USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 29 THR OG1 : rot 88:sc= 1.14 USER MOD Set 1.2: A 43 TYR OH : rot 147:sc= -0.587 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 154:sc= -0.28 (180deg=-1.07) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -121:sc= -0.0105 (180deg=-0.62) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -176:sc= 0.225 (180deg=0) USER MOD Set 3.2: A 96 SER OG : rot 160:sc= 0.213 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -175:sc= 0 (180deg=-0.0232) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.259) USER MOD Single : A 24 CYS SG : rot 107:sc= -0.968! USER MOD Single : A 32 CYS SG : rot 85:sc= -0.31 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.177 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.928) USER MOD Single : A 42 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.2) USER MOD Single : A 45 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.24) USER MOD Single : A 48 ASN : amide:sc= 0.422 K(o=0.42,f=-6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -46:sc= 1.43 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 13:sc= 0.0045 USER MOD Single : A 61 SER OG : rot -84:sc= -0.203 USER MOD Single : A 68 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.4!) USER MOD Single : A 73 THR OG1 : rot 135:sc= -1.39 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 91 TYR OH : rot -177:sc= -1.45! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -17:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.836 8.601 -1.425 1.00 0.00 N ATOM 2 CA GLY A 1 -18.276 9.322 -2.601 1.00 0.00 C ATOM 3 C GLY A 1 -16.853 8.905 -2.917 1.00 0.00 C ATOM 4 O GLY A 1 -15.927 9.226 -2.175 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.810 8.923 -1.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.838 7.578 -1.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.252 8.798 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.907 9.136 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.303 10.395 -2.411 1.00 0.00 H new ATOM 10 N ILE A 2 -16.681 8.188 -4.023 1.00 0.00 N ATOM 11 CA ILE A 2 -15.362 7.725 -4.437 1.00 0.00 C ATOM 12 C ILE A 2 -15.044 8.180 -5.861 1.00 0.00 C ATOM 13 O ILE A 2 -15.306 7.463 -6.827 1.00 0.00 O ATOM 14 CB ILE A 2 -15.253 6.188 -4.349 1.00 0.00 C ATOM 15 CG1 ILE A 2 -13.840 5.725 -4.717 1.00 0.00 C ATOM 16 CG2 ILE A 2 -16.289 5.526 -5.248 1.00 0.00 C ATOM 17 CD1 ILE A 2 -12.991 5.365 -3.518 1.00 0.00 C ATOM 0 H ILE A 2 -17.439 7.915 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 2 -14.637 8.166 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.452 5.888 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.910 4.859 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.343 6.515 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -16.197 4.443 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -17.288 5.828 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -16.124 5.833 -6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.004 5.046 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -12.890 6.235 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -13.466 4.554 -2.966 1.00 0.00 H new ATOM 29 N PRO A 3 -14.468 9.387 -6.009 1.00 0.00 N ATOM 30 CA PRO A 3 -14.113 9.935 -7.322 1.00 0.00 C ATOM 31 C PRO A 3 -12.955 9.186 -7.969 1.00 0.00 C ATOM 32 O PRO A 3 -11.792 9.413 -7.633 1.00 0.00 O ATOM 33 CB PRO A 3 -13.710 11.378 -7.009 1.00 0.00 C ATOM 34 CG PRO A 3 -13.270 11.349 -5.585 1.00 0.00 C ATOM 35 CD PRO A 3 -14.119 10.307 -4.911 1.00 0.00 C ATOM 0 HA PRO A 3 -14.935 9.854 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.907 11.716 -7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -14.547 12.062 -7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.212 11.099 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.402 12.324 -5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.574 9.796 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.007 10.745 -4.456 1.00 0.00 H new ATOM 43 N GLU A 4 -13.278 8.295 -8.900 1.00 0.00 N ATOM 44 CA GLU A 4 -12.261 7.514 -9.594 1.00 0.00 C ATOM 45 C GLU A 4 -11.878 8.172 -10.915 1.00 0.00 C ATOM 46 O GLU A 4 -12.604 9.023 -11.429 1.00 0.00 O ATOM 47 CB GLU A 4 -12.764 6.091 -9.847 1.00 0.00 C ATOM 48 CG GLU A 4 -11.649 5.063 -9.944 1.00 0.00 C ATOM 49 CD GLU A 4 -10.751 5.062 -8.724 1.00 0.00 C ATOM 50 OE1 GLU A 4 -11.234 4.697 -7.631 1.00 0.00 O ATOM 51 OE2 GLU A 4 -9.563 5.425 -8.860 1.00 0.00 O ATOM 0 H GLU A 4 -14.235 8.096 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.376 7.471 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.442 5.805 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.342 6.077 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.084 4.072 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.050 5.265 -10.832 1.00 0.00 H new ATOM 58 N PHE A 5 -10.734 7.773 -11.460 1.00 0.00 N ATOM 59 CA PHE A 5 -10.256 8.324 -12.722 1.00 0.00 C ATOM 60 C PHE A 5 -10.406 7.307 -13.850 1.00 0.00 C ATOM 61 O PHE A 5 -9.622 7.295 -14.798 1.00 0.00 O ATOM 62 CB PHE A 5 -8.791 8.751 -12.591 1.00 0.00 C ATOM 63 CG PHE A 5 -8.613 10.231 -12.402 1.00 0.00 C ATOM 64 CD1 PHE A 5 -8.942 11.115 -13.418 1.00 0.00 C ATOM 65 CD2 PHE A 5 -8.118 10.736 -11.211 1.00 0.00 C ATOM 66 CE1 PHE A 5 -8.780 12.478 -13.247 1.00 0.00 C ATOM 67 CE2 PHE A 5 -7.954 12.097 -11.035 1.00 0.00 C ATOM 68 CZ PHE A 5 -8.286 12.968 -12.055 1.00 0.00 C ATOM 0 H PHE A 5 -10.121 7.070 -11.047 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.861 9.198 -12.964 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.343 8.228 -11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.249 8.439 -13.483 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.329 10.736 -14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.857 10.059 -10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.040 13.158 -14.045 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.567 12.479 -10.102 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.159 14.032 -11.920 1.00 0.00 H new ATOM 78 N LYS A 6 -11.420 6.456 -13.741 1.00 0.00 N ATOM 79 CA LYS A 6 -11.675 5.435 -14.751 1.00 0.00 C ATOM 80 C LYS A 6 -13.160 5.361 -15.087 1.00 0.00 C ATOM 81 O LYS A 6 -13.981 6.045 -14.476 1.00 0.00 O ATOM 82 CB LYS A 6 -11.182 4.072 -14.265 1.00 0.00 C ATOM 83 CG LYS A 6 -9.724 3.799 -14.595 1.00 0.00 C ATOM 84 CD LYS A 6 -9.248 2.493 -13.977 1.00 0.00 C ATOM 85 CE LYS A 6 -8.313 1.744 -14.911 1.00 0.00 C ATOM 86 NZ LYS A 6 -8.355 0.273 -14.677 1.00 0.00 N ATOM 0 H LYS A 6 -12.079 6.453 -12.963 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.130 5.710 -15.654 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.319 4.009 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.799 3.292 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.596 3.759 -15.677 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.107 4.621 -14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.737 2.699 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.108 1.866 -13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.587 1.955 -15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.294 2.105 -14.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.654 -0.196 -15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.135 0.074 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.305 -0.087 -14.901 1.00 0.00 H new ATOM 100 N GLN A 7 -13.497 4.527 -16.065 1.00 0.00 N ATOM 101 CA GLN A 7 -14.883 4.361 -16.485 1.00 0.00 C ATOM 102 C GLN A 7 -15.071 3.042 -17.228 1.00 0.00 C ATOM 103 O GLN A 7 -14.929 2.982 -18.451 1.00 0.00 O ATOM 104 CB GLN A 7 -15.312 5.532 -17.373 1.00 0.00 C ATOM 105 CG GLN A 7 -16.276 6.489 -16.692 1.00 0.00 C ATOM 106 CD GLN A 7 -17.003 7.383 -17.677 1.00 0.00 C ATOM 107 OE1 GLN A 7 -18.209 7.251 -17.879 1.00 0.00 O ATOM 108 NE2 GLN A 7 -16.267 8.299 -18.298 1.00 0.00 N ATOM 0 H GLN A 7 -12.829 3.955 -16.582 1.00 0.00 H new ATOM 0 HA GLN A 7 -15.510 4.345 -15.593 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.426 6.084 -17.686 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.779 5.140 -18.276 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -17.006 5.917 -16.119 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.727 7.108 -15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.269 8.372 -18.099 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.700 8.929 -18.974 1.00 0.00 H new ATOM 117 N LYS A 8 -15.388 1.989 -16.484 1.00 0.00 N ATOM 118 CA LYS A 8 -15.595 0.671 -17.071 1.00 0.00 C ATOM 119 C LYS A 8 -16.786 -0.031 -16.428 1.00 0.00 C ATOM 120 O LYS A 8 -17.798 -0.283 -17.083 1.00 0.00 O ATOM 121 CB LYS A 8 -14.336 -0.184 -16.910 1.00 0.00 C ATOM 122 CG LYS A 8 -14.241 -1.323 -17.915 1.00 0.00 C ATOM 123 CD LYS A 8 -12.861 -1.395 -18.547 1.00 0.00 C ATOM 124 CE LYS A 8 -12.845 -2.333 -19.743 1.00 0.00 C ATOM 125 NZ LYS A 8 -13.073 -1.608 -21.023 1.00 0.00 N ATOM 0 H LYS A 8 -15.507 2.023 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.805 0.802 -18.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.458 0.454 -17.012 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.314 -0.597 -15.902 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.465 -2.267 -17.418 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.992 -1.186 -18.693 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.551 -0.398 -18.861 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.138 -1.736 -17.806 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.887 -2.850 -19.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.614 -3.095 -19.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.054 -2.284 -21.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.999 -1.135 -20.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.325 -0.898 -21.158 1.00 0.00 H new ATOM 139 N ALA A 9 -16.659 -0.345 -15.144 1.00 0.00 N ATOM 140 CA ALA A 9 -17.726 -1.018 -14.412 1.00 0.00 C ATOM 141 C ALA A 9 -17.562 -0.830 -12.907 1.00 0.00 C ATOM 142 O ALA A 9 -16.575 -0.262 -12.446 1.00 0.00 O ATOM 143 CB ALA A 9 -17.751 -2.498 -14.761 1.00 0.00 C ATOM 0 H ALA A 9 -15.828 -0.144 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.675 -0.570 -14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.552 -2.989 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.923 -2.617 -15.831 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.796 -2.951 -14.495 1.00 0.00 H new ATOM 149 N LEU A 10 -18.541 -1.312 -12.147 1.00 0.00 N ATOM 150 CA LEU A 10 -18.507 -1.199 -10.694 1.00 0.00 C ATOM 151 C LEU A 10 -19.598 -2.053 -10.056 1.00 0.00 C ATOM 152 O LEU A 10 -20.738 -2.070 -10.520 1.00 0.00 O ATOM 153 CB LEU A 10 -18.675 0.262 -10.272 1.00 0.00 C ATOM 154 CG LEU A 10 -19.988 0.915 -10.707 1.00 0.00 C ATOM 155 CD1 LEU A 10 -20.410 1.981 -9.708 1.00 0.00 C ATOM 156 CD2 LEU A 10 -19.849 1.513 -12.100 1.00 0.00 C ATOM 0 H LEU A 10 -19.367 -1.784 -12.514 1.00 0.00 H new ATOM 0 HA LEU A 10 -17.539 -1.561 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.600 0.322 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.846 0.840 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 10 -20.761 0.148 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -21.346 2.435 -10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -20.549 1.526 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.638 2.748 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.792 1.973 -12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.063 2.268 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.593 0.726 -12.810 1.00 0.00 H new ATOM 168 N VAL A 11 -19.241 -2.760 -8.988 1.00 0.00 N ATOM 169 CA VAL A 11 -20.189 -3.617 -8.286 1.00 0.00 C ATOM 170 C VAL A 11 -20.421 -3.125 -6.860 1.00 0.00 C ATOM 171 O VAL A 11 -19.472 -2.863 -6.121 1.00 0.00 O ATOM 172 CB VAL A 11 -19.701 -5.078 -8.246 1.00 0.00 C ATOM 173 CG1 VAL A 11 -18.380 -5.184 -7.497 1.00 0.00 C ATOM 174 CG2 VAL A 11 -20.754 -5.978 -7.614 1.00 0.00 C ATOM 0 H VAL A 11 -18.302 -2.756 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.128 -3.573 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.538 -5.412 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.053 -6.224 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.628 -4.575 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -18.512 -4.829 -6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.391 -7.005 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -20.954 -5.645 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.673 -5.929 -8.198 1.00 0.00 H new ATOM 184 N ALA A 12 -21.690 -3.004 -6.480 1.00 0.00 N ATOM 185 CA ALA A 12 -22.048 -2.546 -5.143 1.00 0.00 C ATOM 186 C ALA A 12 -22.811 -3.623 -4.380 1.00 0.00 C ATOM 187 O ALA A 12 -24.036 -3.708 -4.467 1.00 0.00 O ATOM 188 CB ALA A 12 -22.871 -1.270 -5.226 1.00 0.00 C ATOM 0 H ALA A 12 -22.487 -3.217 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.128 -2.336 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.132 -0.939 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.290 -0.494 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.782 -1.461 -5.793 1.00 0.00 H new ATOM 194 N LYS A 13 -22.079 -4.442 -3.632 1.00 0.00 N ATOM 195 CA LYS A 13 -22.687 -5.514 -2.853 1.00 0.00 C ATOM 196 C LYS A 13 -22.174 -5.501 -1.416 1.00 0.00 C ATOM 197 O LYS A 13 -22.957 -5.530 -0.467 1.00 0.00 O ATOM 198 CB LYS A 13 -22.395 -6.869 -3.500 1.00 0.00 C ATOM 199 CG LYS A 13 -20.929 -7.073 -3.844 1.00 0.00 C ATOM 200 CD LYS A 13 -20.737 -8.249 -4.790 1.00 0.00 C ATOM 201 CE LYS A 13 -19.291 -8.718 -4.807 1.00 0.00 C ATOM 202 NZ LYS A 13 -19.162 -10.097 -5.357 1.00 0.00 N ATOM 0 H LYS A 13 -21.064 -4.384 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 13 -23.765 -5.352 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.715 -7.662 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.990 -6.965 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.532 -6.167 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -20.360 -7.243 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -21.384 -9.072 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -21.039 -7.961 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.693 -8.031 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.889 -8.692 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.161 -10.381 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.712 -10.757 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.523 -10.117 -6.332 1.00 0.00 H new ATOM 216 N VAL A 14 -20.855 -5.457 -1.266 1.00 0.00 N ATOM 217 CA VAL A 14 -20.236 -5.439 0.053 1.00 0.00 C ATOM 218 C VAL A 14 -19.015 -4.526 0.075 1.00 0.00 C ATOM 219 O VAL A 14 -18.287 -4.422 -0.912 1.00 0.00 O ATOM 220 CB VAL A 14 -19.812 -6.853 0.495 1.00 0.00 C ATOM 221 CG1 VAL A 14 -19.359 -6.844 1.946 1.00 0.00 C ATOM 222 CG2 VAL A 14 -20.952 -7.840 0.292 1.00 0.00 C ATOM 0 H VAL A 14 -20.194 -5.433 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.985 -5.058 0.748 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.972 -7.171 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.063 -7.851 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.510 -6.169 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.178 -6.506 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.634 -8.833 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.813 -7.528 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.227 -7.867 -0.762 1.00 0.00 H new ATOM 232 N SER A 15 -18.799 -3.864 1.207 1.00 0.00 N ATOM 233 CA SER A 15 -17.665 -2.959 1.357 1.00 0.00 C ATOM 234 C SER A 15 -16.355 -3.735 1.426 1.00 0.00 C ATOM 235 O SER A 15 -15.840 -4.009 2.510 1.00 0.00 O ATOM 236 CB SER A 15 -17.833 -2.105 2.615 1.00 0.00 C ATOM 237 OG SER A 15 -18.485 -0.882 2.318 1.00 0.00 O ATOM 0 H SER A 15 -19.393 -3.937 2.033 1.00 0.00 H new ATOM 0 HA SER A 15 -17.633 -2.307 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.409 -2.656 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.856 -1.903 3.054 1.00 0.00 H new ATOM 0 HG SER A 15 -18.582 -0.355 3.139 1.00 0.00 H new ATOM 243 N GLN A 16 -15.819 -4.087 0.260 1.00 0.00 N ATOM 244 CA GLN A 16 -14.567 -4.832 0.189 1.00 0.00 C ATOM 245 C GLN A 16 -13.372 -3.909 0.401 1.00 0.00 C ATOM 246 O GLN A 16 -12.341 -4.323 0.933 1.00 0.00 O ATOM 247 CB GLN A 16 -14.448 -5.539 -1.162 1.00 0.00 C ATOM 248 CG GLN A 16 -13.887 -6.950 -1.063 1.00 0.00 C ATOM 249 CD GLN A 16 -14.934 -8.015 -1.321 1.00 0.00 C ATOM 250 OE1 GLN A 16 -15.864 -8.191 -0.534 1.00 0.00 O ATOM 251 NE2 GLN A 16 -14.787 -8.732 -2.429 1.00 0.00 N ATOM 0 H GLN A 16 -16.232 -3.868 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.571 -5.579 0.983 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.432 -5.580 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.808 -4.948 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.074 -7.064 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.461 -7.098 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.000 -8.551 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.461 -9.463 -2.656 1.00 0.00 H new ATOM 260 N ARG A 17 -13.515 -2.656 -0.021 1.00 0.00 N ATOM 261 CA ARG A 17 -12.445 -1.675 0.121 1.00 0.00 C ATOM 262 C ARG A 17 -12.138 -1.411 1.592 1.00 0.00 C ATOM 263 O ARG A 17 -11.007 -1.080 1.949 1.00 0.00 O ATOM 264 CB ARG A 17 -12.831 -0.368 -0.573 1.00 0.00 C ATOM 265 CG ARG A 17 -13.324 -0.558 -1.998 1.00 0.00 C ATOM 266 CD ARG A 17 -13.210 0.727 -2.803 1.00 0.00 C ATOM 267 NE ARG A 17 -13.942 0.649 -4.065 1.00 0.00 N ATOM 268 CZ ARG A 17 -13.487 0.027 -5.149 1.00 0.00 C ATOM 269 NH1 ARG A 17 -12.303 -0.574 -5.131 1.00 0.00 N ATOM 270 NH2 ARG A 17 -14.216 0.006 -6.256 1.00 0.00 N ATOM 0 H ARG A 17 -14.361 -2.297 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.550 -2.080 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.609 0.126 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.968 0.298 -0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.745 -1.345 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.362 -0.889 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.593 1.560 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.160 0.936 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.856 1.098 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.737 -0.560 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.960 -1.049 -5.966 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.126 0.467 -6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.867 -0.471 -7.087 1.00 0.00 H new ATOM 284 N GLU A 18 -13.149 -1.560 2.441 1.00 0.00 N ATOM 285 CA GLU A 18 -12.984 -1.336 3.873 1.00 0.00 C ATOM 286 C GLU A 18 -11.940 -2.285 4.455 1.00 0.00 C ATOM 287 O GLU A 18 -10.928 -1.847 5.004 1.00 0.00 O ATOM 288 CB GLU A 18 -14.319 -1.525 4.596 1.00 0.00 C ATOM 289 CG GLU A 18 -14.521 -0.567 5.759 1.00 0.00 C ATOM 290 CD GLU A 18 -15.735 -0.917 6.597 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.653 -1.576 6.066 1.00 0.00 O ATOM 292 OE2 GLU A 18 -15.768 -0.531 7.785 1.00 0.00 O ATOM 0 H GLU A 18 -14.091 -1.835 2.163 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.640 -0.312 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.132 -1.393 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.382 -2.549 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.633 -0.576 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.629 0.447 5.375 1.00 0.00 H new ATOM 299 N GLU A 19 -12.193 -3.582 4.331 1.00 0.00 N ATOM 300 CA GLU A 19 -11.276 -4.593 4.846 1.00 0.00 C ATOM 301 C GLU A 19 -9.936 -4.543 4.114 1.00 0.00 C ATOM 302 O GLU A 19 -8.917 -4.992 4.637 1.00 0.00 O ATOM 303 CB GLU A 19 -11.894 -5.986 4.713 1.00 0.00 C ATOM 304 CG GLU A 19 -11.785 -6.821 5.978 1.00 0.00 C ATOM 305 CD GLU A 19 -10.821 -7.982 5.830 1.00 0.00 C ATOM 306 OE1 GLU A 19 -11.118 -8.906 5.044 1.00 0.00 O ATOM 307 OE2 GLU A 19 -9.768 -7.968 6.503 1.00 0.00 O ATOM 0 H GLU A 19 -13.026 -3.959 3.878 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.098 -4.381 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.945 -5.884 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.405 -6.515 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.459 -6.185 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.771 -7.204 6.242 1.00 0.00 H new ATOM 314 N MET A 20 -9.945 -3.999 2.901 1.00 0.00 N ATOM 315 CA MET A 20 -8.730 -3.897 2.099 1.00 0.00 C ATOM 316 C MET A 20 -7.696 -2.998 2.772 1.00 0.00 C ATOM 317 O MET A 20 -6.600 -3.446 3.110 1.00 0.00 O ATOM 318 CB MET A 20 -9.059 -3.359 0.706 1.00 0.00 C ATOM 319 CG MET A 20 -9.609 -4.413 -0.240 1.00 0.00 C ATOM 320 SD MET A 20 -8.503 -4.756 -1.625 1.00 0.00 S ATOM 321 CE MET A 20 -7.208 -5.679 -0.803 1.00 0.00 C ATOM 0 H MET A 20 -10.780 -3.622 2.452 1.00 0.00 H new ATOM 0 HA MET A 20 -8.305 -4.897 2.008 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.786 -2.552 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.158 -2.927 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.787 -5.335 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.573 -4.082 -0.625 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.405 -5.887 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.817 -5.094 0.030 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.613 -6.619 -0.428 1.00 0.00 H new ATOM 331 N VAL A 21 -8.047 -1.730 2.962 1.00 0.00 N ATOM 332 CA VAL A 21 -7.141 -0.775 3.591 1.00 0.00 C ATOM 333 C VAL A 21 -6.679 -1.266 4.957 1.00 0.00 C ATOM 334 O VAL A 21 -5.515 -1.108 5.325 1.00 0.00 O ATOM 335 CB VAL A 21 -7.789 0.617 3.740 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.347 1.087 2.409 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.879 0.607 4.803 1.00 0.00 C ATOM 0 H VAL A 21 -8.950 -1.341 2.690 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.277 -0.688 2.932 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.016 1.315 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.801 2.071 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.541 1.148 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.101 0.381 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.317 1.602 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.653 -0.108 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.449 0.320 5.763 1.00 0.00 H new ATOM 347 N LYS A 22 -7.597 -1.865 5.706 1.00 0.00 N ATOM 348 CA LYS A 22 -7.274 -2.377 7.030 1.00 0.00 C ATOM 349 C LYS A 22 -6.226 -3.483 6.938 1.00 0.00 C ATOM 350 O LYS A 22 -5.248 -3.493 7.688 1.00 0.00 O ATOM 351 CB LYS A 22 -8.533 -2.903 7.720 1.00 0.00 C ATOM 352 CG LYS A 22 -9.645 -1.871 7.821 1.00 0.00 C ATOM 353 CD LYS A 22 -9.337 -0.822 8.879 1.00 0.00 C ATOM 354 CE LYS A 22 -10.536 0.075 9.142 1.00 0.00 C ATOM 355 NZ LYS A 22 -11.193 0.511 7.879 1.00 0.00 N ATOM 0 H LYS A 22 -8.566 -2.007 5.420 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.864 -1.558 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.902 -3.771 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.273 -3.245 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.781 -1.386 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.584 -2.369 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.040 -1.314 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.492 -0.215 8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.258 -0.457 9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.217 0.951 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.832 1.307 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.468 0.810 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.738 -0.280 7.480 1.00 0.00 H new ATOM 369 N LYS A 23 -6.438 -4.412 6.010 1.00 0.00 N ATOM 370 CA LYS A 23 -5.511 -5.520 5.813 1.00 0.00 C ATOM 371 C LYS A 23 -4.122 -5.005 5.449 1.00 0.00 C ATOM 372 O LYS A 23 -3.115 -5.646 5.747 1.00 0.00 O ATOM 373 CB LYS A 23 -6.028 -6.454 4.714 1.00 0.00 C ATOM 374 CG LYS A 23 -6.053 -7.919 5.123 1.00 0.00 C ATOM 375 CD LYS A 23 -4.892 -8.689 4.514 1.00 0.00 C ATOM 376 CE LYS A 23 -5.208 -9.143 3.098 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.840 -8.113 2.087 1.00 0.00 N ATOM 0 H LYS A 23 -7.243 -4.419 5.384 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.440 -6.076 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.035 -6.147 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.401 -6.343 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.011 -7.995 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.994 -8.369 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.001 -8.061 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.664 -9.557 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.671 -10.068 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.272 -9.366 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.647 -8.575 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.625 -7.440 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.990 -7.604 2.404 1.00 0.00 H new ATOM 391 N CYS A 24 -4.078 -3.845 4.803 1.00 0.00 N ATOM 392 CA CYS A 24 -2.813 -3.242 4.399 1.00 0.00 C ATOM 393 C CYS A 24 -1.999 -2.822 5.618 1.00 0.00 C ATOM 394 O CYS A 24 -0.780 -2.990 5.650 1.00 0.00 O ATOM 395 CB CYS A 24 -3.068 -2.037 3.490 1.00 0.00 C ATOM 396 SG CYS A 24 -1.579 -1.104 3.052 1.00 0.00 S ATOM 0 H CYS A 24 -4.904 -3.303 4.548 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.240 -3.986 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.548 -2.383 2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.770 -1.366 3.985 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.277 -1.328 1.808 1.00 0.00 H new ATOM 402 N LEU A 25 -2.679 -2.277 6.621 1.00 0.00 N ATOM 403 CA LEU A 25 -2.013 -1.838 7.840 1.00 0.00 C ATOM 404 C LEU A 25 -1.339 -3.011 8.540 1.00 0.00 C ATOM 405 O LEU A 25 -0.250 -2.873 9.096 1.00 0.00 O ATOM 406 CB LEU A 25 -3.013 -1.170 8.784 1.00 0.00 C ATOM 407 CG LEU A 25 -2.398 -0.169 9.765 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.226 1.105 9.823 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.269 -0.790 11.147 1.00 0.00 C ATOM 0 H LEU A 25 -3.688 -2.129 6.613 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.248 -1.112 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.767 -0.657 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.528 -1.944 9.352 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.401 0.091 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.771 1.803 10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.263 1.560 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.238 0.867 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.830 -0.065 11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.255 -1.080 11.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.629 -1.671 11.092 1.00 0.00 H new ATOM 421 N GLY A 26 -1.994 -4.169 8.509 1.00 0.00 N ATOM 422 CA GLY A 26 -1.440 -5.350 9.146 1.00 0.00 C ATOM 423 C GLY A 26 -0.331 -5.987 8.328 1.00 0.00 C ATOM 424 O GLY A 26 0.720 -6.340 8.864 1.00 0.00 O ATOM 0 H GLY A 26 -2.896 -4.310 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.053 -5.081 10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.234 -6.079 9.305 1.00 0.00 H new ATOM 428 N GLU A 27 -0.568 -6.136 7.029 1.00 0.00 N ATOM 429 CA GLU A 27 0.418 -6.738 6.137 1.00 0.00 C ATOM 430 C GLU A 27 1.714 -5.934 6.131 1.00 0.00 C ATOM 431 O GLU A 27 2.799 -6.485 6.316 1.00 0.00 O ATOM 432 CB GLU A 27 -0.142 -6.831 4.716 1.00 0.00 C ATOM 433 CG GLU A 27 -1.154 -7.952 4.534 1.00 0.00 C ATOM 434 CD GLU A 27 -0.696 -8.995 3.532 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.524 -9.246 3.451 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.560 -9.561 2.829 1.00 0.00 O ATOM 0 H GLU A 27 -1.433 -5.849 6.570 1.00 0.00 H new ATOM 0 HA GLU A 27 0.637 -7.741 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.612 -5.882 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.682 -6.980 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.335 -8.432 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.103 -7.529 4.205 1.00 0.00 H new ATOM 443 N LEU A 28 1.595 -4.628 5.916 1.00 0.00 N ATOM 444 CA LEU A 28 2.759 -3.751 5.884 1.00 0.00 C ATOM 445 C LEU A 28 3.527 -3.807 7.199 1.00 0.00 C ATOM 446 O LEU A 28 4.737 -3.591 7.228 1.00 0.00 O ATOM 447 CB LEU A 28 2.339 -2.312 5.581 1.00 0.00 C ATOM 448 CG LEU A 28 2.204 -1.981 4.094 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.770 -0.536 3.907 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.516 -2.243 3.366 1.00 0.00 C ATOM 0 H LEU A 28 0.705 -4.154 5.762 1.00 0.00 H new ATOM 0 HA LEU A 28 3.418 -4.101 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.385 -2.117 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.069 -1.635 6.024 1.00 0.00 H new ATOM 0 HG LEU A 28 1.439 -2.629 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.679 -0.318 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.807 -0.380 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.512 0.127 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.400 -2.002 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.301 -1.621 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.787 -3.294 3.471 1.00 0.00 H new ATOM 462 N THR A 29 2.823 -4.102 8.287 1.00 0.00 N ATOM 463 CA THR A 29 3.458 -4.189 9.598 1.00 0.00 C ATOM 464 C THR A 29 4.470 -5.329 9.623 1.00 0.00 C ATOM 465 O THR A 29 5.535 -5.215 10.228 1.00 0.00 O ATOM 466 CB THR A 29 2.406 -4.392 10.692 1.00 0.00 C ATOM 467 OG1 THR A 29 1.523 -3.288 10.748 1.00 0.00 O ATOM 468 CG2 THR A 29 3.002 -4.571 12.073 1.00 0.00 C ATOM 0 H THR A 29 1.819 -4.284 8.288 1.00 0.00 H new ATOM 0 HA THR A 29 3.981 -3.252 9.789 1.00 0.00 H new ATOM 0 HB THR A 29 1.880 -5.307 10.419 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.782 -3.430 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.201 -4.710 12.800 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.652 -5.446 12.078 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.582 -3.686 12.337 1.00 0.00 H new ATOM 476 N GLU A 30 4.129 -6.429 8.958 1.00 0.00 N ATOM 477 CA GLU A 30 5.010 -7.590 8.900 1.00 0.00 C ATOM 478 C GLU A 30 6.293 -7.260 8.144 1.00 0.00 C ATOM 479 O GLU A 30 7.393 -7.381 8.684 1.00 0.00 O ATOM 480 CB GLU A 30 4.295 -8.768 8.233 1.00 0.00 C ATOM 481 CG GLU A 30 4.169 -9.990 9.130 1.00 0.00 C ATOM 482 CD GLU A 30 5.276 -10.999 8.897 1.00 0.00 C ATOM 483 OE1 GLU A 30 5.155 -11.804 7.950 1.00 0.00 O ATOM 484 OE2 GLU A 30 6.263 -10.986 9.662 1.00 0.00 O ATOM 0 H GLU A 30 3.250 -6.540 8.453 1.00 0.00 H new ATOM 0 HA GLU A 30 5.273 -7.868 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.299 -8.450 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.836 -9.046 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.184 -9.674 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.205 -10.467 8.955 1.00 0.00 H new ATOM 491 N VAL A 31 6.147 -6.837 6.890 1.00 0.00 N ATOM 492 CA VAL A 31 7.296 -6.486 6.062 1.00 0.00 C ATOM 493 C VAL A 31 8.129 -5.391 6.723 1.00 0.00 C ATOM 494 O VAL A 31 9.350 -5.350 6.574 1.00 0.00 O ATOM 495 CB VAL A 31 6.856 -6.022 4.660 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.758 -4.982 4.771 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.038 -5.480 3.864 1.00 0.00 C ATOM 0 H VAL A 31 5.245 -6.729 6.426 1.00 0.00 H new ATOM 0 HA VAL A 31 7.905 -7.384 5.957 1.00 0.00 H new ATOM 0 HB VAL A 31 6.463 -6.885 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.457 -4.663 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.901 -5.412 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.126 -4.122 5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.697 -5.160 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.473 -4.631 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.790 -6.261 3.752 1.00 0.00 H new ATOM 507 N CYS A 32 7.459 -4.507 7.456 1.00 0.00 N ATOM 508 CA CYS A 32 8.136 -3.414 8.142 1.00 0.00 C ATOM 509 C CYS A 32 9.154 -3.953 9.142 1.00 0.00 C ATOM 510 O CYS A 32 10.286 -3.476 9.212 1.00 0.00 O ATOM 511 CB CYS A 32 7.119 -2.527 8.861 1.00 0.00 C ATOM 512 SG CYS A 32 6.384 -1.249 7.813 1.00 0.00 S ATOM 0 H CYS A 32 6.448 -4.527 7.590 1.00 0.00 H new ATOM 0 HA CYS A 32 8.662 -2.818 7.396 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.324 -3.155 9.261 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.606 -2.049 9.711 1.00 0.00 H new ATOM 0 HG CYS A 32 5.375 -1.748 7.163 1.00 0.00 H new ATOM 518 N LYS A 33 8.743 -4.955 9.915 1.00 0.00 N ATOM 519 CA LYS A 33 9.617 -5.565 10.911 1.00 0.00 C ATOM 520 C LYS A 33 10.760 -6.317 10.239 1.00 0.00 C ATOM 521 O LYS A 33 11.915 -6.213 10.656 1.00 0.00 O ATOM 522 CB LYS A 33 8.824 -6.517 11.807 1.00 0.00 C ATOM 523 CG LYS A 33 7.487 -5.957 12.265 1.00 0.00 C ATOM 524 CD LYS A 33 7.238 -6.238 13.737 1.00 0.00 C ATOM 525 CE LYS A 33 6.202 -5.291 14.319 1.00 0.00 C ATOM 526 NZ LYS A 33 6.469 -4.991 15.753 1.00 0.00 N ATOM 0 H LYS A 33 7.809 -5.362 9.870 1.00 0.00 H new ATOM 0 HA LYS A 33 10.037 -4.768 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.652 -7.449 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.425 -6.761 12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.463 -4.881 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.685 -6.394 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.901 -7.267 13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.172 -6.141 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.198 -4.362 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.210 -5.732 14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.742 -5.443 16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.406 -5.358 16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.446 -3.962 15.903 1.00 0.00 H new ATOM 540 N SER A 34 10.432 -7.075 9.197 1.00 0.00 N ATOM 541 CA SER A 34 11.431 -7.848 8.466 1.00 0.00 C ATOM 542 C SER A 34 12.543 -6.942 7.947 1.00 0.00 C ATOM 543 O SER A 34 13.704 -7.347 7.877 1.00 0.00 O ATOM 544 CB SER A 34 10.777 -8.591 7.300 1.00 0.00 C ATOM 545 OG SER A 34 9.587 -9.240 7.712 1.00 0.00 O ATOM 0 H SER A 34 9.481 -7.171 8.840 1.00 0.00 H new ATOM 0 HA SER A 34 11.867 -8.575 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.553 -7.889 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.474 -9.325 6.896 1.00 0.00 H new ATOM 0 HG SER A 34 9.187 -9.706 6.948 1.00 0.00 H new ATOM 551 N LEU A 35 12.181 -5.718 7.583 1.00 0.00 N ATOM 552 CA LEU A 35 13.147 -4.753 7.073 1.00 0.00 C ATOM 553 C LEU A 35 13.955 -4.139 8.210 1.00 0.00 C ATOM 554 O LEU A 35 15.110 -3.755 8.029 1.00 0.00 O ATOM 555 CB LEU A 35 12.434 -3.650 6.288 1.00 0.00 C ATOM 556 CG LEU A 35 11.842 -4.082 4.945 1.00 0.00 C ATOM 557 CD1 LEU A 35 10.985 -2.969 4.360 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.950 -4.472 3.975 1.00 0.00 C ATOM 0 H LEU A 35 11.224 -5.370 7.632 1.00 0.00 H new ATOM 0 HA LEU A 35 13.830 -5.280 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.633 -3.246 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.140 -2.838 6.111 1.00 0.00 H new ATOM 0 HG LEU A 35 11.208 -4.953 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.571 -3.292 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.172 -2.736 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.597 -2.080 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.511 -4.777 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.609 -3.619 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.524 -5.300 4.392 1.00 0.00 H new ATOM 570 N GLY A 36 13.336 -4.044 9.383 1.00 0.00 N ATOM 571 CA GLY A 36 14.011 -3.472 10.533 1.00 0.00 C ATOM 572 C GLY A 36 15.017 -4.419 11.155 1.00 0.00 C ATOM 573 O GLY A 36 15.987 -3.985 11.775 1.00 0.00 O ATOM 0 H GLY A 36 12.380 -4.353 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.519 -2.556 10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.270 -3.193 11.282 1.00 0.00 H new ATOM 577 N LYS A 37 14.788 -5.717 10.990 1.00 0.00 N ATOM 578 CA LYS A 37 15.683 -6.726 11.542 1.00 0.00 C ATOM 579 C LYS A 37 16.952 -6.854 10.703 1.00 0.00 C ATOM 580 O LYS A 37 17.993 -7.281 11.199 1.00 0.00 O ATOM 581 CB LYS A 37 14.973 -8.080 11.622 1.00 0.00 C ATOM 582 CG LYS A 37 14.335 -8.512 10.312 1.00 0.00 C ATOM 583 CD LYS A 37 13.901 -9.968 10.360 1.00 0.00 C ATOM 584 CE LYS A 37 13.700 -10.536 8.964 1.00 0.00 C ATOM 585 NZ LYS A 37 14.989 -10.945 8.340 1.00 0.00 N ATOM 0 H LYS A 37 13.990 -6.095 10.479 1.00 0.00 H new ATOM 0 HA LYS A 37 15.966 -6.410 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.690 -8.839 11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.204 -8.032 12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.472 -7.880 10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.043 -8.369 9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.652 -10.555 10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.973 -10.054 10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.032 -11.396 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.213 -9.791 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.935 -10.807 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.761 -10.366 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.172 -11.948 8.546 1.00 0.00 H new ATOM 599 N VAL A 38 16.857 -6.485 9.429 1.00 0.00 N ATOM 600 CA VAL A 38 17.998 -6.562 8.524 1.00 0.00 C ATOM 601 C VAL A 38 18.777 -5.252 8.494 1.00 0.00 C ATOM 602 O VAL A 38 19.989 -5.246 8.284 1.00 0.00 O ATOM 603 CB VAL A 38 17.556 -6.914 7.095 1.00 0.00 C ATOM 604 CG1 VAL A 38 17.103 -8.364 7.015 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.455 -5.977 6.638 1.00 0.00 C ATOM 0 H VAL A 38 16.002 -6.130 9.001 1.00 0.00 H new ATOM 0 HA VAL A 38 18.645 -7.352 8.905 1.00 0.00 H new ATOM 0 HB VAL A 38 18.409 -6.791 6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.794 -8.593 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.926 -9.019 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.263 -8.521 7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 38 16.152 -6.239 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.599 -6.067 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.821 -4.950 6.654 1.00 0.00 H new ATOM 615 N PHE A 39 18.075 -4.142 8.700 1.00 0.00 N ATOM 616 CA PHE A 39 18.708 -2.827 8.689 1.00 0.00 C ATOM 617 C PHE A 39 19.081 -2.376 10.101 1.00 0.00 C ATOM 618 O PHE A 39 19.325 -1.193 10.338 1.00 0.00 O ATOM 619 CB PHE A 39 17.781 -1.800 8.038 1.00 0.00 C ATOM 620 CG PHE A 39 17.875 -1.778 6.539 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.985 -1.239 5.910 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.854 -2.298 5.760 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.076 -1.219 4.531 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.939 -2.281 4.381 1.00 0.00 C ATOM 625 CZ PHE A 39 18.051 -1.741 3.765 1.00 0.00 C ATOM 0 H PHE A 39 17.070 -4.126 8.876 1.00 0.00 H new ATOM 0 HA PHE A 39 19.626 -2.903 8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.752 -2.015 8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.020 -0.809 8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.789 -0.830 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.982 -2.721 6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.947 -0.796 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.136 -2.690 3.785 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.119 -1.727 2.687 1.00 0.00 H new ATOM 635 N GLY A 40 19.129 -3.324 11.033 1.00 0.00 N ATOM 636 CA GLY A 40 19.482 -3.004 12.407 1.00 0.00 C ATOM 637 C GLY A 40 18.681 -1.845 12.973 1.00 0.00 C ATOM 638 O GLY A 40 19.236 -0.963 13.628 1.00 0.00 O ATOM 0 H GLY A 40 18.930 -4.310 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.326 -3.884 13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.544 -2.763 12.456 1.00 0.00 H new ATOM 642 N VAL A 41 17.375 -1.849 12.729 1.00 0.00 N ATOM 643 CA VAL A 41 16.504 -0.793 13.229 1.00 0.00 C ATOM 644 C VAL A 41 15.232 -1.374 13.839 1.00 0.00 C ATOM 645 O VAL A 41 14.982 -2.575 13.743 1.00 0.00 O ATOM 646 CB VAL A 41 16.124 0.208 12.120 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.299 1.115 11.793 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.646 -0.524 10.875 1.00 0.00 C ATOM 0 H VAL A 41 16.897 -2.571 12.189 1.00 0.00 H new ATOM 0 HA VAL A 41 17.065 -0.263 13.999 1.00 0.00 H new ATOM 0 HB VAL A 41 15.305 0.828 12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.011 1.814 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.590 1.670 12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.140 0.512 11.451 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.383 0.201 10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.441 -1.172 10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.771 -1.126 11.120 1.00 0.00 H new ATOM 658 N HIS A 42 14.436 -0.518 14.471 1.00 0.00 N ATOM 659 CA HIS A 42 13.196 -0.952 15.103 1.00 0.00 C ATOM 660 C HIS A 42 12.007 -0.794 14.160 1.00 0.00 C ATOM 661 O HIS A 42 12.074 -0.064 13.171 1.00 0.00 O ATOM 662 CB HIS A 42 12.950 -0.158 16.386 1.00 0.00 C ATOM 663 CG HIS A 42 13.569 -0.776 17.600 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.583 -1.710 17.536 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.316 -0.591 18.918 1.00 0.00 C ATOM 666 CE1 HIS A 42 14.925 -2.073 18.759 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.171 -1.408 19.615 1.00 0.00 N ATOM 0 H HIS A 42 14.628 0.480 14.559 1.00 0.00 H new ATOM 0 HA HIS A 42 13.299 -2.009 15.347 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.344 0.850 16.261 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.876 -0.063 16.544 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.579 0.075 19.341 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.690 -2.791 19.015 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.217 -1.488 20.631 1.00 0.00 H new ATOM 676 N TYR A 43 10.917 -1.485 14.480 1.00 0.00 N ATOM 677 CA TYR A 43 9.702 -1.428 13.673 1.00 0.00 C ATOM 678 C TYR A 43 9.202 0.009 13.537 1.00 0.00 C ATOM 679 O TYR A 43 8.480 0.336 12.595 1.00 0.00 O ATOM 680 CB TYR A 43 8.616 -2.310 14.303 1.00 0.00 C ATOM 681 CG TYR A 43 7.234 -2.103 13.723 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.019 -2.148 12.351 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.143 -1.864 14.550 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.756 -1.959 11.821 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.877 -1.676 14.027 1.00 0.00 C ATOM 686 CZ TYR A 43 4.690 -1.724 12.662 1.00 0.00 C ATOM 687 OH TYR A 43 3.433 -1.537 12.138 1.00 0.00 O ATOM 0 H TYR A 43 10.850 -2.093 15.296 1.00 0.00 H new ATOM 0 HA TYR A 43 9.933 -1.801 12.675 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.897 -3.356 14.179 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.581 -2.114 15.375 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.851 -2.333 11.688 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.287 -1.824 15.620 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.606 -1.995 10.752 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.040 -1.493 14.684 1.00 0.00 H new ATOM 0 HH TYR A 43 2.764 -1.897 12.757 1.00 0.00 H new ATOM 697 N PHE A 44 9.592 0.862 14.479 1.00 0.00 N ATOM 698 CA PHE A 44 9.180 2.260 14.459 1.00 0.00 C ATOM 699 C PHE A 44 10.191 3.127 13.709 1.00 0.00 C ATOM 700 O PHE A 44 10.169 4.353 13.815 1.00 0.00 O ATOM 701 CB PHE A 44 9.006 2.782 15.887 1.00 0.00 C ATOM 702 CG PHE A 44 7.657 2.480 16.476 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.499 2.871 15.824 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.549 1.808 17.684 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.257 2.594 16.364 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.310 1.528 18.227 1.00 0.00 C ATOM 707 CZ PHE A 44 5.163 1.922 17.568 1.00 0.00 C ATOM 0 H PHE A 44 10.192 0.610 15.264 1.00 0.00 H new ATOM 0 HA PHE A 44 8.226 2.318 13.935 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.777 2.345 16.522 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.163 3.861 15.893 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.567 3.398 14.884 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.443 1.500 18.206 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.361 2.902 15.846 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.239 1.001 19.167 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.194 1.706 17.992 1.00 0.00 H new ATOM 717 N ASN A 45 11.077 2.486 12.949 1.00 0.00 N ATOM 718 CA ASN A 45 12.089 3.203 12.186 1.00 0.00 C ATOM 719 C ASN A 45 11.728 3.232 10.703 1.00 0.00 C ATOM 720 O ASN A 45 12.063 4.178 9.990 1.00 0.00 O ATOM 721 CB ASN A 45 13.460 2.552 12.379 1.00 0.00 C ATOM 722 CG ASN A 45 14.550 3.570 12.649 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.549 4.665 12.087 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.491 3.213 13.516 1.00 0.00 N ATOM 0 H ASN A 45 11.112 1.472 12.847 1.00 0.00 H new ATOM 0 HA ASN A 45 12.129 4.229 12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.411 1.847 13.209 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.715 1.978 11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.250 3.857 13.738 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.454 2.295 13.960 1.00 0.00 H new ATOM 731 N ILE A 46 11.042 2.190 10.246 1.00 0.00 N ATOM 732 CA ILE A 46 10.633 2.094 8.851 1.00 0.00 C ATOM 733 C ILE A 46 9.550 3.114 8.526 1.00 0.00 C ATOM 734 O ILE A 46 9.775 4.050 7.758 1.00 0.00 O ATOM 735 CB ILE A 46 10.111 0.684 8.514 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.093 -0.381 9.009 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.879 0.546 7.016 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.498 -0.206 8.475 1.00 0.00 C ATOM 0 H ILE A 46 10.757 1.399 10.823 1.00 0.00 H new ATOM 0 HA ILE A 46 11.517 2.300 8.247 1.00 0.00 H new ATOM 0 HB ILE A 46 9.158 0.536 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.122 -0.358 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.724 -1.365 8.721 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.510 -0.456 6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.144 1.283 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.817 0.712 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.138 -0.996 8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.483 -0.259 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.887 0.764 8.785 1.00 0.00 H new ATOM 750 N PHE A 47 8.374 2.929 9.115 1.00 0.00 N ATOM 751 CA PHE A 47 7.253 3.835 8.890 1.00 0.00 C ATOM 752 C PHE A 47 6.584 4.207 10.210 1.00 0.00 C ATOM 753 O PHE A 47 6.715 3.498 11.207 1.00 0.00 O ATOM 754 CB PHE A 47 6.229 3.192 7.950 1.00 0.00 C ATOM 755 CG PHE A 47 6.675 3.099 6.514 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.596 3.997 5.989 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.167 2.110 5.687 1.00 0.00 C ATOM 758 CE1 PHE A 47 7.999 3.904 4.670 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.567 2.013 4.368 1.00 0.00 C ATOM 760 CZ PHE A 47 7.485 2.912 3.859 1.00 0.00 C ATOM 0 H PHE A 47 8.172 2.159 9.753 1.00 0.00 H new ATOM 0 HA PHE A 47 7.639 4.744 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.000 2.190 8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.303 3.766 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.001 4.776 6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.449 1.405 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.716 4.608 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.163 1.236 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.800 2.839 2.828 1.00 0.00 H new ATOM 770 N ASN A 48 5.865 5.326 10.207 1.00 0.00 N ATOM 771 CA ASN A 48 5.173 5.794 11.402 1.00 0.00 C ATOM 772 C ASN A 48 3.720 5.334 11.406 1.00 0.00 C ATOM 773 O ASN A 48 3.194 4.898 10.382 1.00 0.00 O ATOM 774 CB ASN A 48 5.238 7.320 11.489 1.00 0.00 C ATOM 775 CG ASN A 48 5.398 7.813 12.913 1.00 0.00 C ATOM 776 OD1 ASN A 48 4.791 7.276 13.840 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.221 8.841 13.095 1.00 0.00 N ATOM 0 H ASN A 48 5.747 5.925 9.390 1.00 0.00 H new ATOM 0 HA ASN A 48 5.672 5.366 12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.073 7.680 10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.330 7.744 11.061 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.370 9.215 14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.704 9.255 12.298 1.00 0.00 H new ATOM 784 N THR A 49 3.074 5.434 12.564 1.00 0.00 N ATOM 785 CA THR A 49 1.678 5.029 12.703 1.00 0.00 C ATOM 786 C THR A 49 0.808 5.690 11.637 1.00 0.00 C ATOM 787 O THR A 49 -0.013 5.035 10.996 1.00 0.00 O ATOM 788 CB THR A 49 1.158 5.387 14.096 1.00 0.00 C ATOM 789 OG1 THR A 49 1.964 4.797 15.099 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.269 4.943 14.334 1.00 0.00 C ATOM 0 H THR A 49 3.495 5.792 13.421 1.00 0.00 H new ATOM 0 HA THR A 49 1.625 3.949 12.569 1.00 0.00 H new ATOM 0 HB THR A 49 1.197 6.475 14.148 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.616 5.039 15.983 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.576 5.228 15.340 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.925 5.421 13.606 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.336 3.860 14.227 1.00 0.00 H new ATOM 798 N VAL A 50 0.998 6.992 11.451 1.00 0.00 N ATOM 799 CA VAL A 50 0.233 7.742 10.462 1.00 0.00 C ATOM 800 C VAL A 50 0.668 7.383 9.043 1.00 0.00 C ATOM 801 O VAL A 50 -0.111 7.503 8.098 1.00 0.00 O ATOM 802 CB VAL A 50 0.384 9.260 10.670 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.835 9.675 10.519 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.505 10.026 9.700 1.00 0.00 C ATOM 0 H VAL A 50 1.675 7.549 11.972 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.814 7.469 10.596 1.00 0.00 H new ATOM 0 HB VAL A 50 0.065 9.503 11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.923 10.751 10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.441 9.154 11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.185 9.418 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.384 11.097 9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.222 9.781 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.546 9.750 9.865 1.00 0.00 H new ATOM 814 N THR A 51 1.913 6.942 8.904 1.00 0.00 N ATOM 815 CA THR A 51 2.452 6.566 7.602 1.00 0.00 C ATOM 816 C THR A 51 1.803 5.285 7.089 1.00 0.00 C ATOM 817 O THR A 51 1.354 5.218 5.946 1.00 0.00 O ATOM 818 CB THR A 51 3.967 6.383 7.689 1.00 0.00 C ATOM 819 OG1 THR A 51 4.557 7.431 8.440 1.00 0.00 O ATOM 820 CG2 THR A 51 4.646 6.348 6.338 1.00 0.00 C ATOM 0 H THR A 51 2.569 6.836 9.678 1.00 0.00 H new ATOM 0 HA THR A 51 2.228 7.369 6.900 1.00 0.00 H new ATOM 0 HB THR A 51 4.113 5.418 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.193 8.291 8.144 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.719 6.216 6.474 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.249 5.518 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.459 7.285 5.813 1.00 0.00 H new ATOM 828 N LEU A 52 1.759 4.266 7.943 1.00 0.00 N ATOM 829 CA LEU A 52 1.168 2.984 7.575 1.00 0.00 C ATOM 830 C LEU A 52 -0.289 3.152 7.158 1.00 0.00 C ATOM 831 O LEU A 52 -0.696 2.684 6.094 1.00 0.00 O ATOM 832 CB LEU A 52 1.268 2.000 8.743 1.00 0.00 C ATOM 833 CG LEU A 52 2.692 1.655 9.178 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.690 1.025 10.562 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.347 0.725 8.169 1.00 0.00 C ATOM 0 H LEU A 52 2.126 4.304 8.894 1.00 0.00 H new ATOM 0 HA LEU A 52 1.724 2.588 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.735 2.418 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.755 1.079 8.467 1.00 0.00 H new ATOM 0 HG LEU A 52 3.271 2.577 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.712 0.786 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.261 1.725 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.095 0.112 10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.360 0.490 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.768 -0.195 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.383 1.213 7.195 1.00 0.00 H new ATOM 847 N LYS A 53 -1.072 3.819 8.001 1.00 0.00 N ATOM 848 CA LYS A 53 -2.484 4.047 7.712 1.00 0.00 C ATOM 849 C LYS A 53 -2.658 4.737 6.363 1.00 0.00 C ATOM 850 O LYS A 53 -3.656 4.531 5.674 1.00 0.00 O ATOM 851 CB LYS A 53 -3.128 4.885 8.817 1.00 0.00 C ATOM 852 CG LYS A 53 -2.487 6.250 8.998 1.00 0.00 C ATOM 853 CD LYS A 53 -3.204 7.064 10.063 1.00 0.00 C ATOM 854 CE LYS A 53 -2.930 6.521 11.456 1.00 0.00 C ATOM 855 NZ LYS A 53 -2.920 7.600 12.480 1.00 0.00 N ATOM 0 H LYS A 53 -0.754 4.210 8.888 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.981 3.078 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.186 5.017 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.069 4.338 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.440 6.128 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.505 6.790 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.882 8.104 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.277 7.052 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.690 5.783 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.970 6.006 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.730 7.189 13.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.178 8.291 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.845 8.076 12.492 1.00 0.00 H new ATOM 869 N LYS A 54 -1.676 5.554 5.992 1.00 0.00 N ATOM 870 CA LYS A 54 -1.720 6.269 4.722 1.00 0.00 C ATOM 871 C LYS A 54 -1.725 5.289 3.555 1.00 0.00 C ATOM 872 O LYS A 54 -2.626 5.312 2.716 1.00 0.00 O ATOM 873 CB LYS A 54 -0.527 7.223 4.609 1.00 0.00 C ATOM 874 CG LYS A 54 -0.926 8.685 4.496 1.00 0.00 C ATOM 875 CD LYS A 54 -1.153 9.308 5.864 1.00 0.00 C ATOM 876 CE LYS A 54 -1.278 10.822 5.776 1.00 0.00 C ATOM 877 NZ LYS A 54 -2.590 11.302 6.289 1.00 0.00 N ATOM 0 H LYS A 54 -0.843 5.736 6.551 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.640 6.852 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.113 7.096 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.066 6.948 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.147 9.236 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.835 8.770 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.058 8.893 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.326 9.048 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.473 11.286 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.157 11.137 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.635 12.338 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.357 10.879 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.696 11.024 7.286 1.00 0.00 H new ATOM 891 N LEU A 55 -0.719 4.421 3.511 1.00 0.00 N ATOM 892 CA LEU A 55 -0.615 3.424 2.451 1.00 0.00 C ATOM 893 C LEU A 55 -1.837 2.513 2.423 1.00 0.00 C ATOM 894 O LEU A 55 -2.149 1.911 1.395 1.00 0.00 O ATOM 895 CB LEU A 55 0.657 2.591 2.618 1.00 0.00 C ATOM 896 CG LEU A 55 1.899 3.169 1.938 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.729 4.007 2.899 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.747 2.056 1.344 1.00 0.00 C ATOM 0 H LEU A 55 0.035 4.388 4.197 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.567 3.957 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.863 2.478 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.475 1.592 2.221 1.00 0.00 H new ATOM 0 HG LEU A 55 1.558 3.824 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.602 4.400 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.127 4.835 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.053 3.387 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.627 2.485 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.061 1.376 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.162 1.508 0.606 1.00 0.00 H new ATOM 910 N ALA A 56 -2.530 2.413 3.552 1.00 0.00 N ATOM 911 CA ALA A 56 -3.716 1.573 3.641 1.00 0.00 C ATOM 912 C ALA A 56 -4.949 2.309 3.127 1.00 0.00 C ATOM 913 O ALA A 56 -5.701 1.785 2.304 1.00 0.00 O ATOM 914 CB ALA A 56 -3.935 1.112 5.073 1.00 0.00 C ATOM 0 H ALA A 56 -2.291 2.902 4.415 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.556 0.698 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.826 0.485 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.070 0.539 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.067 1.980 5.719 1.00 0.00 H new ATOM 920 N GLU A 57 -5.154 3.530 3.613 1.00 0.00 N ATOM 921 CA GLU A 57 -6.298 4.334 3.199 1.00 0.00 C ATOM 922 C GLU A 57 -6.324 4.492 1.682 1.00 0.00 C ATOM 923 O GLU A 57 -7.391 4.544 1.069 1.00 0.00 O ATOM 924 CB GLU A 57 -6.253 5.708 3.868 1.00 0.00 C ATOM 925 CG GLU A 57 -6.233 5.645 5.387 1.00 0.00 C ATOM 926 CD GLU A 57 -7.369 6.425 6.019 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.307 7.672 6.019 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.322 5.788 6.516 1.00 0.00 O ATOM 0 H GLU A 57 -4.543 3.983 4.293 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.207 3.820 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.367 6.242 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.119 6.287 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.292 4.604 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.283 6.036 5.750 1.00 0.00 H new ATOM 935 N SER A 58 -5.140 4.564 1.080 1.00 0.00 N ATOM 936 CA SER A 58 -5.023 4.710 -0.367 1.00 0.00 C ATOM 937 C SER A 58 -5.098 3.348 -1.048 1.00 0.00 C ATOM 938 O SER A 58 -5.846 3.163 -2.008 1.00 0.00 O ATOM 939 CB SER A 58 -3.708 5.404 -0.728 1.00 0.00 C ATOM 940 OG SER A 58 -3.886 6.804 -0.851 1.00 0.00 O ATOM 0 H SER A 58 -4.248 4.524 1.573 1.00 0.00 H new ATOM 0 HA SER A 58 -5.853 5.323 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.961 5.195 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.325 4.999 -1.665 1.00 0.00 H new ATOM 0 HG SER A 58 -3.031 7.224 -1.080 1.00 0.00 H new ATOM 946 N LEU A 59 -4.323 2.396 -0.539 1.00 0.00 N ATOM 947 CA LEU A 59 -4.302 1.046 -1.091 1.00 0.00 C ATOM 948 C LEU A 59 -3.785 1.048 -2.529 1.00 0.00 C ATOM 949 O LEU A 59 -4.404 0.478 -3.427 1.00 0.00 O ATOM 950 CB LEU A 59 -5.711 0.432 -1.024 1.00 0.00 C ATOM 951 CG LEU A 59 -5.870 -0.820 -0.143 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.818 -2.078 -0.992 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.812 -0.878 0.952 1.00 0.00 C ATOM 0 H LEU A 59 -3.700 2.535 0.257 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.621 0.439 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.399 1.195 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.022 0.178 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.845 -0.758 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.932 -2.953 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.625 -2.056 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.860 -2.129 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.958 -1.776 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.821 -0.902 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.899 0.002 1.589 1.00 0.00 H new ATOM 965 N SER A 60 -2.639 1.691 -2.737 1.00 0.00 N ATOM 966 CA SER A 60 -2.032 1.765 -4.061 1.00 0.00 C ATOM 967 C SER A 60 -0.519 1.589 -3.973 1.00 0.00 C ATOM 968 O SER A 60 0.156 2.302 -3.231 1.00 0.00 O ATOM 969 CB SER A 60 -2.363 3.104 -4.724 1.00 0.00 C ATOM 970 OG SER A 60 -3.691 3.115 -5.217 1.00 0.00 O ATOM 0 H SER A 60 -2.113 2.168 -2.005 1.00 0.00 H new ATOM 0 HA SER A 60 -2.441 0.957 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.233 3.912 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.667 3.290 -5.542 1.00 0.00 H new ATOM 0 HG SER A 60 -4.183 2.352 -4.848 1.00 0.00 H new ATOM 976 N SER A 61 0.010 0.632 -4.731 1.00 0.00 N ATOM 977 CA SER A 61 1.444 0.365 -4.730 1.00 0.00 C ATOM 978 C SER A 61 2.171 1.268 -5.721 1.00 0.00 C ATOM 979 O SER A 61 2.440 0.872 -6.856 1.00 0.00 O ATOM 980 CB SER A 61 1.711 -1.105 -5.070 1.00 0.00 C ATOM 981 OG SER A 61 0.551 -1.725 -5.600 1.00 0.00 O ATOM 0 H SER A 61 -0.532 0.031 -5.352 1.00 0.00 H new ATOM 0 HA SER A 61 1.825 0.576 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.525 -1.173 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.034 -1.636 -4.174 1.00 0.00 H new ATOM 0 HG SER A 61 -0.023 -2.027 -4.865 1.00 0.00 H new ATOM 987 N ASP A 62 2.496 2.478 -5.280 1.00 0.00 N ATOM 988 CA ASP A 62 3.203 3.437 -6.122 1.00 0.00 C ATOM 989 C ASP A 62 4.464 3.944 -5.423 1.00 0.00 C ATOM 990 O ASP A 62 4.498 4.051 -4.202 1.00 0.00 O ATOM 991 CB ASP A 62 2.288 4.614 -6.467 1.00 0.00 C ATOM 992 CG ASP A 62 1.459 4.355 -7.710 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.941 3.630 -8.606 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.327 4.879 -7.788 1.00 0.00 O ATOM 0 H ASP A 62 2.281 2.819 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 62 3.496 2.932 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.624 4.814 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.892 5.509 -6.616 1.00 0.00 H new ATOM 999 N PRO A 63 5.524 4.258 -6.185 1.00 0.00 N ATOM 1000 CA PRO A 63 6.783 4.746 -5.626 1.00 0.00 C ATOM 1001 C PRO A 63 6.722 6.228 -5.259 1.00 0.00 C ATOM 1002 O PRO A 63 7.254 6.645 -4.229 1.00 0.00 O ATOM 1003 CB PRO A 63 7.803 4.521 -6.754 1.00 0.00 C ATOM 1004 CG PRO A 63 7.050 3.883 -7.882 1.00 0.00 C ATOM 1005 CD PRO A 63 5.593 4.159 -7.642 1.00 0.00 C ATOM 0 HA PRO A 63 7.034 4.229 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.249 5.465 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.618 3.880 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.368 4.293 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.240 2.810 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.270 5.080 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.960 3.358 -8.025 1.00 0.00 H new ATOM 1013 N GLU A 64 6.077 7.019 -6.110 1.00 0.00 N ATOM 1014 CA GLU A 64 5.953 8.456 -5.878 1.00 0.00 C ATOM 1015 C GLU A 64 4.859 8.761 -4.861 1.00 0.00 C ATOM 1016 O GLU A 64 4.992 9.675 -4.049 1.00 0.00 O ATOM 1017 CB GLU A 64 5.659 9.181 -7.193 1.00 0.00 C ATOM 1018 CG GLU A 64 4.527 8.554 -7.992 1.00 0.00 C ATOM 1019 CD GLU A 64 3.974 9.488 -9.049 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.779 10.070 -9.807 1.00 0.00 O ATOM 1021 OE2 GLU A 64 2.736 9.638 -9.121 1.00 0.00 O ATOM 0 H GLU A 64 5.632 6.691 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 64 6.901 8.812 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.409 10.220 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.562 9.190 -7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.886 7.642 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.725 8.264 -7.313 1.00 0.00 H new ATOM 1028 N VAL A 65 3.774 7.995 -4.914 1.00 0.00 N ATOM 1029 CA VAL A 65 2.655 8.189 -4.000 1.00 0.00 C ATOM 1030 C VAL A 65 3.106 8.088 -2.546 1.00 0.00 C ATOM 1031 O VAL A 65 2.634 8.831 -1.685 1.00 0.00 O ATOM 1032 CB VAL A 65 1.534 7.160 -4.251 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.365 7.391 -3.305 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.070 7.222 -5.700 1.00 0.00 C ATOM 0 H VAL A 65 3.646 7.234 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 65 2.267 9.190 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 65 1.935 6.165 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.413 6.653 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.706 7.293 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.037 8.392 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.279 6.490 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.690 8.220 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.908 7.001 -6.360 1.00 0.00 H new ATOM 1044 N LEU A 66 4.018 7.161 -2.278 1.00 0.00 N ATOM 1045 CA LEU A 66 4.528 6.961 -0.928 1.00 0.00 C ATOM 1046 C LEU A 66 5.439 8.108 -0.509 1.00 0.00 C ATOM 1047 O LEU A 66 5.500 8.466 0.666 1.00 0.00 O ATOM 1048 CB LEU A 66 5.278 5.630 -0.843 1.00 0.00 C ATOM 1049 CG LEU A 66 4.439 4.394 -1.182 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.117 3.125 -0.689 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.047 4.515 -0.590 1.00 0.00 C ATOM 0 H LEU A 66 4.419 6.536 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 66 3.680 6.938 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.133 5.667 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.674 5.517 0.166 1.00 0.00 H new ATOM 0 HG LEU A 66 4.351 4.333 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.501 2.262 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.093 3.026 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.243 3.176 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.466 3.628 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.119 4.606 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.554 5.398 -0.996 1.00 0.00 H new ATOM 1063 N LEU A 67 6.140 8.684 -1.479 1.00 0.00 N ATOM 1064 CA LEU A 67 7.045 9.796 -1.210 1.00 0.00 C ATOM 1065 C LEU A 67 6.297 10.961 -0.569 1.00 0.00 C ATOM 1066 O LEU A 67 6.828 11.652 0.300 1.00 0.00 O ATOM 1067 CB LEU A 67 7.717 10.255 -2.505 1.00 0.00 C ATOM 1068 CG LEU A 67 9.081 10.923 -2.327 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.989 12.071 -1.333 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.116 9.905 -1.873 1.00 0.00 C ATOM 0 H LEU A 67 6.099 8.400 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 67 7.810 9.452 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.835 9.392 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.052 10.953 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 67 9.394 11.328 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.969 12.534 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.278 12.812 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.654 11.691 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.081 10.397 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.807 9.471 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.203 9.116 -2.620 1.00 0.00 H new ATOM 1082 N GLN A 68 5.060 11.172 -1.008 1.00 0.00 N ATOM 1083 CA GLN A 68 4.234 12.253 -0.482 1.00 0.00 C ATOM 1084 C GLN A 68 3.682 11.910 0.900 1.00 0.00 C ATOM 1085 O GLN A 68 3.277 12.796 1.652 1.00 0.00 O ATOM 1086 CB GLN A 68 3.081 12.552 -1.444 1.00 0.00 C ATOM 1087 CG GLN A 68 3.511 12.635 -2.900 1.00 0.00 C ATOM 1088 CD GLN A 68 2.774 13.716 -3.664 1.00 0.00 C ATOM 1089 OE1 GLN A 68 1.911 14.404 -3.116 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.108 13.872 -4.941 1.00 0.00 N ATOM 0 H GLN A 68 4.607 10.608 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 68 4.863 13.138 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.322 11.776 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.614 13.494 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.583 12.828 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.338 11.673 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.828 13.281 -5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.644 14.583 -5.506 1.00 0.00 H new ATOM 1099 N ILE A 69 3.668 10.622 1.231 1.00 0.00 N ATOM 1100 CA ILE A 69 3.165 10.173 2.525 1.00 0.00 C ATOM 1101 C ILE A 69 4.022 10.717 3.664 1.00 0.00 C ATOM 1102 O ILE A 69 5.248 10.765 3.564 1.00 0.00 O ATOM 1103 CB ILE A 69 3.130 8.633 2.614 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.344 8.048 1.436 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.524 8.186 3.936 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.857 8.318 1.499 1.00 0.00 C ATOM 0 H ILE A 69 3.998 9.873 0.623 1.00 0.00 H new ATOM 0 HA ILE A 69 2.149 10.557 2.620 1.00 0.00 H new ATOM 0 HB ILE A 69 4.154 8.262 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.739 8.460 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.507 6.971 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.508 7.097 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.123 8.573 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.506 8.567 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.369 7.873 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.446 7.882 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.682 9.394 1.501 1.00 0.00 H new ATOM 1118 N ASP A 70 3.368 11.126 4.747 1.00 0.00 N ATOM 1119 CA ASP A 70 4.070 11.666 5.905 1.00 0.00 C ATOM 1120 C ASP A 70 4.900 10.587 6.592 1.00 0.00 C ATOM 1121 O ASP A 70 4.373 9.555 7.008 1.00 0.00 O ATOM 1122 CB ASP A 70 3.072 12.267 6.897 1.00 0.00 C ATOM 1123 CG ASP A 70 2.416 13.526 6.366 1.00 0.00 C ATOM 1124 OD1 ASP A 70 3.072 14.260 5.597 1.00 0.00 O ATOM 1125 OD2 ASP A 70 1.243 13.779 6.719 1.00 0.00 O ATOM 0 H ASP A 70 2.353 11.094 4.846 1.00 0.00 H new ATOM 0 HA ASP A 70 4.744 12.449 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.303 11.529 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.585 12.494 7.832 1.00 0.00 H new ATOM 1130 N GLY A 71 6.201 10.831 6.705 1.00 0.00 N ATOM 1131 CA GLY A 71 7.084 9.871 7.340 1.00 0.00 C ATOM 1132 C GLY A 71 7.960 9.141 6.341 1.00 0.00 C ATOM 1133 O GLY A 71 9.070 8.722 6.668 1.00 0.00 O ATOM 0 H GLY A 71 6.660 11.677 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.715 10.386 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.489 9.146 7.895 1.00 0.00 H new ATOM 1137 N VAL A 72 7.459 8.988 5.120 1.00 0.00 N ATOM 1138 CA VAL A 72 8.202 8.305 4.067 1.00 0.00 C ATOM 1139 C VAL A 72 9.152 9.265 3.360 1.00 0.00 C ATOM 1140 O VAL A 72 8.768 10.376 2.993 1.00 0.00 O ATOM 1141 CB VAL A 72 7.259 7.675 3.024 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.004 6.662 2.167 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.060 7.028 3.701 1.00 0.00 C ATOM 0 H VAL A 72 6.541 9.328 4.835 1.00 0.00 H new ATOM 0 HA VAL A 72 8.775 7.513 4.549 1.00 0.00 H new ATOM 0 HB VAL A 72 6.894 8.469 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.320 6.229 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.823 7.158 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.404 5.872 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.408 6.590 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.403 6.248 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.509 7.782 4.263 1.00 0.00 H new ATOM 1153 N THR A 73 10.394 8.832 3.171 1.00 0.00 N ATOM 1154 CA THR A 73 11.399 9.653 2.507 1.00 0.00 C ATOM 1155 C THR A 73 11.985 8.928 1.299 1.00 0.00 C ATOM 1156 O THR A 73 11.577 7.813 0.973 1.00 0.00 O ATOM 1157 CB THR A 73 12.514 10.022 3.486 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.789 8.943 4.362 1.00 0.00 O ATOM 1159 CG2 THR A 73 12.190 11.231 4.336 1.00 0.00 C ATOM 0 H THR A 73 10.729 7.916 3.469 1.00 0.00 H new ATOM 0 HA THR A 73 10.914 10.565 2.159 1.00 0.00 H new ATOM 0 HB THR A 73 13.378 10.257 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.759 8.821 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.023 11.437 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.021 12.094 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.292 11.034 4.922 1.00 0.00 H new ATOM 1167 N GLU A 74 12.943 9.570 0.639 1.00 0.00 N ATOM 1168 CA GLU A 74 13.585 8.987 -0.533 1.00 0.00 C ATOM 1169 C GLU A 74 14.340 7.712 -0.163 1.00 0.00 C ATOM 1170 O GLU A 74 14.292 6.718 -0.886 1.00 0.00 O ATOM 1171 CB GLU A 74 14.542 9.997 -1.171 1.00 0.00 C ATOM 1172 CG GLU A 74 14.060 10.528 -2.512 1.00 0.00 C ATOM 1173 CD GLU A 74 14.861 9.980 -3.678 1.00 0.00 C ATOM 1174 OE1 GLU A 74 14.493 8.904 -4.197 1.00 0.00 O ATOM 1175 OE2 GLU A 74 15.854 10.626 -4.071 1.00 0.00 O ATOM 0 H GLU A 74 13.292 10.494 0.896 1.00 0.00 H new ATOM 0 HA GLU A 74 12.808 8.730 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.682 10.834 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.517 9.528 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.009 10.270 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.123 11.616 -2.512 1.00 0.00 H new ATOM 1182 N ASP A 75 15.038 7.751 0.968 1.00 0.00 N ATOM 1183 CA ASP A 75 15.805 6.600 1.432 1.00 0.00 C ATOM 1184 C ASP A 75 14.880 5.450 1.817 1.00 0.00 C ATOM 1185 O ASP A 75 15.144 4.293 1.489 1.00 0.00 O ATOM 1186 CB ASP A 75 16.677 6.991 2.627 1.00 0.00 C ATOM 1187 CG ASP A 75 15.874 7.613 3.752 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.658 8.842 3.720 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.459 6.870 4.667 1.00 0.00 O ATOM 0 H ASP A 75 15.088 8.566 1.579 1.00 0.00 H new ATOM 0 HA ASP A 75 16.447 6.268 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.195 6.107 3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.443 7.694 2.299 1.00 0.00 H new ATOM 1194 N LYS A 76 13.797 5.775 2.515 1.00 0.00 N ATOM 1195 CA LYS A 76 12.833 4.766 2.943 1.00 0.00 C ATOM 1196 C LYS A 76 12.240 4.036 1.742 1.00 0.00 C ATOM 1197 O LYS A 76 12.262 2.809 1.677 1.00 0.00 O ATOM 1198 CB LYS A 76 11.717 5.412 3.766 1.00 0.00 C ATOM 1199 CG LYS A 76 12.226 6.261 4.920 1.00 0.00 C ATOM 1200 CD LYS A 76 12.245 5.478 6.223 1.00 0.00 C ATOM 1201 CE LYS A 76 11.792 6.335 7.394 1.00 0.00 C ATOM 1202 NZ LYS A 76 12.928 7.060 8.023 1.00 0.00 N ATOM 0 H LYS A 76 13.564 6.727 2.796 1.00 0.00 H new ATOM 0 HA LYS A 76 13.357 4.039 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.106 6.033 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.068 4.630 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.231 6.618 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.593 7.141 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.595 4.607 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.252 5.106 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.048 7.054 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.307 5.704 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.577 7.633 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.627 6.374 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.376 7.681 7.319 1.00 0.00 H new ATOM 1216 N LEU A 77 11.716 4.800 0.792 1.00 0.00 N ATOM 1217 CA LEU A 77 11.120 4.230 -0.412 1.00 0.00 C ATOM 1218 C LEU A 77 12.185 3.590 -1.307 1.00 0.00 C ATOM 1219 O LEU A 77 11.862 2.876 -2.254 1.00 0.00 O ATOM 1220 CB LEU A 77 10.367 5.316 -1.187 1.00 0.00 C ATOM 1221 CG LEU A 77 9.109 4.851 -1.926 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.444 3.762 -2.930 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.053 4.363 -0.944 1.00 0.00 C ATOM 0 H LEU A 77 11.691 5.819 0.831 1.00 0.00 H new ATOM 0 HA LEU A 77 10.420 3.451 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.086 6.106 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.050 5.759 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 77 8.704 5.705 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.535 3.448 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.157 4.146 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.881 2.909 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.169 4.038 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.450 3.527 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.783 5.174 -0.268 1.00 0.00 H new ATOM 1235 N GLU A 78 13.455 3.857 -1.010 1.00 0.00 N ATOM 1236 CA GLU A 78 14.551 3.308 -1.799 1.00 0.00 C ATOM 1237 C GLU A 78 14.869 1.868 -1.396 1.00 0.00 C ATOM 1238 O GLU A 78 14.766 0.951 -2.210 1.00 0.00 O ATOM 1239 CB GLU A 78 15.799 4.181 -1.646 1.00 0.00 C ATOM 1240 CG GLU A 78 16.182 4.922 -2.917 1.00 0.00 C ATOM 1241 CD GLU A 78 17.046 6.138 -2.645 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.873 6.083 -1.711 1.00 0.00 O ATOM 1243 OE2 GLU A 78 16.895 7.148 -3.366 1.00 0.00 O ATOM 0 H GLU A 78 13.748 4.448 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 78 14.238 3.302 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.630 4.906 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.635 3.554 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.716 4.243 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.277 5.233 -3.439 1.00 0.00 H new ATOM 1250 N LYS A 79 15.272 1.681 -0.143 1.00 0.00 N ATOM 1251 CA LYS A 79 15.625 0.353 0.354 1.00 0.00 C ATOM 1252 C LYS A 79 14.390 -0.458 0.744 1.00 0.00 C ATOM 1253 O LYS A 79 14.312 -1.654 0.465 1.00 0.00 O ATOM 1254 CB LYS A 79 16.572 0.468 1.552 1.00 0.00 C ATOM 1255 CG LYS A 79 16.082 1.416 2.636 1.00 0.00 C ATOM 1256 CD LYS A 79 17.114 2.487 2.953 1.00 0.00 C ATOM 1257 CE LYS A 79 18.304 1.907 3.703 1.00 0.00 C ATOM 1258 NZ LYS A 79 18.829 2.854 4.726 1.00 0.00 N ATOM 0 H LYS A 79 15.362 2.428 0.545 1.00 0.00 H new ATOM 0 HA LYS A 79 16.127 -0.174 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.715 -0.522 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.547 0.806 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.154 1.888 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.855 0.850 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.456 2.950 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.653 3.273 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.010 0.976 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.095 1.662 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.639 2.422 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.134 3.733 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.082 3.068 5.417 1.00 0.00 H new ATOM 1272 N TYR A 80 13.430 0.189 1.398 1.00 0.00 N ATOM 1273 CA TYR A 80 12.211 -0.489 1.828 1.00 0.00 C ATOM 1274 C TYR A 80 11.210 -0.613 0.684 1.00 0.00 C ATOM 1275 O TYR A 80 10.401 -1.539 0.657 1.00 0.00 O ATOM 1276 CB TYR A 80 11.572 0.253 3.001 1.00 0.00 C ATOM 1277 CG TYR A 80 12.544 0.594 4.106 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.349 -0.386 4.675 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.657 1.893 4.582 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.239 -0.080 5.686 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.546 2.210 5.592 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.334 1.220 6.141 1.00 0.00 C ATOM 1283 OH TYR A 80 15.220 1.529 7.147 1.00 0.00 O ATOM 0 H TYR A 80 13.472 1.179 1.641 1.00 0.00 H new ATOM 0 HA TYR A 80 12.488 -1.493 2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.117 1.173 2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.769 -0.358 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.277 -1.404 4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.039 2.670 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.857 -0.853 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.623 3.226 5.949 1.00 0.00 H new ATOM 0 HH TYR A 80 15.164 2.486 7.349 1.00 0.00 H new ATOM 1293 N GLY A 81 11.268 0.325 -0.257 1.00 0.00 N ATOM 1294 CA GLY A 81 10.354 0.301 -1.389 1.00 0.00 C ATOM 1295 C GLY A 81 10.276 -1.062 -2.054 1.00 0.00 C ATOM 1296 O GLY A 81 9.260 -1.406 -2.657 1.00 0.00 O ATOM 0 H GLY A 81 11.930 1.101 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.359 0.594 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.673 1.041 -2.123 1.00 0.00 H new ATOM 1300 N ALA A 82 11.349 -1.835 -1.945 1.00 0.00 N ATOM 1301 CA ALA A 82 11.397 -3.164 -2.542 1.00 0.00 C ATOM 1302 C ALA A 82 10.616 -4.175 -1.706 1.00 0.00 C ATOM 1303 O ALA A 82 10.168 -5.200 -2.217 1.00 0.00 O ATOM 1304 CB ALA A 82 12.840 -3.616 -2.707 1.00 0.00 C ATOM 0 H ALA A 82 12.198 -1.565 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 82 10.929 -3.109 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.861 -4.610 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.369 -2.916 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.326 -3.646 -1.732 1.00 0.00 H new ATOM 1310 N GLU A 83 10.460 -3.882 -0.418 1.00 0.00 N ATOM 1311 CA GLU A 83 9.738 -4.773 0.484 1.00 0.00 C ATOM 1312 C GLU A 83 8.283 -4.338 0.642 1.00 0.00 C ATOM 1313 O GLU A 83 7.365 -5.084 0.303 1.00 0.00 O ATOM 1314 CB GLU A 83 10.422 -4.814 1.852 1.00 0.00 C ATOM 1315 CG GLU A 83 10.575 -6.218 2.413 1.00 0.00 C ATOM 1316 CD GLU A 83 11.651 -7.015 1.703 1.00 0.00 C ATOM 1317 OE1 GLU A 83 11.471 -7.320 0.506 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.674 -7.334 2.345 1.00 0.00 O ATOM 0 H GLU A 83 10.823 -3.037 0.023 1.00 0.00 H new ATOM 0 HA GLU A 83 9.751 -5.772 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.407 -4.355 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.847 -4.211 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.814 -6.157 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.624 -6.744 2.330 1.00 0.00 H new ATOM 1325 N VAL A 84 8.076 -3.131 1.165 1.00 0.00 N ATOM 1326 CA VAL A 84 6.728 -2.609 1.370 1.00 0.00 C ATOM 1327 C VAL A 84 5.879 -2.751 0.108 1.00 0.00 C ATOM 1328 O VAL A 84 4.793 -3.330 0.144 1.00 0.00 O ATOM 1329 CB VAL A 84 6.740 -1.128 1.806 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.097 -1.007 3.278 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.698 -0.313 0.949 1.00 0.00 C ATOM 0 H VAL A 84 8.822 -2.498 1.453 1.00 0.00 H new ATOM 0 HA VAL A 84 6.289 -3.204 2.171 1.00 0.00 H new ATOM 0 HB VAL A 84 5.737 -0.725 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.100 0.044 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.362 -1.545 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.086 -1.433 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.686 0.726 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.707 -0.714 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.388 -0.367 -0.095 1.00 0.00 H new ATOM 1341 N ILE A 85 6.379 -2.221 -1.005 1.00 0.00 N ATOM 1342 CA ILE A 85 5.664 -2.291 -2.273 1.00 0.00 C ATOM 1343 C ILE A 85 5.414 -3.738 -2.682 1.00 0.00 C ATOM 1344 O ILE A 85 4.468 -4.028 -3.410 1.00 0.00 O ATOM 1345 CB ILE A 85 6.436 -1.575 -3.400 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.788 -0.148 -2.979 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.618 -1.572 -4.687 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.459 0.658 -4.070 1.00 0.00 C ATOM 0 H ILE A 85 7.276 -1.739 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 85 4.709 -1.787 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 85 7.363 -2.117 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.878 0.365 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.446 -0.186 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.177 -1.063 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.416 -2.599 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.675 -1.052 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.679 1.659 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.387 0.168 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.795 0.728 -4.932 1.00 0.00 H new ATOM 1360 N SER A 86 6.261 -4.645 -2.206 1.00 0.00 N ATOM 1361 CA SER A 86 6.113 -6.059 -2.525 1.00 0.00 C ATOM 1362 C SER A 86 4.770 -6.577 -2.023 1.00 0.00 C ATOM 1363 O SER A 86 4.160 -7.453 -2.635 1.00 0.00 O ATOM 1364 CB SER A 86 7.252 -6.867 -1.902 1.00 0.00 C ATOM 1365 OG SER A 86 7.357 -8.148 -2.501 1.00 0.00 O ATOM 0 H SER A 86 7.053 -4.427 -1.601 1.00 0.00 H new ATOM 0 HA SER A 86 6.152 -6.175 -3.608 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.192 -6.328 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.081 -6.976 -0.831 1.00 0.00 H new ATOM 0 HG SER A 86 8.093 -8.644 -2.086 1.00 0.00 H new ATOM 1371 N VAL A 87 4.318 -6.019 -0.904 1.00 0.00 N ATOM 1372 CA VAL A 87 3.046 -6.410 -0.308 1.00 0.00 C ATOM 1373 C VAL A 87 1.896 -5.551 -0.831 1.00 0.00 C ATOM 1374 O VAL A 87 0.730 -5.932 -0.729 1.00 0.00 O ATOM 1375 CB VAL A 87 3.091 -6.297 1.229 1.00 0.00 C ATOM 1376 CG1 VAL A 87 1.876 -6.967 1.850 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.378 -6.899 1.774 1.00 0.00 C ATOM 0 H VAL A 87 4.816 -5.292 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 87 2.875 -7.449 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 87 3.071 -5.240 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.926 -6.877 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.969 -6.484 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.861 -8.021 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.390 -6.809 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.434 -7.952 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.233 -6.368 1.356 1.00 0.00 H new ATOM 1387 N LEU A 88 2.229 -4.383 -1.378 1.00 0.00 N ATOM 1388 CA LEU A 88 1.216 -3.468 -1.899 1.00 0.00 C ATOM 1389 C LEU A 88 0.865 -3.771 -3.355 1.00 0.00 C ATOM 1390 O LEU A 88 -0.170 -3.329 -3.853 1.00 0.00 O ATOM 1391 CB LEU A 88 1.698 -2.021 -1.772 1.00 0.00 C ATOM 1392 CG LEU A 88 1.658 -1.446 -0.353 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.039 -0.982 0.078 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.658 -0.299 -0.261 1.00 0.00 C ATOM 0 H LEU A 88 3.188 -4.049 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 88 0.314 -3.608 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.721 -1.961 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.087 -1.392 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 88 1.334 -2.238 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.988 -0.577 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.729 -1.826 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.393 -0.210 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.647 0.093 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.948 0.492 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.337 -0.662 -0.521 1.00 0.00 H new ATOM 1406 N GLN A 89 1.728 -4.517 -4.037 1.00 0.00 N ATOM 1407 CA GLN A 89 1.501 -4.863 -5.436 1.00 0.00 C ATOM 1408 C GLN A 89 0.128 -5.505 -5.632 1.00 0.00 C ATOM 1409 O GLN A 89 -0.444 -5.446 -6.720 1.00 0.00 O ATOM 1410 CB GLN A 89 2.594 -5.812 -5.930 1.00 0.00 C ATOM 1411 CG GLN A 89 2.812 -5.756 -7.435 1.00 0.00 C ATOM 1412 CD GLN A 89 4.246 -5.433 -7.805 1.00 0.00 C ATOM 1413 OE1 GLN A 89 5.184 -6.059 -7.311 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.424 -4.450 -8.682 1.00 0.00 N ATOM 0 H GLN A 89 2.591 -4.894 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 89 1.533 -3.942 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.530 -5.569 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.334 -6.832 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.534 -6.714 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.151 -5.004 -7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.618 -3.957 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.367 -4.188 -8.970 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.393 -6.119 -4.574 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.695 -6.772 -4.635 1.00 0.00 C ATOM 1425 C LYS A 90 -2.827 -5.748 -4.608 1.00 0.00 C ATOM 1426 O LYS A 90 -3.906 -5.987 -5.152 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.854 -7.751 -3.469 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.617 -8.597 -3.211 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.961 -9.869 -2.451 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.221 -9.585 -0.980 1.00 0.00 C ATOM 1431 NZ LYS A 90 -2.645 -9.232 -0.726 1.00 0.00 N ATOM 0 H LYS A 90 0.066 -6.178 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.750 -7.321 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.096 -7.191 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.699 -8.410 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.147 -8.855 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.110 -8.017 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.842 -10.332 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.143 -10.583 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.953 -10.460 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.580 -8.768 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.697 -8.285 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.169 -9.237 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.064 -9.927 -0.076 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.579 -4.610 -3.967 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.582 -3.555 -3.868 1.00 0.00 C ATOM 1447 C TYR A 91 -3.822 -2.894 -5.221 1.00 0.00 C ATOM 1448 O TYR A 91 -4.963 -2.777 -5.669 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.145 -2.504 -2.845 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.657 -3.086 -1.537 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -3.137 -4.304 -1.065 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.707 -2.419 -0.775 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.683 -4.837 0.126 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.250 -2.947 0.418 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.741 -4.154 0.862 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.283 -4.685 2.046 1.00 0.00 O ATOM 0 H TYR A 91 -1.693 -4.395 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.516 -4.010 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.351 -1.897 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.983 -1.837 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.877 -4.842 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.319 -1.472 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.065 -5.784 0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.511 -2.415 0.999 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.657 -4.058 2.465 1.00 0.00 H new ATOM 1466 N SER A 92 -2.745 -2.460 -5.865 1.00 0.00 N ATOM 1467 CA SER A 92 -2.846 -1.807 -7.165 1.00 0.00 C ATOM 1468 C SER A 92 -3.423 -2.752 -8.216 1.00 0.00 C ATOM 1469 O SER A 92 -3.978 -2.311 -9.222 1.00 0.00 O ATOM 1470 CB SER A 92 -1.473 -1.305 -7.616 1.00 0.00 C ATOM 1471 OG SER A 92 -1.456 -1.035 -9.007 1.00 0.00 O ATOM 0 H SER A 92 -1.793 -2.548 -5.509 1.00 0.00 H new ATOM 0 HA SER A 92 -3.522 -0.959 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.215 -0.401 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.714 -2.051 -7.379 1.00 0.00 H new ATOM 0 HG SER A 92 -0.567 -0.714 -9.267 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.283 -4.054 -7.982 1.00 0.00 N ATOM 1478 CA GLU A 93 -3.787 -5.056 -8.914 1.00 0.00 C ATOM 1479 C GLU A 93 -5.242 -5.412 -8.617 1.00 0.00 C ATOM 1480 O GLU A 93 -5.945 -5.944 -9.476 1.00 0.00 O ATOM 1481 CB GLU A 93 -2.921 -6.315 -8.855 1.00 0.00 C ATOM 1482 CG GLU A 93 -1.551 -6.142 -9.491 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.538 -6.528 -10.958 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.939 -7.667 -11.276 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.126 -5.691 -11.789 1.00 0.00 O ATOM 0 H GLU A 93 -2.825 -4.439 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.740 -4.631 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.794 -6.610 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.444 -7.130 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.235 -5.104 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.825 -6.750 -8.952 1.00 0.00 H new ATOM 1492 N TRP A 94 -5.689 -5.124 -7.398 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.061 -5.425 -6.999 1.00 0.00 C ATOM 1494 C TRP A 94 -7.888 -4.150 -6.815 1.00 0.00 C ATOM 1495 O TRP A 94 -9.106 -4.213 -6.652 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.067 -6.236 -5.702 1.00 0.00 C ATOM 1497 CG TRP A 94 -6.766 -7.689 -5.910 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -5.563 -8.236 -6.248 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -7.687 -8.780 -5.797 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -5.677 -9.602 -6.351 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -6.972 -9.961 -6.078 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -9.046 -8.875 -5.483 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -7.570 -11.218 -6.056 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -9.639 -10.124 -5.461 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -8.901 -11.279 -5.746 1.00 0.00 C ATOM 0 H TRP A 94 -5.124 -4.684 -6.672 1.00 0.00 H new ATOM 0 HA TRP A 94 -7.516 -6.010 -7.798 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.333 -5.815 -5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.042 -6.139 -5.225 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -4.653 -7.677 -6.411 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -4.922 -10.244 -6.591 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -9.622 -7.989 -5.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.004 -12.111 -6.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -10.688 -10.210 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.394 -12.240 -5.721 1.00 0.00 H new ATOM 1516 N THR A 95 -7.224 -2.997 -6.840 1.00 0.00 N ATOM 1517 CA THR A 95 -7.908 -1.720 -6.674 1.00 0.00 C ATOM 1518 C THR A 95 -8.831 -1.436 -7.855 1.00 0.00 C ATOM 1519 O THR A 95 -9.878 -0.808 -7.699 1.00 0.00 O ATOM 1520 CB THR A 95 -6.893 -0.591 -6.518 1.00 0.00 C ATOM 1521 OG1 THR A 95 -7.545 0.636 -6.241 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.041 -0.390 -7.747 1.00 0.00 C ATOM 0 H THR A 95 -6.216 -2.922 -6.973 1.00 0.00 H new ATOM 0 HA THR A 95 -8.516 -1.778 -5.771 1.00 0.00 H new ATOM 0 HB THR A 95 -6.250 -0.889 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.877 1.346 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.340 0.426 -7.574 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.488 -1.305 -7.960 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.679 -0.146 -8.596 1.00 0.00 H new ATOM 1530 N SER A 96 -8.433 -1.898 -9.035 1.00 0.00 N ATOM 1531 CA SER A 96 -9.224 -1.692 -10.242 1.00 0.00 C ATOM 1532 C SER A 96 -10.285 -2.783 -10.391 1.00 0.00 C ATOM 1533 O SER A 96 -9.963 -3.970 -10.408 1.00 0.00 O ATOM 1534 CB SER A 96 -8.317 -1.677 -11.473 1.00 0.00 C ATOM 1535 OG SER A 96 -7.702 -0.411 -11.639 1.00 0.00 O ATOM 0 H SER A 96 -7.567 -2.418 -9.181 1.00 0.00 H new ATOM 0 HA SER A 96 -9.728 -0.729 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.551 -2.446 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.900 -1.921 -12.361 1.00 0.00 H new ATOM 0 HG SER A 96 -6.909 -0.504 -12.208 1.00 0.00 H new ATOM 1541 N PRO A 97 -11.570 -2.394 -10.500 1.00 0.00 N ATOM 1542 CA PRO A 97 -12.670 -3.353 -10.648 1.00 0.00 C ATOM 1543 C PRO A 97 -12.683 -4.015 -12.021 1.00 0.00 C ATOM 1544 O PRO A 97 -13.062 -5.179 -12.157 1.00 0.00 O ATOM 1545 CB PRO A 97 -13.919 -2.491 -10.461 1.00 0.00 C ATOM 1546 CG PRO A 97 -13.499 -1.125 -10.877 1.00 0.00 C ATOM 1547 CD PRO A 97 -12.051 -1.000 -10.491 1.00 0.00 C ATOM 0 HA PRO A 97 -12.591 -4.175 -9.937 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -14.746 -2.854 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.258 -2.503 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.630 -0.987 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.102 -0.364 -10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.499 -0.381 -11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.936 -0.542 -9.509 1.00 0.00 H new ATOM 1555 N ALA A 98 -12.265 -3.267 -13.037 1.00 0.00 N ATOM 1556 CA ALA A 98 -12.230 -3.781 -14.401 1.00 0.00 C ATOM 1557 C ALA A 98 -11.064 -4.744 -14.594 1.00 0.00 C ATOM 1558 O ALA A 98 -11.140 -5.674 -15.398 1.00 0.00 O ATOM 1559 CB ALA A 98 -12.137 -2.633 -15.394 1.00 0.00 C ATOM 0 H ALA A 98 -11.946 -2.303 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.155 -4.330 -14.581 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.112 -3.031 -16.409 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.004 -1.983 -15.281 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.228 -2.062 -15.205 1.00 0.00 H new ATOM 1565 N GLU A 99 -9.985 -4.518 -13.851 1.00 0.00 N ATOM 1566 CA GLU A 99 -8.802 -5.367 -13.942 1.00 0.00 C ATOM 1567 C GLU A 99 -9.142 -6.811 -13.587 1.00 0.00 C ATOM 1568 O GLU A 99 -9.015 -7.712 -14.415 1.00 0.00 O ATOM 1569 CB GLU A 99 -7.701 -4.842 -13.017 1.00 0.00 C ATOM 1570 CG GLU A 99 -6.477 -4.331 -13.758 1.00 0.00 C ATOM 1571 CD GLU A 99 -6.713 -2.986 -14.418 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -7.828 -2.768 -14.937 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -5.784 -2.152 -14.416 1.00 0.00 O ATOM 0 H GLU A 99 -9.905 -3.754 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.442 -5.342 -14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.106 -4.037 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.398 -5.639 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.643 -4.248 -13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.187 -5.058 -14.517 1.00 0.00 H new ATOM 1580 N ASP A 100 -9.574 -7.026 -12.348 1.00 0.00 N ATOM 1581 CA ASP A 100 -9.931 -8.360 -11.884 1.00 0.00 C ATOM 1582 C ASP A 100 -11.433 -8.463 -11.627 1.00 0.00 C ATOM 1583 O ASP A 100 -11.937 -7.962 -10.622 1.00 0.00 O ATOM 1584 CB ASP A 100 -9.161 -8.703 -10.608 1.00 0.00 C ATOM 1585 CG ASP A 100 -7.848 -9.406 -10.896 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -6.940 -8.760 -11.461 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -7.728 -10.603 -10.560 1.00 0.00 O ATOM 0 H ASP A 100 -9.685 -6.292 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.663 -9.072 -12.665 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.965 -7.788 -10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.779 -9.339 -9.974 1.00 0.00 H new ATOM 1592 N SER A 101 -12.140 -9.118 -12.542 1.00 0.00 N ATOM 1593 CA SER A 101 -13.583 -9.286 -12.414 1.00 0.00 C ATOM 1594 C SER A 101 -14.048 -10.554 -13.126 1.00 0.00 C ATOM 1595 O SER A 101 -15.274 -10.767 -13.211 1.00 0.00 O ATOM 1596 CB SER A 101 -14.312 -8.070 -12.987 1.00 0.00 C ATOM 1597 OG SER A 101 -15.717 -8.230 -12.905 1.00 0.00 O ATOM 1598 OXT SER A 101 -13.179 -11.321 -13.591 1.00 0.00 O ATOM 0 H SER A 101 -11.738 -9.540 -13.379 1.00 0.00 H new ATOM 0 HA SER A 101 -13.821 -9.377 -11.354 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.013 -7.174 -12.443 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.020 -7.924 -14.027 1.00 0.00 H new ATOM 0 HG SER A 101 -15.930 -9.174 -12.752 1.00 0.00 H new TER 1604 SER A 101