOM 1332 CD PRO A 87 -3.585 15.759 -4.574 1.00 0.00 C ATOM 0 HA PRO A 87 -5.227 13.545 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.236 13.487 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.091 13.706 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.958 15.807 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.541 15.986 -6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.829 15.735 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.050 16.744 -4.539 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.939 12.210 -3.481 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.685 10.952 -2.787 1.00 0.00 C ATOM 1342 C GLN A 88 -4.936 10.447 -2.087 1.00 0.00 C ATOM 1343 O GLN A 88 -4.948 9.351 -1.529 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.556 11.122 -1.767 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.249 11.618 -2.361 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.705 10.684 -3.426 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.635 9.469 -3.227 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -0.314 11.249 -4.563 1.00 0.00 N ATOM 0 H GLN A 88 -3.790 13.044 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.387 10.216 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.880 11.821 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.379 10.165 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.402 12.607 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.511 11.728 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.391 12.259 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.063 10.673 -5.316 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.995 11.250 -2.122 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.253 10.889 -1.482 1.00 0.00 C ATOM 1359 C GLY A 89 -7.921 12.104 -0.851 1.00 0.00 C ATOM 1360 O GLY A 89 -7.376 13.209 -0.885 1.00 0.00 O ATOM 0 H GLY A 89 -6.006 12.157 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.923 10.444 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.071 10.133 -0.718 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.101 11.893 -0.276 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.867 12.983 0.317 1.00 0.00 C ATOM 1366 C ARG A 90 -10.613 12.517 1.562 1.00 0.00 C ATOM 1367 O ARG A 90 -10.931 11.332 1.698 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.809 13.634 -0.686 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.923 12.734 -1.196 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.854 13.392 -2.147 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.993 12.575 -2.538 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.958 12.968 -3.391 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.950 14.173 -3.915 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.930 12.115 -3.669 1.00 0.00 N ATOM 0 H ARG A 90 -9.547 10.978 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.153 13.749 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.256 14.514 -0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.225 13.983 -1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.479 11.866 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.494 12.364 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.222 14.314 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.300 13.673 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.065 11.639 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.205 14.828 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.689 14.454 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.934 11.189 -3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.676 12.383 -4.311 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.886 13.448 2.467 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.638 13.143 3.678 1.00 0.00 C ATOM 1390 C VAL A 91 -12.361 14.382 4.202 1.00 0.00 C ATOM 1391 O VAL A 91 -11.799 15.475 4.226 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.723 12.586 4.785 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.653 13.601 5.152 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.541 12.207 6.011 1.00 0.00 C ATOM 0 H VAL A 91 -10.597 14.423 2.385 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.372 12.383 3.411 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.232 11.689 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.016 13.191 5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.049 13.826 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.126 14.515 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.879 11.815 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.059 13.088 6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.272 11.445 5.739 1.00 0.00 H new ATOM 1404 N SER A 92 -13.607 14.198 4.622 1.00 0.00 N ATOM 1405 CA SER A 92 -14.440 15.313 5.054 1.00 0.00 C ATOM 1406 C SER A 92 -14.716 15.249 6.551 1.00 0.00 C ATOM 1407 O SER A 92 -14.669 14.178 7.156 1.00 0.00 O ATOM 1408 CB SER A 92 -15.742 15.322 4.276 1.00 0.00 C ATOM 1409 OG SER A 92 -16.518 14.185 4.536 1.00 0.00 O ATOM 0 H SER A 92 -14.063 13.287 4.673 1.00 0.00 H new ATOM 0 HA SER A 92 -13.900 16.238 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.311 16.215 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.526 15.377 3.209 1.00 0.00 H new ATOM 0 HG SER A 92 -17.348 14.230 4.017 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.003 16.404 7.143 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.423 16.463 8.539 1.00 0.00 C ATOM 1417 C CYS A 93 -16.480 17.536 8.753 1.00 0.00 C ATOM 1418 O CYS A 93 -16.291 18.696 8.370 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.129 16.832 9.264 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.294 16.987 11.058 1.00 0.00 S ATOM 0 H CYS A 93 -14.953 17.311 6.679 1.00 0.00 H new ATOM 0 HA CYS A 93 -15.874 15.534 8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.376 16.075 9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.759 17.775 8.863 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.114 17.088 11.595 1.00 0.00 H new ATOM 1426 N THR A 94 -17.597 17.152 9.360 1.00 0.00 N ATOM 1427 CA THR A 94 -18.753 18.030 9.466 1.00 0.00 C ATOM 1428 C THR A 94 -18.477 19.198 10.404 1.00 0.00 C ATOM 1429 O THR A 94 -18.034 19.003 11.538 1.00 0.00 O ATOM 1430 CB THR A 94 -19.996 17.268 9.966 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.279 16.179 9.077 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.200 18.195 10.028 1.00 0.00 C ATOM 0 H THR A 94 -17.725 16.235 9.787 1.00 0.00 H new ATOM 0 HA THR A 94 -18.948 18.412 8.464 1.00 0.00 H new ATOM 0 HB THR A 94 -19.794 16.886 10.967 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.068 15.693 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.068 17.640 10.383 1.00 0.00 H new ATOM 0 HG22 THR A 94 -20.991 19.018 10.712 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.405 18.592 9.034 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.738 20.410 9.927 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.590 21.604 10.751 1.00 0.00 C ATOM 1442 C GLY A 95 -19.939 22.093 11.261 1.00 0.00 C ATOM 1443 O GLY A 95 -20.310 23.247 11.049 1.00 0.00 O ATOM 0 H GLY A 95 -19.053 20.592 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.936 21.387 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.110 22.392 10.171 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.667 21.210 11.932 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.003 21.531 12.423 1.00 0.00 C ATOM 1449 C ARG A 96 -21.997 22.820 13.233 1.00 0.00 C ATOM 1450 O ARG A 96 -21.387 22.893 14.297 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.617 20.383 13.210 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.044 20.619 13.678 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.670 19.451 14.351 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.062 19.644 14.724 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.781 18.782 15.467 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.259 17.652 15.889 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.036 19.092 15.743 1.00 0.00 N ATOM 0 H ARG A 96 -20.355 20.264 12.150 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.635 21.688 11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.597 19.486 12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.993 20.184 14.081 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.053 21.466 14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.654 20.898 12.819 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.601 18.587 13.690 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.097 19.214 15.247 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.526 20.492 14.400 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.295 17.417 15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.818 17.010 16.451 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.434 19.964 15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.606 18.459 16.304 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.682 23.838 12.721 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.911 25.065 13.474 1.00 0.00 C ATOM 1473 C LEU A 97 -24.397 25.375 13.585 1.00 0.00 C ATOM 1474 O LEU A 97 -25.040 25.740 12.598 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.169 26.236 12.817 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.429 27.610 13.449 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.965 27.613 14.899 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.705 28.683 12.649 1.00 0.00 C ATOM 0 H LEU A 97 -23.089 23.837 11.786 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.523 24.920 14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.099 26.034 12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.450 26.279 11.765 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.498 27.822 13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.153 28.592 15.339 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.511 26.853 15.457 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.898 27.396 14.940 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.890 29.659 13.098 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.634 28.479 12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.071 28.681 11.622 1.00 0.00 H new ATOM 1490 N MET A 98 -24.940 25.229 14.788 1.00 0.00 N ATOM 1491 CA MET A 98 -26.352 25.499 15.031 1.00 0.00 C ATOM 1492 C MET A 98 -26.554 26.897 15.603 1.00 0.00 C ATOM 1493 O MET A 98 -25.780 27.354 16.443 1.00 0.00 O ATOM 1494 CB MET A 98 -26.936 24.452 15.977 1.00 0.00 C ATOM 1495 CG MET A 98 -26.911 23.030 15.435 1.00 0.00 C ATOM 1496 SD MET A 98 -27.914 22.836 13.948 1.00 0.00 S ATOM 1497 CE MET A 98 -29.560 23.064 14.616 1.00 0.00 C ATOM 0 H MET A 98 -24.422 24.924 15.612 1.00 0.00 H new ATOM 0 HA MET A 98 -26.875 25.445 14.076 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.383 24.480 16.916 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.967 24.722 16.206 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.882 22.748 15.214 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.271 22.346 16.203 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.296 22.683 13.908 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.649 22.523 15.558 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.739 24.125 14.789 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.604 27.572 15.143 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.858 28.953 15.536 1.00 0.00 C ATOM 1509 C VAL A 99 -29.174 29.074 16.298 1.00 0.00 C ATOM 1510 O VAL A 99 -30.207 28.580 15.851 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.893 29.892 14.316 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.137 31.328 14.755 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.596 29.791 13.529 1.00 0.00 C ATOM 0 H VAL A 99 -28.292 27.184 14.498 1.00 0.00 H new ATOM 0 HA VAL A 99 -27.036 29.251 16.186 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.715 29.584 13.669 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.159 31.977 13.880 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.091 31.392 15.278 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.336 31.645 15.423 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.638 30.461 12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.759 30.073 14.168 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.459 28.766 13.183 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.124 29.733 17.450 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.312 29.932 18.269 1.00 0.00 C ATOM 1525 C GLN A 100 -30.870 31.338 18.098 1.00 0.00 C ATOM 1526 O GLN A 100 -30.124 32.301 17.925 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.994 29.679 19.746 1.00 0.00 C ATOM 1528 CG GLN A 100 -29.492 28.276 20.041 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.530 27.213 19.736 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -31.673 27.291 20.196 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -30.137 26.210 18.959 1.00 0.00 N ATOM 0 H GLN A 100 -28.272 30.139 17.838 1.00 0.00 H new ATOM 0 HA GLN A 100 -31.066 29.218 17.937 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.243 30.398 20.073 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -30.891 29.864 20.337 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -28.595 28.083 19.453 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -29.205 28.209 21.090 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -29.182 26.186 18.601 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -30.790 25.464 18.720 1.00 0.00 H new