USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 799 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 92 GLN : amide:sc=-0.00621 X(o=-0.015,f=0) USER MOD Set 1.2: A 96 GLN : amide:sc=-0.00841 K(o=-0.015,f=-0.69) USER MOD Set 2.1: A 70 CYS SG : rot -110:sc= -2.18 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 140:sc= 0.737 (180deg=0.046) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 37 SER OG : rot 98:sc= 0.769 USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 169:sc=-0.00283 (180deg=-0.111) USER MOD Single : A 11 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.0486 USER MOD Single : A 14 MET CE :methyl -176:sc= -3.31 (180deg=-3.43!) USER MOD Single : A 15 MET CE :methyl -120:sc= -0.209 (180deg=-2.31!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.78 K(o=-3.8,f=-4.4!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 44:sc= 0.97 USER MOD Single : A 65 LYS NZ :NH3+ -119:sc= -0.683 (180deg=-2.46!) USER MOD Single : A 68 LYS NZ :NH3+ -109:sc= 0.459 (180deg=0.00022) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= 0.859 (180deg=-0.245) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -122:sc= -0.91 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 100 SER OG : rot 86:sc= 0.104 USER MOD Single : A 101 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.271 F(o=-1,f=-0.27) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.770 8.143 -2.044 1.00 0.00 N ATOM 67 CA VAL A 8 -10.430 8.228 -1.477 1.00 0.00 C ATOM 68 C VAL A 8 -10.476 8.705 -0.029 1.00 0.00 C ATOM 69 O VAL A 8 -11.046 9.754 0.273 1.00 0.00 O ATOM 70 CB VAL A 8 -9.535 9.181 -2.291 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.272 10.476 -2.596 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.238 9.459 -1.548 1.00 0.00 C ATOM 0 HA VAL A 8 -10.007 7.224 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.289 8.700 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.624 11.137 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.170 10.256 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.551 10.965 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.618 10.134 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.461 9.919 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.703 8.523 -1.387 1.00 0.00 H new ATOM 82 N LEU A 9 -9.871 7.927 0.863 1.00 0.00 N ATOM 83 CA LEU A 9 -9.842 8.270 2.280 1.00 0.00 C ATOM 84 C LEU A 9 -8.656 9.176 2.597 1.00 0.00 C ATOM 85 O LEU A 9 -8.811 10.221 3.229 1.00 0.00 O ATOM 86 CB LEU A 9 -9.769 7.000 3.130 1.00 0.00 C ATOM 87 CG LEU A 9 -10.594 5.812 2.634 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.219 4.548 3.391 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.082 6.099 2.776 1.00 0.00 C ATOM 0 H LEU A 9 -9.395 7.056 0.630 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.760 8.808 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.726 6.690 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.093 7.245 4.142 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.373 5.657 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.817 3.713 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.162 4.332 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.410 4.691 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.654 5.243 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.319 6.281 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.341 6.979 2.187 1.00 0.00 H new ATOM 101 N LYS A 10 -7.472 8.769 2.152 1.00 0.00 N ATOM 102 CA LYS A 10 -6.259 9.545 2.384 1.00 0.00 C ATOM 103 C LYS A 10 -5.596 9.925 1.065 1.00 0.00 C ATOM 104 O LYS A 10 -5.801 9.267 0.045 1.00 0.00 O ATOM 105 CB LYS A 10 -5.279 8.750 3.250 1.00 0.00 C ATOM 106 CG LYS A 10 -4.409 9.622 4.139 1.00 0.00 C ATOM 107 CD LYS A 10 -3.392 8.794 4.908 1.00 0.00 C ATOM 108 CE LYS A 10 -2.383 9.677 5.626 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.047 10.652 6.534 1.00 0.00 N ATOM 0 H LYS A 10 -7.326 7.906 1.628 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.537 10.460 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.840 8.055 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.638 8.151 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.891 10.362 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.038 10.170 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.907 8.165 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.870 8.127 4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.699 9.053 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.783 10.215 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.333 11.105 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.532 11.378 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.741 10.156 7.129 1.00 0.00 H new ATOM 123 N GLN A 11 -4.799 10.989 1.093 1.00 0.00 N ATOM 124 CA GLN A 11 -4.106 11.455 -0.102 1.00 0.00 C ATOM 125 C GLN A 11 -2.897 12.309 0.268 1.00 0.00 C ATOM 126 O GLN A 11 -2.997 13.219 1.090 1.00 0.00 O ATOM 127 CB GLN A 11 -5.058 12.256 -0.991 1.00 0.00 C ATOM 128 CG GLN A 11 -5.682 13.452 -0.291 1.00 0.00 C ATOM 129 CD GLN A 11 -6.846 14.039 -1.065 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.922 14.267 -0.511 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.637 14.288 -2.352 1.00 0.00 N ATOM 0 H GLN A 11 -4.618 11.544 1.930 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.757 10.581 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.515 12.603 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.852 11.598 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.024 13.151 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.923 14.220 -0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.729 14.084 -2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.384 14.684 -2.923 1.00 0.00 H new ATOM 140 N GLY A 12 -1.756 12.008 -0.344 1.00 0.00 N ATOM 141 CA GLY A 12 -0.545 12.757 -0.064 1.00 0.00 C ATOM 142 C GLY A 12 0.654 12.225 -0.823 1.00 0.00 C ATOM 143 O GLY A 12 0.641 11.090 -1.302 1.00 0.00 O ATOM 0 H GLY A 12 -1.649 11.259 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.701 13.804 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.339 12.722 1.006 1.00 0.00 H new ATOM 147 N TYR A 13 1.693 13.045 -0.935 1.00 0.00 N ATOM 148 CA TYR A 13 2.904 12.651 -1.645 1.00 0.00 C ATOM 149 C TYR A 13 3.751 11.707 -0.797 1.00 0.00 C ATOM 150 O TYR A 13 4.169 12.054 0.307 1.00 0.00 O ATOM 151 CB TYR A 13 3.723 13.887 -2.024 1.00 0.00 C ATOM 152 CG TYR A 13 3.379 14.447 -3.386 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.338 13.626 -4.507 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.093 15.796 -3.551 1.00 0.00 C ATOM 155 CE1 TYR A 13 3.025 14.134 -5.752 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.777 16.312 -4.794 1.00 0.00 C ATOM 157 CZ TYR A 13 2.745 15.477 -5.891 1.00 0.00 C ATOM 158 OH TYR A 13 2.431 15.987 -7.130 1.00 0.00 O ATOM 0 H TYR A 13 1.721 13.986 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 13 2.607 12.127 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.567 14.661 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.782 13.631 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.555 12.573 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.118 16.453 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.000 13.483 -6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.556 17.363 -4.905 1.00 0.00 H new ATOM 0 HH TYR A 13 2.260 16.949 -7.054 1.00 0.00 H new ATOM 168 N MET A 14 3.999 10.512 -1.322 1.00 0.00 N ATOM 169 CA MET A 14 4.798 9.518 -0.614 1.00 0.00 C ATOM 170 C MET A 14 5.894 8.960 -1.516 1.00 0.00 C ATOM 171 O MET A 14 5.726 8.871 -2.731 1.00 0.00 O ATOM 172 CB MET A 14 3.906 8.380 -0.112 1.00 0.00 C ATOM 173 CG MET A 14 2.887 8.820 0.927 1.00 0.00 C ATOM 174 SD MET A 14 2.200 7.435 1.854 1.00 0.00 S ATOM 175 CE MET A 14 1.279 6.591 0.571 1.00 0.00 C ATOM 0 H MET A 14 3.659 10.208 -2.234 1.00 0.00 H new ATOM 0 HA MET A 14 5.268 10.006 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.381 7.939 -0.960 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.534 7.598 0.315 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.358 9.518 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.078 9.358 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.738 5.750 1.005 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.570 7.283 0.117 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.968 6.225 -0.191 1.00 0.00 H new ATOM 185 N MET A 15 7.017 8.585 -0.911 1.00 0.00 N ATOM 186 CA MET A 15 8.141 8.035 -1.660 1.00 0.00 C ATOM 187 C MET A 15 8.095 6.510 -1.668 1.00 0.00 C ATOM 188 O MET A 15 8.108 5.873 -0.615 1.00 0.00 O ATOM 189 CB MET A 15 9.465 8.513 -1.060 1.00 0.00 C ATOM 190 CG MET A 15 9.632 10.024 -1.083 1.00 0.00 C ATOM 191 SD MET A 15 11.340 10.538 -0.819 1.00 0.00 S ATOM 192 CE MET A 15 11.987 10.433 -2.486 1.00 0.00 C ATOM 0 H MET A 15 7.172 8.652 0.095 1.00 0.00 H new ATOM 0 HA MET A 15 8.067 8.389 -2.688 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.535 8.164 -0.030 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.289 8.056 -1.608 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.285 10.409 -2.042 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.000 10.467 -0.313 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.811 9.720 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.199 10.102 -3.162 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.346 11.413 -2.799 1.00 0.00 H new ATOM 202 N LYS A 16 8.039 5.931 -2.863 1.00 0.00 N ATOM 203 CA LYS A 16 7.992 4.481 -3.009 1.00 0.00 C ATOM 204 C LYS A 16 9.310 3.947 -3.561 1.00 0.00 C ATOM 205 O LYS A 16 9.853 4.482 -4.527 1.00 0.00 O ATOM 206 CB LYS A 16 6.840 4.079 -3.933 1.00 0.00 C ATOM 207 CG LYS A 16 7.022 2.714 -4.573 1.00 0.00 C ATOM 208 CD LYS A 16 5.714 2.183 -5.137 1.00 0.00 C ATOM 209 CE LYS A 16 5.513 2.619 -6.580 1.00 0.00 C ATOM 210 NZ LYS A 16 4.238 2.095 -7.145 1.00 0.00 N ATOM 0 H LYS A 16 8.025 6.444 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 16 7.828 4.046 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.910 4.083 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.736 4.828 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.762 2.781 -5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.411 2.014 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.707 1.095 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.883 2.539 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.514 3.708 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.349 2.269 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.791 2.828 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.435 1.257 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.596 1.834 -6.370 1.00 0.00 H new ATOM 224 N LYS A 17 9.818 2.887 -2.941 1.00 0.00 N ATOM 225 CA LYS A 17 11.071 2.277 -3.371 1.00 0.00 C ATOM 226 C LYS A 17 10.919 1.631 -4.745 1.00 0.00 C ATOM 227 O LYS A 17 10.095 0.737 -4.934 1.00 0.00 O ATOM 228 CB LYS A 17 11.528 1.230 -2.352 1.00 0.00 C ATOM 229 CG LYS A 17 13.037 1.068 -2.283 1.00 0.00 C ATOM 230 CD LYS A 17 13.451 0.207 -1.101 1.00 0.00 C ATOM 231 CE LYS A 17 14.936 0.347 -0.803 1.00 0.00 C ATOM 232 NZ LYS A 17 15.772 -0.397 -1.786 1.00 0.00 N ATOM 0 H LYS A 17 9.381 2.433 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 17 11.824 3.062 -3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.155 1.507 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.079 0.269 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.398 0.617 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.506 2.049 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.874 0.493 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.218 -0.837 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.211 1.402 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.141 -0.023 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.777 -0.277 -1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.528 -1.407 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.596 -0.027 -2.742 1.00 0.00 H new ATOM 355 N TRP A 24 13.825 5.842 -4.371 1.00 0.00 N ATOM 356 CA TRP A 24 12.684 6.512 -3.759 1.00 0.00 C ATOM 357 C TRP A 24 12.311 7.771 -4.535 1.00 0.00 C ATOM 358 O TRP A 24 13.166 8.607 -4.830 1.00 0.00 O ATOM 359 CB TRP A 24 12.996 6.869 -2.304 1.00 0.00 C ATOM 360 CG TRP A 24 13.378 5.683 -1.471 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.640 5.208 -1.251 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.492 4.822 -0.748 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.591 4.103 -0.436 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.284 3.847 -0.112 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.106 4.781 -0.575 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.735 2.843 0.681 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.562 3.784 0.213 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.376 2.827 0.834 1.00 0.00 C ATOM 0 HA TRP A 24 11.836 5.827 -3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.808 7.596 -2.282 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.124 7.350 -1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.543 5.638 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.396 3.561 -0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.471 5.515 -1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.360 2.103 1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.492 3.742 0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.921 2.062 1.445 1.00 0.00 H new ATOM 379 N THR A 25 11.030 7.901 -4.863 1.00 0.00 N ATOM 380 CA THR A 25 10.544 9.057 -5.606 1.00 0.00 C ATOM 381 C THR A 25 9.172 9.494 -5.107 1.00 0.00 C ATOM 382 O THR A 25 8.302 8.663 -4.850 1.00 0.00 O ATOM 383 CB THR A 25 10.459 8.760 -7.115 1.00 0.00 C ATOM 384 OG1 THR A 25 9.932 7.445 -7.327 1.00 0.00 O ATOM 385 CG2 THR A 25 11.828 8.873 -7.768 1.00 0.00 C ATOM 0 H THR A 25 10.309 7.219 -4.626 1.00 0.00 H new ATOM 0 HA THR A 25 11.260 9.862 -5.442 1.00 0.00 H new ATOM 0 HB THR A 25 9.795 9.495 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.880 7.265 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.742 8.659 -8.833 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.214 9.883 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.511 8.158 -7.308 1.00 0.00 H new ATOM 393 N GLU A 26 8.985 10.804 -4.974 1.00 0.00 N ATOM 394 CA GLU A 26 7.717 11.350 -4.505 1.00 0.00 C ATOM 395 C GLU A 26 6.607 11.096 -5.521 1.00 0.00 C ATOM 396 O GLU A 26 6.670 11.569 -6.656 1.00 0.00 O ATOM 397 CB GLU A 26 7.850 12.852 -4.243 1.00 0.00 C ATOM 398 CG GLU A 26 6.805 13.396 -3.282 1.00 0.00 C ATOM 399 CD GLU A 26 7.193 14.742 -2.701 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.972 15.468 -3.352 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.716 15.068 -1.594 1.00 0.00 O ATOM 0 H GLU A 26 9.695 11.506 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 26 7.456 10.847 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.842 13.056 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.774 13.386 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.852 13.490 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.656 12.683 -2.471 1.00 0.00 H new ATOM 408 N ARG A 27 5.592 10.346 -5.104 1.00 0.00 N ATOM 409 CA ARG A 27 4.469 10.027 -5.977 1.00 0.00 C ATOM 410 C ARG A 27 3.150 10.100 -5.214 1.00 0.00 C ATOM 411 O ARG A 27 3.015 9.527 -4.132 1.00 0.00 O ATOM 412 CB ARG A 27 4.645 8.633 -6.581 1.00 0.00 C ATOM 413 CG ARG A 27 5.707 8.569 -7.667 1.00 0.00 C ATOM 414 CD ARG A 27 5.145 8.976 -9.020 1.00 0.00 C ATOM 415 NE ARG A 27 5.258 10.414 -9.250 1.00 0.00 N ATOM 416 CZ ARG A 27 6.356 11.000 -9.716 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.429 10.274 -10.000 1.00 0.00 N ATOM 418 NH2 ARG A 27 6.382 12.314 -9.898 1.00 0.00 N ATOM 0 H ARG A 27 5.524 9.948 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 27 4.445 10.763 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.906 7.933 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.693 8.303 -6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.537 9.225 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.107 7.557 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.674 8.440 -9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.098 8.680 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 27 4.450 11.001 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.413 9.264 -9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.271 10.726 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.559 12.875 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.225 12.763 -10.256 1.00 0.00 H new ATOM 432 N TRP A 28 2.181 10.807 -5.783 1.00 0.00 N ATOM 433 CA TRP A 28 0.872 10.955 -5.156 1.00 0.00 C ATOM 434 C TRP A 28 0.215 9.596 -4.943 1.00 0.00 C ATOM 435 O TRP A 28 0.299 8.713 -5.797 1.00 0.00 O ATOM 436 CB TRP A 28 -0.030 11.843 -6.014 1.00 0.00 C ATOM 437 CG TRP A 28 -1.177 12.435 -5.253 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.506 12.199 -5.459 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.096 13.364 -4.167 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.257 12.925 -4.565 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.415 13.647 -3.761 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.038 13.983 -3.495 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.701 14.522 -2.717 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.323 14.851 -2.459 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.646 15.114 -2.077 1.00 0.00 C ATOM 0 H TRP A 28 2.276 11.287 -6.678 1.00 0.00 H new ATOM 0 HA TRP A 28 1.013 11.426 -4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.567 12.648 -6.443 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.419 11.257 -6.846 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.908 11.539 -6.213 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.275 12.926 -4.509 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.985 13.786 -3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.720 14.727 -2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.487 15.335 -1.934 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.836 15.797 -1.262 1.00 0.00 H new ATOM 456 N PHE A 29 -0.440 9.433 -3.798 1.00 0.00 N ATOM 457 CA PHE A 29 -1.112 8.181 -3.472 1.00 0.00 C ATOM 458 C PHE A 29 -2.560 8.431 -3.060 1.00 0.00 C ATOM 459 O PHE A 29 -2.844 9.325 -2.262 1.00 0.00 O ATOM 460 CB PHE A 29 -0.368 7.455 -2.349 1.00 0.00 C ATOM 461 CG PHE A 29 0.735 6.562 -2.841 1.00 0.00 C ATOM 462 CD1 PHE A 29 0.471 5.254 -3.214 1.00 0.00 C ATOM 463 CD2 PHE A 29 2.036 7.030 -2.930 1.00 0.00 C ATOM 464 CE1 PHE A 29 1.484 4.430 -3.666 1.00 0.00 C ATOM 465 CE2 PHE A 29 3.053 6.210 -3.381 1.00 0.00 C ATOM 466 CZ PHE A 29 2.777 4.909 -3.751 1.00 0.00 C ATOM 0 H PHE A 29 -0.520 10.153 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.110 7.554 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.051 8.193 -1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.080 6.859 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.538 4.874 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.258 8.047 -2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.265 3.412 -3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.063 6.587 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.570 4.267 -4.106 1.00 0.00 H new ATOM 476 N VAL A 30 -3.472 7.635 -3.609 1.00 0.00 N ATOM 477 CA VAL A 30 -4.890 7.769 -3.298 1.00 0.00 C ATOM 478 C VAL A 30 -5.419 6.522 -2.598 1.00 0.00 C ATOM 479 O VAL A 30 -5.839 5.563 -3.247 1.00 0.00 O ATOM 480 CB VAL A 30 -5.721 8.022 -4.570 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.202 8.110 -4.232 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.250 9.287 -5.271 1.00 0.00 C ATOM 0 H VAL A 30 -3.254 6.891 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.989 8.626 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.577 7.182 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.773 8.289 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.528 7.174 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.368 8.930 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.848 9.450 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.362 10.138 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.201 9.180 -5.549 1.00 0.00 H new ATOM 492 N LEU A 31 -5.397 6.542 -1.270 1.00 0.00 N ATOM 493 CA LEU A 31 -5.876 5.414 -0.480 1.00 0.00 C ATOM 494 C LEU A 31 -7.394 5.297 -0.560 1.00 0.00 C ATOM 495 O LEU A 31 -8.118 5.919 0.218 1.00 0.00 O ATOM 496 CB LEU A 31 -5.441 5.566 0.979 1.00 0.00 C ATOM 497 CG LEU A 31 -6.189 4.703 1.996 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.999 3.227 1.685 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.720 5.018 3.409 1.00 0.00 C ATOM 0 H LEU A 31 -5.052 7.327 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.438 4.504 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.378 5.333 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.557 6.611 1.265 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.252 4.933 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.538 2.628 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.384 3.013 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.938 2.980 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.263 4.395 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.652 4.816 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.909 6.069 3.629 1.00 0.00 H new ATOM 511 N LYS A 32 -7.872 4.495 -1.506 1.00 0.00 N ATOM 512 CA LYS A 32 -9.305 4.294 -1.687 1.00 0.00 C ATOM 513 C LYS A 32 -9.860 3.352 -0.624 1.00 0.00 C ATOM 514 O LYS A 32 -9.123 2.624 0.042 1.00 0.00 O ATOM 515 CB LYS A 32 -9.589 3.730 -3.081 1.00 0.00 C ATOM 516 CG LYS A 32 -9.791 4.800 -4.140 1.00 0.00 C ATOM 517 CD LYS A 32 -11.095 5.551 -3.933 1.00 0.00 C ATOM 518 CE LYS A 32 -11.180 6.778 -4.828 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.587 7.101 -5.193 1.00 0.00 N ATOM 0 H LYS A 32 -7.288 3.974 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.798 5.261 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.761 3.087 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.479 3.103 -3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.958 5.502 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.788 4.340 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.935 4.888 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.180 5.854 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.732 7.631 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.600 6.607 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.603 7.943 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.007 6.297 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.135 7.289 -4.329 1.00 0.00 H new ATOM 533 N PRO A 33 -11.191 3.364 -0.459 1.00 0.00 N ATOM 534 CA PRO A 33 -11.875 2.515 0.522 1.00 0.00 C ATOM 535 C PRO A 33 -11.837 1.040 0.137 1.00 0.00 C ATOM 536 O PRO A 33 -11.906 0.163 0.997 1.00 0.00 O ATOM 537 CB PRO A 33 -13.314 3.036 0.500 1.00 0.00 C ATOM 538 CG PRO A 33 -13.477 3.643 -0.851 1.00 0.00 C ATOM 539 CD PRO A 33 -12.131 4.206 -1.217 1.00 0.00 C ATOM 0 HA PRO A 33 -11.404 2.565 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.029 2.229 0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.481 3.771 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.799 2.897 -1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.237 4.425 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.949 4.146 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.045 5.256 -0.937 1.00 0.00 H new ATOM 547 N ASN A 34 -11.727 0.773 -1.160 1.00 0.00 N ATOM 548 CA ASN A 34 -11.681 -0.596 -1.658 1.00 0.00 C ATOM 549 C ASN A 34 -10.581 -0.758 -2.703 1.00 0.00 C ATOM 550 O ASN A 34 -10.668 -1.616 -3.582 1.00 0.00 O ATOM 551 CB ASN A 34 -13.032 -0.989 -2.258 1.00 0.00 C ATOM 552 CG ASN A 34 -13.076 -2.445 -2.681 1.00 0.00 C ATOM 553 OD1 ASN A 34 -12.171 -3.220 -2.371 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.131 -2.824 -3.392 1.00 0.00 N ATOM 0 H ASN A 34 -11.668 1.488 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.459 -1.254 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.819 -0.802 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.241 -0.356 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.215 -3.791 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.858 -2.148 -3.626 1.00 0.00 H new ATOM 561 N ILE A 35 -9.548 0.071 -2.600 1.00 0.00 N ATOM 562 CA ILE A 35 -8.431 0.019 -3.535 1.00 0.00 C ATOM 563 C ILE A 35 -7.381 1.072 -3.197 1.00 0.00 C ATOM 564 O ILE A 35 -7.541 1.839 -2.246 1.00 0.00 O ATOM 565 CB ILE A 35 -8.901 0.226 -4.986 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.915 -0.420 -5.962 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.057 1.709 -5.286 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.577 -1.018 -7.183 1.00 0.00 C ATOM 0 H ILE A 35 -9.461 0.787 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.989 -0.973 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.872 -0.254 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.190 0.328 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.359 -1.200 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.390 1.839 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.794 2.142 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.099 2.211 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.818 -1.458 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.282 -1.790 -6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.109 -0.238 -7.727 1.00 0.00 H new ATOM 580 N ILE A 36 -6.310 1.106 -3.983 1.00 0.00 N ATOM 581 CA ILE A 36 -5.236 2.068 -3.768 1.00 0.00 C ATOM 582 C ILE A 36 -4.568 2.448 -5.085 1.00 0.00 C ATOM 583 O ILE A 36 -3.796 1.671 -5.648 1.00 0.00 O ATOM 584 CB ILE A 36 -4.170 1.516 -2.805 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.765 1.317 -1.409 1.00 0.00 C ATOM 586 CG2 ILE A 36 -2.972 2.452 -2.747 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.758 0.844 -0.385 1.00 0.00 C ATOM 0 H ILE A 36 -6.163 0.479 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.690 2.954 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.833 0.548 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.200 2.257 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.578 0.593 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.227 2.048 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.536 2.547 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.293 3.433 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.250 0.725 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.340 -0.112 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.957 1.578 -0.296 1.00 0.00 H new ATOM 599 N SER A 37 -4.868 3.648 -5.571 1.00 0.00 N ATOM 600 CA SER A 37 -4.298 4.131 -6.823 1.00 0.00 C ATOM 601 C SER A 37 -3.388 5.331 -6.578 1.00 0.00 C ATOM 602 O SER A 37 -3.687 6.193 -5.752 1.00 0.00 O ATOM 603 CB SER A 37 -5.411 4.513 -7.801 1.00 0.00 C ATOM 604 OG SER A 37 -5.854 5.840 -7.577 1.00 0.00 O ATOM 0 H SER A 37 -5.503 4.304 -5.116 1.00 0.00 H new ATOM 0 HA SER A 37 -3.703 3.327 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.049 4.415 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.248 3.824 -7.691 1.00 0.00 H new ATOM 0 HG SER A 37 -5.416 6.443 -8.214 1.00 0.00 H new ATOM 610 N TYR A 38 -2.275 5.378 -7.302 1.00 0.00 N ATOM 611 CA TYR A 38 -1.318 6.469 -7.163 1.00 0.00 C ATOM 612 C TYR A 38 -1.109 7.183 -8.495 1.00 0.00 C ATOM 613 O TYR A 38 -0.854 6.549 -9.519 1.00 0.00 O ATOM 614 CB TYR A 38 0.018 5.940 -6.639 1.00 0.00 C ATOM 615 CG TYR A 38 0.578 4.795 -7.454 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.002 3.534 -7.406 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.685 4.976 -8.273 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.506 2.485 -8.148 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.199 3.934 -9.020 1.00 0.00 C ATOM 620 CZ TYR A 38 1.607 2.690 -8.953 1.00 0.00 C ATOM 621 OH TYR A 38 2.115 1.649 -9.695 1.00 0.00 O ATOM 0 H TYR A 38 -2.013 4.673 -7.991 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.723 7.185 -6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.742 6.755 -6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.110 5.612 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.865 3.371 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.152 5.948 -8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.044 1.510 -8.098 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.060 4.092 -9.653 1.00 0.00 H new ATOM 0 HH TYR A 38 2.890 1.961 -10.208 1.00 0.00 H new ATOM 631 N TYR A 39 -1.217 8.507 -8.472 1.00 0.00 N ATOM 632 CA TYR A 39 -1.041 9.309 -9.677 1.00 0.00 C ATOM 633 C TYR A 39 0.290 10.054 -9.646 1.00 0.00 C ATOM 634 O TYR A 39 0.593 10.767 -8.690 1.00 0.00 O ATOM 635 CB TYR A 39 -2.193 10.305 -9.824 1.00 0.00 C ATOM 636 CG TYR A 39 -3.559 9.657 -9.813 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.170 9.298 -8.618 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.238 9.401 -10.998 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.418 8.706 -8.603 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.487 8.810 -10.993 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.072 8.464 -9.793 1.00 0.00 C ATOM 642 OH TYR A 39 -7.315 7.874 -9.783 1.00 0.00 O ATOM 0 H TYR A 39 -1.426 9.047 -7.632 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.040 8.636 -10.534 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.139 11.032 -9.014 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.069 10.856 -10.756 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.660 9.485 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.782 9.669 -11.939 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.879 8.434 -7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.002 8.620 -11.923 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.637 7.775 -10.703 1.00 0.00 H new ATOM 652 N VAL A 40 1.080 9.883 -10.701 1.00 0.00 N ATOM 653 CA VAL A 40 2.378 10.540 -10.798 1.00 0.00 C ATOM 654 C VAL A 40 2.334 11.937 -10.190 1.00 0.00 C ATOM 655 O VAL A 40 3.338 12.435 -9.680 1.00 0.00 O ATOM 656 CB VAL A 40 2.847 10.644 -12.261 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.574 9.375 -12.681 1.00 0.00 C ATOM 658 CG2 VAL A 40 1.667 10.920 -13.180 1.00 0.00 C ATOM 0 H VAL A 40 0.844 9.295 -11.500 1.00 0.00 H new ATOM 0 HA VAL A 40 3.085 9.926 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 40 3.545 11.478 -12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.898 9.467 -13.718 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.444 9.225 -12.041 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.902 8.522 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.017 10.990 -14.210 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.944 10.109 -13.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.194 11.859 -12.893 1.00 0.00 H new ATOM 668 N SER A 41 1.163 12.564 -10.246 1.00 0.00 N ATOM 669 CA SER A 41 0.988 13.906 -9.703 1.00 0.00 C ATOM 670 C SER A 41 -0.218 13.962 -8.772 1.00 0.00 C ATOM 671 O SER A 41 -1.033 13.040 -8.738 1.00 0.00 O ATOM 672 CB SER A 41 0.819 14.919 -10.837 1.00 0.00 C ATOM 673 OG SER A 41 -0.175 14.497 -11.755 1.00 0.00 O ATOM 0 H SER A 41 0.322 12.164 -10.662 1.00 0.00 H new ATOM 0 HA SER A 41 1.880 14.159 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.548 15.890 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.768 15.048 -11.358 1.00 0.00 H new ATOM 0 HG SER A 41 -0.265 15.162 -12.469 1.00 0.00 H new ATOM 679 N GLU A 42 -0.325 15.051 -8.017 1.00 0.00 N ATOM 680 CA GLU A 42 -1.432 15.228 -7.084 1.00 0.00 C ATOM 681 C GLU A 42 -2.619 15.900 -7.768 1.00 0.00 C ATOM 682 O GLU A 42 -3.352 16.670 -7.148 1.00 0.00 O ATOM 683 CB GLU A 42 -0.986 16.059 -5.880 1.00 0.00 C ATOM 684 CG GLU A 42 -0.791 17.533 -6.196 1.00 0.00 C ATOM 685 CD GLU A 42 -0.129 18.291 -5.062 1.00 0.00 C ATOM 686 OE1 GLU A 42 0.489 17.640 -4.194 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.228 19.536 -5.044 1.00 0.00 O ATOM 0 H GLU A 42 0.341 15.823 -8.033 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.744 14.242 -6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.727 15.961 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.051 15.652 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.184 17.630 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.759 17.985 -6.414 1.00 0.00 H new ATOM 694 N ASP A 43 -2.801 15.603 -9.050 1.00 0.00 N ATOM 695 CA ASP A 43 -3.898 16.177 -9.820 1.00 0.00 C ATOM 696 C ASP A 43 -5.013 15.156 -10.022 1.00 0.00 C ATOM 697 O ASP A 43 -6.153 15.515 -10.319 1.00 0.00 O ATOM 698 CB ASP A 43 -3.393 16.674 -11.175 1.00 0.00 C ATOM 699 CG ASP A 43 -2.565 17.938 -11.057 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.725 18.014 -10.135 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.757 18.853 -11.885 1.00 0.00 O ATOM 0 H ASP A 43 -2.203 14.968 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.300 17.021 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.794 15.894 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.244 16.861 -11.830 1.00 0.00 H new ATOM 706 N LEU A 44 -4.677 13.881 -9.859 1.00 0.00 N ATOM 707 CA LEU A 44 -5.650 12.806 -10.025 1.00 0.00 C ATOM 708 C LEU A 44 -6.114 12.711 -11.474 1.00 0.00 C ATOM 709 O LEU A 44 -7.295 12.489 -11.746 1.00 0.00 O ATOM 710 CB LEU A 44 -6.851 13.033 -9.106 1.00 0.00 C ATOM 711 CG LEU A 44 -6.531 13.286 -7.632 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.793 13.654 -6.867 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.867 12.065 -7.013 1.00 0.00 C ATOM 0 H LEU A 44 -3.739 13.566 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.167 11.867 -9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.417 13.884 -9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.503 12.162 -9.171 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.836 14.123 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.546 13.830 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.227 14.558 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.512 12.838 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.647 12.263 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.538 11.209 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.940 11.847 -7.544 1.00 0.00 H new ATOM 725 N LYS A 45 -5.178 12.877 -12.402 1.00 0.00 N ATOM 726 CA LYS A 45 -5.490 12.807 -13.825 1.00 0.00 C ATOM 727 C LYS A 45 -4.649 11.736 -14.514 1.00 0.00 C ATOM 728 O LYS A 45 -5.133 11.024 -15.393 1.00 0.00 O ATOM 729 CB LYS A 45 -5.250 14.164 -14.489 1.00 0.00 C ATOM 730 CG LYS A 45 -6.026 15.301 -13.846 1.00 0.00 C ATOM 731 CD LYS A 45 -6.100 16.513 -14.760 1.00 0.00 C ATOM 732 CE LYS A 45 -7.017 16.260 -15.947 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.536 17.530 -16.527 1.00 0.00 N ATOM 0 H LYS A 45 -4.196 13.061 -12.194 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.542 12.541 -13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.185 14.395 -14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.524 14.098 -15.542 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.034 14.964 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.550 15.581 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.461 17.373 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.101 16.762 -15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.475 15.706 -16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.853 15.635 -15.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.157 17.315 -17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.075 18.047 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.739 18.115 -16.850 1.00 0.00 H new ATOM 747 N ASP A 46 -3.389 11.629 -14.107 1.00 0.00 N ATOM 748 CA ASP A 46 -2.481 10.644 -14.684 1.00 0.00 C ATOM 749 C ASP A 46 -2.277 9.470 -13.731 1.00 0.00 C ATOM 750 O ASP A 46 -1.532 9.569 -12.756 1.00 0.00 O ATOM 751 CB ASP A 46 -1.134 11.290 -15.012 1.00 0.00 C ATOM 752 CG ASP A 46 -0.425 10.600 -16.160 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.112 10.179 -17.115 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.816 10.481 -16.105 1.00 0.00 O ATOM 0 H ASP A 46 -2.973 12.212 -13.380 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.929 10.269 -15.604 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.289 12.339 -15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.497 11.264 -14.128 1.00 0.00 H new ATOM 759 N LYS A 47 -2.946 8.358 -14.019 1.00 0.00 N ATOM 760 CA LYS A 47 -2.839 7.164 -13.189 1.00 0.00 C ATOM 761 C LYS A 47 -1.760 6.227 -13.720 1.00 0.00 C ATOM 762 O LYS A 47 -1.558 6.118 -14.930 1.00 0.00 O ATOM 763 CB LYS A 47 -4.183 6.433 -13.135 1.00 0.00 C ATOM 764 CG LYS A 47 -4.230 5.322 -12.101 1.00 0.00 C ATOM 765 CD LYS A 47 -5.657 4.874 -11.828 1.00 0.00 C ATOM 766 CE LYS A 47 -6.234 4.105 -13.006 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.700 3.888 -12.862 1.00 0.00 N ATOM 0 H LYS A 47 -3.568 8.259 -14.821 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.561 7.476 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.971 7.154 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.398 6.013 -14.117 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.642 4.473 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.772 5.667 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.678 4.247 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.279 5.744 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.037 4.652 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.731 3.142 -13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.055 3.360 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.887 3.345 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.183 4.807 -12.805 1.00 0.00 H new ATOM 781 N LYS A 48 -1.070 5.549 -12.809 1.00 0.00 N ATOM 782 CA LYS A 48 -0.012 4.618 -13.186 1.00 0.00 C ATOM 783 C LYS A 48 -0.481 3.174 -13.037 1.00 0.00 C ATOM 784 O LYS A 48 -0.211 2.333 -13.893 1.00 0.00 O ATOM 785 CB LYS A 48 1.232 4.853 -12.326 1.00 0.00 C ATOM 786 CG LYS A 48 2.198 5.865 -12.918 1.00 0.00 C ATOM 787 CD LYS A 48 3.189 5.205 -13.862 1.00 0.00 C ATOM 788 CE LYS A 48 3.699 6.183 -14.908 1.00 0.00 C ATOM 789 NZ LYS A 48 2.843 6.189 -16.127 1.00 0.00 N ATOM 0 H LYS A 48 -1.224 5.627 -11.804 1.00 0.00 H new ATOM 0 HA LYS A 48 0.239 4.794 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.922 5.194 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.752 3.905 -12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.639 6.632 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.738 6.367 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.029 4.810 -13.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.713 4.358 -14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.731 7.186 -14.482 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.721 5.920 -15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.224 6.869 -16.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.832 5.238 -16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.874 6.464 -15.869 1.00 0.00 H new ATOM 803 N GLY A 49 -1.185 2.895 -11.944 1.00 0.00 N ATOM 804 CA GLY A 49 -1.680 1.552 -11.704 1.00 0.00 C ATOM 805 C GLY A 49 -2.728 1.507 -10.610 1.00 0.00 C ATOM 806 O GLY A 49 -3.211 2.547 -10.161 1.00 0.00 O ATOM 0 H GLY A 49 -1.421 3.575 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.104 1.154 -12.626 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.847 0.904 -11.431 1.00 0.00 H new ATOM 810 N ASP A 50 -3.082 0.301 -10.181 1.00 0.00 N ATOM 811 CA ASP A 50 -4.080 0.125 -9.132 1.00 0.00 C ATOM 812 C ASP A 50 -3.776 -1.113 -8.294 1.00 0.00 C ATOM 813 O ASP A 50 -3.352 -2.142 -8.821 1.00 0.00 O ATOM 814 CB ASP A 50 -5.478 0.011 -9.743 1.00 0.00 C ATOM 815 CG ASP A 50 -5.540 -1.014 -10.858 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.188 -0.667 -12.005 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.941 -2.165 -10.584 1.00 0.00 O ATOM 0 H ASP A 50 -2.693 -0.570 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.045 0.999 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.191 -0.260 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.783 0.983 -10.130 1.00 0.00 H new ATOM 822 N ILE A 51 -3.993 -1.005 -6.988 1.00 0.00 N ATOM 823 CA ILE A 51 -3.742 -2.115 -6.078 1.00 0.00 C ATOM 824 C ILE A 51 -5.039 -2.622 -5.457 1.00 0.00 C ATOM 825 O ILE A 51 -5.500 -2.099 -4.441 1.00 0.00 O ATOM 826 CB ILE A 51 -2.771 -1.711 -4.952 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.498 -1.101 -5.541 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.435 -2.916 -4.085 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.717 -0.261 -4.555 1.00 0.00 C ATOM 0 H ILE A 51 -4.342 -0.160 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.290 -2.911 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.255 -0.961 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.858 -1.903 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.764 -0.485 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.748 -2.615 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.349 -3.311 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.967 -3.686 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.172 0.139 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.340 0.562 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.420 -0.878 -3.707 1.00 0.00 H new ATOM 841 N LEU A 52 -5.624 -3.643 -6.073 1.00 0.00 N ATOM 842 CA LEU A 52 -6.868 -4.223 -5.581 1.00 0.00 C ATOM 843 C LEU A 52 -6.743 -4.613 -4.111 1.00 0.00 C ATOM 844 O LEU A 52 -6.059 -5.578 -3.770 1.00 0.00 O ATOM 845 CB LEU A 52 -7.248 -5.448 -6.415 1.00 0.00 C ATOM 846 CG LEU A 52 -7.221 -5.262 -7.932 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.374 -6.601 -8.637 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.313 -4.298 -8.371 1.00 0.00 C ATOM 0 H LEU A 52 -5.256 -4.086 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.652 -3.471 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.571 -6.262 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.251 -5.763 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.256 -4.837 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.352 -6.449 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.556 -7.260 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.324 -7.055 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.278 -4.178 -9.454 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.286 -4.694 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.158 -3.331 -7.893 1.00 0.00 H new ATOM 860 N LEU A 53 -7.411 -3.858 -3.246 1.00 0.00 N ATOM 861 CA LEU A 53 -7.377 -4.125 -1.812 1.00 0.00 C ATOM 862 C LEU A 53 -8.293 -5.291 -1.454 1.00 0.00 C ATOM 863 O LEU A 53 -9.453 -5.330 -1.864 1.00 0.00 O ATOM 864 CB LEU A 53 -7.791 -2.877 -1.031 1.00 0.00 C ATOM 865 CG LEU A 53 -6.719 -1.797 -0.874 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.312 -0.545 -0.248 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.558 -2.316 -0.039 1.00 0.00 C ATOM 0 H LEU A 53 -7.983 -3.056 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.356 -4.393 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.655 -2.434 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.116 -3.186 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.341 -1.539 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.535 0.213 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.109 -0.162 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.717 -0.786 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.805 -1.535 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.919 -2.602 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.117 -3.184 -0.529 1.00 0.00 H new ATOM 879 N ASP A 54 -7.766 -6.236 -0.684 1.00 0.00 N ATOM 880 CA ASP A 54 -8.537 -7.401 -0.267 1.00 0.00 C ATOM 881 C ASP A 54 -7.969 -7.998 1.016 1.00 0.00 C ATOM 882 O ASP A 54 -6.786 -7.838 1.316 1.00 0.00 O ATOM 883 CB ASP A 54 -8.547 -8.456 -1.374 1.00 0.00 C ATOM 884 CG ASP A 54 -9.157 -7.939 -2.662 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.393 -8.035 -2.814 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.398 -7.436 -3.517 1.00 0.00 O ATOM 0 H ASP A 54 -6.807 -6.218 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.560 -7.078 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.526 -8.786 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.106 -9.328 -1.035 1.00 0.00 H new ATOM 891 N GLU A 55 -8.820 -8.686 1.771 1.00 0.00 N ATOM 892 CA GLU A 55 -8.402 -9.305 3.023 1.00 0.00 C ATOM 893 C GLU A 55 -6.957 -9.790 2.935 1.00 0.00 C ATOM 894 O GLU A 55 -6.156 -9.554 3.838 1.00 0.00 O ATOM 895 CB GLU A 55 -9.323 -10.476 3.372 1.00 0.00 C ATOM 896 CG GLU A 55 -9.412 -11.528 2.279 1.00 0.00 C ATOM 897 CD GLU A 55 -10.592 -12.462 2.464 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.047 -12.622 3.616 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.059 -13.034 1.457 1.00 0.00 O ATOM 0 H GLU A 55 -9.803 -8.829 1.537 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.468 -8.553 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.967 -10.946 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.322 -10.092 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.492 -11.035 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.491 -12.111 2.265 1.00 0.00 H new ATOM 906 N ASN A 56 -6.634 -10.470 1.840 1.00 0.00 N ATOM 907 CA ASN A 56 -5.287 -10.990 1.633 1.00 0.00 C ATOM 908 C ASN A 56 -4.246 -9.889 1.813 1.00 0.00 C ATOM 909 O ASN A 56 -3.307 -10.029 2.597 1.00 0.00 O ATOM 910 CB ASN A 56 -5.162 -11.601 0.236 1.00 0.00 C ATOM 911 CG ASN A 56 -5.518 -13.075 0.217 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.665 -13.928 -0.030 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.784 -13.382 0.478 1.00 0.00 N ATOM 0 H ASN A 56 -7.286 -10.674 1.083 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.105 -11.764 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.814 -11.063 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.142 -11.472 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.082 -14.357 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.457 -12.642 0.677 1.00 0.00 H new ATOM 920 N CYS A 57 -4.419 -8.793 1.082 1.00 0.00 N ATOM 921 CA CYS A 57 -3.496 -7.668 1.159 1.00 0.00 C ATOM 922 C CYS A 57 -3.401 -7.139 2.588 1.00 0.00 C ATOM 923 O CYS A 57 -4.365 -7.208 3.351 1.00 0.00 O ATOM 924 CB CYS A 57 -3.944 -6.547 0.218 1.00 0.00 C ATOM 925 SG CYS A 57 -3.693 -6.915 -1.548 1.00 0.00 S ATOM 0 H CYS A 57 -5.191 -8.660 0.429 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.510 -8.018 0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.001 -6.344 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.400 -5.637 0.470 1.00 0.00 H new ATOM 930 N CYS A 58 -2.234 -6.613 2.941 1.00 0.00 N ATOM 931 CA CYS A 58 -2.012 -6.073 4.278 1.00 0.00 C ATOM 932 C CYS A 58 -0.793 -5.157 4.300 1.00 0.00 C ATOM 933 O CYS A 58 0.028 -5.177 3.382 1.00 0.00 O ATOM 934 CB CYS A 58 -1.830 -7.209 5.286 1.00 0.00 C ATOM 935 SG CYS A 58 -0.434 -8.300 4.924 1.00 0.00 S ATOM 0 H CYS A 58 -1.427 -6.549 2.321 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.888 -5.487 4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.695 -6.781 6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.743 -7.803 5.317 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.361 -9.227 5.833 1.00 0.00 H new ATOM 941 N VAL A 59 -0.681 -4.354 5.353 1.00 0.00 N ATOM 942 CA VAL A 59 0.438 -3.430 5.494 1.00 0.00 C ATOM 943 C VAL A 59 1.353 -3.846 6.640 1.00 0.00 C ATOM 944 O VAL A 59 0.891 -4.342 7.667 1.00 0.00 O ATOM 945 CB VAL A 59 -0.051 -1.990 5.738 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.883 -1.917 7.009 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.129 -1.032 5.808 1.00 0.00 C ATOM 0 H VAL A 59 -1.352 -4.325 6.121 1.00 0.00 H new ATOM 0 HA VAL A 59 0.996 -3.463 4.558 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.683 -1.692 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.220 -0.892 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.748 -2.573 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.278 -2.233 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.766 -0.019 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.788 -1.325 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.680 -1.064 4.868 1.00 0.00 H new ATOM 957 N GLU A 60 2.654 -3.639 6.457 1.00 0.00 N ATOM 958 CA GLU A 60 3.634 -3.993 7.477 1.00 0.00 C ATOM 959 C GLU A 60 4.551 -2.813 7.783 1.00 0.00 C ATOM 960 O GLU A 60 4.570 -1.822 7.053 1.00 0.00 O ATOM 961 CB GLU A 60 4.465 -5.195 7.022 1.00 0.00 C ATOM 962 CG GLU A 60 3.627 -6.388 6.595 1.00 0.00 C ATOM 963 CD GLU A 60 4.349 -7.707 6.787 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.590 -7.730 6.643 1.00 0.00 O ATOM 965 OE2 GLU A 60 3.675 -8.717 7.080 1.00 0.00 O ATOM 0 H GLU A 60 3.053 -3.228 5.613 1.00 0.00 H new ATOM 0 HA GLU A 60 3.095 -4.257 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.101 -4.892 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.125 -5.498 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.700 -6.399 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.353 -6.278 5.546 1.00 0.00 H new ATOM 972 N SER A 61 5.311 -2.927 8.868 1.00 0.00 N ATOM 973 CA SER A 61 6.228 -1.869 9.274 1.00 0.00 C ATOM 974 C SER A 61 7.674 -2.262 8.986 1.00 0.00 C ATOM 975 O SER A 61 8.249 -3.106 9.675 1.00 0.00 O ATOM 976 CB SER A 61 6.058 -1.561 10.763 1.00 0.00 C ATOM 977 OG SER A 61 6.483 -2.652 11.561 1.00 0.00 O ATOM 0 H SER A 61 5.309 -3.742 9.482 1.00 0.00 H new ATOM 0 HA SER A 61 5.991 -0.976 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.633 -0.672 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.012 -1.337 10.974 1.00 0.00 H new ATOM 0 HG SER A 61 7.326 -3.006 11.209 1.00 0.00 H new ATOM 983 N LEU A 62 8.255 -1.646 7.963 1.00 0.00 N ATOM 984 CA LEU A 62 9.635 -1.930 7.583 1.00 0.00 C ATOM 985 C LEU A 62 10.613 -1.270 8.549 1.00 0.00 C ATOM 986 O LEU A 62 10.306 -0.267 9.193 1.00 0.00 O ATOM 987 CB LEU A 62 9.902 -1.445 6.157 1.00 0.00 C ATOM 988 CG LEU A 62 9.271 -2.272 5.037 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.559 -1.644 3.682 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.781 -3.706 5.081 1.00 0.00 C ATOM 0 H LEU A 62 7.793 -0.947 7.382 1.00 0.00 H new ATOM 0 HA LEU A 62 9.783 -3.009 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.543 -0.419 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.980 -1.420 5.999 1.00 0.00 H new ATOM 0 HG LEU A 62 8.191 -2.286 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.102 -2.247 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.145 -0.636 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.636 -1.599 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.321 -4.280 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.864 -3.711 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.523 -4.155 6.040 1.00 0.00 H new ATOM 1002 N PRO A 63 11.822 -1.844 8.651 1.00 0.00 N ATOM 1003 CA PRO A 63 12.871 -1.326 9.534 1.00 0.00 C ATOM 1004 C PRO A 63 13.435 0.004 9.046 1.00 0.00 C ATOM 1005 O PRO A 63 12.896 0.617 8.125 1.00 0.00 O ATOM 1006 CB PRO A 63 13.946 -2.414 9.483 1.00 0.00 C ATOM 1007 CG PRO A 63 13.736 -3.093 8.173 1.00 0.00 C ATOM 1008 CD PRO A 63 12.256 -3.041 7.913 1.00 0.00 C ATOM 0 HA PRO A 63 12.497 -1.124 10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.946 -1.986 9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.841 -3.113 10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.290 -2.591 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.091 -4.123 8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.038 -2.958 6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.753 -3.939 8.272 1.00 0.00 H new ATOM 1016 N ASP A 64 14.523 0.444 9.669 1.00 0.00 N ATOM 1017 CA ASP A 64 15.162 1.701 9.296 1.00 0.00 C ATOM 1018 C ASP A 64 16.372 1.451 8.401 1.00 0.00 C ATOM 1019 O ASP A 64 17.435 1.048 8.874 1.00 0.00 O ATOM 1020 CB ASP A 64 15.587 2.472 10.547 1.00 0.00 C ATOM 1021 CG ASP A 64 16.154 1.565 11.621 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.740 0.520 11.267 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.012 1.898 12.816 1.00 0.00 O ATOM 0 H ASP A 64 14.981 -0.051 10.434 1.00 0.00 H new ATOM 0 HA ASP A 64 14.439 2.297 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.333 3.218 10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.728 3.011 10.947 1.00 0.00 H new ATOM 1028 N LYS A 65 16.203 1.693 7.106 1.00 0.00 N ATOM 1029 CA LYS A 65 17.281 1.496 6.143 1.00 0.00 C ATOM 1030 C LYS A 65 17.263 2.585 5.075 1.00 0.00 C ATOM 1031 O LYS A 65 16.218 3.172 4.791 1.00 0.00 O ATOM 1032 CB LYS A 65 17.158 0.120 5.485 1.00 0.00 C ATOM 1033 CG LYS A 65 16.044 0.034 4.457 1.00 0.00 C ATOM 1034 CD LYS A 65 14.737 -0.418 5.088 1.00 0.00 C ATOM 1035 CE LYS A 65 13.766 -0.945 4.042 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.408 0.098 3.042 1.00 0.00 N ATOM 0 H LYS A 65 15.329 2.026 6.698 1.00 0.00 H new ATOM 0 HA LYS A 65 18.228 1.553 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.104 -0.129 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.986 -0.629 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.905 1.008 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.328 -0.662 3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.937 -1.196 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.281 0.416 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.210 -1.800 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.861 -1.302 4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.383 0.274 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.917 0.978 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.673 -0.228 2.091 1.00 0.00 H new ATOM 1050 N ASP A 66 18.424 2.849 4.487 1.00 0.00 N ATOM 1051 CA ASP A 66 18.541 3.866 3.448 1.00 0.00 C ATOM 1052 C ASP A 66 18.310 5.260 4.024 1.00 0.00 C ATOM 1053 O ASP A 66 17.654 6.097 3.405 1.00 0.00 O ATOM 1054 CB ASP A 66 17.542 3.593 2.323 1.00 0.00 C ATOM 1055 CG ASP A 66 17.885 4.341 1.050 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.087 4.577 0.805 1.00 0.00 O ATOM 1057 OD2 ASP A 66 16.952 4.690 0.297 1.00 0.00 O ATOM 0 H ASP A 66 19.298 2.373 4.712 1.00 0.00 H new ATOM 0 HA ASP A 66 19.552 3.823 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.515 2.523 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.543 3.879 2.651 1.00 0.00 H new ATOM 1062 N GLY A 67 18.852 5.501 5.213 1.00 0.00 N ATOM 1063 CA GLY A 67 18.693 6.793 5.853 1.00 0.00 C ATOM 1064 C GLY A 67 17.238 7.162 6.060 1.00 0.00 C ATOM 1065 O GLY A 67 16.810 8.260 5.701 1.00 0.00 O ATOM 0 H GLY A 67 19.399 4.824 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.203 6.783 6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.176 7.558 5.245 1.00 0.00 H new ATOM 1069 N LYS A 68 16.473 6.243 6.640 1.00 0.00 N ATOM 1070 CA LYS A 68 15.056 6.476 6.895 1.00 0.00 C ATOM 1071 C LYS A 68 14.728 6.272 8.370 1.00 0.00 C ATOM 1072 O LYS A 68 15.565 5.808 9.145 1.00 0.00 O ATOM 1073 CB LYS A 68 14.202 5.539 6.037 1.00 0.00 C ATOM 1074 CG LYS A 68 14.270 5.845 4.551 1.00 0.00 C ATOM 1075 CD LYS A 68 13.526 7.126 4.210 1.00 0.00 C ATOM 1076 CE LYS A 68 14.016 7.723 2.900 1.00 0.00 C ATOM 1077 NZ LYS A 68 15.284 8.483 3.077 1.00 0.00 N ATOM 0 H LYS A 68 16.811 5.329 6.943 1.00 0.00 H new ATOM 0 HA LYS A 68 14.830 7.509 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.526 4.512 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.165 5.603 6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.312 5.936 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.844 5.015 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.458 6.920 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.659 7.850 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.169 6.926 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.250 8.384 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.096 9.501 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.673 8.295 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.971 8.185 2.355 1.00 0.00 H new ATOM 1091 N LYS A 69 13.504 6.620 8.753 1.00 0.00 N ATOM 1092 CA LYS A 69 13.063 6.472 10.135 1.00 0.00 C ATOM 1093 C LYS A 69 11.678 5.838 10.199 1.00 0.00 C ATOM 1094 O LYS A 69 11.438 4.928 10.994 1.00 0.00 O ATOM 1095 CB LYS A 69 13.045 7.834 10.834 1.00 0.00 C ATOM 1096 CG LYS A 69 14.415 8.481 10.940 1.00 0.00 C ATOM 1097 CD LYS A 69 14.743 9.298 9.701 1.00 0.00 C ATOM 1098 CE LYS A 69 13.973 10.609 9.678 1.00 0.00 C ATOM 1099 NZ LYS A 69 14.021 11.257 8.338 1.00 0.00 N ATOM 0 H LYS A 69 12.799 7.007 8.125 1.00 0.00 H new ATOM 0 HA LYS A 69 13.767 5.816 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.378 8.503 10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.631 7.714 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.448 9.124 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.173 7.710 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.813 9.503 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.505 8.719 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.935 10.425 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.388 11.287 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.485 12.148 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.010 11.455 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.602 10.621 7.630 1.00 0.00 H new ATOM 1113 N CYS A 70 10.771 6.322 9.358 1.00 0.00 N ATOM 1114 CA CYS A 70 9.409 5.801 9.320 1.00 0.00 C ATOM 1115 C CYS A 70 9.115 5.147 7.974 1.00 0.00 C ATOM 1116 O CYS A 70 8.614 5.795 7.053 1.00 0.00 O ATOM 1117 CB CYS A 70 8.404 6.923 9.586 1.00 0.00 C ATOM 1118 SG CYS A 70 7.992 7.147 11.332 1.00 0.00 S ATOM 0 H CYS A 70 10.954 7.074 8.694 1.00 0.00 H new ATOM 0 HA CYS A 70 9.313 5.045 10.100 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.808 7.858 9.196 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.489 6.715 9.032 1.00 0.00 H new ATOM 0 HG CYS A 70 6.767 6.766 11.541 1.00 0.00 H new ATOM 1124 N LEU A 71 9.430 3.861 7.865 1.00 0.00 N ATOM 1125 CA LEU A 71 9.201 3.119 6.631 1.00 0.00 C ATOM 1126 C LEU A 71 8.068 2.113 6.802 1.00 0.00 C ATOM 1127 O LEU A 71 7.819 1.624 7.905 1.00 0.00 O ATOM 1128 CB LEU A 71 10.480 2.396 6.203 1.00 0.00 C ATOM 1129 CG LEU A 71 11.510 3.242 5.453 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.851 2.528 5.401 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.018 3.560 4.048 1.00 0.00 C ATOM 0 H LEU A 71 9.845 3.311 8.617 1.00 0.00 H new ATOM 0 HA LEU A 71 8.916 3.831 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.956 1.984 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.203 1.552 5.571 1.00 0.00 H new ATOM 0 HG LEU A 71 11.642 4.181 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.571 3.145 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.209 2.352 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.736 1.574 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.764 4.163 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.857 2.632 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.081 4.114 4.107 1.00 0.00 H new ATOM 1143 N PHE A 72 7.386 1.805 5.704 1.00 0.00 N ATOM 1144 CA PHE A 72 6.280 0.855 5.733 1.00 0.00 C ATOM 1145 C PHE A 72 6.006 0.296 4.340 1.00 0.00 C ATOM 1146 O PHE A 72 5.946 1.041 3.360 1.00 0.00 O ATOM 1147 CB PHE A 72 5.018 1.525 6.282 1.00 0.00 C ATOM 1148 CG PHE A 72 4.429 2.547 5.352 1.00 0.00 C ATOM 1149 CD1 PHE A 72 4.824 3.873 5.418 1.00 0.00 C ATOM 1150 CD2 PHE A 72 3.480 2.181 4.411 1.00 0.00 C ATOM 1151 CE1 PHE A 72 4.283 4.815 4.564 1.00 0.00 C ATOM 1152 CE2 PHE A 72 2.935 3.118 3.554 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.338 4.437 3.630 1.00 0.00 C ATOM 0 H PHE A 72 7.580 2.199 4.783 1.00 0.00 H new ATOM 0 HA PHE A 72 6.560 0.030 6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.270 0.759 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.254 2.004 7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.563 4.174 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.162 1.151 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.599 5.846 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.195 2.820 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.915 5.171 2.960 1.00 0.00 H new ATOM 1163 N LEU A 73 5.843 -1.020 4.258 1.00 0.00 N ATOM 1164 CA LEU A 73 5.577 -1.681 2.985 1.00 0.00 C ATOM 1165 C LEU A 73 4.271 -2.466 3.042 1.00 0.00 C ATOM 1166 O LEU A 73 3.885 -2.975 4.095 1.00 0.00 O ATOM 1167 CB LEU A 73 6.732 -2.616 2.622 1.00 0.00 C ATOM 1168 CG LEU A 73 6.479 -3.575 1.459 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.775 -3.875 0.722 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.837 -4.861 1.958 1.00 0.00 C ATOM 0 H LEU A 73 5.890 -1.651 5.058 1.00 0.00 H new ATOM 0 HA LEU A 73 5.485 -0.913 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.604 -2.007 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.987 -3.205 3.503 1.00 0.00 H new ATOM 0 HG LEU A 73 5.792 -3.096 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.575 -4.559 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.194 -2.948 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.487 -4.333 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.664 -5.532 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.500 -5.344 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.887 -4.630 2.439 1.00 0.00 H new ATOM 1182 N VAL A 74 3.594 -2.562 1.902 1.00 0.00 N ATOM 1183 CA VAL A 74 2.332 -3.288 1.821 1.00 0.00 C ATOM 1184 C VAL A 74 2.498 -4.594 1.051 1.00 0.00 C ATOM 1185 O VAL A 74 3.019 -4.608 -0.065 1.00 0.00 O ATOM 1186 CB VAL A 74 1.240 -2.441 1.143 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.009 -3.288 0.854 1.00 0.00 C ATOM 1188 CG2 VAL A 74 0.881 -1.243 2.009 1.00 0.00 C ATOM 0 H VAL A 74 3.898 -2.146 1.022 1.00 0.00 H new ATOM 0 HA VAL A 74 2.027 -3.509 2.844 1.00 0.00 H new ATOM 0 HB VAL A 74 1.628 -2.071 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.752 -2.672 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.280 -4.110 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.384 -3.689 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.108 -0.655 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.512 -1.589 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.766 -0.625 2.160 1.00 0.00 H new ATOM 1198 N LYS A 75 2.052 -5.690 1.654 1.00 0.00 N ATOM 1199 CA LYS A 75 2.149 -7.003 1.026 1.00 0.00 C ATOM 1200 C LYS A 75 0.793 -7.450 0.490 1.00 0.00 C ATOM 1201 O LYS A 75 -0.198 -7.475 1.221 1.00 0.00 O ATOM 1202 CB LYS A 75 2.679 -8.032 2.027 1.00 0.00 C ATOM 1203 CG LYS A 75 4.168 -7.908 2.297 1.00 0.00 C ATOM 1204 CD LYS A 75 4.522 -8.377 3.698 1.00 0.00 C ATOM 1205 CE LYS A 75 4.753 -9.880 3.741 1.00 0.00 C ATOM 1206 NZ LYS A 75 4.598 -10.425 5.118 1.00 0.00 N ATOM 0 H LYS A 75 1.619 -5.696 2.578 1.00 0.00 H new ATOM 0 HA LYS A 75 2.844 -6.928 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.138 -7.924 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.469 -9.033 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.722 -8.496 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.476 -6.870 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.419 -7.860 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.719 -8.111 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.048 -10.375 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.754 -10.104 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.227 -11.395 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.522 -10.432 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.936 -9.829 5.655 1.00 0.00 H new ATOM 1220 N CYS A 76 0.756 -7.805 -0.790 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.478 -8.253 -1.424 1.00 0.00 C ATOM 1222 C CYS A 76 -0.327 -9.671 -1.967 1.00 0.00 C ATOM 1223 O CYS A 76 0.751 -10.263 -1.897 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.868 -7.301 -2.557 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.944 -5.926 -2.035 1.00 0.00 S ATOM 0 H CYS A 76 1.567 -7.791 -1.409 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.265 -8.253 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.039 -6.890 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.375 -7.869 -3.337 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.414 -10.211 -2.507 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.403 -11.560 -3.061 1.00 0.00 C ATOM 1232 C PHE A 77 -0.021 -11.916 -3.599 1.00 0.00 C ATOM 1233 O PHE A 77 0.701 -12.717 -3.006 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.445 -11.685 -4.175 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.811 -12.062 -3.679 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.072 -13.348 -3.236 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.836 -11.129 -3.655 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.328 -13.698 -2.778 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -6.094 -11.473 -3.198 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.341 -12.759 -2.761 1.00 0.00 C ATOM 0 H PHE A 77 -2.314 -9.735 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.652 -12.257 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.510 -10.737 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.109 -12.433 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.284 -14.087 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.649 -10.122 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.517 -14.704 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.883 -10.736 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.324 -13.030 -2.406 1.00 0.00 H new ATOM 1250 N ASP A 78 0.341 -11.315 -4.728 1.00 0.00 N ATOM 1251 CA ASP A 78 1.637 -11.568 -5.347 1.00 0.00 C ATOM 1252 C ASP A 78 2.398 -10.264 -5.564 1.00 0.00 C ATOM 1253 O ASP A 78 3.629 -10.249 -5.600 1.00 0.00 O ATOM 1254 CB ASP A 78 1.456 -12.295 -6.680 1.00 0.00 C ATOM 1255 CG ASP A 78 2.716 -13.011 -7.125 1.00 0.00 C ATOM 1256 OD1 ASP A 78 3.438 -13.538 -6.252 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.979 -13.046 -8.345 1.00 0.00 O ATOM 0 H ASP A 78 -0.245 -10.650 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 78 2.217 -12.199 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.644 -13.017 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.160 -11.577 -7.445 1.00 0.00 H new ATOM 1262 N LYS A 79 1.658 -9.170 -5.710 1.00 0.00 N ATOM 1263 CA LYS A 79 2.263 -7.860 -5.924 1.00 0.00 C ATOM 1264 C LYS A 79 2.668 -7.225 -4.598 1.00 0.00 C ATOM 1265 O LYS A 79 2.049 -7.474 -3.563 1.00 0.00 O ATOM 1266 CB LYS A 79 1.288 -6.941 -6.665 1.00 0.00 C ATOM 1267 CG LYS A 79 1.266 -7.162 -8.167 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.039 -6.686 -8.782 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.159 -7.691 -8.561 1.00 0.00 C ATOM 1270 NZ LYS A 79 -2.502 -7.076 -8.747 1.00 0.00 N ATOM 0 H LYS A 79 0.638 -9.164 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 79 3.159 -7.995 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.284 -7.095 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.555 -5.904 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.100 -6.631 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.405 -8.222 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.319 -5.727 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.099 -6.523 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.042 -8.523 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.084 -8.102 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.238 -7.794 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.625 -6.298 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.583 -6.706 -9.716 1.00 0.00 H new ATOM 1284 N THR A 80 3.712 -6.402 -4.636 1.00 0.00 N ATOM 1285 CA THR A 80 4.200 -5.731 -3.437 1.00 0.00 C ATOM 1286 C THR A 80 4.439 -4.248 -3.696 1.00 0.00 C ATOM 1287 O THR A 80 4.755 -3.846 -4.816 1.00 0.00 O ATOM 1288 CB THR A 80 5.506 -6.369 -2.929 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.431 -6.521 -4.012 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.235 -7.723 -2.292 1.00 0.00 C ATOM 0 H THR A 80 4.236 -6.184 -5.484 1.00 0.00 H new ATOM 0 HA THR A 80 3.429 -5.844 -2.675 1.00 0.00 H new ATOM 0 HB THR A 80 5.936 -5.711 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.260 -6.926 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.173 -8.154 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.554 -7.599 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.783 -8.388 -3.028 1.00 0.00 H new ATOM 1298 N PHE A 81 4.286 -3.438 -2.654 1.00 0.00 N ATOM 1299 CA PHE A 81 4.485 -1.998 -2.769 1.00 0.00 C ATOM 1300 C PHE A 81 5.214 -1.450 -1.546 1.00 0.00 C ATOM 1301 O PHE A 81 4.740 -1.581 -0.418 1.00 0.00 O ATOM 1302 CB PHE A 81 3.140 -1.287 -2.936 1.00 0.00 C ATOM 1303 CG PHE A 81 2.504 -1.516 -4.277 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.933 -2.740 -4.589 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.476 -0.507 -5.226 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.346 -2.953 -5.822 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.890 -0.714 -6.461 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.326 -1.939 -6.759 1.00 0.00 C ATOM 0 H PHE A 81 4.025 -3.754 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 81 5.099 -1.811 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.459 -1.628 -2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.283 -0.217 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.947 -3.537 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.917 0.452 -4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.904 -3.911 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.873 0.081 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.870 -2.104 -7.724 1.00 0.00 H new ATOM 1318 N GLU A 82 6.370 -0.836 -1.779 1.00 0.00 N ATOM 1319 CA GLU A 82 7.165 -0.270 -0.696 1.00 0.00 C ATOM 1320 C GLU A 82 7.055 1.252 -0.678 1.00 0.00 C ATOM 1321 O GLU A 82 7.450 1.925 -1.631 1.00 0.00 O ATOM 1322 CB GLU A 82 8.631 -0.684 -0.839 1.00 0.00 C ATOM 1323 CG GLU A 82 9.456 -0.450 0.415 1.00 0.00 C ATOM 1324 CD GLU A 82 10.737 -1.261 0.432 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.191 -1.675 -0.655 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.284 -1.481 1.532 1.00 0.00 O ATOM 0 H GLU A 82 6.776 -0.718 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 82 6.776 -0.657 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.677 -1.741 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.077 -0.130 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.700 0.609 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.859 -0.704 1.291 1.00 0.00 H new ATOM 1333 N ILE A 83 6.515 1.787 0.412 1.00 0.00 N ATOM 1334 CA ILE A 83 6.353 3.229 0.554 1.00 0.00 C ATOM 1335 C ILE A 83 7.102 3.748 1.777 1.00 0.00 C ATOM 1336 O ILE A 83 7.331 3.012 2.736 1.00 0.00 O ATOM 1337 CB ILE A 83 4.868 3.619 0.672 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.071 3.038 -0.498 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.720 5.133 0.719 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.615 2.788 -0.173 1.00 0.00 C ATOM 0 H ILE A 83 6.183 1.244 1.209 1.00 0.00 H new ATOM 0 HA ILE A 83 6.770 3.684 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 83 4.472 3.205 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.134 3.722 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.531 2.101 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.665 5.393 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.260 5.525 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.130 5.567 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.112 2.376 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.543 2.081 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.139 3.727 0.111 1.00 0.00 H new ATOM 1352 N SER A 84 7.478 5.022 1.736 1.00 0.00 N ATOM 1353 CA SER A 84 8.203 5.640 2.840 1.00 0.00 C ATOM 1354 C SER A 84 7.477 6.887 3.337 1.00 0.00 C ATOM 1355 O SER A 84 7.111 7.760 2.551 1.00 0.00 O ATOM 1356 CB SER A 84 9.624 6.004 2.405 1.00 0.00 C ATOM 1357 OG SER A 84 10.335 6.633 3.458 1.00 0.00 O ATOM 0 H SER A 84 7.293 5.646 0.951 1.00 0.00 H new ATOM 0 HA SER A 84 8.253 4.920 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.153 5.104 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.584 6.668 1.541 1.00 0.00 H new ATOM 0 HG SER A 84 10.639 7.517 3.165 1.00 0.00 H new ATOM 1363 N ALA A 85 7.270 6.960 4.648 1.00 0.00 N ATOM 1364 CA ALA A 85 6.589 8.099 5.251 1.00 0.00 C ATOM 1365 C ALA A 85 7.587 9.166 5.691 1.00 0.00 C ATOM 1366 O ALA A 85 8.659 8.851 6.207 1.00 0.00 O ATOM 1367 CB ALA A 85 5.745 7.645 6.432 1.00 0.00 C ATOM 0 H ALA A 85 7.564 6.244 5.312 1.00 0.00 H new ATOM 0 HA ALA A 85 5.935 8.539 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.242 8.506 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.001 6.925 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.386 7.178 7.179 1.00 0.00 H new ATOM 1373 N SER A 86 7.227 10.428 5.482 1.00 0.00 N ATOM 1374 CA SER A 86 8.093 11.541 5.854 1.00 0.00 C ATOM 1375 C SER A 86 8.124 11.724 7.368 1.00 0.00 C ATOM 1376 O SER A 86 9.186 11.669 7.989 1.00 0.00 O ATOM 1377 CB SER A 86 7.617 12.831 5.183 1.00 0.00 C ATOM 1378 OG SER A 86 8.673 13.771 5.079 1.00 0.00 O ATOM 0 H SER A 86 6.342 10.706 5.057 1.00 0.00 H new ATOM 0 HA SER A 86 9.103 11.313 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.227 12.606 4.190 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.797 13.262 5.757 1.00 0.00 H new ATOM 0 HG SER A 86 8.344 14.586 4.645 1.00 0.00 H new ATOM 1384 N ASP A 87 6.953 11.940 7.955 1.00 0.00 N ATOM 1385 CA ASP A 87 6.844 12.130 9.397 1.00 0.00 C ATOM 1386 C ASP A 87 6.052 10.994 10.037 1.00 0.00 C ATOM 1387 O ASP A 87 5.242 10.340 9.379 1.00 0.00 O ATOM 1388 CB ASP A 87 6.177 13.471 9.708 1.00 0.00 C ATOM 1389 CG ASP A 87 6.576 14.557 8.727 1.00 0.00 C ATOM 1390 OD1 ASP A 87 6.089 14.525 7.578 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.375 15.437 9.109 1.00 0.00 O ATOM 0 H ASP A 87 6.065 11.988 7.455 1.00 0.00 H new ATOM 0 HA ASP A 87 7.851 12.128 9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.094 13.348 9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.445 13.781 10.718 1.00 0.00 H new ATOM 1396 N LYS A 88 6.292 10.763 11.323 1.00 0.00 N ATOM 1397 CA LYS A 88 5.602 9.706 12.053 1.00 0.00 C ATOM 1398 C LYS A 88 4.096 9.781 11.823 1.00 0.00 C ATOM 1399 O LYS A 88 3.437 8.760 11.625 1.00 0.00 O ATOM 1400 CB LYS A 88 5.906 9.810 13.549 1.00 0.00 C ATOM 1401 CG LYS A 88 7.318 9.384 13.914 1.00 0.00 C ATOM 1402 CD LYS A 88 7.597 9.587 15.394 1.00 0.00 C ATOM 1403 CE LYS A 88 7.838 11.053 15.720 1.00 0.00 C ATOM 1404 NZ LYS A 88 7.849 11.300 17.188 1.00 0.00 N ATOM 0 H LYS A 88 6.960 11.294 11.882 1.00 0.00 H new ATOM 0 HA LYS A 88 5.961 8.747 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.751 10.839 13.872 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.196 9.193 14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.460 8.334 13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.035 9.956 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.754 9.217 15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.469 9.000 15.685 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.789 11.369 15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.062 11.661 15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.016 12.310 17.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.932 11.023 17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.606 10.740 17.629 1.00 0.00 H new ATOM 1418 N LYS A 89 3.557 10.995 11.850 1.00 0.00 N ATOM 1419 CA LYS A 89 2.129 11.203 11.642 1.00 0.00 C ATOM 1420 C LYS A 89 1.640 10.438 10.417 1.00 0.00 C ATOM 1421 O LYS A 89 0.771 9.573 10.518 1.00 0.00 O ATOM 1422 CB LYS A 89 1.829 12.695 11.479 1.00 0.00 C ATOM 1423 CG LYS A 89 0.434 13.088 11.933 1.00 0.00 C ATOM 1424 CD LYS A 89 0.346 13.183 13.447 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.079 13.447 13.907 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.300 13.004 15.312 1.00 0.00 N ATOM 0 H LYS A 89 4.088 11.850 12.014 1.00 0.00 H new ATOM 0 HA LYS A 89 1.601 10.826 12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.562 13.268 12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.952 12.969 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.163 14.047 11.491 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.287 12.355 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.707 12.256 13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.998 13.982 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.296 14.512 13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.775 12.927 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.283 13.201 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.118 11.983 15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.654 13.518 15.944 1.00 0.00 H new ATOM 1440 N LYS A 90 2.205 10.762 9.259 1.00 0.00 N ATOM 1441 CA LYS A 90 1.830 10.104 8.013 1.00 0.00 C ATOM 1442 C LYS A 90 2.003 8.593 8.122 1.00 0.00 C ATOM 1443 O LYS A 90 1.073 7.830 7.858 1.00 0.00 O ATOM 1444 CB LYS A 90 2.673 10.642 6.854 1.00 0.00 C ATOM 1445 CG LYS A 90 2.012 11.782 6.099 1.00 0.00 C ATOM 1446 CD LYS A 90 1.935 13.041 6.946 1.00 0.00 C ATOM 1447 CE LYS A 90 1.034 14.088 6.309 1.00 0.00 C ATOM 1448 NZ LYS A 90 0.623 15.135 7.285 1.00 0.00 N ATOM 0 H LYS A 90 2.925 11.477 9.157 1.00 0.00 H new ATOM 0 HA LYS A 90 0.779 10.319 7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.633 10.983 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.880 9.829 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.573 11.989 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.008 11.485 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.559 12.791 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.935 13.453 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.555 14.555 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.147 13.604 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.010 15.829 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.104 14.693 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.468 15.615 7.656 1.00 0.00 H new ATOM 1462 N LYS A 91 3.198 8.165 8.516 1.00 0.00 N ATOM 1463 CA LYS A 91 3.492 6.745 8.663 1.00 0.00 C ATOM 1464 C LYS A 91 2.346 6.021 9.363 1.00 0.00 C ATOM 1465 O LYS A 91 1.665 5.191 8.761 1.00 0.00 O ATOM 1466 CB LYS A 91 4.789 6.551 9.453 1.00 0.00 C ATOM 1467 CG LYS A 91 5.311 5.125 9.425 1.00 0.00 C ATOM 1468 CD LYS A 91 4.587 4.247 10.433 1.00 0.00 C ATOM 1469 CE LYS A 91 5.463 3.092 10.895 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.324 3.476 12.048 1.00 0.00 N ATOM 0 H LYS A 91 3.979 8.782 8.739 1.00 0.00 H new ATOM 0 HA LYS A 91 3.613 6.320 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.553 7.216 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.622 6.847 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.187 4.711 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.379 5.123 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.290 4.847 11.293 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.673 3.856 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.833 2.249 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.090 2.759 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.906 2.662 12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.943 4.264 11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.725 3.770 12.846 1.00 0.00 H new ATOM 1484 N GLN A 92 2.138 6.343 10.636 1.00 0.00 N ATOM 1485 CA GLN A 92 1.073 5.724 11.415 1.00 0.00 C ATOM 1486 C GLN A 92 -0.275 5.885 10.721 1.00 0.00 C ATOM 1487 O GLN A 92 -0.867 4.910 10.259 1.00 0.00 O ATOM 1488 CB GLN A 92 1.015 6.336 12.816 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.157 5.842 13.648 1.00 0.00 C ATOM 1490 CD GLN A 92 0.134 5.862 15.136 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.546 6.884 15.686 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.079 4.730 15.796 1.00 0.00 N ATOM 0 H GLN A 92 2.693 7.028 11.149 1.00 0.00 H new ATOM 0 HA GLN A 92 1.292 4.660 11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.943 6.110 13.341 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.955 7.421 12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.030 6.462 13.444 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.410 4.826 13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.421 3.907 15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.099 4.683 16.799 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.755 7.123 10.651 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.034 7.412 10.013 1.00 0.00 C ATOM 1503 C GLU A 93 -2.240 6.531 8.784 1.00 0.00 C ATOM 1504 O GLU A 93 -3.221 5.792 8.695 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.110 8.887 9.616 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.184 9.834 10.801 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.598 10.008 11.322 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.541 9.959 10.506 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.760 10.191 12.547 1.00 0.00 O ATOM 0 H GLU A 93 -0.277 7.942 11.028 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.826 7.196 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.236 9.138 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.985 9.040 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.549 9.457 11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.786 10.806 10.510 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.310 6.616 7.841 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.389 5.827 6.616 1.00 0.00 C ATOM 1518 C TRP A 94 -1.596 4.350 6.932 1.00 0.00 C ATOM 1519 O TRP A 94 -2.655 3.789 6.652 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.119 6.010 5.784 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.199 7.155 4.821 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.286 8.418 5.007 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.803 7.142 3.523 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.020 9.191 3.902 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.646 8.431 2.977 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.458 6.166 2.767 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.122 8.767 1.713 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -1.930 6.502 1.512 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.760 7.793 0.995 1.00 0.00 C ATOM 0 H TRP A 94 -0.492 7.223 7.900 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.245 6.180 6.041 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.726 6.167 6.454 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.079 5.092 5.230 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.802 8.759 5.892 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.277 10.172 3.789 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.593 5.168 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.992 9.762 1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.439 5.756 0.919 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.140 8.024 0.011 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.579 3.726 7.518 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.652 2.315 7.873 1.00 0.00 C ATOM 1542 C ILE A 95 -1.996 1.976 8.508 1.00 0.00 C ATOM 1543 O ILE A 95 -2.706 1.086 8.043 1.00 0.00 O ATOM 1544 CB ILE A 95 0.477 1.920 8.843 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.840 2.087 8.170 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.288 0.487 9.321 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.960 1.361 8.883 1.00 0.00 C ATOM 0 H ILE A 95 0.305 4.176 7.757 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.539 1.750 6.948 1.00 0.00 H new ATOM 0 HB ILE A 95 0.438 2.580 9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.777 1.723 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.082 3.148 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.094 0.223 10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.669 0.398 9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.304 -0.187 8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.897 1.524 8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.051 1.742 9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.741 0.294 8.913 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.338 2.694 9.573 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.598 2.470 10.272 1.00 0.00 C ATOM 1561 C GLN A 96 -4.776 2.537 9.305 1.00 0.00 C ATOM 1562 O GLN A 96 -5.661 1.682 9.330 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.778 3.502 11.387 1.00 0.00 C ATOM 1564 CG GLN A 96 -2.913 3.236 12.608 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.413 3.954 13.845 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.252 4.852 13.760 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -2.900 3.562 15.006 1.00 0.00 N ATOM 0 H GLN A 96 -1.761 3.435 9.970 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.569 1.473 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.544 4.492 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.825 3.518 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.884 2.164 12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.890 3.550 12.399 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.207 2.814 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.199 4.009 15.873 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.780 3.559 8.456 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.848 3.737 7.480 1.00 0.00 C ATOM 1578 C ALA A 97 -5.955 2.528 6.556 1.00 0.00 C ATOM 1579 O ALA A 97 -7.009 1.899 6.461 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.618 5.004 6.670 1.00 0.00 C ATOM 0 H ALA A 97 -4.056 4.276 8.424 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.789 3.832 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.423 5.124 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.600 5.865 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.665 4.932 6.145 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.858 2.210 5.877 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.828 1.077 4.961 1.00 0.00 C ATOM 1588 C ILE A 98 -5.239 -0.211 5.667 1.00 0.00 C ATOM 1589 O ILE A 98 -6.162 -0.902 5.235 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.430 0.887 4.344 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.969 2.179 3.665 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.441 -0.265 3.350 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.468 2.363 3.672 1.00 0.00 C ATOM 0 H ILE A 98 -3.978 2.721 5.944 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.540 1.296 4.165 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.727 0.646 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.323 2.184 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.433 3.029 4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.446 -0.386 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.731 -1.183 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.154 -0.052 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.214 3.299 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.110 2.390 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.997 1.533 3.146 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.547 -0.528 6.757 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.841 -1.733 7.525 1.00 0.00 C ATOM 1607 C HIS A 99 -6.336 -1.846 7.808 1.00 0.00 C ATOM 1608 O HIS A 99 -6.964 -2.855 7.487 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.061 -1.728 8.840 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.712 -3.097 9.335 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.415 -3.557 9.426 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.499 -4.109 9.770 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.419 -4.793 9.893 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.672 -5.151 10.110 1.00 0.00 N ATOM 0 H HIS A 99 -3.780 0.032 7.128 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.535 -2.595 6.932 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.144 -1.154 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.650 -1.215 9.600 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.577 -4.099 9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.547 -5.406 10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.976 -6.055 10.472 1.00 0.00 H new ATOM 1623 N SER A 100 -6.900 -0.804 8.410 1.00 0.00 N ATOM 1624 CA SER A 100 -8.320 -0.788 8.740 1.00 0.00 C ATOM 1625 C SER A 100 -9.171 -0.972 7.487 1.00 0.00 C ATOM 1626 O SER A 100 -10.075 -1.807 7.452 1.00 0.00 O ATOM 1627 CB SER A 100 -8.690 0.525 9.433 1.00 0.00 C ATOM 1628 OG SER A 100 -8.151 0.579 10.743 1.00 0.00 O ATOM 0 H SER A 100 -6.395 0.040 8.679 1.00 0.00 H new ATOM 0 HA SER A 100 -8.519 -1.617 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.318 1.366 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.775 0.623 9.478 1.00 0.00 H new ATOM 0 HG SER A 100 -7.236 0.927 10.706 1.00 0.00 H new ATOM 1634 N THR A 101 -8.875 -0.184 6.457 1.00 0.00 N ATOM 1635 CA THR A 101 -9.612 -0.258 5.202 1.00 0.00 C ATOM 1636 C THR A 101 -9.784 -1.703 4.750 1.00 0.00 C ATOM 1637 O THR A 101 -10.865 -2.102 4.315 1.00 0.00 O ATOM 1638 CB THR A 101 -8.903 0.536 4.088 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.831 1.921 4.443 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.639 0.384 2.765 1.00 0.00 C ATOM 0 H THR A 101 -8.130 0.512 6.468 1.00 0.00 H new ATOM 0 HA THR A 101 -10.593 0.181 5.384 1.00 0.00 H new ATOM 0 HB THR A 101 -7.895 0.138 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.193 2.038 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.121 0.953 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.667 -0.669 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.657 0.759 2.870 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.714 -2.483 4.855 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.749 -3.885 4.459 1.00 0.00 C ATOM 1650 C ILE A 102 -9.646 -4.697 5.387 1.00 0.00 C ATOM 1651 O ILE A 102 -10.439 -5.524 4.936 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.339 -4.505 4.454 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.425 -3.739 3.495 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.408 -5.975 4.069 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.963 -3.795 3.880 1.00 0.00 C ATOM 0 H ILE A 102 -7.812 -2.168 5.211 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.154 -3.916 3.448 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.922 -4.432 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.544 -4.145 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.743 -2.697 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.404 -6.399 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.029 -6.511 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.841 -6.070 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.374 -3.231 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.831 -3.362 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.629 -4.832 3.890 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.516 -4.455 6.688 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.317 -5.161 7.681 1.00 0.00 C ATOM 1669 C HIS A 103 -11.782 -5.217 7.258 1.00 0.00 C ATOM 1670 O HIS A 103 -12.429 -6.261 7.357 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.193 -4.481 9.045 1.00 0.00 C ATOM 1672 CG HIS A 103 -10.998 -5.144 10.120 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.337 -5.280 10.267 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.429 -5.765 11.212 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.550 -5.974 11.433 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.382 -6.255 11.984 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.863 -3.775 7.079 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.940 -6.181 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.144 -4.470 9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.510 -3.442 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.369 -5.839 11.406 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.515 -6.246 11.834 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.241 -6.764 12.857 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.300 -4.088 6.787 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.689 -4.007 6.350 1.00 0.00 C ATOM 1687 C LEU A 104 -13.994 -5.076 5.305 1.00 0.00 C ATOM 1688 O LEU A 104 -15.091 -5.635 5.275 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.985 -2.620 5.779 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.612 -1.434 6.669 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.727 -0.129 5.896 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.494 -1.400 7.909 1.00 0.00 C ATOM 0 H LEU A 104 -11.779 -3.216 6.698 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.327 -4.179 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.455 -2.518 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.050 -2.561 5.556 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.576 -1.554 6.986 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.458 0.704 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.054 -0.153 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.752 -0.001 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.215 -0.550 8.531 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.538 -1.304 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.362 -2.322 8.475 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.016 -5.355 4.450 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.179 -6.359 3.404 1.00 0.00 C ATOM 1706 C LEU A 105 -13.069 -7.767 3.979 1.00 0.00 C ATOM 1707 O LEU A 105 -13.670 -8.710 3.461 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.128 -6.159 2.311 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.320 -4.939 1.410 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -11.005 -4.547 0.754 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.382 -5.216 0.356 1.00 0.00 C ATOM 0 H LEU A 105 -12.103 -4.901 4.460 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.172 -6.240 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.149 -6.085 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.111 -7.050 1.683 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.657 -4.106 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.162 -3.677 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.272 -4.306 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.638 -5.377 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.505 -4.337 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.074 -6.063 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.328 -5.447 0.845 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.301 -7.904 5.054 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.114 -9.196 5.703 1.00 0.00 C ATOM 1725 C LYS A 106 -13.444 -9.748 6.208 1.00 0.00 C ATOM 1726 O LYS A 106 -13.706 -10.948 6.114 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.128 -9.069 6.866 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.679 -8.950 6.425 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.743 -8.815 7.614 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.289 -8.985 7.201 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.881 -10.417 7.188 1.00 0.00 N ATOM 0 H LYS A 106 -11.797 -7.135 5.495 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.708 -9.889 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.391 -8.194 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.231 -9.938 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.402 -9.828 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.566 -8.084 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.879 -7.837 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.998 -9.562 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.140 -8.556 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.649 -8.431 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.884 -10.491 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.999 -10.820 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.475 -10.941 6.514 1.00 0.00 H new