USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 857 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 82 THR OG1 : rot 72:sc= 1.23 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.02 X(o=0.21,f=0.58) USER MOD Set 2.1: A 21 THR OG1 : rot -170:sc=-0.00204 USER MOD Set 2.2: A 23 HIS : no HD1:sc=-0.00352 K(o=-0.0056,f=0.74) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.667 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -91:sc= 0.703 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 78:sc= -0.325 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0265) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -173:sc=-0.00584 (180deg=-0.106) USER MOD Single : A 20 ASN : amide:sc=-0.00353 X(o=-0.0035,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.25) USER MOD Single : A 26 GLN : amide:sc= -1.76! C(o=-1.8!,f=-6.8!) USER MOD Single : A 28 THR OG1 : rot 80:sc= -0.334 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 30 THR OG1 : rot -90:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0114 (180deg=-0.166) USER MOD Single : A 33 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0307 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 THR OG1 : rot -60:sc= 0.687 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0238) USER MOD Single : A 53 MET CE :methyl -131:sc= 0 (180deg=-2.59!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.0027) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0505 (180deg=-0.259) USER MOD Single : A 66 THR OG1 : rot -114:sc= -2.78! USER MOD Single : A 68 SER OG : rot 180:sc= 0.937 USER MOD Single : A 76 SER OG : rot 77:sc= 1.15 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -158:sc= 0.0702 USER MOD Single : A 101 HIS : no HE2:sc= 0.355 K(o=0.36,f=-3.1!) USER MOD Single : A 102 HIS : no HD1:sc= -0.071 X(o=-0.071,f=-0.0071) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 104 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-2.4!) USER MOD Single : A 105 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.016) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.453 2.554 5.041 1.00 0.00 N ATOM 2 CA MET A 1 -14.488 2.647 3.925 1.00 0.00 C ATOM 3 C MET A 1 -13.462 1.534 4.018 1.00 0.00 C ATOM 4 O MET A 1 -12.779 1.394 5.037 1.00 0.00 O ATOM 5 CB MET A 1 -13.768 3.997 3.946 1.00 0.00 C ATOM 6 CG MET A 1 -12.821 4.192 2.772 1.00 0.00 C ATOM 7 SD MET A 1 -13.693 4.329 1.197 1.00 0.00 S ATOM 8 CE MET A 1 -14.773 5.721 1.532 1.00 0.00 C ATOM 0 H1 MET A 1 -16.149 3.323 4.963 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.943 1.638 5.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.947 2.636 5.946 1.00 0.00 H new ATOM 0 HA MET A 1 -15.044 2.551 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.509 4.796 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.206 4.087 4.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.227 5.091 2.934 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.126 3.354 2.727 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.207 6.078 0.598 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.570 5.409 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.199 6.524 1.995 1.00 0.00 H new ATOM 20 N THR A 2 -13.334 0.758 2.954 1.00 0.00 N ATOM 21 CA THR A 2 -12.378 -0.334 2.939 1.00 0.00 C ATOM 22 C THR A 2 -11.083 0.123 2.282 1.00 0.00 C ATOM 23 O THR A 2 -11.063 1.145 1.592 1.00 0.00 O ATOM 24 CB THR A 2 -12.934 -1.572 2.204 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.306 -1.232 0.864 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.140 -2.137 2.938 1.00 0.00 C ATOM 0 H THR A 2 -13.876 0.863 2.096 1.00 0.00 H new ATOM 0 HA THR A 2 -12.184 -0.622 3.972 1.00 0.00 H new ATOM 0 HB THR A 2 -12.150 -2.328 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.247 -0.960 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.516 -3.009 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.848 -2.429 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.922 -1.379 2.991 1.00 0.00 H new ATOM 34 N PHE A 3 -10.009 -0.621 2.505 1.00 0.00 N ATOM 35 CA PHE A 3 -8.711 -0.280 1.934 1.00 0.00 C ATOM 36 C PHE A 3 -8.789 -0.234 0.410 1.00 0.00 C ATOM 37 O PHE A 3 -8.211 0.650 -0.223 1.00 0.00 O ATOM 38 CB PHE A 3 -7.647 -1.287 2.390 1.00 0.00 C ATOM 39 CG PHE A 3 -6.259 -0.973 1.899 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.501 0.018 2.505 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.714 -1.666 0.829 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.229 0.312 2.052 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.443 -1.378 0.373 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.699 -0.387 0.985 1.00 0.00 C ATOM 0 H PHE A 3 -10.009 -1.465 3.077 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.426 0.710 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.637 -1.322 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.929 -2.281 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.910 0.566 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.291 -2.441 0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.650 1.087 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.031 -1.926 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.705 -0.160 0.630 1.00 0.00 H new ATOM 54 N SER A 4 -9.523 -1.179 -0.171 1.00 0.00 N ATOM 55 CA SER A 4 -9.705 -1.232 -1.618 1.00 0.00 C ATOM 56 C SER A 4 -10.389 0.037 -2.128 1.00 0.00 C ATOM 57 O SER A 4 -9.945 0.647 -3.100 1.00 0.00 O ATOM 58 CB SER A 4 -10.533 -2.461 -1.998 1.00 0.00 C ATOM 59 OG SER A 4 -9.944 -3.652 -1.498 1.00 0.00 O ATOM 0 H SER A 4 -10.002 -1.920 0.340 1.00 0.00 H new ATOM 0 HA SER A 4 -8.722 -1.303 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.544 -2.358 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.620 -2.523 -3.083 1.00 0.00 H new ATOM 0 HG SER A 4 -10.494 -4.421 -1.754 1.00 0.00 H new ATOM 65 N GLU A 5 -11.459 0.436 -1.452 1.00 0.00 N ATOM 66 CA GLU A 5 -12.219 1.615 -1.839 1.00 0.00 C ATOM 67 C GLU A 5 -11.402 2.886 -1.648 1.00 0.00 C ATOM 68 O GLU A 5 -11.392 3.764 -2.513 1.00 0.00 O ATOM 69 CB GLU A 5 -13.495 1.688 -1.015 1.00 0.00 C ATOM 70 CG GLU A 5 -14.477 0.577 -1.327 1.00 0.00 C ATOM 71 CD GLU A 5 -15.688 0.613 -0.425 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.556 0.243 0.763 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.770 1.026 -0.895 1.00 0.00 O ATOM 0 H GLU A 5 -11.821 -0.044 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.468 1.533 -2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.238 1.649 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.978 2.649 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.798 0.659 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.978 -0.386 -1.223 1.00 0.00 H new ATOM 80 N CYS A 6 -10.720 2.968 -0.515 1.00 0.00 N ATOM 81 CA CYS A 6 -9.902 4.129 -0.183 1.00 0.00 C ATOM 82 C CYS A 6 -8.769 4.294 -1.186 1.00 0.00 C ATOM 83 O CYS A 6 -8.492 5.399 -1.659 1.00 0.00 O ATOM 84 CB CYS A 6 -9.331 3.980 1.224 1.00 0.00 C ATOM 85 SG CYS A 6 -8.657 5.508 1.917 1.00 0.00 S ATOM 0 H CYS A 6 -10.717 2.238 0.197 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.533 5.017 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.115 3.610 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.545 3.225 1.207 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.631 6.266 2.324 1.00 0.00 H new ATOM 91 N ALA A 7 -8.119 3.185 -1.503 1.00 0.00 N ATOM 92 CA ALA A 7 -7.057 3.174 -2.503 1.00 0.00 C ATOM 93 C ALA A 7 -7.583 3.651 -3.852 1.00 0.00 C ATOM 94 O ALA A 7 -6.921 4.415 -4.557 1.00 0.00 O ATOM 95 CB ALA A 7 -6.458 1.782 -2.630 1.00 0.00 C ATOM 0 H ALA A 7 -8.308 2.276 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.275 3.859 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.668 1.793 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.043 1.476 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.234 1.078 -2.931 1.00 0.00 H new ATOM 101 N ALA A 8 -8.788 3.208 -4.192 1.00 0.00 N ATOM 102 CA ALA A 8 -9.434 3.613 -5.433 1.00 0.00 C ATOM 103 C ALA A 8 -9.727 5.110 -5.430 1.00 0.00 C ATOM 104 O ALA A 8 -9.672 5.764 -6.471 1.00 0.00 O ATOM 105 CB ALA A 8 -10.717 2.819 -5.648 1.00 0.00 C ATOM 0 H ALA A 8 -9.339 2.566 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.752 3.402 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.188 3.133 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.482 1.756 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.400 2.999 -4.818 1.00 0.00 H new ATOM 111 N LEU A 9 -10.032 5.648 -4.254 1.00 0.00 N ATOM 112 CA LEU A 9 -10.282 7.077 -4.108 1.00 0.00 C ATOM 113 C LEU A 9 -9.001 7.864 -4.334 1.00 0.00 C ATOM 114 O LEU A 9 -9.013 8.898 -4.994 1.00 0.00 O ATOM 115 CB LEU A 9 -10.852 7.401 -2.725 1.00 0.00 C ATOM 116 CG LEU A 9 -12.208 6.773 -2.407 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.660 7.173 -1.013 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.246 7.181 -3.447 1.00 0.00 C ATOM 0 H LEU A 9 -10.112 5.116 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.018 7.365 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.135 7.076 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.942 8.483 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.104 5.688 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.628 6.718 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.929 6.830 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.749 8.258 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.205 6.724 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.352 8.266 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.925 6.846 -4.433 1.00 0.00 H new ATOM 130 N TYR A 10 -7.898 7.359 -3.790 1.00 0.00 N ATOM 131 CA TYR A 10 -6.586 7.971 -3.989 1.00 0.00 C ATOM 132 C TYR A 10 -6.265 8.063 -5.480 1.00 0.00 C ATOM 133 O TYR A 10 -5.853 9.113 -5.980 1.00 0.00 O ATOM 134 CB TYR A 10 -5.514 7.147 -3.267 1.00 0.00 C ATOM 135 CG TYR A 10 -4.102 7.653 -3.476 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.627 8.761 -2.787 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.245 7.021 -4.370 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.340 9.225 -2.983 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.961 7.479 -4.572 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.513 8.579 -3.875 1.00 0.00 C ATOM 141 OH TYR A 10 -0.234 9.039 -4.082 1.00 0.00 O ATOM 0 H TYR A 10 -7.886 6.524 -3.205 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.599 8.979 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.733 7.142 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.573 6.114 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.274 9.268 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.592 6.156 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.985 10.089 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.310 6.978 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 10 0.216 8.470 -4.741 1.00 0.00 H new ATOM 151 N ILE A 11 -6.466 6.950 -6.174 1.00 0.00 N ATOM 152 CA ILE A 11 -6.255 6.875 -7.617 1.00 0.00 C ATOM 153 C ILE A 11 -7.136 7.883 -8.354 1.00 0.00 C ATOM 154 O ILE A 11 -6.654 8.663 -9.177 1.00 0.00 O ATOM 155 CB ILE A 11 -6.550 5.450 -8.134 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.568 4.455 -7.507 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.468 5.398 -9.654 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.878 3.010 -7.824 1.00 0.00 C ATOM 0 H ILE A 11 -6.779 6.074 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.211 7.118 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.564 5.176 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.561 4.685 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.571 4.589 -6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.679 4.385 -9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.199 6.085 -10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.467 5.687 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.140 2.366 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.872 2.761 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.846 2.859 -8.903 1.00 0.00 H new ATOM 170 N LYS A 12 -8.424 7.889 -8.024 1.00 0.00 N ATOM 171 CA LYS A 12 -9.381 8.789 -8.664 1.00 0.00 C ATOM 172 C LYS A 12 -9.076 10.251 -8.343 1.00 0.00 C ATOM 173 O LYS A 12 -9.272 11.131 -9.174 1.00 0.00 O ATOM 174 CB LYS A 12 -10.813 8.448 -8.243 1.00 0.00 C ATOM 175 CG LYS A 12 -11.344 7.159 -8.852 1.00 0.00 C ATOM 176 CD LYS A 12 -12.777 6.897 -8.419 1.00 0.00 C ATOM 177 CE LYS A 12 -13.375 5.687 -9.121 1.00 0.00 C ATOM 178 NZ LYS A 12 -12.648 4.430 -8.796 1.00 0.00 N ATOM 0 H LYS A 12 -8.831 7.279 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.287 8.651 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.853 8.368 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.470 9.270 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.295 7.220 -9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.712 6.324 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.807 6.741 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.386 7.776 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.421 5.584 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.354 5.848 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.141 3.622 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.678 4.484 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.616 4.304 -7.764 1.00 0.00 H new ATOM 192 N ALA A 13 -8.588 10.508 -7.138 1.00 0.00 N ATOM 193 CA ALA A 13 -8.261 11.869 -6.726 1.00 0.00 C ATOM 194 C ALA A 13 -7.104 12.435 -7.545 1.00 0.00 C ATOM 195 O ALA A 13 -6.903 13.647 -7.599 1.00 0.00 O ATOM 196 CB ALA A 13 -7.924 11.911 -5.241 1.00 0.00 C ATOM 0 H ALA A 13 -8.410 9.796 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.138 12.490 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.683 12.934 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.780 11.563 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.067 11.266 -5.044 1.00 0.00 H new ATOM 202 N HIS A 14 -6.340 11.557 -8.181 1.00 0.00 N ATOM 203 CA HIS A 14 -5.185 11.980 -8.958 1.00 0.00 C ATOM 204 C HIS A 14 -5.395 11.740 -10.451 1.00 0.00 C ATOM 205 O HIS A 14 -4.548 12.119 -11.251 1.00 0.00 O ATOM 206 CB HIS A 14 -3.921 11.242 -8.499 1.00 0.00 C ATOM 207 CG HIS A 14 -3.361 11.724 -7.198 1.00 0.00 C ATOM 208 ND1 HIS A 14 -2.077 12.203 -7.070 1.00 0.00 N ATOM 209 CD2 HIS A 14 -3.905 11.782 -5.960 1.00 0.00 C ATOM 210 CE1 HIS A 14 -1.854 12.531 -5.814 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.946 12.285 -5.117 1.00 0.00 N ATOM 0 H HIS A 14 -6.500 10.550 -8.174 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.061 13.050 -8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.147 10.179 -8.412 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.156 11.343 -9.269 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.907 11.487 -5.686 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.932 12.934 -5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.059 12.443 -4.116 1.00 0.00 H new ATOM 220 N ARG A 15 -6.533 11.142 -10.821 1.00 0.00 N ATOM 221 CA ARG A 15 -6.767 10.692 -12.203 1.00 0.00 C ATOM 222 C ARG A 15 -6.632 11.825 -13.227 1.00 0.00 C ATOM 223 O ARG A 15 -6.284 11.581 -14.379 1.00 0.00 O ATOM 224 CB ARG A 15 -8.147 10.044 -12.353 1.00 0.00 C ATOM 225 CG ARG A 15 -9.310 10.989 -12.110 1.00 0.00 C ATOM 226 CD ARG A 15 -10.628 10.368 -12.535 1.00 0.00 C ATOM 227 NE ARG A 15 -11.775 11.080 -11.976 1.00 0.00 N ATOM 228 CZ ARG A 15 -12.379 12.118 -12.554 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.894 12.654 -13.668 1.00 0.00 N ATOM 230 NH2 ARG A 15 -13.465 12.637 -11.994 1.00 0.00 N ATOM 0 H ARG A 15 -7.308 10.957 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.991 9.954 -12.408 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.234 9.630 -13.358 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.221 9.209 -11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.354 11.250 -11.053 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.149 11.916 -12.661 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.695 10.370 -13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.657 9.326 -12.216 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.140 10.760 -11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.049 12.271 -14.092 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.367 13.448 -14.100 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.831 12.241 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.933 13.431 -12.430 1.00 0.00 H new ATOM 244 N SER A 16 -6.922 13.050 -12.815 1.00 0.00 N ATOM 245 CA SER A 16 -6.849 14.190 -13.710 1.00 0.00 C ATOM 246 C SER A 16 -5.402 14.518 -14.059 1.00 0.00 C ATOM 247 O SER A 16 -5.079 14.792 -15.216 1.00 0.00 O ATOM 248 CB SER A 16 -7.534 15.378 -13.047 1.00 0.00 C ATOM 249 OG SER A 16 -8.824 15.016 -12.581 1.00 0.00 O ATOM 0 H SER A 16 -7.211 13.278 -11.864 1.00 0.00 H new ATOM 0 HA SER A 16 -7.359 13.952 -14.644 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.928 15.736 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.616 16.200 -13.758 1.00 0.00 H new ATOM 0 HG SER A 16 -9.248 15.791 -12.157 1.00 0.00 H new ATOM 255 N SER A 17 -4.535 14.473 -13.061 1.00 0.00 N ATOM 256 CA SER A 17 -3.111 14.622 -13.282 1.00 0.00 C ATOM 257 C SER A 17 -2.568 13.338 -13.893 1.00 0.00 C ATOM 258 O SER A 17 -1.478 13.302 -14.464 1.00 0.00 O ATOM 259 CB SER A 17 -2.420 14.899 -11.950 1.00 0.00 C ATOM 260 OG SER A 17 -3.125 15.884 -11.214 1.00 0.00 O ATOM 0 H SER A 17 -4.797 14.334 -12.085 1.00 0.00 H new ATOM 0 HA SER A 17 -2.922 15.454 -13.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.358 13.979 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.398 15.233 -12.128 1.00 0.00 H new ATOM 0 HG SER A 17 -2.667 16.046 -10.363 1.00 0.00 H new ATOM 266 N TRP A 18 -3.372 12.295 -13.779 1.00 0.00 N ATOM 267 CA TRP A 18 -2.975 10.955 -14.154 1.00 0.00 C ATOM 268 C TRP A 18 -3.508 10.524 -15.512 1.00 0.00 C ATOM 269 O TRP A 18 -4.220 9.523 -15.601 1.00 0.00 O ATOM 270 CB TRP A 18 -3.452 9.955 -13.107 1.00 0.00 C ATOM 271 CG TRP A 18 -2.452 9.625 -12.048 1.00 0.00 C ATOM 272 CD1 TRP A 18 -1.356 10.349 -11.670 1.00 0.00 C ATOM 273 CD2 TRP A 18 -2.473 8.465 -11.218 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.693 9.699 -10.656 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.364 8.541 -10.359 1.00 0.00 C ATOM 276 CE3 TRP A 18 -3.329 7.369 -11.124 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.087 7.559 -9.414 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -3.057 6.394 -10.186 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.943 6.495 -9.341 1.00 0.00 C ATOM 0 H TRP A 18 -4.325 12.358 -13.421 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.887 10.970 -14.216 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.348 10.352 -12.629 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.742 9.033 -13.612 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.056 11.291 -12.103 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.159 10.025 -10.199 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.188 7.284 -11.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.229 7.634 -8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.713 5.540 -10.102 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.757 5.716 -8.617 1.00 0.00 H new ATOM 290 N LYS A 19 -3.215 11.287 -16.558 1.00 0.00 N ATOM 291 CA LYS A 19 -3.144 10.687 -17.884 1.00 0.00 C ATOM 292 C LYS A 19 -2.025 9.677 -17.793 1.00 0.00 C ATOM 293 O LYS A 19 -0.865 9.993 -18.058 1.00 0.00 O ATOM 294 CB LYS A 19 -2.901 11.724 -18.987 1.00 0.00 C ATOM 295 CG LYS A 19 -4.083 12.651 -19.235 1.00 0.00 C ATOM 296 CD LYS A 19 -5.345 11.870 -19.570 1.00 0.00 C ATOM 297 CE LYS A 19 -6.475 12.787 -20.018 1.00 0.00 C ATOM 298 NZ LYS A 19 -6.759 13.863 -19.031 1.00 0.00 N ATOM 0 H LYS A 19 -3.028 12.289 -16.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.089 10.221 -18.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.031 12.324 -18.722 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.659 11.204 -19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.257 13.264 -18.351 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.847 13.332 -20.053 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.128 11.149 -20.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.663 11.301 -18.696 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.216 13.237 -20.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.377 12.196 -20.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.609 14.386 -19.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.917 13.441 -18.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.950 14.515 -18.986 1.00 0.00 H new ATOM 312 N ASN A 20 -2.364 8.450 -17.391 1.00 0.00 N ATOM 313 CA ASN A 20 -3.471 7.607 -17.906 1.00 0.00 C ATOM 314 C ASN A 20 -2.916 6.765 -19.032 1.00 0.00 C ATOM 315 O ASN A 20 -3.016 7.073 -20.220 1.00 0.00 O ATOM 316 CB ASN A 20 -4.721 8.374 -18.383 1.00 0.00 C ATOM 317 CG ASN A 20 -5.791 7.476 -18.987 1.00 0.00 C ATOM 318 OD1 ASN A 20 -5.828 7.260 -20.198 1.00 0.00 O ATOM 319 ND2 ASN A 20 -6.675 6.956 -18.150 1.00 0.00 N ATOM 0 H ASN A 20 -1.846 7.979 -16.650 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.829 7.006 -17.070 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.148 8.917 -17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.422 9.117 -19.122 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.419 6.354 -18.503 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.612 7.158 -17.152 1.00 0.00 H new ATOM 326 N THR A 21 -2.248 5.721 -18.563 1.00 0.00 N ATOM 327 CA THR A 21 -1.564 4.725 -19.360 1.00 0.00 C ATOM 328 C THR A 21 -1.581 3.422 -18.559 1.00 0.00 C ATOM 329 O THR A 21 -2.391 3.282 -17.635 1.00 0.00 O ATOM 330 CB THR A 21 -0.101 5.134 -19.640 1.00 0.00 C ATOM 331 OG1 THR A 21 0.531 5.538 -18.416 1.00 0.00 O ATOM 332 CG2 THR A 21 -0.019 6.260 -20.662 1.00 0.00 C ATOM 0 H THR A 21 -2.167 5.541 -17.562 1.00 0.00 H new ATOM 0 HA THR A 21 -2.064 4.616 -20.323 1.00 0.00 H new ATOM 0 HB THR A 21 0.417 4.269 -20.055 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.400 5.944 -18.615 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.025 6.521 -20.833 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.470 5.934 -21.599 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.554 7.132 -20.286 1.00 0.00 H new ATOM 340 N LYS A 22 -0.704 2.479 -18.890 1.00 0.00 N ATOM 341 CA LYS A 22 -0.582 1.246 -18.111 1.00 0.00 C ATOM 342 C LYS A 22 -0.272 1.534 -16.640 1.00 0.00 C ATOM 343 O LYS A 22 -0.514 0.694 -15.782 1.00 0.00 O ATOM 344 CB LYS A 22 0.501 0.338 -18.699 1.00 0.00 C ATOM 345 CG LYS A 22 0.011 -0.524 -19.850 1.00 0.00 C ATOM 346 CD LYS A 22 -0.997 -1.561 -19.376 1.00 0.00 C ATOM 347 CE LYS A 22 -0.356 -2.573 -18.435 1.00 0.00 C ATOM 348 NZ LYS A 22 -1.345 -3.557 -17.924 1.00 0.00 N ATOM 0 H LYS A 22 -0.070 2.542 -19.687 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.544 0.737 -18.163 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.332 0.954 -19.045 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.889 -0.308 -17.911 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.446 0.108 -20.611 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.858 -1.025 -20.318 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.822 -1.062 -18.868 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.419 -2.080 -20.237 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.443 -3.099 -18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.102 -2.049 -17.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.867 -4.238 -17.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.085 -3.059 -17.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.776 -4.063 -18.724 1.00 0.00 H new ATOM 362 N HIS A 23 0.242 2.728 -16.352 1.00 0.00 N ATOM 363 CA HIS A 23 0.588 3.113 -14.977 1.00 0.00 C ATOM 364 C HIS A 23 -0.637 3.080 -14.066 1.00 0.00 C ATOM 365 O HIS A 23 -0.619 2.435 -13.015 1.00 0.00 O ATOM 366 CB HIS A 23 1.208 4.517 -14.939 1.00 0.00 C ATOM 367 CG HIS A 23 2.556 4.620 -15.579 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.686 4.990 -14.887 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.949 4.425 -16.858 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.712 5.024 -15.713 1.00 0.00 C ATOM 371 NE2 HIS A 23 4.293 4.683 -16.916 1.00 0.00 N ATOM 0 H HIS A 23 0.430 3.448 -17.049 1.00 0.00 H new ATOM 0 HA HIS A 23 1.317 2.388 -14.615 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.531 5.212 -15.435 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.288 4.836 -13.900 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.320 4.122 -17.682 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.726 5.287 -15.449 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.874 4.621 -17.752 1.00 0.00 H new ATOM 380 N ALA A 24 -1.700 3.772 -14.471 1.00 0.00 N ATOM 381 CA ALA A 24 -2.944 3.792 -13.700 1.00 0.00 C ATOM 382 C ALA A 24 -3.521 2.386 -13.584 1.00 0.00 C ATOM 383 O ALA A 24 -4.112 2.023 -12.566 1.00 0.00 O ATOM 384 CB ALA A 24 -3.961 4.721 -14.344 1.00 0.00 C ATOM 0 H ALA A 24 -1.726 4.326 -15.327 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.718 4.164 -12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.878 4.721 -13.755 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.556 5.732 -14.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.179 4.377 -15.355 1.00 0.00 H new ATOM 390 N ASP A 25 -3.342 1.603 -14.643 1.00 0.00 N ATOM 391 CA ASP A 25 -3.767 0.208 -14.651 1.00 0.00 C ATOM 392 C ASP A 25 -3.006 -0.570 -13.590 1.00 0.00 C ATOM 393 O ASP A 25 -3.604 -1.234 -12.751 1.00 0.00 O ATOM 394 CB ASP A 25 -3.522 -0.420 -16.029 1.00 0.00 C ATOM 395 CG ASP A 25 -3.949 -1.871 -16.104 1.00 0.00 C ATOM 396 OD1 ASP A 25 -5.166 -2.132 -16.191 1.00 0.00 O ATOM 397 OD2 ASP A 25 -3.073 -2.756 -16.090 1.00 0.00 O ATOM 0 H ASP A 25 -2.904 1.913 -15.510 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.834 0.168 -14.433 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.063 0.151 -16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.462 -0.346 -16.272 1.00 0.00 H new ATOM 402 N GLN A 26 -1.687 -0.436 -13.626 1.00 0.00 N ATOM 403 CA GLN A 26 -0.791 -1.133 -12.719 1.00 0.00 C ATOM 404 C GLN A 26 -1.063 -0.778 -11.258 1.00 0.00 C ATOM 405 O GLN A 26 -1.054 -1.654 -10.394 1.00 0.00 O ATOM 406 CB GLN A 26 0.659 -0.801 -13.087 1.00 0.00 C ATOM 407 CG GLN A 26 1.131 -1.433 -14.392 1.00 0.00 C ATOM 408 CD GLN A 26 1.168 -2.950 -14.353 1.00 0.00 C ATOM 409 OE1 GLN A 26 0.391 -3.595 -13.646 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.080 -3.532 -15.114 1.00 0.00 N ATOM 0 H GLN A 26 -1.206 0.167 -14.294 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.966 -2.204 -12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.765 0.281 -13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.312 -1.131 -12.279 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.472 -1.114 -15.200 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.127 -1.059 -14.628 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.705 -2.964 -15.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.158 -4.549 -15.129 1.00 0.00 H new ATOM 419 N TRP A 27 -1.307 0.499 -10.985 1.00 0.00 N ATOM 420 CA TRP A 27 -1.603 0.941 -9.624 1.00 0.00 C ATOM 421 C TRP A 27 -2.818 0.215 -9.065 1.00 0.00 C ATOM 422 O TRP A 27 -2.765 -0.352 -7.973 1.00 0.00 O ATOM 423 CB TRP A 27 -1.830 2.451 -9.582 1.00 0.00 C ATOM 424 CG TRP A 27 -0.592 3.224 -9.250 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.384 3.632 -10.112 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.200 3.684 -7.953 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.362 4.312 -9.427 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.024 4.360 -8.101 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.768 3.592 -6.678 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.692 4.937 -7.024 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.105 4.165 -5.610 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.113 4.833 -5.789 1.00 0.00 C ATOM 0 H TRP A 27 -1.306 1.244 -11.682 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.741 0.699 -9.003 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.209 2.782 -10.549 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.600 2.676 -8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.387 3.448 -11.176 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.203 4.715 -9.839 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.709 3.082 -6.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.634 5.448 -7.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.533 4.097 -4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.605 5.275 -4.935 1.00 0.00 H new ATOM 443 N THR A 28 -3.906 0.218 -9.821 1.00 0.00 N ATOM 444 CA THR A 28 -5.122 -0.456 -9.397 1.00 0.00 C ATOM 445 C THR A 28 -4.917 -1.972 -9.401 1.00 0.00 C ATOM 446 O THR A 28 -5.328 -2.673 -8.480 1.00 0.00 O ATOM 447 CB THR A 28 -6.302 -0.099 -10.327 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.340 1.319 -10.551 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.629 -0.552 -9.730 1.00 0.00 C ATOM 0 H THR A 28 -3.971 0.679 -10.729 1.00 0.00 H new ATOM 0 HA THR A 28 -5.355 -0.122 -8.386 1.00 0.00 H new ATOM 0 HB THR A 28 -6.152 -0.618 -11.274 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.681 1.560 -11.236 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.442 -0.287 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.614 -1.632 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.782 -0.061 -8.769 1.00 0.00 H new ATOM 457 N ASN A 29 -4.234 -2.449 -10.430 1.00 0.00 N ATOM 458 CA ASN A 29 -4.067 -3.876 -10.685 1.00 0.00 C ATOM 459 C ASN A 29 -3.272 -4.564 -9.578 1.00 0.00 C ATOM 460 O ASN A 29 -3.700 -5.590 -9.047 1.00 0.00 O ATOM 461 CB ASN A 29 -3.367 -4.044 -12.036 1.00 0.00 C ATOM 462 CG ASN A 29 -3.334 -5.465 -12.553 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.187 -6.287 -12.223 1.00 0.00 O ATOM 464 ND2 ASN A 29 -2.363 -5.746 -13.407 1.00 0.00 N ATOM 0 H ASN A 29 -3.775 -1.853 -11.119 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.048 -4.350 -10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.868 -3.415 -12.771 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.344 -3.679 -11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.301 -6.676 -13.820 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.677 -5.032 -13.652 1.00 0.00 H new ATOM 471 N THR A 30 -2.136 -3.988 -9.212 1.00 0.00 N ATOM 472 CA THR A 30 -1.260 -4.595 -8.216 1.00 0.00 C ATOM 473 C THR A 30 -1.906 -4.613 -6.831 1.00 0.00 C ATOM 474 O THR A 30 -1.967 -5.658 -6.177 1.00 0.00 O ATOM 475 CB THR A 30 0.098 -3.866 -8.144 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.106 -2.450 -8.048 1.00 0.00 O ATOM 477 CG2 THR A 30 0.948 -4.182 -9.366 1.00 0.00 C ATOM 0 H THR A 30 -1.798 -3.102 -9.588 1.00 0.00 H new ATOM 0 HA THR A 30 -1.092 -5.624 -8.533 1.00 0.00 H new ATOM 0 HB THR A 30 0.624 -4.215 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.144 -2.063 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.900 -3.657 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.129 -5.256 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.425 -3.860 -10.266 1.00 0.00 H new ATOM 485 N ILE A 31 -2.407 -3.463 -6.399 1.00 0.00 N ATOM 486 CA ILE A 31 -3.004 -3.335 -5.075 1.00 0.00 C ATOM 487 C ILE A 31 -4.234 -4.227 -4.939 1.00 0.00 C ATOM 488 O ILE A 31 -4.429 -4.879 -3.911 1.00 0.00 O ATOM 489 CB ILE A 31 -3.387 -1.868 -4.769 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.144 -0.976 -4.827 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.057 -1.761 -3.404 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.428 0.495 -4.596 1.00 0.00 C ATOM 0 H ILE A 31 -2.412 -2.603 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.254 -3.656 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.097 -1.530 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.428 -1.319 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.669 -1.095 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.319 -0.721 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.960 -2.371 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.372 -2.114 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.497 1.059 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.118 0.856 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.874 0.629 -3.610 1.00 0.00 H new ATOM 504 N LYS A 32 -5.042 -4.273 -5.991 1.00 0.00 N ATOM 505 CA LYS A 32 -6.260 -5.076 -5.989 1.00 0.00 C ATOM 506 C LYS A 32 -5.915 -6.555 -5.830 1.00 0.00 C ATOM 507 O LYS A 32 -6.630 -7.306 -5.167 1.00 0.00 O ATOM 508 CB LYS A 32 -7.038 -4.840 -7.295 1.00 0.00 C ATOM 509 CG LYS A 32 -8.515 -5.222 -7.245 1.00 0.00 C ATOM 510 CD LYS A 32 -8.735 -6.721 -7.388 1.00 0.00 C ATOM 511 CE LYS A 32 -8.285 -7.235 -8.748 1.00 0.00 C ATOM 512 NZ LYS A 32 -9.064 -6.633 -9.864 1.00 0.00 N ATOM 0 H LYS A 32 -4.876 -3.763 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.886 -4.778 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.960 -3.786 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.559 -5.407 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.943 -4.884 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.048 -4.702 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.188 -7.244 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.792 -6.948 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.227 -7.014 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.391 -8.319 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.869 -7.153 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.080 -6.687 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.788 -5.637 -9.982 1.00 0.00 H new ATOM 526 N THR A 33 -4.800 -6.960 -6.420 1.00 0.00 N ATOM 527 CA THR A 33 -4.413 -8.363 -6.428 1.00 0.00 C ATOM 528 C THR A 33 -3.725 -8.772 -5.125 1.00 0.00 C ATOM 529 O THR A 33 -4.115 -9.750 -4.490 1.00 0.00 O ATOM 530 CB THR A 33 -3.478 -8.673 -7.612 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.079 -8.231 -8.838 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.183 -10.163 -7.701 1.00 0.00 C ATOM 0 H THR A 33 -4.148 -6.338 -6.899 1.00 0.00 H new ATOM 0 HA THR A 33 -5.333 -8.939 -6.531 1.00 0.00 H new ATOM 0 HB THR A 33 -2.540 -8.143 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.744 -7.338 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.521 -10.353 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.702 -10.494 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.115 -10.711 -7.840 1.00 0.00 H new ATOM 540 N TYR A 34 -2.706 -8.022 -4.726 1.00 0.00 N ATOM 541 CA TYR A 34 -1.904 -8.395 -3.565 1.00 0.00 C ATOM 542 C TYR A 34 -2.596 -8.049 -2.246 1.00 0.00 C ATOM 543 O TYR A 34 -2.706 -8.889 -1.354 1.00 0.00 O ATOM 544 CB TYR A 34 -0.526 -7.729 -3.627 1.00 0.00 C ATOM 545 CG TYR A 34 0.332 -8.200 -4.787 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.904 -9.468 -4.784 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.577 -7.375 -5.878 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.692 -9.899 -5.836 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.363 -7.800 -6.933 1.00 0.00 C ATOM 550 CZ TYR A 34 1.918 -9.061 -6.908 1.00 0.00 C ATOM 551 OH TYR A 34 2.705 -9.483 -7.956 1.00 0.00 O ATOM 0 H TYR A 34 -2.416 -7.158 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.783 -9.478 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.658 -6.649 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.003 -7.923 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.730 -10.127 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.146 -6.385 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.128 -10.887 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.541 -7.146 -7.774 1.00 0.00 H new ATOM 0 HH TYR A 34 2.762 -8.773 -8.629 1.00 0.00 H new ATOM 561 N CYS A 35 -3.071 -6.818 -2.124 1.00 0.00 N ATOM 562 CA CYS A 35 -3.617 -6.341 -0.858 1.00 0.00 C ATOM 563 C CYS A 35 -5.107 -6.651 -0.740 1.00 0.00 C ATOM 564 O CYS A 35 -5.639 -6.759 0.368 1.00 0.00 O ATOM 565 CB CYS A 35 -3.385 -4.835 -0.730 1.00 0.00 C ATOM 566 SG CYS A 35 -1.666 -4.337 -0.990 1.00 0.00 S ATOM 0 H CYS A 35 -3.090 -6.134 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.102 -6.861 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.017 -4.317 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.701 -4.511 0.261 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.564 -3.047 -0.865 1.00 0.00 H new ATOM 572 N GLY A 36 -5.756 -6.810 -1.887 1.00 0.00 N ATOM 573 CA GLY A 36 -7.195 -7.016 -1.942 1.00 0.00 C ATOM 574 C GLY A 36 -7.711 -8.110 -1.015 1.00 0.00 C ATOM 575 O GLY A 36 -8.462 -7.821 -0.086 1.00 0.00 O ATOM 0 H GLY A 36 -5.301 -6.800 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.694 -6.080 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.475 -7.262 -2.966 1.00 0.00 H new ATOM 579 N PRO A 37 -7.328 -9.378 -1.237 1.00 0.00 N ATOM 580 CA PRO A 37 -7.868 -10.515 -0.478 1.00 0.00 C ATOM 581 C PRO A 37 -7.592 -10.443 1.025 1.00 0.00 C ATOM 582 O PRO A 37 -8.323 -11.034 1.821 1.00 0.00 O ATOM 583 CB PRO A 37 -7.157 -11.732 -1.078 1.00 0.00 C ATOM 584 CG PRO A 37 -6.655 -11.277 -2.403 1.00 0.00 C ATOM 585 CD PRO A 37 -6.353 -9.814 -2.249 1.00 0.00 C ATOM 0 HA PRO A 37 -8.955 -10.543 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.338 -12.064 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.840 -12.575 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.763 -11.831 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.401 -11.442 -3.181 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.328 -9.646 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.478 -9.275 -3.188 1.00 0.00 H new ATOM 593 N VAL A 38 -6.548 -9.719 1.414 1.00 0.00 N ATOM 594 CA VAL A 38 -6.127 -9.692 2.812 1.00 0.00 C ATOM 595 C VAL A 38 -6.689 -8.479 3.554 1.00 0.00 C ATOM 596 O VAL A 38 -7.563 -8.619 4.407 1.00 0.00 O ATOM 597 CB VAL A 38 -4.588 -9.701 2.947 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.180 -9.851 4.409 1.00 0.00 C ATOM 599 CG2 VAL A 38 -3.982 -10.815 2.106 1.00 0.00 C ATOM 0 H VAL A 38 -5.981 -9.147 0.788 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.528 -10.598 3.265 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.206 -8.749 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.093 -9.855 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.581 -9.017 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.575 -10.788 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.898 -10.804 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.371 -11.777 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.243 -10.663 1.059 1.00 0.00 H new ATOM 609 N ILE A 39 -6.190 -7.291 3.224 1.00 0.00 N ATOM 610 CA ILE A 39 -6.569 -6.077 3.946 1.00 0.00 C ATOM 611 C ILE A 39 -7.549 -5.235 3.143 1.00 0.00 C ATOM 612 O ILE A 39 -7.989 -4.183 3.598 1.00 0.00 O ATOM 613 CB ILE A 39 -5.335 -5.219 4.305 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.535 -4.866 3.045 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.461 -5.946 5.320 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.335 -3.983 3.315 1.00 0.00 C ATOM 0 H ILE A 39 -5.525 -7.142 2.465 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.052 -6.402 4.867 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.679 -4.288 4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.198 -5.787 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.193 -4.363 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.596 -5.329 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.037 -6.136 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.124 -6.893 4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.818 -3.775 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.666 -3.046 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.656 -4.492 3.999 1.00 0.00 H new ATOM 628 N GLY A 40 -7.890 -5.719 1.956 1.00 0.00 N ATOM 629 CA GLY A 40 -8.812 -5.015 1.082 1.00 0.00 C ATOM 630 C GLY A 40 -10.136 -4.668 1.747 1.00 0.00 C ATOM 631 O GLY A 40 -10.466 -3.490 1.880 1.00 0.00 O ATOM 0 H GLY A 40 -7.539 -6.599 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.339 -4.097 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.006 -5.629 0.202 1.00 0.00 H new ATOM 635 N PRO A 41 -10.927 -5.679 2.160 1.00 0.00 N ATOM 636 CA PRO A 41 -12.249 -5.469 2.760 1.00 0.00 C ATOM 637 C PRO A 41 -12.184 -4.947 4.196 1.00 0.00 C ATOM 638 O PRO A 41 -13.210 -4.805 4.863 1.00 0.00 O ATOM 639 CB PRO A 41 -12.892 -6.867 2.734 1.00 0.00 C ATOM 640 CG PRO A 41 -11.966 -7.728 1.936 1.00 0.00 C ATOM 641 CD PRO A 41 -10.610 -7.108 2.067 1.00 0.00 C ATOM 0 HA PRO A 41 -12.810 -4.711 2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.017 -7.258 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.883 -6.833 2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.965 -8.752 2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.276 -7.771 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.083 -7.466 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.977 -7.329 1.208 1.00 0.00 H new ATOM 649 N LEU A 42 -10.983 -4.661 4.669 1.00 0.00 N ATOM 650 CA LEU A 42 -10.804 -4.120 6.003 1.00 0.00 C ATOM 651 C LEU A 42 -10.857 -2.600 5.953 1.00 0.00 C ATOM 652 O LEU A 42 -10.407 -1.990 4.982 1.00 0.00 O ATOM 653 CB LEU A 42 -9.472 -4.582 6.601 1.00 0.00 C ATOM 654 CG LEU A 42 -9.336 -6.095 6.809 1.00 0.00 C ATOM 655 CD1 LEU A 42 -7.965 -6.436 7.373 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.429 -6.609 7.734 1.00 0.00 C ATOM 0 H LEU A 42 -10.117 -4.795 4.147 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.609 -4.487 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.665 -4.248 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.332 -4.086 7.562 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.444 -6.583 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.887 -7.514 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.193 -6.104 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.831 -5.934 8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.315 -7.685 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.351 -6.112 8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.405 -6.400 7.296 1.00 0.00 H new ATOM 668 N SER A 43 -11.432 -1.995 6.983 1.00 0.00 N ATOM 669 CA SER A 43 -11.507 -0.564 7.085 1.00 0.00 C ATOM 670 C SER A 43 -10.107 0.038 7.127 1.00 0.00 C ATOM 671 O SER A 43 -9.233 -0.459 7.841 1.00 0.00 O ATOM 672 CB SER A 43 -12.283 -0.223 8.345 1.00 0.00 C ATOM 673 OG SER A 43 -13.495 -0.958 8.406 1.00 0.00 O ATOM 0 H SER A 43 -11.856 -2.492 7.766 1.00 0.00 H new ATOM 0 HA SER A 43 -12.015 -0.147 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.675 -0.443 9.222 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.499 0.845 8.366 1.00 0.00 H new ATOM 0 HG SER A 43 -13.978 -0.725 9.226 1.00 0.00 H new ATOM 679 N VAL A 44 -9.909 1.110 6.372 1.00 0.00 N ATOM 680 CA VAL A 44 -8.596 1.734 6.233 1.00 0.00 C ATOM 681 C VAL A 44 -8.049 2.213 7.589 1.00 0.00 C ATOM 682 O VAL A 44 -6.837 2.329 7.781 1.00 0.00 O ATOM 683 CB VAL A 44 -8.654 2.910 5.229 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.606 3.988 5.710 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.269 3.491 4.978 1.00 0.00 C ATOM 0 H VAL A 44 -10.648 1.571 5.841 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.913 0.977 5.848 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.030 2.518 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.628 4.803 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.607 3.569 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.268 4.368 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.343 4.315 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.852 3.857 5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.619 2.718 4.569 1.00 0.00 H new ATOM 695 N GLN A 45 -8.950 2.469 8.534 1.00 0.00 N ATOM 696 CA GLN A 45 -8.558 2.891 9.874 1.00 0.00 C ATOM 697 C GLN A 45 -7.980 1.720 10.673 1.00 0.00 C ATOM 698 O GLN A 45 -7.163 1.904 11.574 1.00 0.00 O ATOM 699 CB GLN A 45 -9.756 3.484 10.618 1.00 0.00 C ATOM 700 CG GLN A 45 -9.403 4.024 11.992 1.00 0.00 C ATOM 701 CD GLN A 45 -10.574 4.674 12.689 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.728 4.291 12.494 1.00 0.00 O ATOM 703 NE2 GLN A 45 -10.282 5.666 13.509 1.00 0.00 N ATOM 0 H GLN A 45 -9.958 2.391 8.395 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.786 3.654 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.185 4.287 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.525 2.718 10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.026 3.210 12.610 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.596 4.751 11.895 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.311 5.950 13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.027 6.148 14.011 1.00 0.00 H new ATOM 712 N ASP A 46 -8.388 0.510 10.321 1.00 0.00 N ATOM 713 CA ASP A 46 -8.009 -0.671 11.086 1.00 0.00 C ATOM 714 C ASP A 46 -6.706 -1.258 10.557 1.00 0.00 C ATOM 715 O ASP A 46 -6.076 -2.091 11.209 1.00 0.00 O ATOM 716 CB ASP A 46 -9.120 -1.719 11.024 1.00 0.00 C ATOM 717 CG ASP A 46 -9.217 -2.543 12.296 1.00 0.00 C ATOM 718 OD1 ASP A 46 -8.506 -3.563 12.417 1.00 0.00 O ATOM 719 OD2 ASP A 46 -10.018 -2.174 13.183 1.00 0.00 O ATOM 0 H ASP A 46 -8.980 0.319 9.513 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.859 -0.375 12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.073 -1.222 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.941 -2.383 10.178 1.00 0.00 H new ATOM 724 N VAL A 47 -6.309 -0.818 9.369 1.00 0.00 N ATOM 725 CA VAL A 47 -5.069 -1.279 8.751 1.00 0.00 C ATOM 726 C VAL A 47 -3.877 -0.965 9.648 1.00 0.00 C ATOM 727 O VAL A 47 -3.563 0.200 9.904 1.00 0.00 O ATOM 728 CB VAL A 47 -4.849 -0.645 7.359 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.553 -1.144 6.734 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.028 -0.945 6.447 1.00 0.00 C ATOM 0 H VAL A 47 -6.829 -0.140 8.812 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.156 -2.358 8.623 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.772 0.435 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.420 -0.684 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.713 -0.879 7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.596 -2.227 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.857 -0.491 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.134 -2.024 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.939 -0.535 6.883 1.00 0.00 H new ATOM 740 N ASP A 48 -3.234 -2.015 10.136 1.00 0.00 N ATOM 741 CA ASP A 48 -2.107 -1.881 11.048 1.00 0.00 C ATOM 742 C ASP A 48 -0.858 -2.533 10.465 1.00 0.00 C ATOM 743 O ASP A 48 -0.932 -3.269 9.482 1.00 0.00 O ATOM 744 CB ASP A 48 -2.456 -2.512 12.405 1.00 0.00 C ATOM 745 CG ASP A 48 -1.283 -2.581 13.363 1.00 0.00 C ATOM 746 OD1 ASP A 48 -0.853 -1.526 13.865 1.00 0.00 O ATOM 747 OD2 ASP A 48 -0.769 -3.694 13.597 1.00 0.00 O ATOM 0 H ASP A 48 -3.477 -2.980 9.913 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.899 -0.821 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.259 -1.937 12.868 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.839 -3.519 12.240 1.00 0.00 H new ATOM 752 N THR A 49 0.274 -2.255 11.093 1.00 0.00 N ATOM 753 CA THR A 49 1.565 -2.783 10.680 1.00 0.00 C ATOM 754 C THR A 49 1.544 -4.309 10.603 1.00 0.00 C ATOM 755 O THR A 49 2.038 -4.898 9.640 1.00 0.00 O ATOM 756 CB THR A 49 2.662 -2.336 11.666 1.00 0.00 C ATOM 757 OG1 THR A 49 2.628 -0.912 11.809 1.00 0.00 O ATOM 758 CG2 THR A 49 4.039 -2.763 11.187 1.00 0.00 C ATOM 0 H THR A 49 0.323 -1.650 11.913 1.00 0.00 H new ATOM 0 HA THR A 49 1.781 -2.390 9.687 1.00 0.00 H new ATOM 0 HB THR A 49 2.470 -2.812 12.627 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.792 -0.492 10.939 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.792 -2.433 11.903 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.073 -3.849 11.099 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.242 -2.313 10.215 1.00 0.00 H new ATOM 766 N LYS A 50 0.949 -4.945 11.607 1.00 0.00 N ATOM 767 CA LYS A 50 0.898 -6.400 11.661 1.00 0.00 C ATOM 768 C LYS A 50 0.071 -6.939 10.495 1.00 0.00 C ATOM 769 O LYS A 50 0.413 -7.957 9.896 1.00 0.00 O ATOM 770 CB LYS A 50 0.312 -6.856 13.002 1.00 0.00 C ATOM 771 CG LYS A 50 0.747 -8.252 13.431 1.00 0.00 C ATOM 772 CD LYS A 50 0.054 -9.347 12.634 1.00 0.00 C ATOM 773 CE LYS A 50 0.696 -10.706 12.866 1.00 0.00 C ATOM 774 NZ LYS A 50 0.630 -11.123 14.291 1.00 0.00 N ATOM 0 H LYS A 50 0.497 -4.476 12.392 1.00 0.00 H new ATOM 0 HA LYS A 50 1.910 -6.797 11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.603 -6.144 13.774 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.776 -6.830 12.938 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.826 -8.346 13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.532 -8.387 14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.999 -9.390 12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.092 -9.103 11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.197 -11.452 12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.738 -10.673 12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.971 -12.101 14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.226 -10.493 14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.354 -11.067 14.624 1.00 0.00 H new ATOM 788 N LEU A 51 -1.002 -6.234 10.161 1.00 0.00 N ATOM 789 CA LEU A 51 -1.852 -6.614 9.046 1.00 0.00 C ATOM 790 C LEU A 51 -1.088 -6.512 7.728 1.00 0.00 C ATOM 791 O LEU A 51 -1.251 -7.346 6.837 1.00 0.00 O ATOM 792 CB LEU A 51 -3.101 -5.732 9.008 1.00 0.00 C ATOM 793 CG LEU A 51 -4.038 -5.878 10.210 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.268 -4.999 10.041 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.444 -7.332 10.398 1.00 0.00 C ATOM 0 H LEU A 51 -1.303 -5.392 10.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.160 -7.650 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.789 -4.690 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.661 -5.961 8.101 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.503 -5.552 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.921 -5.117 10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.961 -3.956 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.804 -5.293 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.110 -7.416 11.257 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.959 -7.685 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.555 -7.939 10.568 1.00 0.00 H new ATOM 807 N ILE A 52 -0.251 -5.486 7.615 1.00 0.00 N ATOM 808 CA ILE A 52 0.588 -5.305 6.437 1.00 0.00 C ATOM 809 C ILE A 52 1.611 -6.436 6.337 1.00 0.00 C ATOM 810 O ILE A 52 1.888 -6.946 5.249 1.00 0.00 O ATOM 811 CB ILE A 52 1.313 -3.940 6.465 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.290 -2.803 6.538 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.206 -3.779 5.241 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.911 -1.429 6.641 1.00 0.00 C ATOM 0 H ILE A 52 -0.136 -4.765 8.328 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.060 -5.327 5.561 1.00 0.00 H new ATOM 0 HB ILE A 52 1.945 -3.900 7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.344 -2.840 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.358 -2.964 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.707 -2.812 5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.952 -4.574 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.599 -3.836 4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.124 -0.677 6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.522 -1.372 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.536 -1.246 5.767 1.00 0.00 H new ATOM 826 N MET A 53 2.153 -6.836 7.484 1.00 0.00 N ATOM 827 CA MET A 53 3.096 -7.952 7.544 1.00 0.00 C ATOM 828 C MET A 53 2.459 -9.228 7.007 1.00 0.00 C ATOM 829 O MET A 53 3.114 -10.023 6.345 1.00 0.00 O ATOM 830 CB MET A 53 3.577 -8.189 8.978 1.00 0.00 C ATOM 831 CG MET A 53 4.440 -7.071 9.538 1.00 0.00 C ATOM 832 SD MET A 53 4.969 -7.397 11.234 1.00 0.00 S ATOM 833 CE MET A 53 5.992 -5.965 11.552 1.00 0.00 C ATOM 0 H MET A 53 1.956 -6.404 8.387 1.00 0.00 H new ATOM 0 HA MET A 53 3.952 -7.690 6.923 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.709 -8.321 9.624 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.142 -9.120 9.010 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.318 -6.941 8.905 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.883 -6.135 9.507 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.946 -6.285 11.971 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.167 -5.429 10.619 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.487 -5.307 12.259 1.00 0.00 H new ATOM 843 N LYS A 54 1.174 -9.408 7.294 1.00 0.00 N ATOM 844 CA LYS A 54 0.436 -10.574 6.823 1.00 0.00 C ATOM 845 C LYS A 54 0.390 -10.609 5.298 1.00 0.00 C ATOM 846 O LYS A 54 0.482 -11.677 4.691 1.00 0.00 O ATOM 847 CB LYS A 54 -0.983 -10.579 7.396 1.00 0.00 C ATOM 848 CG LYS A 54 -1.027 -10.658 8.915 1.00 0.00 C ATOM 849 CD LYS A 54 -2.450 -10.569 9.446 1.00 0.00 C ATOM 850 CE LYS A 54 -3.288 -11.762 9.018 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.687 -11.664 9.510 1.00 0.00 N ATOM 0 H LYS A 54 0.621 -8.758 7.853 1.00 0.00 H new ATOM 0 HA LYS A 54 0.957 -11.466 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.500 -9.675 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.530 -11.425 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.575 -11.594 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.430 -9.850 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.429 -10.511 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.915 -9.651 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.290 -11.832 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.834 -12.678 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.225 -12.497 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.687 -11.623 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.129 -10.803 9.129 1.00 0.00 H new ATOM 865 N VAL A 55 0.248 -9.437 4.688 1.00 0.00 N ATOM 866 CA VAL A 55 0.180 -9.331 3.234 1.00 0.00 C ATOM 867 C VAL A 55 1.545 -9.595 2.605 1.00 0.00 C ATOM 868 O VAL A 55 1.655 -10.308 1.611 1.00 0.00 O ATOM 869 CB VAL A 55 -0.307 -7.933 2.790 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.480 -7.876 1.278 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.603 -7.562 3.493 1.00 0.00 C ATOM 0 H VAL A 55 0.178 -8.545 5.178 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.534 -10.082 2.896 1.00 0.00 H new ATOM 0 HB VAL A 55 0.453 -7.205 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.823 -6.883 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.474 -8.085 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.215 -8.619 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.925 -6.574 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.372 -8.295 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.442 -7.551 4.571 1.00 0.00 H new ATOM 881 N LEU A 56 2.581 -9.021 3.202 1.00 0.00 N ATOM 882 CA LEU A 56 3.929 -9.105 2.654 1.00 0.00 C ATOM 883 C LEU A 56 4.566 -10.461 2.933 1.00 0.00 C ATOM 884 O LEU A 56 5.455 -10.892 2.200 1.00 0.00 O ATOM 885 CB LEU A 56 4.806 -8.000 3.243 1.00 0.00 C ATOM 886 CG LEU A 56 4.317 -6.574 2.990 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.221 -5.576 3.694 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.259 -6.283 1.497 1.00 0.00 C ATOM 0 H LEU A 56 2.513 -8.490 4.070 1.00 0.00 H new ATOM 0 HA LEU A 56 3.853 -8.980 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.883 -8.155 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.811 -8.100 2.834 1.00 0.00 H new ATOM 0 HG LEU A 56 3.310 -6.476 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.862 -4.564 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.212 -5.771 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.238 -5.676 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.909 -5.263 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.253 -6.396 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.573 -6.981 1.017 1.00 0.00 H new ATOM 900 N ASP A 57 4.093 -11.118 3.991 1.00 0.00 N ATOM 901 CA ASP A 57 4.648 -12.396 4.466 1.00 0.00 C ATOM 902 C ASP A 57 4.935 -13.379 3.322 1.00 0.00 C ATOM 903 O ASP A 57 6.073 -13.827 3.167 1.00 0.00 O ATOM 904 CB ASP A 57 3.689 -13.041 5.475 1.00 0.00 C ATOM 905 CG ASP A 57 4.314 -14.189 6.241 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.080 -13.936 7.189 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.014 -15.357 5.914 1.00 0.00 O ATOM 0 H ASP A 57 3.309 -10.781 4.550 1.00 0.00 H new ATOM 0 HA ASP A 57 5.601 -12.171 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.351 -12.283 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.806 -13.402 4.948 1.00 0.00 H new ATOM 912 N PRO A 58 3.926 -13.731 2.497 1.00 0.00 N ATOM 913 CA PRO A 58 4.122 -14.682 1.400 1.00 0.00 C ATOM 914 C PRO A 58 4.938 -14.091 0.252 1.00 0.00 C ATOM 915 O PRO A 58 5.567 -14.820 -0.517 1.00 0.00 O ATOM 916 CB PRO A 58 2.697 -14.984 0.935 1.00 0.00 C ATOM 917 CG PRO A 58 1.914 -13.771 1.296 1.00 0.00 C ATOM 918 CD PRO A 58 2.531 -13.243 2.561 1.00 0.00 C ATOM 0 HA PRO A 58 4.679 -15.562 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.663 -15.172 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.300 -15.872 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.957 -13.027 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.863 -14.016 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.488 -12.155 2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.015 -13.617 3.445 1.00 0.00 H new ATOM 926 N ILE A 59 4.933 -12.767 0.151 1.00 0.00 N ATOM 927 CA ILE A 59 5.589 -12.078 -0.949 1.00 0.00 C ATOM 928 C ILE A 59 7.104 -12.072 -0.769 1.00 0.00 C ATOM 929 O ILE A 59 7.844 -12.099 -1.747 1.00 0.00 O ATOM 930 CB ILE A 59 5.075 -10.628 -1.078 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.541 -10.606 -1.052 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.589 -9.983 -2.359 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.896 -11.347 -2.207 1.00 0.00 C ATOM 0 H ILE A 59 4.479 -12.148 0.823 1.00 0.00 H new ATOM 0 HA ILE A 59 5.347 -12.621 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 59 5.452 -10.054 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.197 -11.044 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.202 -9.570 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.214 -8.962 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.679 -9.969 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.243 -10.556 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.811 -11.286 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.209 -10.896 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.204 -12.392 -2.186 1.00 0.00 H new ATOM 945 N TRP A 60 7.563 -12.064 0.483 1.00 0.00 N ATOM 946 CA TRP A 60 8.998 -12.057 0.774 1.00 0.00 C ATOM 947 C TRP A 60 9.681 -13.311 0.233 1.00 0.00 C ATOM 948 O TRP A 60 10.866 -13.290 -0.097 1.00 0.00 O ATOM 949 CB TRP A 60 9.257 -11.944 2.281 1.00 0.00 C ATOM 950 CG TRP A 60 8.892 -10.609 2.862 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.954 -10.360 3.822 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.462 -9.337 2.521 1.00 0.00 C ATOM 953 NE1 TRP A 60 7.903 -9.014 4.095 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.817 -8.365 3.309 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.454 -8.926 1.625 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.131 -7.011 3.227 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.765 -7.582 1.547 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.105 -6.638 2.342 1.00 0.00 C ATOM 0 H TRP A 60 6.965 -12.062 1.309 1.00 0.00 H new ATOM 0 HA TRP A 60 9.420 -11.184 0.275 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.691 -12.720 2.796 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.312 -12.137 2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.341 -11.111 4.298 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.284 -8.570 4.774 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.968 -9.646 1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.624 -6.281 3.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.531 -7.254 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.370 -5.595 2.255 1.00 0.00 H new ATOM 969 N GLU A 61 8.933 -14.401 0.150 1.00 0.00 N ATOM 970 CA GLU A 61 9.453 -15.640 -0.371 1.00 0.00 C ATOM 971 C GLU A 61 9.417 -15.644 -1.899 1.00 0.00 C ATOM 972 O GLU A 61 10.321 -16.170 -2.549 1.00 0.00 O ATOM 973 CB GLU A 61 8.634 -16.794 0.186 1.00 0.00 C ATOM 974 CG GLU A 61 8.737 -16.938 1.697 1.00 0.00 C ATOM 975 CD GLU A 61 10.161 -17.161 2.168 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.663 -18.299 2.050 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.786 -16.204 2.671 1.00 0.00 O ATOM 0 H GLU A 61 7.957 -14.444 0.442 1.00 0.00 H new ATOM 0 HA GLU A 61 10.493 -15.751 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.588 -16.652 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.963 -17.722 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.338 -16.041 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.116 -17.773 2.021 1.00 0.00 H new ATOM 984 N GLN A 62 8.379 -15.036 -2.464 1.00 0.00 N ATOM 985 CA GLN A 62 8.196 -15.015 -3.909 1.00 0.00 C ATOM 986 C GLN A 62 9.056 -13.933 -4.560 1.00 0.00 C ATOM 987 O GLN A 62 9.922 -14.228 -5.389 1.00 0.00 O ATOM 988 CB GLN A 62 6.721 -14.784 -4.250 1.00 0.00 C ATOM 989 CG GLN A 62 5.805 -15.899 -3.778 1.00 0.00 C ATOM 990 CD GLN A 62 4.341 -15.615 -4.052 1.00 0.00 C ATOM 991 OE1 GLN A 62 3.648 -15.023 -3.226 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.856 -16.039 -5.208 1.00 0.00 N ATOM 0 H GLN A 62 7.651 -14.550 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 62 8.510 -15.982 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.396 -13.845 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.619 -14.674 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.088 -16.829 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.947 -16.050 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.463 -16.526 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.876 -15.878 -5.439 1.00 0.00 H new ATOM 1001 N LYS A 63 8.819 -12.686 -4.170 1.00 0.00 N ATOM 1002 CA LYS A 63 9.495 -11.535 -4.761 1.00 0.00 C ATOM 1003 C LYS A 63 9.775 -10.481 -3.690 1.00 0.00 C ATOM 1004 O LYS A 63 8.982 -9.558 -3.492 1.00 0.00 O ATOM 1005 CB LYS A 63 8.651 -10.931 -5.890 1.00 0.00 C ATOM 1006 CG LYS A 63 8.459 -11.861 -7.079 1.00 0.00 C ATOM 1007 CD LYS A 63 7.482 -11.292 -8.101 1.00 0.00 C ATOM 1008 CE LYS A 63 8.002 -10.017 -8.748 1.00 0.00 C ATOM 1009 NZ LYS A 63 9.299 -10.230 -9.440 1.00 0.00 N ATOM 0 H LYS A 63 8.154 -12.443 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 63 10.442 -11.872 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.673 -10.657 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.125 -10.011 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.422 -12.039 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.094 -12.826 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.292 -12.037 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.528 -11.087 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.267 -9.648 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.120 -9.247 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.516 -9.403 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.052 -10.358 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.238 -11.078 -10.039 1.00 0.00 H new ATOM 1023 N PRO A 64 10.903 -10.627 -2.972 1.00 0.00 N ATOM 1024 CA PRO A 64 11.256 -9.763 -1.836 1.00 0.00 C ATOM 1025 C PRO A 64 11.300 -8.280 -2.198 1.00 0.00 C ATOM 1026 O PRO A 64 10.698 -7.446 -1.517 1.00 0.00 O ATOM 1027 CB PRO A 64 12.651 -10.245 -1.427 1.00 0.00 C ATOM 1028 CG PRO A 64 12.764 -11.628 -1.968 1.00 0.00 C ATOM 1029 CD PRO A 64 11.923 -11.664 -3.213 1.00 0.00 C ATOM 0 HA PRO A 64 10.510 -9.836 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.426 -9.598 -1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.768 -10.236 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.802 -11.874 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.413 -12.360 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.514 -11.446 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.471 -12.644 -3.363 1.00 0.00 H new ATOM 1037 N GLU A 65 12.003 -7.956 -3.274 1.00 0.00 N ATOM 1038 CA GLU A 65 12.158 -6.584 -3.703 1.00 0.00 C ATOM 1039 C GLU A 65 10.804 -5.964 -4.026 1.00 0.00 C ATOM 1040 O GLU A 65 10.540 -4.806 -3.701 1.00 0.00 O ATOM 1041 CB GLU A 65 13.063 -6.542 -4.924 1.00 0.00 C ATOM 1042 CG GLU A 65 14.450 -7.114 -4.681 1.00 0.00 C ATOM 1043 CD GLU A 65 15.180 -6.409 -3.558 1.00 0.00 C ATOM 1044 OE1 GLU A 65 15.269 -5.162 -3.589 1.00 0.00 O ATOM 1045 OE2 GLU A 65 15.677 -7.100 -2.644 1.00 0.00 O ATOM 0 H GLU A 65 12.477 -8.637 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 65 12.608 -6.006 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.589 -7.095 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.160 -5.509 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.366 -8.175 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.037 -7.036 -5.596 1.00 0.00 H new ATOM 1052 N THR A 66 9.937 -6.756 -4.634 1.00 0.00 N ATOM 1053 CA THR A 66 8.618 -6.284 -5.016 1.00 0.00 C ATOM 1054 C THR A 66 7.761 -6.006 -3.781 1.00 0.00 C ATOM 1055 O THR A 66 6.944 -5.090 -3.780 1.00 0.00 O ATOM 1056 CB THR A 66 7.912 -7.305 -5.927 1.00 0.00 C ATOM 1057 OG1 THR A 66 8.769 -7.632 -7.027 1.00 0.00 O ATOM 1058 CG2 THR A 66 6.599 -6.757 -6.465 1.00 0.00 C ATOM 0 H THR A 66 10.124 -7.730 -4.874 1.00 0.00 H new ATOM 0 HA THR A 66 8.746 -5.354 -5.569 1.00 0.00 H new ATOM 0 HB THR A 66 7.695 -8.194 -5.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.368 -7.311 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.128 -7.504 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.935 -6.520 -5.633 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.792 -5.854 -7.044 1.00 0.00 H new ATOM 1066 N ALA A 67 7.974 -6.784 -2.729 1.00 0.00 N ATOM 1067 CA ALA A 67 7.251 -6.589 -1.476 1.00 0.00 C ATOM 1068 C ALA A 67 7.554 -5.219 -0.875 1.00 0.00 C ATOM 1069 O ALA A 67 6.653 -4.518 -0.412 1.00 0.00 O ATOM 1070 CB ALA A 67 7.602 -7.693 -0.490 1.00 0.00 C ATOM 0 H ALA A 67 8.641 -7.556 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 67 6.183 -6.633 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.057 -7.537 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.328 -8.659 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.673 -7.675 -0.290 1.00 0.00 H new ATOM 1076 N SER A 68 8.823 -4.831 -0.901 1.00 0.00 N ATOM 1077 CA SER A 68 9.238 -3.539 -0.370 1.00 0.00 C ATOM 1078 C SER A 68 8.735 -2.406 -1.265 1.00 0.00 C ATOM 1079 O SER A 68 8.329 -1.354 -0.778 1.00 0.00 O ATOM 1080 CB SER A 68 10.767 -3.485 -0.242 1.00 0.00 C ATOM 1081 OG SER A 68 11.191 -2.292 0.404 1.00 0.00 O ATOM 0 H SER A 68 9.583 -5.393 -1.284 1.00 0.00 H new ATOM 0 HA SER A 68 8.801 -3.413 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.117 -4.350 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.219 -3.545 -1.232 1.00 0.00 H new ATOM 0 HG SER A 68 12.169 -2.287 0.472 1.00 0.00 H new ATOM 1087 N ARG A 69 8.747 -2.634 -2.573 1.00 0.00 N ATOM 1088 CA ARG A 69 8.276 -1.647 -3.529 1.00 0.00 C ATOM 1089 C ARG A 69 6.756 -1.489 -3.452 1.00 0.00 C ATOM 1090 O ARG A 69 6.218 -0.402 -3.674 1.00 0.00 O ATOM 1091 CB ARG A 69 8.716 -2.054 -4.934 1.00 0.00 C ATOM 1092 CG ARG A 69 10.225 -2.088 -5.097 1.00 0.00 C ATOM 1093 CD ARG A 69 10.630 -2.456 -6.513 1.00 0.00 C ATOM 1094 NE ARG A 69 12.064 -2.727 -6.626 1.00 0.00 N ATOM 1095 CZ ARG A 69 12.796 -2.430 -7.699 1.00 0.00 C ATOM 1096 NH1 ARG A 69 12.271 -1.722 -8.691 1.00 0.00 N ATOM 1097 NH2 ARG A 69 14.064 -2.812 -7.762 1.00 0.00 N ATOM 0 H ARG A 69 9.081 -3.501 -2.995 1.00 0.00 H new ATOM 0 HA ARG A 69 8.714 -0.679 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.309 -3.038 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.294 -1.356 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.640 -1.113 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.650 -2.809 -4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.070 -3.335 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.361 -1.644 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 69 12.531 -3.170 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.304 -1.403 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.835 -1.497 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.479 -3.333 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.625 -2.585 -8.583 1.00 0.00 H new ATOM 1111 N LEU A 70 6.070 -2.581 -3.134 1.00 0.00 N ATOM 1112 CA LEU A 70 4.622 -2.562 -2.946 1.00 0.00 C ATOM 1113 C LEU A 70 4.254 -1.683 -1.753 1.00 0.00 C ATOM 1114 O LEU A 70 3.220 -1.012 -1.755 1.00 0.00 O ATOM 1115 CB LEU A 70 4.093 -3.984 -2.734 1.00 0.00 C ATOM 1116 CG LEU A 70 2.577 -4.108 -2.563 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.853 -3.686 -3.834 1.00 0.00 C ATOM 1118 CD2 LEU A 70 2.202 -5.532 -2.180 1.00 0.00 C ATOM 0 H LEU A 70 6.496 -3.498 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 70 4.162 -2.147 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.396 -4.595 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.576 -4.404 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 70 2.267 -3.440 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.777 -3.782 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.097 -2.649 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.166 -4.324 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.121 -5.604 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.528 -6.217 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.688 -5.796 -1.241 1.00 0.00 H new ATOM 1130 N ARG A 71 5.124 -1.690 -0.743 1.00 0.00 N ATOM 1131 CA ARG A 71 4.929 -0.896 0.463 1.00 0.00 C ATOM 1132 C ARG A 71 4.750 0.584 0.137 1.00 0.00 C ATOM 1133 O ARG A 71 3.970 1.279 0.789 1.00 0.00 O ATOM 1134 CB ARG A 71 6.120 -1.068 1.405 1.00 0.00 C ATOM 1135 CG ARG A 71 6.264 -2.463 1.983 1.00 0.00 C ATOM 1136 CD ARG A 71 7.332 -2.500 3.064 1.00 0.00 C ATOM 1137 NE ARG A 71 8.639 -2.070 2.563 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.357 -1.074 3.087 1.00 0.00 C ATOM 1139 NH1 ARG A 71 8.877 -0.363 4.100 1.00 0.00 N ATOM 1140 NH2 ARG A 71 10.550 -0.785 2.585 1.00 0.00 N ATOM 0 H ARG A 71 5.980 -2.245 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 71 4.020 -1.253 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.033 -0.815 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.025 -0.356 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.310 -2.788 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.521 -3.164 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.032 -1.857 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.411 -3.512 3.460 1.00 0.00 H new ATOM 0 HE ARG A 71 9.027 -2.565 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.956 -0.577 4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.430 0.397 4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.917 -1.323 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.100 -0.024 2.984 1.00 0.00 H new ATOM 1154 N GLY A 72 5.470 1.055 -0.877 1.00 0.00 N ATOM 1155 CA GLY A 72 5.398 2.455 -1.261 1.00 0.00 C ATOM 1156 C GLY A 72 4.001 2.875 -1.679 1.00 0.00 C ATOM 1157 O GLY A 72 3.568 3.992 -1.390 1.00 0.00 O ATOM 0 H GLY A 72 6.104 0.490 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.725 3.074 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.090 2.638 -2.083 1.00 0.00 H new ATOM 1161 N ARG A 73 3.286 1.970 -2.343 1.00 0.00 N ATOM 1162 CA ARG A 73 1.924 2.252 -2.786 1.00 0.00 C ATOM 1163 C ARG A 73 1.001 2.372 -1.583 1.00 0.00 C ATOM 1164 O ARG A 73 0.227 3.322 -1.470 1.00 0.00 O ATOM 1165 CB ARG A 73 1.411 1.152 -3.721 1.00 0.00 C ATOM 1166 CG ARG A 73 2.342 0.855 -4.881 1.00 0.00 C ATOM 1167 CD ARG A 73 1.710 -0.092 -5.892 1.00 0.00 C ATOM 1168 NE ARG A 73 2.664 -0.493 -6.924 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.927 0.224 -8.018 1.00 0.00 C ATOM 1170 NH1 ARG A 73 2.285 1.363 -8.239 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.825 -0.198 -8.899 1.00 0.00 N ATOM 0 H ARG A 73 3.626 1.039 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 73 1.934 3.194 -3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.260 0.239 -3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.438 1.446 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.612 1.787 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.265 0.417 -4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.336 -0.977 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.852 0.392 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 73 3.160 -1.376 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.588 1.693 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.488 1.909 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.320 -1.076 -8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.021 0.356 -9.733 1.00 0.00 H new ATOM 1185 N ILE A 74 1.115 1.409 -0.677 1.00 0.00 N ATOM 1186 CA ILE A 74 0.296 1.379 0.528 1.00 0.00 C ATOM 1187 C ILE A 74 0.562 2.614 1.386 1.00 0.00 C ATOM 1188 O ILE A 74 -0.368 3.261 1.872 1.00 0.00 O ATOM 1189 CB ILE A 74 0.579 0.104 1.356 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.392 -1.146 0.488 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.326 0.045 2.580 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.755 -2.438 1.192 1.00 0.00 C ATOM 0 H ILE A 74 1.772 0.633 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.750 1.374 0.220 1.00 0.00 H new ATOM 0 HB ILE A 74 1.613 0.138 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.647 -1.199 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.002 -1.048 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.111 -0.860 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.148 0.919 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.368 0.034 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.597 -3.278 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.802 -2.407 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.127 -2.560 2.075 1.00 0.00 H new ATOM 1204 N GLU A 75 1.836 2.951 1.544 1.00 0.00 N ATOM 1205 CA GLU A 75 2.243 4.088 2.358 1.00 0.00 C ATOM 1206 C GLU A 75 1.649 5.383 1.800 1.00 0.00 C ATOM 1207 O GLU A 75 1.099 6.195 2.546 1.00 0.00 O ATOM 1208 CB GLU A 75 3.777 4.154 2.406 1.00 0.00 C ATOM 1209 CG GLU A 75 4.344 5.031 3.516 1.00 0.00 C ATOM 1210 CD GLU A 75 4.491 6.484 3.119 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.485 6.815 2.437 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.632 7.303 3.498 1.00 0.00 O ATOM 0 H GLU A 75 2.612 2.447 1.114 1.00 0.00 H new ATOM 0 HA GLU A 75 1.866 3.964 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.167 3.143 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.141 4.524 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.694 4.965 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.318 4.643 3.813 1.00 0.00 H new ATOM 1219 N SER A 76 1.722 5.546 0.482 1.00 0.00 N ATOM 1220 CA SER A 76 1.194 6.739 -0.176 1.00 0.00 C ATOM 1221 C SER A 76 -0.310 6.887 0.064 1.00 0.00 C ATOM 1222 O SER A 76 -0.796 7.978 0.365 1.00 0.00 O ATOM 1223 CB SER A 76 1.483 6.686 -1.675 1.00 0.00 C ATOM 1224 OG SER A 76 2.881 6.633 -1.927 1.00 0.00 O ATOM 0 H SER A 76 2.142 4.867 -0.153 1.00 0.00 H new ATOM 0 HA SER A 76 1.692 7.608 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.999 5.812 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.056 7.563 -2.162 1.00 0.00 H new ATOM 0 HG SER A 76 3.210 5.725 -1.758 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.038 5.778 -0.041 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.489 5.796 0.130 1.00 0.00 C ATOM 1232 C VAL A 77 -2.870 6.063 1.585 1.00 0.00 C ATOM 1233 O VAL A 77 -3.772 6.853 1.864 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.133 4.468 -0.335 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.636 4.483 -0.111 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.820 4.204 -1.797 1.00 0.00 C ATOM 0 H VAL A 77 -0.648 4.857 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.870 6.606 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.707 3.662 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.063 3.538 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.844 4.619 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.080 5.303 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.282 3.266 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.213 5.018 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.740 4.138 -1.932 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.172 5.414 2.511 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.468 5.555 3.935 1.00 0.00 C ATOM 1248 C LEU A 78 -2.232 6.982 4.415 1.00 0.00 C ATOM 1249 O LEU A 78 -2.969 7.483 5.260 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.632 4.579 4.763 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.946 3.099 4.536 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.007 2.225 5.347 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.394 2.797 4.895 1.00 0.00 C ATOM 0 H LEU A 78 -1.397 4.785 2.302 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.523 5.320 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.578 4.749 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.776 4.807 5.819 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.799 2.877 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.245 1.176 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.022 2.418 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.123 2.452 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.598 1.739 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.566 3.037 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.056 3.398 4.272 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.210 7.635 3.871 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.910 9.019 4.241 1.00 0.00 C ATOM 1267 C ASP A 79 -2.045 9.938 3.799 1.00 0.00 C ATOM 1268 O ASP A 79 -2.515 10.785 4.561 1.00 0.00 O ATOM 1269 CB ASP A 79 0.410 9.464 3.607 1.00 0.00 C ATOM 1270 CG ASP A 79 0.859 10.830 4.086 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.458 10.912 5.176 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.640 11.824 3.366 1.00 0.00 O ATOM 0 H ASP A 79 -0.578 7.234 3.178 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.812 9.078 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.183 8.731 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.299 9.482 2.523 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.497 9.734 2.569 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.621 10.477 2.015 1.00 0.00 C ATOM 1279 C TRP A 80 -4.881 10.233 2.846 1.00 0.00 C ATOM 1280 O TRP A 80 -5.615 11.166 3.179 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.840 10.042 0.561 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.988 10.716 -0.131 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.968 11.928 -0.763 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.320 10.206 -0.282 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.207 12.204 -1.289 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -7.052 11.163 -1.008 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.964 9.034 0.127 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.393 10.984 -1.329 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.295 8.859 -0.195 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.996 9.830 -0.917 1.00 0.00 C ATOM 0 H TRP A 80 -2.096 9.050 1.928 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.402 11.544 2.042 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.928 10.238 -0.003 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.003 8.964 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.105 12.574 -0.838 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.457 13.047 -1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.430 8.279 0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.939 11.732 -1.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.803 7.958 0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.037 9.664 -1.154 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.111 8.970 3.193 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.273 8.585 3.982 1.00 0.00 C ATOM 1303 C ALA A 81 -6.256 9.246 5.357 1.00 0.00 C ATOM 1304 O ALA A 81 -7.303 9.632 5.880 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.336 7.075 4.125 1.00 0.00 C ATOM 0 H ALA A 81 -4.502 8.192 2.937 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.163 8.930 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.209 6.802 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.410 6.619 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.434 6.719 4.623 1.00 0.00 H new ATOM 1311 N THR A 82 -5.071 9.377 5.930 1.00 0.00 N ATOM 1312 CA THR A 82 -4.917 9.992 7.241 1.00 0.00 C ATOM 1313 C THR A 82 -5.306 11.472 7.212 1.00 0.00 C ATOM 1314 O THR A 82 -6.001 11.964 8.106 1.00 0.00 O ATOM 1315 CB THR A 82 -3.473 9.834 7.757 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.139 8.442 7.819 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.306 10.453 9.139 1.00 0.00 C ATOM 0 H THR A 82 -4.197 9.065 5.507 1.00 0.00 H new ATOM 0 HA THR A 82 -5.591 9.475 7.924 1.00 0.00 H new ATOM 0 HB THR A 82 -2.807 10.353 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.028 8.091 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.277 10.324 9.473 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.542 11.516 9.092 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.980 9.962 9.841 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.886 12.173 6.167 1.00 0.00 N ATOM 1326 CA VAL A 83 -5.192 13.592 6.031 1.00 0.00 C ATOM 1327 C VAL A 83 -6.679 13.795 5.734 1.00 0.00 C ATOM 1328 O VAL A 83 -7.286 14.770 6.175 1.00 0.00 O ATOM 1329 CB VAL A 83 -4.346 14.247 4.918 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.637 15.737 4.813 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.867 14.006 5.170 1.00 0.00 C ATOM 0 H VAL A 83 -4.334 11.784 5.403 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.945 14.072 6.978 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.618 13.787 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.027 16.172 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.692 15.886 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.401 16.221 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.282 14.473 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.587 14.438 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.670 12.934 5.182 1.00 0.00 H new ATOM 1341 N ARG A 84 -7.264 12.862 4.989 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.677 12.937 4.642 1.00 0.00 C ATOM 1343 C ARG A 84 -9.565 12.438 5.785 1.00 0.00 C ATOM 1344 O ARG A 84 -10.792 12.490 5.696 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.956 12.156 3.354 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.717 12.960 2.081 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.303 13.516 2.002 1.00 0.00 C ATOM 1348 NE ARG A 84 -7.096 14.332 0.806 1.00 0.00 N ATOM 1349 CZ ARG A 84 -6.887 15.652 0.825 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -6.917 16.313 1.976 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -6.655 16.308 -0.307 1.00 0.00 N ATOM 0 H ARG A 84 -6.780 12.046 4.615 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.922 13.985 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.325 11.268 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.990 11.812 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.904 12.326 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.431 13.782 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.101 14.116 2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.590 12.692 2.005 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.112 13.864 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.100 15.813 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.757 17.320 1.990 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.636 15.804 -1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.496 17.315 -0.289 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.942 11.948 6.850 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.682 11.607 8.054 1.00 0.00 C ATOM 1367 C GLY A 85 -10.217 10.187 8.065 1.00 0.00 C ATOM 1368 O GLY A 85 -10.897 9.788 9.011 1.00 0.00 O ATOM 0 H GLY A 85 -7.937 11.780 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.034 11.747 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.516 12.300 8.165 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.901 9.413 7.033 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.366 8.028 6.953 1.00 0.00 C ATOM 1374 C TYR A 86 -9.650 7.178 8.001 1.00 0.00 C ATOM 1375 O TYR A 86 -10.122 6.109 8.394 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.139 7.458 5.549 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.883 8.203 4.461 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.257 8.389 4.535 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.211 8.727 3.365 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.942 9.075 3.549 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.888 9.416 2.376 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.252 9.587 2.473 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.930 10.283 1.495 1.00 0.00 O ATOM 0 H TYR A 86 -9.329 9.715 6.244 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.437 8.007 7.154 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.072 7.478 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.447 6.413 5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.801 7.990 5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.142 8.594 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.011 9.208 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.350 9.819 1.531 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.298 10.579 0.806 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.505 7.676 8.436 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.764 7.112 9.554 1.00 0.00 C ATOM 1395 C ARG A 87 -6.919 8.216 10.163 1.00 0.00 C ATOM 1396 O ARG A 87 -6.501 9.122 9.453 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.869 5.948 9.109 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.882 6.312 8.008 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.874 5.197 7.771 1.00 0.00 C ATOM 1400 NE ARG A 87 -3.921 5.077 8.876 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.689 3.947 9.549 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -4.373 2.843 9.260 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -2.776 3.925 10.513 1.00 0.00 N ATOM 0 H ARG A 87 -8.058 8.492 8.019 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.467 6.715 10.286 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.315 5.579 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.500 5.130 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.424 6.516 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.356 7.228 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.402 4.252 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.333 5.388 6.844 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.401 5.910 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.077 2.858 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.193 1.982 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.253 4.771 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.598 3.062 11.027 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.692 8.173 11.465 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.874 9.192 12.106 1.00 0.00 C ATOM 1419 C GLU A 88 -4.874 8.566 13.063 1.00 0.00 C ATOM 1420 O GLU A 88 -5.009 7.402 13.448 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.741 10.223 12.833 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.650 11.005 11.897 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.148 12.301 12.498 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -9.200 12.291 13.169 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -7.496 13.345 12.287 1.00 0.00 O ATOM 0 H GLU A 88 -7.056 7.456 12.092 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.320 9.709 11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.350 9.714 13.580 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.095 10.919 13.368 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.111 11.223 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.505 10.384 11.628 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.869 9.344 13.432 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.807 8.840 14.271 1.00 0.00 C ATOM 1434 C GLY A 89 -1.474 8.881 13.564 1.00 0.00 C ATOM 1435 O GLY A 89 -0.858 9.941 13.434 1.00 0.00 O ATOM 0 H GLY A 89 -3.771 10.323 13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.753 9.431 15.185 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.031 7.815 14.567 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.044 7.728 13.089 1.00 0.00 N ATOM 1440 CA ASP A 90 0.222 7.604 12.378 1.00 0.00 C ATOM 1441 C ASP A 90 0.088 6.518 11.313 1.00 0.00 C ATOM 1442 O ASP A 90 -0.851 5.716 11.362 1.00 0.00 O ATOM 1443 CB ASP A 90 1.346 7.252 13.364 1.00 0.00 C ATOM 1444 CG ASP A 90 2.733 7.531 12.818 1.00 0.00 C ATOM 1445 OD1 ASP A 90 3.291 6.674 12.107 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.285 8.609 13.116 1.00 0.00 O ATOM 0 H ASP A 90 -1.557 6.852 13.182 1.00 0.00 H new ATOM 0 HA ASP A 90 0.471 8.551 11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.204 7.820 14.283 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.272 6.197 13.627 1.00 0.00 H new ATOM 1451 N ASN A 91 0.995 6.497 10.346 1.00 0.00 N ATOM 1452 CA ASN A 91 0.980 5.470 9.320 1.00 0.00 C ATOM 1453 C ASN A 91 1.657 4.206 9.835 1.00 0.00 C ATOM 1454 O ASN A 91 2.670 4.274 10.523 1.00 0.00 O ATOM 1455 CB ASN A 91 1.698 5.972 8.065 1.00 0.00 C ATOM 1456 CG ASN A 91 0.765 6.652 7.081 1.00 0.00 C ATOM 1457 OD1 ASN A 91 -0.292 7.159 7.454 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.158 6.683 5.816 1.00 0.00 N ATOM 0 H ASN A 91 1.748 7.179 10.253 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.055 5.239 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.482 6.671 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.187 5.132 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.577 7.139 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.042 6.251 5.546 1.00 0.00 H new ATOM 1465 N PRO A 92 1.115 3.033 9.490 1.00 0.00 N ATOM 1466 CA PRO A 92 1.657 1.752 9.926 1.00 0.00 C ATOM 1467 C PRO A 92 2.650 1.161 8.928 1.00 0.00 C ATOM 1468 O PRO A 92 3.135 0.044 9.106 1.00 0.00 O ATOM 1469 CB PRO A 92 0.400 0.892 10.008 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.491 1.412 8.926 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.106 2.854 8.688 1.00 0.00 C ATOM 0 HA PRO A 92 2.221 1.827 10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.632 -0.162 9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.074 0.977 10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.372 0.826 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.538 1.336 9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.078 3.049 7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.895 3.536 9.005 1.00 0.00 H new ATOM 1479 N ALA A 93 2.958 1.922 7.886 1.00 0.00 N ATOM 1480 CA ALA A 93 3.813 1.436 6.814 1.00 0.00 C ATOM 1481 C ALA A 93 5.253 1.911 6.982 1.00 0.00 C ATOM 1482 O ALA A 93 6.113 1.615 6.151 1.00 0.00 O ATOM 1483 CB ALA A 93 3.264 1.875 5.467 1.00 0.00 C ATOM 0 H ALA A 93 2.628 2.879 7.761 1.00 0.00 H new ATOM 0 HA ALA A 93 3.819 0.347 6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.912 1.506 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.260 1.471 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.225 2.964 5.427 1.00 0.00 H new ATOM 1489 N ARG A 94 5.516 2.645 8.054 1.00 0.00 N ATOM 1490 CA ARG A 94 6.861 3.118 8.332 1.00 0.00 C ATOM 1491 C ARG A 94 7.566 2.186 9.314 1.00 0.00 C ATOM 1492 O ARG A 94 6.946 1.645 10.231 1.00 0.00 O ATOM 1493 CB ARG A 94 6.845 4.573 8.832 1.00 0.00 C ATOM 1494 CG ARG A 94 5.770 4.894 9.865 1.00 0.00 C ATOM 1495 CD ARG A 94 6.132 4.386 11.248 1.00 0.00 C ATOM 1496 NE ARG A 94 5.076 4.645 12.220 1.00 0.00 N ATOM 1497 CZ ARG A 94 4.926 3.961 13.344 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.759 2.972 13.638 1.00 0.00 N ATOM 1499 NH2 ARG A 94 3.935 4.265 14.169 1.00 0.00 N ATOM 0 H ARG A 94 4.817 2.924 8.742 1.00 0.00 H new ATOM 0 HA ARG A 94 7.429 3.107 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.820 4.803 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.711 5.233 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.618 5.973 9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.825 4.450 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.326 3.314 11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.054 4.863 11.579 1.00 0.00 H new ATOM 0 HE ARG A 94 4.415 5.396 12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.517 2.737 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.641 2.447 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.292 5.022 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.815 3.742 15.036 1.00 0.00 H new ATOM 1513 N TRP A 95 8.857 1.996 9.098 1.00 0.00 N ATOM 1514 CA TRP A 95 9.644 1.055 9.880 1.00 0.00 C ATOM 1515 C TRP A 95 10.988 1.645 10.271 1.00 0.00 C ATOM 1516 O TRP A 95 11.473 2.590 9.646 1.00 0.00 O ATOM 1517 CB TRP A 95 9.877 -0.224 9.082 1.00 0.00 C ATOM 1518 CG TRP A 95 8.837 -1.267 9.320 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.664 -1.982 10.464 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.836 -1.722 8.401 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.632 -2.871 10.316 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.100 -2.727 9.057 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.494 -1.383 7.088 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.042 -3.395 8.443 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.442 -2.043 6.483 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.728 -3.041 7.159 1.00 0.00 C ATOM 0 H TRP A 95 9.388 2.487 8.379 1.00 0.00 H new ATOM 0 HA TRP A 95 9.083 0.833 10.788 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.902 0.019 8.020 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.855 -0.631 9.339 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.255 -1.866 11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.311 -3.531 11.024 1.00 0.00 H new ATOM 0 HE3 TRP A 95 8.042 -0.619 6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.490 -4.164 8.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.165 -1.785 5.471 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.913 -3.541 6.657 1.00 0.00 H new ATOM 1537 N ARG A 96 11.583 1.078 11.309 1.00 0.00 N ATOM 1538 CA ARG A 96 12.931 1.438 11.702 1.00 0.00 C ATOM 1539 C ARG A 96 13.940 0.531 11.020 1.00 0.00 C ATOM 1540 O ARG A 96 14.867 0.999 10.359 1.00 0.00 O ATOM 1541 CB ARG A 96 13.085 1.368 13.222 1.00 0.00 C ATOM 1542 CG ARG A 96 12.497 2.567 13.944 1.00 0.00 C ATOM 1543 CD ARG A 96 13.171 3.852 13.492 1.00 0.00 C ATOM 1544 NE ARG A 96 12.679 5.026 14.204 1.00 0.00 N ATOM 1545 CZ ARG A 96 13.123 6.264 13.978 1.00 0.00 C ATOM 1546 NH1 ARG A 96 14.029 6.482 13.033 1.00 0.00 N ATOM 1547 NH2 ARG A 96 12.646 7.281 14.685 1.00 0.00 N ATOM 0 H ARG A 96 11.149 0.364 11.895 1.00 0.00 H new ATOM 0 HA ARG A 96 13.121 2.464 11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.603 0.461 13.587 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.144 1.288 13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.426 2.625 13.750 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.620 2.446 15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.247 3.765 13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.008 3.986 12.423 1.00 0.00 H new ATOM 0 HE ARG A 96 11.957 4.894 14.912 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.386 5.703 12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.368 7.428 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.939 7.117 15.402 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.986 8.227 14.511 1.00 0.00 H new ATOM 1561 N GLY A 97 13.731 -0.765 11.157 1.00 0.00 N ATOM 1562 CA GLY A 97 14.636 -1.729 10.571 1.00 0.00 C ATOM 1563 C GLY A 97 13.973 -3.069 10.335 1.00 0.00 C ATOM 1564 O GLY A 97 14.479 -4.099 10.781 1.00 0.00 O ATOM 0 H GLY A 97 12.946 -1.171 11.667 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.014 -1.341 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.496 -1.862 11.227 1.00 0.00 H new ATOM 1568 N TYR A 98 12.829 -3.049 9.642 1.00 0.00 N ATOM 1569 CA TYR A 98 12.102 -4.273 9.291 1.00 0.00 C ATOM 1570 C TYR A 98 13.037 -5.267 8.610 1.00 0.00 C ATOM 1571 O TYR A 98 13.153 -6.423 9.026 1.00 0.00 O ATOM 1572 CB TYR A 98 10.931 -3.944 8.362 1.00 0.00 C ATOM 1573 CG TYR A 98 10.052 -5.133 8.030 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.057 -5.548 8.902 1.00 0.00 C ATOM 1575 CD2 TYR A 98 10.217 -5.835 6.843 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.246 -6.625 8.602 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.412 -6.912 6.536 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.430 -7.305 7.418 1.00 0.00 C ATOM 1579 OH TYR A 98 7.623 -8.376 7.112 1.00 0.00 O ATOM 0 H TYR A 98 12.385 -2.192 9.312 1.00 0.00 H new ATOM 0 HA TYR A 98 11.715 -4.721 10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.318 -3.171 8.827 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.323 -3.525 7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.914 -5.019 9.833 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.988 -5.533 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.473 -6.932 9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.551 -7.445 5.607 1.00 0.00 H new ATOM 0 HH TYR A 98 8.073 -8.948 6.456 1.00 0.00 H new ATOM 1589 N LEU A 99 13.702 -4.803 7.559 1.00 0.00 N ATOM 1590 CA LEU A 99 14.682 -5.611 6.856 1.00 0.00 C ATOM 1591 C LEU A 99 16.065 -5.380 7.450 1.00 0.00 C ATOM 1592 O LEU A 99 16.585 -6.222 8.179 1.00 0.00 O ATOM 1593 CB LEU A 99 14.686 -5.278 5.363 1.00 0.00 C ATOM 1594 CG LEU A 99 13.390 -5.601 4.617 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.480 -5.150 3.166 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.087 -7.091 4.694 1.00 0.00 C ATOM 0 H LEU A 99 13.577 -3.866 7.176 1.00 0.00 H new ATOM 0 HA LEU A 99 14.415 -6.661 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.898 -4.215 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.504 -5.821 4.889 1.00 0.00 H new ATOM 0 HG LEU A 99 12.575 -5.058 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.549 -5.389 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.649 -4.074 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.307 -5.664 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.162 -7.302 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.905 -7.652 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.977 -7.387 5.737 1.00 0.00 H new ATOM 1608 N GLU A 100 16.643 -4.225 7.152 1.00 0.00 N ATOM 1609 CA GLU A 100 17.952 -3.870 7.673 1.00 0.00 C ATOM 1610 C GLU A 100 18.167 -2.364 7.601 1.00 0.00 C ATOM 1611 O GLU A 100 17.911 -1.738 6.570 1.00 0.00 O ATOM 1612 CB GLU A 100 19.052 -4.603 6.896 1.00 0.00 C ATOM 1613 CG GLU A 100 20.459 -4.201 7.305 1.00 0.00 C ATOM 1614 CD GLU A 100 21.502 -5.199 6.858 1.00 0.00 C ATOM 1615 OE1 GLU A 100 22.011 -5.075 5.726 1.00 0.00 O ATOM 1616 OE2 GLU A 100 21.823 -6.111 7.648 1.00 0.00 O ATOM 0 H GLU A 100 16.223 -3.517 6.550 1.00 0.00 H new ATOM 0 HA GLU A 100 18.001 -4.175 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 100 18.934 -5.677 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 100 18.923 -4.409 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.691 -3.224 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 100 20.502 -4.097 8.389 1.00 0.00 H new ATOM 1623 N HIS A 101 18.619 -1.784 8.702 1.00 0.00 N ATOM 1624 CA HIS A 101 18.909 -0.364 8.754 1.00 0.00 C ATOM 1625 C HIS A 101 20.380 -0.153 9.087 1.00 0.00 C ATOM 1626 O HIS A 101 20.744 0.037 10.246 1.00 0.00 O ATOM 1627 CB HIS A 101 18.021 0.340 9.793 1.00 0.00 C ATOM 1628 CG HIS A 101 18.098 1.842 9.762 1.00 0.00 C ATOM 1629 ND1 HIS A 101 16.984 2.652 9.755 1.00 0.00 N ATOM 1630 CD2 HIS A 101 19.163 2.682 9.754 1.00 0.00 C ATOM 1631 CE1 HIS A 101 17.359 3.919 9.741 1.00 0.00 C ATOM 1632 NE2 HIS A 101 18.678 3.964 9.738 1.00 0.00 N ATOM 0 H HIS A 101 18.793 -2.281 9.576 1.00 0.00 H new ATOM 0 HA HIS A 101 18.695 0.071 7.778 1.00 0.00 H new ATOM 0 HB2 HIS A 101 16.986 0.038 9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.303 -0.005 10.788 1.00 0.00 H new ATOM 0 HD1 HIS A 101 16.018 2.324 9.760 1.00 0.00 H new ATOM 0 HD2 HIS A 101 20.204 2.393 9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.698 4.773 9.733 1.00 0.00 H new ATOM 1641 N HIS A 102 21.227 -0.228 8.075 1.00 0.00 N ATOM 1642 CA HIS A 102 22.639 0.086 8.238 1.00 0.00 C ATOM 1643 C HIS A 102 23.005 1.234 7.319 1.00 0.00 C ATOM 1644 O HIS A 102 23.000 1.085 6.097 1.00 0.00 O ATOM 1645 CB HIS A 102 23.525 -1.135 7.961 1.00 0.00 C ATOM 1646 CG HIS A 102 23.492 -2.164 9.050 1.00 0.00 C ATOM 1647 ND1 HIS A 102 23.771 -3.494 8.838 1.00 0.00 N ATOM 1648 CD2 HIS A 102 23.217 -2.045 10.370 1.00 0.00 C ATOM 1649 CE1 HIS A 102 23.665 -4.152 9.977 1.00 0.00 C ATOM 1650 NE2 HIS A 102 23.330 -3.295 10.923 1.00 0.00 N ATOM 0 H HIS A 102 20.962 -0.504 7.129 1.00 0.00 H new ATOM 0 HA HIS A 102 22.813 0.379 9.273 1.00 0.00 H new ATOM 0 HB2 HIS A 102 23.208 -1.598 7.026 1.00 0.00 H new ATOM 0 HB3 HIS A 102 24.553 -0.802 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 102 22.957 -1.135 10.891 1.00 0.00 H new ATOM 0 HE1 HIS A 102 23.825 -5.211 10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 102 23.180 -3.525 11.905 1.00 0.00 H new ATOM 1659 N HIS A 103 23.291 2.380 7.921 1.00 0.00 N ATOM 1660 CA HIS A 103 23.516 3.618 7.184 1.00 0.00 C ATOM 1661 C HIS A 103 24.686 3.490 6.214 1.00 0.00 C ATOM 1662 O HIS A 103 24.524 3.726 5.015 1.00 0.00 O ATOM 1663 CB HIS A 103 23.762 4.769 8.164 1.00 0.00 C ATOM 1664 CG HIS A 103 23.600 6.130 7.560 1.00 0.00 C ATOM 1665 ND1 HIS A 103 24.531 7.138 7.698 1.00 0.00 N ATOM 1666 CD2 HIS A 103 22.582 6.658 6.840 1.00 0.00 C ATOM 1667 CE1 HIS A 103 24.088 8.225 7.093 1.00 0.00 C ATOM 1668 NE2 HIS A 103 22.909 7.960 6.561 1.00 0.00 N ATOM 0 H HIS A 103 23.374 2.479 8.933 1.00 0.00 H new ATOM 0 HA HIS A 103 22.623 3.828 6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 103 23.073 4.671 9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.771 4.680 8.567 1.00 0.00 H new ATOM 0 HD2 HIS A 103 21.679 6.147 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 103 24.604 9.172 7.042 1.00 0.00 H new ATOM 0 HE2 HIS A 103 22.336 8.616 6.030 1.00 0.00 H new ATOM 1677 N HIS A 104 25.859 3.119 6.738 1.00 0.00 N ATOM 1678 CA HIS A 104 27.066 2.973 5.918 1.00 0.00 C ATOM 1679 C HIS A 104 27.406 4.319 5.253 1.00 0.00 C ATOM 1680 O HIS A 104 26.872 5.355 5.660 1.00 0.00 O ATOM 1681 CB HIS A 104 26.842 1.860 4.875 1.00 0.00 C ATOM 1682 CG HIS A 104 28.076 1.405 4.154 1.00 0.00 C ATOM 1683 ND1 HIS A 104 28.256 1.571 2.796 1.00 0.00 N ATOM 1684 CD2 HIS A 104 29.191 0.780 4.604 1.00 0.00 C ATOM 1685 CE1 HIS A 104 29.426 1.072 2.444 1.00 0.00 C ATOM 1686 NE2 HIS A 104 30.009 0.586 3.520 1.00 0.00 N ATOM 0 H HIS A 104 25.998 2.914 7.727 1.00 0.00 H new ATOM 0 HA HIS A 104 27.914 2.687 6.541 1.00 0.00 H new ATOM 0 HB2 HIS A 104 26.394 1.001 5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 104 26.120 2.213 4.139 1.00 0.00 H new ATOM 0 HD2 HIS A 104 29.397 0.489 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 104 29.835 1.064 1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 104 30.924 0.136 3.544 1.00 0.00 H new ATOM 1695 N HIS A 105 28.318 4.307 4.277 1.00 0.00 N ATOM 1696 CA HIS A 105 28.635 5.488 3.471 1.00 0.00 C ATOM 1697 C HIS A 105 29.432 6.501 4.287 1.00 0.00 C ATOM 1698 O HIS A 105 28.942 7.041 5.279 1.00 0.00 O ATOM 1699 CB HIS A 105 27.341 6.121 2.923 1.00 0.00 C ATOM 1700 CG HIS A 105 27.538 7.127 1.828 1.00 0.00 C ATOM 1701 ND1 HIS A 105 26.713 7.196 0.730 1.00 0.00 N ATOM 1702 CD2 HIS A 105 28.439 8.128 1.679 1.00 0.00 C ATOM 1703 CE1 HIS A 105 27.096 8.191 -0.046 1.00 0.00 C ATOM 1704 NE2 HIS A 105 28.141 8.776 0.507 1.00 0.00 N ATOM 0 H HIS A 105 28.857 3.479 4.024 1.00 0.00 H new ATOM 0 HA HIS A 105 29.252 5.178 2.628 1.00 0.00 H new ATOM 0 HB2 HIS A 105 26.695 5.325 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 105 26.814 6.602 3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 105 29.243 8.371 2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 105 26.632 8.479 -0.978 1.00 0.00 H new ATOM 0 HE2 HIS A 105 28.644 9.577 0.126 1.00 0.00 H new ATOM 1713 N HIS A 106 30.667 6.747 3.871 1.00 0.00 N ATOM 1714 CA HIS A 106 31.513 7.728 4.540 1.00 0.00 C ATOM 1715 C HIS A 106 30.960 9.128 4.318 1.00 0.00 C ATOM 1716 O HIS A 106 30.326 9.665 5.242 1.00 0.00 O ATOM 1717 CB HIS A 106 32.956 7.644 4.031 1.00 0.00 C ATOM 1718 CG HIS A 106 33.891 8.596 4.717 1.00 0.00 C ATOM 1719 ND1 HIS A 106 34.559 9.605 4.057 1.00 0.00 N ATOM 1720 CD2 HIS A 106 34.272 8.685 6.014 1.00 0.00 C ATOM 1721 CE1 HIS A 106 35.306 10.271 4.915 1.00 0.00 C ATOM 1722 NE2 HIS A 106 35.150 9.736 6.110 1.00 0.00 N ATOM 1723 OXT HIS A 106 31.136 9.673 3.209 1.00 0.00 O ATOM 0 H HIS A 106 31.105 6.283 3.076 1.00 0.00 H new ATOM 0 HA HIS A 106 31.515 7.509 5.608 1.00 0.00 H new ATOM 0 HB2 HIS A 106 33.322 6.626 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 106 32.967 7.845 2.960 1.00 0.00 H new ATOM 0 HD2 HIS A 106 33.946 8.047 6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 106 35.939 11.113 4.679 1.00 0.00 H new ATOM 0 HE2 HIS A 106 35.607 10.051 6.966 1.00 0.00 H new TER 1732 HIS A 106