USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 15 CYS SG : rot 140:sc= -0.579 USER MOD Set 1.2: A 97 SER OG : rot 81:sc= -0.167 USER MOD Set 2.1: A 38 ASN :FLIP amide:sc= -0.858 F(o=-3.6,f=-0.77) USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= 0.0844 F(o=-1.8,f=-0.77) USER MOD Set 3.1: A 8 THR OG1 : rot 134:sc= 0.0677 USER MOD Set 3.2: A 73 ASN : amide:sc= 0.137 K(o=0.28,f=-2.5!) USER MOD Set 3.3: A 92 THR OG1 : rot 129:sc= 0.08 USER MOD Single : A 6 HIS : no HE2:sc= -0.167 K(o=-0.17,f=-0.89) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.422 F(o=-2.6,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.069) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.249 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-0.57) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.25 USER MOD Single : A 36 ASN : amide:sc= -0.841 K(o=-0.84,f=-6.8!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.979 USER MOD Single : A 47 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0447 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.9!) USER MOD Single : A 98 THR OG1 : rot -53:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.061 14.296 -2.841 1.00 0.00 N ATOM 78 CA HIS A 6 -4.748 13.048 -3.180 1.00 0.00 C ATOM 79 C HIS A 6 -3.757 11.893 -3.316 1.00 0.00 C ATOM 80 O HIS A 6 -2.638 12.078 -3.794 1.00 0.00 O ATOM 81 CB HIS A 6 -5.547 13.212 -4.481 1.00 0.00 C ATOM 82 CG HIS A 6 -4.705 13.494 -5.691 1.00 0.00 C ATOM 83 ND1 HIS A 6 -3.813 14.545 -5.769 1.00 0.00 N ATOM 84 CD2 HIS A 6 -4.631 12.855 -6.883 1.00 0.00 C ATOM 85 CE1 HIS A 6 -3.227 14.537 -6.952 1.00 0.00 C ATOM 86 NE2 HIS A 6 -3.705 13.524 -7.648 1.00 0.00 N ATOM 0 HA HIS A 6 -5.436 12.814 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.123 12.303 -4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.263 14.024 -4.354 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -3.634 15.222 -5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.195 11.982 -7.178 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.482 15.241 -7.292 1.00 0.00 H new ATOM 95 N ILE A 7 -4.175 10.698 -2.891 1.00 0.00 N ATOM 96 CA ILE A 7 -3.321 9.512 -2.971 1.00 0.00 C ATOM 97 C ILE A 7 -3.935 8.452 -3.886 1.00 0.00 C ATOM 98 O ILE A 7 -5.154 8.385 -4.042 1.00 0.00 O ATOM 99 CB ILE A 7 -3.070 8.894 -1.575 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.649 9.977 -0.578 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.013 7.799 -1.650 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.373 10.701 -0.960 1.00 0.00 C ATOM 0 H ILE A 7 -5.097 10.527 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.368 9.839 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.001 8.446 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.455 10.705 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.517 9.522 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.853 7.379 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.350 7.013 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.078 8.220 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.141 11.452 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.553 9.985 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.506 11.187 -1.927 1.00 0.00 H new ATOM 114 N THR A 8 -3.080 7.632 -4.491 1.00 0.00 N ATOM 115 CA THR A 8 -3.528 6.577 -5.399 1.00 0.00 C ATOM 116 C THR A 8 -3.159 5.192 -4.858 1.00 0.00 C ATOM 117 O THR A 8 -2.006 4.769 -4.951 1.00 0.00 O ATOM 118 CB THR A 8 -2.904 6.785 -6.784 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.971 8.150 -7.170 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.566 5.969 -7.873 1.00 0.00 C ATOM 0 H THR A 8 -2.068 7.677 -4.369 1.00 0.00 H new ATOM 0 HA THR A 8 -4.614 6.630 -5.480 1.00 0.00 H new ATOM 0 HB THR A 8 -1.871 6.453 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.103 8.432 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.074 6.166 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.484 4.909 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.618 6.244 -7.945 1.00 0.00 H new ATOM 128 N VAL A 9 -4.143 4.492 -4.288 1.00 0.00 N ATOM 129 CA VAL A 9 -3.916 3.156 -3.728 1.00 0.00 C ATOM 130 C VAL A 9 -4.935 2.140 -4.252 1.00 0.00 C ATOM 131 O VAL A 9 -6.122 2.222 -3.942 1.00 0.00 O ATOM 132 CB VAL A 9 -3.960 3.185 -2.182 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.332 3.617 -1.677 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.567 1.833 -1.599 1.00 0.00 C ATOM 0 H VAL A 9 -5.103 4.827 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.923 2.844 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.233 3.923 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.332 3.628 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.559 4.616 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.088 2.917 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.606 1.881 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.259 1.069 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.555 1.581 -1.915 1.00 0.00 H new ATOM 144 N GLN A 10 -4.461 1.181 -5.048 1.00 0.00 N ATOM 145 CA GLN A 10 -5.335 0.150 -5.610 1.00 0.00 C ATOM 146 C GLN A 10 -4.775 -1.250 -5.374 1.00 0.00 C ATOM 147 O GLN A 10 -3.602 -1.415 -5.029 1.00 0.00 O ATOM 148 CB GLN A 10 -5.546 0.370 -7.112 1.00 0.00 C ATOM 149 CG GLN A 10 -4.308 0.861 -7.846 1.00 0.00 C ATOM 150 CD GLN A 10 -4.423 2.308 -8.302 1.00 0.00 C ATOM 151 OE1 GLN A 10 -5.089 3.142 -7.508 1.00 0.00 O flip ATOM 152 NE2 GLN A 10 -3.923 2.671 -9.367 1.00 0.00 N flip ATOM 0 H GLN A 10 -3.481 1.096 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.294 0.231 -5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.876 -0.566 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.350 1.092 -7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.441 0.759 -7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.130 0.225 -8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.420 2.001 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.012 3.642 -9.668 1.00 0.00 H new ATOM 161 N PHE A 11 -5.626 -2.257 -5.568 1.00 0.00 N ATOM 162 CA PHE A 11 -5.229 -3.649 -5.381 1.00 0.00 C ATOM 163 C PHE A 11 -5.539 -4.482 -6.620 1.00 0.00 C ATOM 164 O PHE A 11 -6.650 -4.428 -7.156 1.00 0.00 O ATOM 165 CB PHE A 11 -5.944 -4.252 -4.172 1.00 0.00 C ATOM 166 CG PHE A 11 -5.888 -3.394 -2.939 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.849 -3.528 -2.032 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.876 -2.456 -2.687 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.796 -2.741 -0.896 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.830 -1.667 -1.553 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.788 -1.809 -0.658 1.00 0.00 C ATOM 0 H PHE A 11 -6.597 -2.133 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.153 -3.664 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.988 -4.430 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.501 -5.222 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.072 -4.255 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.692 -2.340 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.981 -2.855 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.608 -0.941 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.748 -1.192 0.227 1.00 0.00 H new ATOM 181 N ALA A 12 -4.553 -5.256 -7.064 1.00 0.00 N ATOM 182 CA ALA A 12 -4.709 -6.112 -8.239 1.00 0.00 C ATOM 183 C ALA A 12 -4.077 -7.486 -8.019 1.00 0.00 C ATOM 184 O ALA A 12 -3.113 -7.625 -7.263 1.00 0.00 O ATOM 185 CB ALA A 12 -4.103 -5.445 -9.466 1.00 0.00 C ATOM 0 H ALA A 12 -3.633 -5.309 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.777 -6.257 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.227 -6.095 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.606 -4.496 -9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.041 -5.266 -9.296 1.00 0.00 H new ATOM 191 N GLY A 13 -4.624 -8.497 -8.694 1.00 0.00 N ATOM 192 CA GLY A 13 -4.105 -9.849 -8.574 1.00 0.00 C ATOM 193 C GLY A 13 -4.720 -10.611 -7.416 1.00 0.00 C ATOM 194 O GLY A 13 -5.792 -11.202 -7.556 1.00 0.00 O ATOM 0 H GLY A 13 -5.421 -8.401 -9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.294 -10.390 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.024 -9.809 -8.444 1.00 0.00 H new ATOM 198 N GLY A 14 -4.039 -10.595 -6.272 1.00 0.00 N ATOM 199 CA GLY A 14 -4.536 -11.289 -5.095 1.00 0.00 C ATOM 200 C GLY A 14 -4.378 -10.474 -3.818 1.00 0.00 C ATOM 201 O GLY A 14 -4.238 -11.042 -2.734 1.00 0.00 O ATOM 0 H GLY A 14 -3.150 -10.113 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.589 -11.530 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.005 -12.234 -4.985 1.00 0.00 H new ATOM 205 N CYS A 15 -4.400 -9.144 -3.947 1.00 0.00 N ATOM 206 CA CYS A 15 -4.255 -8.254 -2.791 1.00 0.00 C ATOM 207 C CYS A 15 -5.567 -7.533 -2.466 1.00 0.00 C ATOM 208 O CYS A 15 -5.814 -7.177 -1.313 1.00 0.00 O ATOM 209 CB CYS A 15 -3.141 -7.232 -3.044 1.00 0.00 C ATOM 210 SG CYS A 15 -1.724 -7.388 -1.929 1.00 0.00 S ATOM 0 H CYS A 15 -4.516 -8.661 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.990 -8.869 -1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.794 -7.337 -4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.555 -6.228 -2.949 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.624 -7.203 -2.597 1.00 0.00 H new ATOM 216 N GLU A 16 -6.406 -7.323 -3.483 1.00 0.00 N ATOM 217 CA GLU A 16 -7.693 -6.647 -3.298 1.00 0.00 C ATOM 218 C GLU A 16 -8.556 -7.372 -2.262 1.00 0.00 C ATOM 219 O GLU A 16 -9.342 -6.743 -1.552 1.00 0.00 O ATOM 220 CB GLU A 16 -8.433 -6.535 -4.638 1.00 0.00 C ATOM 221 CG GLU A 16 -8.851 -7.871 -5.236 1.00 0.00 C ATOM 222 CD GLU A 16 -7.732 -8.531 -6.020 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.493 -8.123 -7.175 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.090 -9.453 -5.474 1.00 0.00 O ATOM 0 H GLU A 16 -6.218 -7.611 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.498 -5.643 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.321 -5.919 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.793 -6.015 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.173 -8.538 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.709 -7.720 -5.891 1.00 0.00 H new ATOM 231 N LEU A 17 -8.395 -8.692 -2.173 1.00 0.00 N ATOM 232 CA LEU A 17 -9.150 -9.501 -1.214 1.00 0.00 C ATOM 233 C LEU A 17 -8.728 -9.214 0.232 1.00 0.00 C ATOM 234 O LEU A 17 -9.417 -9.615 1.172 1.00 0.00 O ATOM 235 CB LEU A 17 -8.963 -10.995 -1.504 1.00 0.00 C ATOM 236 CG LEU A 17 -8.992 -11.393 -2.982 1.00 0.00 C ATOM 237 CD1 LEU A 17 -7.603 -11.803 -3.449 1.00 0.00 C ATOM 238 CD2 LEU A 17 -9.991 -12.520 -3.210 1.00 0.00 C ATOM 0 H LEU A 17 -7.748 -9.225 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.200 -9.231 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.010 -11.312 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.744 -11.548 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.310 -10.530 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.641 -12.083 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.915 -10.968 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.257 -12.652 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.999 -12.791 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.703 -13.387 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.986 -12.190 -2.912 1.00 0.00 H new ATOM 250 N LEU A 18 -7.593 -8.530 0.413 1.00 0.00 N ATOM 251 CA LEU A 18 -7.092 -8.213 1.752 1.00 0.00 C ATOM 252 C LEU A 18 -7.723 -6.932 2.318 1.00 0.00 C ATOM 253 O LEU A 18 -7.245 -6.396 3.321 1.00 0.00 O ATOM 254 CB LEU A 18 -5.566 -8.067 1.732 1.00 0.00 C ATOM 255 CG LEU A 18 -4.799 -9.192 1.028 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.302 -8.920 1.075 1.00 0.00 C ATOM 257 CD2 LEU A 18 -5.115 -10.541 1.661 1.00 0.00 C ATOM 0 H LEU A 18 -7.007 -8.187 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.374 -9.042 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.316 -7.123 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.212 -8.000 2.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.116 -9.223 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.770 -9.727 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.088 -7.976 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.975 -8.862 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.559 -11.324 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.829 -10.526 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.184 -10.740 1.579 1.00 0.00 H new ATOM 269 N PHE A 19 -8.795 -6.449 1.687 1.00 0.00 N ATOM 270 CA PHE A 19 -9.476 -5.242 2.142 1.00 0.00 C ATOM 271 C PHE A 19 -10.980 -5.386 1.949 1.00 0.00 C ATOM 272 O PHE A 19 -11.742 -5.369 2.913 1.00 0.00 O ATOM 273 CB PHE A 19 -8.949 -4.020 1.380 1.00 0.00 C ATOM 274 CG PHE A 19 -9.064 -2.732 2.148 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.302 -2.149 2.375 1.00 0.00 C ATOM 276 CD2 PHE A 19 -7.933 -2.107 2.645 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.406 -0.966 3.082 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.031 -0.925 3.353 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.268 -0.354 3.571 1.00 0.00 C ATOM 0 H PHE A 19 -9.208 -6.878 0.859 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.275 -5.100 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.903 -4.187 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.497 -3.924 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.194 -2.625 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.962 -2.549 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.375 -0.521 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.141 -0.448 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.347 0.571 4.123 1.00 0.00 H new ATOM 289 N ALA A 20 -11.393 -5.544 0.693 1.00 0.00 N ATOM 290 CA ALA A 20 -12.805 -5.712 0.360 1.00 0.00 C ATOM 291 C ALA A 20 -12.997 -5.902 -1.146 1.00 0.00 C ATOM 292 O ALA A 20 -13.973 -5.417 -1.721 1.00 0.00 O ATOM 293 CB ALA A 20 -13.615 -4.520 0.859 1.00 0.00 C ATOM 0 H ALA A 20 -10.767 -5.559 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.166 -6.611 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.665 -4.661 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.513 -4.438 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.246 -3.608 0.390 1.00 0.00 H new ATOM 299 N LYS A 21 -12.053 -6.607 -1.783 1.00 0.00 N ATOM 300 CA LYS A 21 -12.104 -6.854 -3.225 1.00 0.00 C ATOM 301 C LYS A 21 -12.333 -5.548 -3.998 1.00 0.00 C ATOM 302 O LYS A 21 -12.958 -5.544 -5.061 1.00 0.00 O ATOM 303 CB LYS A 21 -13.204 -7.872 -3.558 1.00 0.00 C ATOM 304 CG LYS A 21 -13.203 -9.095 -2.649 1.00 0.00 C ATOM 305 CD LYS A 21 -14.154 -8.921 -1.474 1.00 0.00 C ATOM 306 CE LYS A 21 -14.599 -10.263 -0.911 1.00 0.00 C ATOM 307 NZ LYS A 21 -13.559 -10.877 -0.039 1.00 0.00 N ATOM 0 H LYS A 21 -11.243 -7.017 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.143 -7.267 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.174 -7.380 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.084 -8.198 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.491 -9.976 -3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.194 -9.272 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.664 -8.342 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.027 -8.352 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.518 -10.129 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.830 -10.942 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.904 -11.789 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.690 -11.029 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.356 -10.242 0.759 1.00 0.00 H new ATOM 321 N GLN A 22 -11.818 -4.443 -3.452 1.00 0.00 N ATOM 322 CA GLN A 22 -11.960 -3.137 -4.079 1.00 0.00 C ATOM 323 C GLN A 22 -10.969 -2.968 -5.227 1.00 0.00 C ATOM 324 O GLN A 22 -10.102 -3.816 -5.443 1.00 0.00 O ATOM 325 CB GLN A 22 -11.751 -2.028 -3.043 1.00 0.00 C ATOM 326 CG GLN A 22 -13.036 -1.333 -2.632 1.00 0.00 C ATOM 327 CD GLN A 22 -13.429 -0.218 -3.584 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.983 -0.469 -4.654 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.145 1.023 -3.201 1.00 0.00 N ATOM 0 H GLN A 22 -11.298 -4.433 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.969 -3.066 -4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.278 -2.453 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.061 -1.288 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.842 -2.066 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.918 -0.924 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.685 1.188 -2.306 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.387 1.810 -3.802 1.00 0.00 H new ATOM 338 N THR A 23 -11.100 -1.864 -5.959 1.00 0.00 N ATOM 339 CA THR A 23 -10.211 -1.582 -7.080 1.00 0.00 C ATOM 340 C THR A 23 -9.162 -0.541 -6.691 1.00 0.00 C ATOM 341 O THR A 23 -8.004 -0.886 -6.458 1.00 0.00 O ATOM 342 CB THR A 23 -11.017 -1.117 -8.303 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.793 0.032 -7.996 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.959 -2.177 -8.838 1.00 0.00 C ATOM 0 H THR A 23 -11.812 -1.152 -5.795 1.00 0.00 H new ATOM 0 HA THR A 23 -9.690 -2.502 -7.345 1.00 0.00 H new ATOM 0 HB THR A 23 -10.272 -0.894 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.295 0.309 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.497 -1.784 -9.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.387 -3.055 -9.137 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.672 -2.455 -8.062 1.00 0.00 H new ATOM 352 N SER A 24 -9.568 0.728 -6.618 1.00 0.00 N ATOM 353 CA SER A 24 -8.651 1.806 -6.251 1.00 0.00 C ATOM 354 C SER A 24 -9.250 2.702 -5.169 1.00 0.00 C ATOM 355 O SER A 24 -10.471 2.766 -5.007 1.00 0.00 O ATOM 356 CB SER A 24 -8.301 2.644 -7.483 1.00 0.00 C ATOM 357 OG SER A 24 -9.449 3.282 -8.017 1.00 0.00 O ATOM 0 H SER A 24 -10.523 1.033 -6.808 1.00 0.00 H new ATOM 0 HA SER A 24 -7.744 1.351 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.557 3.394 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.851 2.006 -8.243 1.00 0.00 H new ATOM 0 HG SER A 24 -9.194 3.811 -8.802 1.00 0.00 H new ATOM 363 N LEU A 25 -8.379 3.392 -4.430 1.00 0.00 N ATOM 364 CA LEU A 25 -8.815 4.287 -3.359 1.00 0.00 C ATOM 365 C LEU A 25 -8.028 5.600 -3.378 1.00 0.00 C ATOM 366 O LEU A 25 -6.929 5.669 -3.932 1.00 0.00 O ATOM 367 CB LEU A 25 -8.645 3.603 -2.000 1.00 0.00 C ATOM 368 CG LEU A 25 -9.927 3.019 -1.399 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.029 1.532 -1.701 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.973 3.268 0.102 1.00 0.00 C ATOM 0 H LEU A 25 -7.368 3.347 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.868 4.516 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.913 2.802 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.229 4.325 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.781 3.519 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.946 1.134 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.044 1.380 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.171 1.014 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.890 2.847 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.113 2.795 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.949 4.341 0.294 1.00 0.00 H new ATOM 382 N GLN A 26 -8.599 6.638 -2.764 1.00 0.00 N ATOM 383 CA GLN A 26 -7.959 7.947 -2.704 1.00 0.00 C ATOM 384 C GLN A 26 -7.939 8.481 -1.272 1.00 0.00 C ATOM 385 O GLN A 26 -8.967 8.499 -0.593 1.00 0.00 O ATOM 386 CB GLN A 26 -8.681 8.939 -3.623 1.00 0.00 C ATOM 387 CG GLN A 26 -7.845 9.387 -4.813 1.00 0.00 C ATOM 388 CD GLN A 26 -8.686 9.882 -5.977 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.864 10.202 -5.819 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.080 9.949 -7.157 1.00 0.00 N ATOM 0 H GLN A 26 -9.507 6.594 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.930 7.833 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.600 8.481 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.970 9.815 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.169 10.182 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.225 8.556 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.102 9.674 -7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.593 10.276 -7.976 1.00 0.00 H new ATOM 399 N LEU A 27 -6.761 8.914 -0.825 1.00 0.00 N ATOM 400 CA LEU A 27 -6.597 9.449 0.524 1.00 0.00 C ATOM 401 C LEU A 27 -6.339 10.955 0.480 1.00 0.00 C ATOM 402 O LEU A 27 -5.599 11.442 -0.378 1.00 0.00 O ATOM 403 CB LEU A 27 -5.437 8.748 1.242 1.00 0.00 C ATOM 404 CG LEU A 27 -5.403 7.223 1.100 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.968 6.716 1.149 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.239 6.566 2.187 1.00 0.00 C ATOM 0 H LEU A 27 -5.905 8.904 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.520 9.265 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.499 9.152 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.485 8.996 2.302 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.830 6.958 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.962 5.631 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.397 7.161 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.516 6.993 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.203 5.483 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.843 6.838 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.272 6.905 2.107 1.00 0.00 H new ATOM 504 N THR A 35 5.402 11.620 6.132 1.00 0.00 N ATOM 505 CA THR A 35 4.883 10.258 6.225 1.00 0.00 C ATOM 506 C THR A 35 5.542 9.358 5.184 1.00 0.00 C ATOM 507 O THR A 35 5.572 9.687 3.996 1.00 0.00 O ATOM 508 CB THR A 35 3.363 10.252 6.034 1.00 0.00 C ATOM 509 OG1 THR A 35 2.750 11.259 6.822 1.00 0.00 O ATOM 510 CG2 THR A 35 2.718 8.929 6.396 1.00 0.00 C ATOM 0 HA THR A 35 5.117 9.872 7.217 1.00 0.00 H new ATOM 0 HB THR A 35 3.208 10.436 4.971 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.337 12.043 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.642 8.994 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.130 8.139 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.918 8.701 7.443 1.00 0.00 H new ATOM 518 N ASN A 36 6.068 8.222 5.640 1.00 0.00 N ATOM 519 CA ASN A 36 6.730 7.264 4.757 1.00 0.00 C ATOM 520 C ASN A 36 5.836 6.053 4.493 1.00 0.00 C ATOM 521 O ASN A 36 4.746 5.941 5.059 1.00 0.00 O ATOM 522 CB ASN A 36 8.068 6.816 5.363 1.00 0.00 C ATOM 523 CG ASN A 36 7.937 6.344 6.802 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.172 5.426 7.098 1.00 0.00 O ATOM 525 ND2 ASN A 36 8.685 6.972 7.703 1.00 0.00 N ATOM 0 H ASN A 36 6.048 7.942 6.621 1.00 0.00 H new ATOM 0 HA ASN A 36 6.922 7.758 3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.483 6.010 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.776 7.644 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.639 6.698 8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.306 7.728 7.413 1.00 0.00 H new ATOM 532 N LEU A 37 6.302 5.151 3.628 1.00 0.00 N ATOM 533 CA LEU A 37 5.542 3.948 3.286 1.00 0.00 C ATOM 534 C LEU A 37 5.225 3.111 4.522 1.00 0.00 C ATOM 535 O LEU A 37 4.111 2.607 4.660 1.00 0.00 O ATOM 536 CB LEU A 37 6.309 3.099 2.271 1.00 0.00 C ATOM 537 CG LEU A 37 5.488 1.989 1.612 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.818 1.896 0.132 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.732 0.654 2.309 1.00 0.00 C ATOM 0 H LEU A 37 7.201 5.230 3.152 1.00 0.00 H new ATOM 0 HA LEU A 37 4.600 4.274 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.700 3.754 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.168 2.649 2.770 1.00 0.00 H new ATOM 0 HG LEU A 37 4.430 2.233 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.226 1.102 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.587 2.845 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.878 1.675 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.139 -0.123 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.789 0.397 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.442 0.732 3.357 1.00 0.00 H new ATOM 551 N ASN A 38 6.204 2.971 5.419 1.00 0.00 N ATOM 552 CA ASN A 38 6.014 2.198 6.648 1.00 0.00 C ATOM 553 C ASN A 38 4.807 2.718 7.421 1.00 0.00 C ATOM 554 O ASN A 38 4.052 1.944 8.013 1.00 0.00 O ATOM 555 CB ASN A 38 7.266 2.265 7.527 1.00 0.00 C ATOM 556 CG ASN A 38 8.364 1.333 7.045 1.00 0.00 C ATOM 557 OD1 ASN A 38 8.005 0.086 6.752 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 9.524 1.728 6.939 1.00 0.00 N flip ATOM 0 H ASN A 38 7.132 3.381 5.318 1.00 0.00 H new ATOM 0 HA ASN A 38 5.837 1.158 6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.642 3.288 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.000 2.009 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.758 2.693 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.252 1.091 6.616 1.00 0.00 H new ATOM 565 N GLY A 39 4.626 4.036 7.390 1.00 0.00 N ATOM 566 CA GLY A 39 3.505 4.656 8.064 1.00 0.00 C ATOM 567 C GLY A 39 2.218 4.532 7.269 1.00 0.00 C ATOM 568 O GLY A 39 1.134 4.452 7.848 1.00 0.00 O ATOM 0 H GLY A 39 5.243 4.688 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.371 4.195 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.724 5.710 8.235 1.00 0.00 H new ATOM 572 N LEU A 40 2.332 4.510 5.937 1.00 0.00 N ATOM 573 CA LEU A 40 1.160 4.388 5.075 1.00 0.00 C ATOM 574 C LEU A 40 0.551 2.991 5.177 1.00 0.00 C ATOM 575 O LEU A 40 -0.649 2.849 5.418 1.00 0.00 O ATOM 576 CB LEU A 40 1.518 4.707 3.619 1.00 0.00 C ATOM 577 CG LEU A 40 0.322 4.814 2.668 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.485 6.070 2.962 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.787 4.799 1.218 1.00 0.00 C ATOM 0 H LEU A 40 3.219 4.575 5.438 1.00 0.00 H new ATOM 0 HA LEU A 40 0.419 5.112 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.069 5.647 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.190 3.934 3.248 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.322 3.950 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.330 6.128 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.852 6.035 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.148 6.948 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.077 4.876 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.455 5.642 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.317 3.868 1.015 1.00 0.00 H new ATOM 591 N VAL A 41 1.382 1.963 4.997 1.00 0.00 N ATOM 592 CA VAL A 41 0.913 0.579 5.076 1.00 0.00 C ATOM 593 C VAL A 41 0.267 0.300 6.429 1.00 0.00 C ATOM 594 O VAL A 41 -0.894 -0.092 6.496 1.00 0.00 O ATOM 595 CB VAL A 41 2.038 -0.456 4.830 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.205 -0.716 3.341 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.357 -0.021 5.456 1.00 0.00 C ATOM 0 H VAL A 41 2.377 2.062 4.797 1.00 0.00 H new ATOM 0 HA VAL A 41 0.177 0.468 4.280 1.00 0.00 H new ATOM 0 HB VAL A 41 1.742 -1.386 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.000 -1.446 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.272 -1.104 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.463 0.215 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.119 -0.775 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.668 0.930 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.229 0.094 6.532 1.00 0.00 H new ATOM 607 N GLN A 42 1.020 0.518 7.506 1.00 0.00 N ATOM 608 CA GLN A 42 0.512 0.300 8.862 1.00 0.00 C ATOM 609 C GLN A 42 -0.826 1.019 9.082 1.00 0.00 C ATOM 610 O GLN A 42 -1.650 0.577 9.885 1.00 0.00 O ATOM 611 CB GLN A 42 1.539 0.772 9.894 1.00 0.00 C ATOM 612 CG GLN A 42 1.304 0.207 11.286 1.00 0.00 C ATOM 613 CD GLN A 42 2.594 -0.191 11.981 1.00 0.00 C ATOM 614 OE1 GLN A 42 3.229 0.625 12.647 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.985 -1.451 11.826 1.00 0.00 N ATOM 0 H GLN A 42 1.985 0.846 7.467 1.00 0.00 H new ATOM 0 HA GLN A 42 0.343 -0.770 8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.536 0.487 9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.518 1.861 9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.783 0.949 11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.651 -0.663 11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.426 -2.093 11.264 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.844 -1.776 12.269 1.00 0.00 H new ATOM 624 N LEU A 43 -1.035 2.127 8.367 1.00 0.00 N ATOM 625 CA LEU A 43 -2.268 2.905 8.485 1.00 0.00 C ATOM 626 C LEU A 43 -3.432 2.260 7.719 1.00 0.00 C ATOM 627 O LEU A 43 -4.593 2.458 8.076 1.00 0.00 O ATOM 628 CB LEU A 43 -2.040 4.334 7.978 1.00 0.00 C ATOM 629 CG LEU A 43 -3.128 5.345 8.354 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.775 6.056 9.653 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.327 6.352 7.229 1.00 0.00 C ATOM 0 H LEU A 43 -0.364 2.505 7.699 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.539 2.928 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.086 4.691 8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.953 4.307 6.892 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.063 4.805 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.560 6.770 9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.682 5.324 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.829 6.585 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.103 7.064 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.394 6.885 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.627 5.829 6.321 1.00 0.00 H new ATOM 643 N LEU A 44 -3.124 1.495 6.664 1.00 0.00 N ATOM 644 CA LEU A 44 -4.169 0.846 5.867 1.00 0.00 C ATOM 645 C LEU A 44 -4.402 -0.608 6.288 1.00 0.00 C ATOM 646 O LEU A 44 -5.540 -1.073 6.281 1.00 0.00 O ATOM 647 CB LEU A 44 -3.859 0.937 4.363 1.00 0.00 C ATOM 648 CG LEU A 44 -2.547 0.289 3.898 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.713 -1.215 3.737 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.082 0.916 2.590 1.00 0.00 C ATOM 0 H LEU A 44 -2.172 1.313 6.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.094 1.389 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.681 0.476 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.839 1.990 4.081 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.789 0.467 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.770 -1.652 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.001 -1.654 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.486 -1.418 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.151 0.447 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.843 0.767 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.919 1.984 2.736 1.00 0.00 H new ATOM 662 N LYS A 45 -3.338 -1.328 6.648 1.00 0.00 N ATOM 663 CA LYS A 45 -3.478 -2.722 7.060 1.00 0.00 C ATOM 664 C LYS A 45 -3.804 -2.834 8.551 1.00 0.00 C ATOM 665 O LYS A 45 -4.915 -3.208 8.914 1.00 0.00 O ATOM 666 CB LYS A 45 -2.229 -3.543 6.708 1.00 0.00 C ATOM 667 CG LYS A 45 -0.908 -2.804 6.867 1.00 0.00 C ATOM 668 CD LYS A 45 0.212 -3.738 7.297 1.00 0.00 C ATOM 669 CE LYS A 45 1.120 -3.080 8.323 1.00 0.00 C ATOM 670 NZ LYS A 45 2.225 -3.983 8.745 1.00 0.00 N ATOM 0 H LYS A 45 -2.382 -0.973 6.662 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.316 -3.140 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.208 -4.433 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.316 -3.884 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.642 -2.327 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.022 -2.009 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.213 -4.649 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.798 -4.032 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.539 -2.165 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.533 -2.792 9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.822 -3.498 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.826 -4.845 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.800 -4.238 7.917 1.00 0.00 H new ATOM 684 N THR A 46 -2.847 -2.501 9.416 1.00 0.00 N ATOM 685 CA THR A 46 -3.072 -2.575 10.863 1.00 0.00 C ATOM 686 C THR A 46 -4.308 -1.771 11.289 1.00 0.00 C ATOM 687 O THR A 46 -4.895 -2.044 12.336 1.00 0.00 O ATOM 688 CB THR A 46 -1.837 -2.080 11.628 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.658 -2.690 11.126 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.897 -2.357 13.118 1.00 0.00 C ATOM 0 H THR A 46 -1.917 -2.180 9.146 1.00 0.00 H new ATOM 0 HA THR A 46 -3.250 -3.622 11.109 1.00 0.00 H new ATOM 0 HB THR A 46 -1.821 -1.001 11.478 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.002 -2.768 11.846 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.992 -1.980 13.595 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.767 -1.859 13.546 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.975 -3.431 13.286 1.00 0.00 H new ATOM 698 N ASN A 47 -4.694 -0.777 10.483 1.00 0.00 N ATOM 699 CA ASN A 47 -5.849 0.060 10.799 1.00 0.00 C ATOM 700 C ASN A 47 -7.085 -0.293 9.957 1.00 0.00 C ATOM 701 O ASN A 47 -8.207 0.053 10.337 1.00 0.00 O ATOM 702 CB ASN A 47 -5.489 1.536 10.604 1.00 0.00 C ATOM 703 CG ASN A 47 -5.575 2.340 11.891 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.638 1.779 12.986 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.575 3.662 11.768 1.00 0.00 N ATOM 0 H ASN A 47 -4.224 -0.535 9.611 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.108 -0.128 11.841 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.478 1.608 10.203 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.158 1.973 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.628 4.251 12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.521 4.088 10.843 1.00 0.00 H new ATOM 712 N TYR A 48 -6.890 -0.958 8.813 1.00 0.00 N ATOM 713 CA TYR A 48 -8.012 -1.318 7.940 1.00 0.00 C ATOM 714 C TYR A 48 -7.761 -2.636 7.191 1.00 0.00 C ATOM 715 O TYR A 48 -7.960 -2.717 5.976 1.00 0.00 O ATOM 716 CB TYR A 48 -8.268 -0.187 6.940 1.00 0.00 C ATOM 717 CG TYR A 48 -9.515 0.621 7.220 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.779 0.065 7.061 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.427 1.943 7.631 1.00 0.00 C ATOM 720 CE1 TYR A 48 -11.918 0.806 7.305 1.00 0.00 C ATOM 721 CE2 TYR A 48 -10.561 2.692 7.876 1.00 0.00 C ATOM 722 CZ TYR A 48 -11.805 2.119 7.711 1.00 0.00 C ATOM 723 OH TYR A 48 -12.938 2.863 7.947 1.00 0.00 O ATOM 0 H TYR A 48 -5.976 -1.255 8.473 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.890 -1.464 8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.408 0.483 6.939 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.342 -0.613 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.871 -0.963 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.455 2.394 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.893 0.359 7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.474 3.720 8.195 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.683 3.767 8.227 1.00 0.00 H new ATOM 733 N VAL A 49 -7.331 -3.663 7.918 1.00 0.00 N ATOM 734 CA VAL A 49 -7.060 -4.971 7.315 1.00 0.00 C ATOM 735 C VAL A 49 -8.276 -5.892 7.421 1.00 0.00 C ATOM 736 O VAL A 49 -8.874 -6.025 8.491 1.00 0.00 O ATOM 737 CB VAL A 49 -5.832 -5.661 7.958 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.040 -5.876 9.453 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.523 -6.979 7.264 1.00 0.00 C ATOM 0 H VAL A 49 -7.162 -3.619 8.923 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.840 -4.788 6.263 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.976 -4.999 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.161 -6.362 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.193 -4.914 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.915 -6.506 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.656 -7.444 7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.382 -7.645 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.309 -6.794 6.211 1.00 0.00 H new ATOM 749 N LYS A 50 -8.633 -6.527 6.305 1.00 0.00 N ATOM 750 CA LYS A 50 -9.775 -7.439 6.273 1.00 0.00 C ATOM 751 C LYS A 50 -9.332 -8.873 5.978 1.00 0.00 C ATOM 752 O LYS A 50 -10.064 -9.643 5.354 1.00 0.00 O ATOM 753 CB LYS A 50 -10.795 -6.968 5.232 1.00 0.00 C ATOM 754 CG LYS A 50 -12.010 -6.290 5.844 1.00 0.00 C ATOM 755 CD LYS A 50 -13.301 -6.771 5.198 1.00 0.00 C ATOM 756 CE LYS A 50 -14.508 -6.488 6.079 1.00 0.00 C ATOM 757 NZ LYS A 50 -14.636 -7.474 7.189 1.00 0.00 N ATOM 0 H LYS A 50 -8.149 -6.427 5.413 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.243 -7.432 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.309 -6.275 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.124 -7.824 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.040 -6.492 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.923 -5.210 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.431 -6.280 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.234 -7.842 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.425 -5.484 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.413 -6.508 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.471 -7.243 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.741 -8.430 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.785 -7.438 7.785 1.00 0.00 H new ATOM 771 N GLU A 51 -8.134 -9.228 6.439 1.00 0.00 N ATOM 772 CA GLU A 51 -7.591 -10.568 6.237 1.00 0.00 C ATOM 773 C GLU A 51 -6.428 -10.826 7.199 1.00 0.00 C ATOM 774 O GLU A 51 -6.169 -10.023 8.095 1.00 0.00 O ATOM 775 CB GLU A 51 -7.134 -10.746 4.782 1.00 0.00 C ATOM 776 CG GLU A 51 -7.521 -12.090 4.174 1.00 0.00 C ATOM 777 CD GLU A 51 -9.022 -12.283 4.083 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.608 -11.897 3.050 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.613 -12.821 5.046 1.00 0.00 O ATOM 0 H GLU A 51 -7.519 -8.601 6.958 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.377 -11.294 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.562 -9.947 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.051 -10.635 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.088 -12.171 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.092 -12.892 4.774 1.00 0.00 H new ATOM 786 N ARG A 52 -5.729 -11.949 7.011 1.00 0.00 N ATOM 787 CA ARG A 52 -4.599 -12.300 7.868 1.00 0.00 C ATOM 788 C ARG A 52 -3.457 -11.293 7.707 1.00 0.00 C ATOM 789 O ARG A 52 -2.815 -11.243 6.660 1.00 0.00 O ATOM 790 CB ARG A 52 -4.099 -13.714 7.544 1.00 0.00 C ATOM 791 CG ARG A 52 -3.365 -14.388 8.694 1.00 0.00 C ATOM 792 CD ARG A 52 -3.493 -15.902 8.627 1.00 0.00 C ATOM 793 NE ARG A 52 -2.208 -16.579 8.814 1.00 0.00 N ATOM 794 CZ ARG A 52 -2.080 -17.892 9.023 1.00 0.00 C ATOM 795 NH1 ARG A 52 -3.156 -18.675 9.067 1.00 0.00 N ATOM 796 NH2 ARG A 52 -0.875 -18.425 9.181 1.00 0.00 N ATOM 0 H ARG A 52 -5.927 -12.627 6.275 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.941 -12.273 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.949 -14.332 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.435 -13.665 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.312 -14.110 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.766 -14.030 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.193 -16.239 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.913 -16.186 7.662 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.360 -16.014 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.085 -18.273 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.051 -19.677 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.046 -17.832 9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.778 -19.428 9.341 1.00 0.00 H new ATOM 810 N PRO A 53 -3.183 -10.472 8.741 1.00 0.00 N ATOM 811 CA PRO A 53 -2.106 -9.473 8.688 1.00 0.00 C ATOM 812 C PRO A 53 -0.731 -10.100 8.463 1.00 0.00 C ATOM 813 O PRO A 53 0.195 -9.428 8.008 1.00 0.00 O ATOM 814 CB PRO A 53 -2.162 -8.792 10.059 1.00 0.00 C ATOM 815 CG PRO A 53 -2.926 -9.726 10.935 1.00 0.00 C ATOM 816 CD PRO A 53 -3.887 -10.451 10.035 1.00 0.00 C ATOM 0 HA PRO A 53 -2.245 -8.786 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.160 -8.616 10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.654 -7.822 9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.257 -10.426 11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.458 -9.181 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.096 -11.458 10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.843 -9.932 9.965 1.00 0.00 H new ATOM 824 N ASP A 54 -0.599 -11.390 8.785 1.00 0.00 N ATOM 825 CA ASP A 54 0.668 -12.097 8.617 1.00 0.00 C ATOM 826 C ASP A 54 0.778 -12.772 7.245 1.00 0.00 C ATOM 827 O ASP A 54 1.724 -13.523 6.999 1.00 0.00 O ATOM 828 CB ASP A 54 0.846 -13.140 9.722 1.00 0.00 C ATOM 829 CG ASP A 54 1.368 -12.538 11.014 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.203 -11.613 10.949 1.00 0.00 O ATOM 831 OD2 ASP A 54 0.936 -12.996 12.094 1.00 0.00 O ATOM 0 H ASP A 54 -1.354 -11.963 9.163 1.00 0.00 H new ATOM 0 HA ASP A 54 1.461 -11.352 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.110 -13.628 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.536 -13.912 9.380 1.00 0.00 H new ATOM 836 N LEU A 55 -0.179 -12.509 6.351 1.00 0.00 N ATOM 837 CA LEU A 55 -0.150 -13.107 5.018 1.00 0.00 C ATOM 838 C LEU A 55 0.540 -12.186 4.004 1.00 0.00 C ATOM 839 O LEU A 55 0.972 -12.642 2.945 1.00 0.00 O ATOM 840 CB LEU A 55 -1.571 -13.460 4.550 1.00 0.00 C ATOM 841 CG LEU A 55 -2.429 -12.287 4.064 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.178 -12.010 2.590 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.903 -12.573 4.309 1.00 0.00 C ATOM 0 H LEU A 55 -0.973 -11.893 6.525 1.00 0.00 H new ATOM 0 HA LEU A 55 0.433 -14.026 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.496 -14.188 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.092 -13.949 5.373 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.148 -11.399 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.797 -11.174 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.127 -11.763 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.429 -12.895 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.500 -11.731 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.194 -13.474 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.073 -12.719 5.376 1.00 0.00 H new ATOM 855 N LEU A 56 0.646 -10.895 4.336 1.00 0.00 N ATOM 856 CA LEU A 56 1.290 -9.928 3.444 1.00 0.00 C ATOM 857 C LEU A 56 2.701 -9.589 3.909 1.00 0.00 C ATOM 858 O LEU A 56 3.636 -9.598 3.112 1.00 0.00 O ATOM 859 CB LEU A 56 0.468 -8.635 3.324 1.00 0.00 C ATOM 860 CG LEU A 56 -0.217 -8.148 4.604 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.499 -6.655 4.520 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.509 -8.918 4.854 1.00 0.00 C ATOM 0 H LEU A 56 0.297 -10.499 5.209 1.00 0.00 H new ATOM 0 HA LEU A 56 1.347 -10.401 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.125 -7.843 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.297 -8.785 2.562 1.00 0.00 H new ATOM 0 HG LEU A 56 0.457 -8.330 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.986 -6.325 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.439 -6.114 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.152 -6.455 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.978 -8.555 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.189 -8.771 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.285 -9.980 4.958 1.00 0.00 H new ATOM 874 N VAL A 57 2.853 -9.276 5.195 1.00 0.00 N ATOM 875 CA VAL A 57 4.162 -8.923 5.744 1.00 0.00 C ATOM 876 C VAL A 57 5.183 -10.031 5.516 1.00 0.00 C ATOM 877 O VAL A 57 4.842 -11.215 5.488 1.00 0.00 O ATOM 878 CB VAL A 57 4.101 -8.612 7.253 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.529 -7.221 7.484 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.297 -9.671 7.995 1.00 0.00 C ATOM 0 H VAL A 57 2.091 -9.259 5.873 1.00 0.00 H new ATOM 0 HA VAL A 57 4.472 -8.024 5.212 1.00 0.00 H new ATOM 0 HB VAL A 57 5.115 -8.632 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.492 -7.016 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.162 -6.481 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.522 -7.168 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.269 -9.429 9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.281 -9.698 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.765 -10.646 7.857 1.00 0.00 H new ATOM 890 N ASP A 58 6.435 -9.629 5.353 1.00 0.00 N ATOM 891 CA ASP A 58 7.526 -10.570 5.128 1.00 0.00 C ATOM 892 C ASP A 58 7.807 -11.383 6.390 1.00 0.00 C ATOM 893 O ASP A 58 7.718 -12.611 6.377 1.00 0.00 O ATOM 894 CB ASP A 58 8.788 -9.822 4.689 1.00 0.00 C ATOM 895 CG ASP A 58 9.923 -10.758 4.323 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.662 -11.778 3.647 1.00 0.00 O ATOM 897 OD2 ASP A 58 11.074 -10.473 4.714 1.00 0.00 O ATOM 0 H ASP A 58 6.723 -8.651 5.372 1.00 0.00 H new ATOM 0 HA ASP A 58 7.229 -11.257 4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.552 -9.191 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.112 -9.161 5.493 1.00 0.00 H new ATOM 902 N GLN A 59 8.137 -10.688 7.481 1.00 0.00 N ATOM 903 CA GLN A 59 8.418 -11.352 8.755 1.00 0.00 C ATOM 904 C GLN A 59 8.453 -10.356 9.909 1.00 0.00 C ATOM 905 O GLN A 59 7.822 -10.575 10.944 1.00 0.00 O ATOM 906 CB GLN A 59 9.748 -12.107 8.689 1.00 0.00 C ATOM 907 CG GLN A 59 9.994 -13.005 9.892 1.00 0.00 C ATOM 908 CD GLN A 59 10.906 -12.367 10.923 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.448 -11.667 11.826 1.00 0.00 O ATOM 910 NE2 GLN A 59 12.207 -12.603 10.793 1.00 0.00 N ATOM 0 H GLN A 59 8.216 -9.671 7.508 1.00 0.00 H new ATOM 0 HA GLN A 59 7.610 -12.061 8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.769 -12.712 7.783 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.562 -11.387 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.040 -13.249 10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.434 -13.944 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.545 -13.189 10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.868 -12.198 11.456 1.00 0.00 H new ATOM 919 N THR A 60 9.193 -9.266 9.726 1.00 0.00 N ATOM 920 CA THR A 60 9.313 -8.237 10.754 1.00 0.00 C ATOM 921 C THR A 60 8.068 -7.340 10.808 1.00 0.00 C ATOM 922 O THR A 60 8.049 -6.346 11.536 1.00 0.00 O ATOM 923 CB THR A 60 10.561 -7.386 10.501 1.00 0.00 C ATOM 924 OG1 THR A 60 10.739 -7.158 9.113 1.00 0.00 O ATOM 925 CG2 THR A 60 11.834 -8.017 11.032 1.00 0.00 C ATOM 0 H THR A 60 9.719 -9.073 8.874 1.00 0.00 H new ATOM 0 HA THR A 60 9.403 -8.739 11.717 1.00 0.00 H new ATOM 0 HB THR A 60 10.388 -6.452 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.540 -6.611 8.971 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.680 -7.363 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.747 -8.160 12.109 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.991 -8.981 10.549 1.00 0.00 H new ATOM 933 N GLY A 61 7.031 -7.692 10.038 1.00 0.00 N ATOM 934 CA GLY A 61 5.811 -6.901 10.025 1.00 0.00 C ATOM 935 C GLY A 61 6.056 -5.455 9.630 1.00 0.00 C ATOM 936 O GLY A 61 5.315 -4.559 10.038 1.00 0.00 O ATOM 0 H GLY A 61 7.018 -8.509 9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.100 -7.348 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.352 -6.931 11.013 1.00 0.00 H new ATOM 940 N GLN A 62 7.102 -5.233 8.835 1.00 0.00 N ATOM 941 CA GLN A 62 7.460 -3.889 8.376 1.00 0.00 C ATOM 942 C GLN A 62 7.475 -3.819 6.848 1.00 0.00 C ATOM 943 O GLN A 62 6.987 -2.853 6.260 1.00 0.00 O ATOM 944 CB GLN A 62 8.829 -3.485 8.939 1.00 0.00 C ATOM 945 CG GLN A 62 9.003 -1.983 9.127 1.00 0.00 C ATOM 946 CD GLN A 62 7.883 -1.351 9.937 1.00 0.00 C ATOM 947 OE1 GLN A 62 7.810 -1.686 11.221 1.00 0.00 O flip ATOM 948 NE2 GLN A 62 7.090 -0.568 9.411 1.00 0.00 N flip ATOM 0 H GLN A 62 7.720 -5.969 8.493 1.00 0.00 H new ATOM 0 HA GLN A 62 6.706 -3.191 8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.976 -3.980 9.899 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.608 -3.850 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.955 -1.793 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.052 -1.504 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.181 -0.337 8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.342 -0.150 9.965 1.00 0.00 H new ATOM 957 N THR A 63 8.026 -4.855 6.217 1.00 0.00 N ATOM 958 CA THR A 63 8.095 -4.932 4.761 1.00 0.00 C ATOM 959 C THR A 63 7.288 -6.129 4.271 1.00 0.00 C ATOM 960 O THR A 63 7.363 -7.209 4.855 1.00 0.00 O ATOM 961 CB THR A 63 9.553 -5.049 4.298 1.00 0.00 C ATOM 962 OG1 THR A 63 10.194 -6.158 4.910 1.00 0.00 O ATOM 963 CG2 THR A 63 10.376 -3.815 4.604 1.00 0.00 C ATOM 0 H THR A 63 8.434 -5.657 6.697 1.00 0.00 H new ATOM 0 HA THR A 63 7.673 -4.020 4.339 1.00 0.00 H new ATOM 0 HB THR A 63 9.501 -5.176 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.121 -6.213 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.397 -3.962 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.939 -2.952 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.385 -3.641 5.680 1.00 0.00 H new ATOM 971 N LEU A 64 6.507 -5.934 3.211 1.00 0.00 N ATOM 972 CA LEU A 64 5.680 -7.009 2.667 1.00 0.00 C ATOM 973 C LEU A 64 6.542 -8.119 2.071 1.00 0.00 C ATOM 974 O LEU A 64 7.688 -7.888 1.679 1.00 0.00 O ATOM 975 CB LEU A 64 4.712 -6.473 1.607 1.00 0.00 C ATOM 976 CG LEU A 64 3.548 -5.625 2.140 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.387 -5.652 1.159 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.093 -6.112 3.511 1.00 0.00 C ATOM 0 H LEU A 64 6.429 -5.047 2.714 1.00 0.00 H new ATOM 0 HA LEU A 64 5.101 -7.425 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.278 -5.874 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.300 -7.319 1.056 1.00 0.00 H new ATOM 0 HG LEU A 64 3.899 -4.599 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.568 -5.047 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.712 -5.249 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.048 -6.679 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.268 -5.492 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.763 -7.148 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.923 -6.044 4.215 1.00 0.00 H new ATOM 990 N ARG A 65 5.982 -9.325 2.012 1.00 0.00 N ATOM 991 CA ARG A 65 6.692 -10.484 1.470 1.00 0.00 C ATOM 992 C ARG A 65 6.933 -10.340 -0.037 1.00 0.00 C ATOM 993 O ARG A 65 6.253 -9.563 -0.710 1.00 0.00 O ATOM 994 CB ARG A 65 5.904 -11.770 1.753 1.00 0.00 C ATOM 995 CG ARG A 65 4.548 -11.829 1.063 1.00 0.00 C ATOM 996 CD ARG A 65 4.212 -13.245 0.615 1.00 0.00 C ATOM 997 NE ARG A 65 3.661 -14.049 1.709 1.00 0.00 N ATOM 998 CZ ARG A 65 4.127 -15.248 2.079 1.00 0.00 C ATOM 999 NH1 ARG A 65 5.157 -15.807 1.446 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.557 -15.892 3.091 1.00 0.00 N ATOM 0 H ARG A 65 5.035 -9.527 2.334 1.00 0.00 H new ATOM 0 HA ARG A 65 7.662 -10.539 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.499 -12.626 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.757 -11.865 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.776 -11.469 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.548 -11.163 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.494 -13.206 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.110 -13.726 0.228 1.00 0.00 H new ATOM 0 HE ARG A 65 2.867 -13.669 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.602 -15.321 0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.501 -16.721 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.768 -15.473 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.908 -16.806 3.377 1.00 0.00 H new ATOM 1014 N PRO A 66 7.908 -11.103 -0.585 1.00 0.00 N ATOM 1015 CA PRO A 66 8.245 -11.073 -2.020 1.00 0.00 C ATOM 1016 C PRO A 66 7.023 -11.254 -2.919 1.00 0.00 C ATOM 1017 O PRO A 66 6.960 -10.683 -4.009 1.00 0.00 O ATOM 1018 CB PRO A 66 9.198 -12.257 -2.182 1.00 0.00 C ATOM 1019 CG PRO A 66 9.825 -12.416 -0.843 1.00 0.00 C ATOM 1020 CD PRO A 66 8.757 -12.058 0.154 1.00 0.00 C ATOM 0 HA PRO A 66 8.670 -10.113 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.663 -13.159 -2.480 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.946 -12.062 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.173 -13.438 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.693 -11.765 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.193 -12.935 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.180 -11.608 1.052 1.00 0.00 H new ATOM 1028 N GLY A 67 6.055 -12.049 -2.452 1.00 0.00 N ATOM 1029 CA GLY A 67 4.841 -12.287 -3.219 1.00 0.00 C ATOM 1030 C GLY A 67 4.149 -10.999 -3.639 1.00 0.00 C ATOM 1031 O GLY A 67 3.535 -10.941 -4.706 1.00 0.00 O ATOM 0 H GLY A 67 6.093 -12.532 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.086 -12.869 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.152 -12.887 -2.624 1.00 0.00 H new ATOM 1035 N ILE A 68 4.262 -9.964 -2.805 1.00 0.00 N ATOM 1036 CA ILE A 68 3.655 -8.670 -3.106 1.00 0.00 C ATOM 1037 C ILE A 68 4.560 -7.846 -4.019 1.00 0.00 C ATOM 1038 O ILE A 68 5.784 -7.994 -3.996 1.00 0.00 O ATOM 1039 CB ILE A 68 3.369 -7.851 -1.826 1.00 0.00 C ATOM 1040 CG1 ILE A 68 2.716 -8.720 -0.748 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.486 -6.653 -2.151 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.438 -9.400 -1.195 1.00 0.00 C ATOM 0 H ILE A 68 4.767 -9.998 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 68 2.710 -8.881 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 68 4.321 -7.491 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.428 -9.481 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.500 -8.100 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.293 -6.086 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.991 -6.015 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.541 -7.000 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.037 -9.996 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.707 -8.646 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.649 -10.048 -2.046 1.00 0.00 H new ATOM 1054 N LEU A 69 3.948 -6.978 -4.818 1.00 0.00 N ATOM 1055 CA LEU A 69 4.690 -6.125 -5.741 1.00 0.00 C ATOM 1056 C LEU A 69 4.297 -4.662 -5.562 1.00 0.00 C ATOM 1057 O LEU A 69 3.263 -4.223 -6.071 1.00 0.00 O ATOM 1058 CB LEU A 69 4.444 -6.561 -7.191 1.00 0.00 C ATOM 1059 CG LEU A 69 5.675 -7.086 -7.939 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.728 -5.996 -8.076 1.00 0.00 C ATOM 1061 CD2 LEU A 69 6.253 -8.306 -7.234 1.00 0.00 C ATOM 0 H LEU A 69 2.937 -6.846 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 69 5.752 -6.229 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.680 -7.338 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.039 -5.713 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 69 5.363 -7.385 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.593 -6.390 -8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.311 -5.155 -8.631 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.035 -5.660 -7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.126 -8.663 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.546 -8.035 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.501 -9.094 -7.196 1.00 0.00 H new ATOM 1073 N VAL A 70 5.125 -3.913 -4.837 1.00 0.00 N ATOM 1074 CA VAL A 70 4.861 -2.495 -4.595 1.00 0.00 C ATOM 1075 C VAL A 70 5.375 -1.644 -5.754 1.00 0.00 C ATOM 1076 O VAL A 70 6.560 -1.685 -6.094 1.00 0.00 O ATOM 1077 CB VAL A 70 5.493 -2.002 -3.271 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.907 -2.751 -2.084 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.008 -2.143 -3.303 1.00 0.00 C ATOM 0 H VAL A 70 5.982 -4.262 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 70 3.780 -2.385 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 70 5.257 -0.944 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.365 -2.389 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.831 -2.584 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.105 -3.817 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.426 -1.789 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.273 -3.190 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.411 -1.550 -4.124 1.00 0.00 H new ATOM 1089 N LEU A 71 4.473 -0.880 -6.367 1.00 0.00 N ATOM 1090 CA LEU A 71 4.829 -0.026 -7.497 1.00 0.00 C ATOM 1091 C LEU A 71 4.293 1.390 -7.308 1.00 0.00 C ATOM 1092 O LEU A 71 3.150 1.582 -6.882 1.00 0.00 O ATOM 1093 CB LEU A 71 4.289 -0.617 -8.806 1.00 0.00 C ATOM 1094 CG LEU A 71 4.313 -2.146 -8.895 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.407 -2.631 -10.015 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.737 -2.647 -9.102 1.00 0.00 C ATOM 0 H LEU A 71 3.490 -0.835 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 71 5.917 0.022 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.262 -0.278 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.870 -0.212 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 71 3.940 -2.551 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.438 -3.720 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.385 -2.305 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.748 -2.217 -10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.735 -3.735 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.138 -2.233 -10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.359 -2.332 -8.264 1.00 0.00 H new ATOM 1108 N VAL A 72 5.124 2.379 -7.637 1.00 0.00 N ATOM 1109 CA VAL A 72 4.741 3.783 -7.517 1.00 0.00 C ATOM 1110 C VAL A 72 4.555 4.413 -8.894 1.00 0.00 C ATOM 1111 O VAL A 72 5.495 4.468 -9.691 1.00 0.00 O ATOM 1112 CB VAL A 72 5.779 4.601 -6.718 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.627 4.346 -5.226 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.199 4.292 -7.182 1.00 0.00 C ATOM 0 H VAL A 72 6.070 2.231 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 72 3.796 3.805 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 72 5.592 5.658 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.367 4.931 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.626 4.638 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.779 3.286 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.908 4.882 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.406 3.232 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.299 4.541 -8.239 1.00 0.00 H new ATOM 1124 N ASN A 73 3.337 4.884 -9.164 1.00 0.00 N ATOM 1125 CA ASN A 73 2.997 5.510 -10.445 1.00 0.00 C ATOM 1126 C ASN A 73 3.112 4.505 -11.592 1.00 0.00 C ATOM 1127 O ASN A 73 2.106 3.971 -12.058 1.00 0.00 O ATOM 1128 CB ASN A 73 3.888 6.734 -10.712 1.00 0.00 C ATOM 1129 CG ASN A 73 3.281 8.025 -10.190 1.00 0.00 C ATOM 1130 OD1 ASN A 73 2.098 8.081 -9.854 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.090 9.078 -10.124 1.00 0.00 N ATOM 0 H ASN A 73 2.560 4.843 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 73 1.962 5.846 -10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.861 6.579 -10.245 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.061 6.826 -11.784 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.736 9.973 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.065 8.991 -10.412 1.00 0.00 H new ATOM 1138 N SER A 74 4.343 4.247 -12.035 1.00 0.00 N ATOM 1139 CA SER A 74 4.592 3.301 -13.118 1.00 0.00 C ATOM 1140 C SER A 74 5.978 2.661 -12.983 1.00 0.00 C ATOM 1141 O SER A 74 6.621 2.331 -13.984 1.00 0.00 O ATOM 1142 CB SER A 74 4.464 4.006 -14.473 1.00 0.00 C ATOM 1143 OG SER A 74 3.970 3.123 -15.464 1.00 0.00 O ATOM 0 H SER A 74 5.184 4.683 -11.658 1.00 0.00 H new ATOM 0 HA SER A 74 3.846 2.509 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.796 4.862 -14.379 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.436 4.393 -14.778 1.00 0.00 H new ATOM 0 HG SER A 74 3.896 3.598 -16.318 1.00 0.00 H new ATOM 1149 N CYS A 75 6.436 2.487 -11.740 1.00 0.00 N ATOM 1150 CA CYS A 75 7.744 1.889 -11.479 1.00 0.00 C ATOM 1151 C CYS A 75 7.801 1.299 -10.071 1.00 0.00 C ATOM 1152 O CYS A 75 7.183 1.823 -9.147 1.00 0.00 O ATOM 1153 CB CYS A 75 8.848 2.936 -11.653 1.00 0.00 C ATOM 1154 SG CYS A 75 10.525 2.271 -11.533 1.00 0.00 S ATOM 0 H CYS A 75 5.920 2.752 -10.901 1.00 0.00 H new ATOM 0 HA CYS A 75 7.900 1.083 -12.197 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.728 3.416 -12.624 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.721 3.711 -10.897 1.00 0.00 H new ATOM 0 HG CYS A 75 11.385 3.232 -11.696 1.00 0.00 H new ATOM 1160 N ASP A 76 8.546 0.204 -9.920 1.00 0.00 N ATOM 1161 CA ASP A 76 8.689 -0.467 -8.625 1.00 0.00 C ATOM 1162 C ASP A 76 9.123 0.513 -7.535 1.00 0.00 C ATOM 1163 O ASP A 76 10.081 1.268 -7.711 1.00 0.00 O ATOM 1164 CB ASP A 76 9.698 -1.613 -8.726 1.00 0.00 C ATOM 1165 CG ASP A 76 9.040 -2.939 -9.046 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.827 -3.222 -10.243 1.00 0.00 O ATOM 1167 OD2 ASP A 76 8.737 -3.694 -8.100 1.00 0.00 O ATOM 0 H ASP A 76 9.062 -0.239 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 76 7.714 -0.871 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.432 -1.380 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.241 -1.698 -7.785 1.00 0.00 H new ATOM 1172 N ALA A 77 8.413 0.488 -6.406 1.00 0.00 N ATOM 1173 CA ALA A 77 8.720 1.369 -5.280 1.00 0.00 C ATOM 1174 C ALA A 77 9.962 0.901 -4.518 1.00 0.00 C ATOM 1175 O ALA A 77 10.618 1.698 -3.845 1.00 0.00 O ATOM 1176 CB ALA A 77 7.529 1.456 -4.337 1.00 0.00 C ATOM 0 H ALA A 77 7.620 -0.134 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 77 8.931 2.359 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.772 2.115 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.668 1.853 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.293 0.462 -3.957 1.00 0.00 H new ATOM 1182 N GLU A 78 10.282 -0.389 -4.630 1.00 0.00 N ATOM 1183 CA GLU A 78 11.446 -0.953 -3.951 1.00 0.00 C ATOM 1184 C GLU A 78 12.744 -0.533 -4.641 1.00 0.00 C ATOM 1185 O GLU A 78 13.818 -0.603 -4.044 1.00 0.00 O ATOM 1186 CB GLU A 78 11.353 -2.480 -3.900 1.00 0.00 C ATOM 1187 CG GLU A 78 10.015 -2.989 -3.385 1.00 0.00 C ATOM 1188 CD GLU A 78 10.158 -4.173 -2.449 1.00 0.00 C ATOM 1189 OE1 GLU A 78 10.146 -5.321 -2.938 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.280 -3.950 -1.225 1.00 0.00 O ATOM 0 H GLU A 78 9.751 -1.061 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 78 11.456 -0.564 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.525 -2.880 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.149 -2.864 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.500 -2.181 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.390 -3.274 -4.231 1.00 0.00 H new ATOM 1197 N VAL A 79 12.639 -0.090 -5.895 1.00 0.00 N ATOM 1198 CA VAL A 79 13.807 0.345 -6.650 1.00 0.00 C ATOM 1199 C VAL A 79 14.459 1.563 -5.992 1.00 0.00 C ATOM 1200 O VAL A 79 15.684 1.702 -6.001 1.00 0.00 O ATOM 1201 CB VAL A 79 13.445 0.692 -8.110 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.697 1.012 -8.911 1.00 0.00 C ATOM 1203 CG2 VAL A 79 12.669 -0.446 -8.762 1.00 0.00 C ATOM 0 H VAL A 79 11.758 -0.024 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 79 14.510 -0.488 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 79 12.808 1.576 -8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.420 1.254 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.208 1.864 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.361 0.148 -8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.425 -0.178 -9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.277 -1.351 -8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.749 -0.624 -8.206 1.00 0.00 H new ATOM 1213 N VAL A 80 13.635 2.445 -5.420 1.00 0.00 N ATOM 1214 CA VAL A 80 14.139 3.649 -4.761 1.00 0.00 C ATOM 1215 C VAL A 80 14.220 3.474 -3.243 1.00 0.00 C ATOM 1216 O VAL A 80 15.152 3.971 -2.608 1.00 0.00 O ATOM 1217 CB VAL A 80 13.269 4.887 -5.079 1.00 0.00 C ATOM 1218 CG1 VAL A 80 13.318 5.200 -6.567 1.00 0.00 C ATOM 1219 CG2 VAL A 80 11.831 4.680 -4.617 1.00 0.00 C ATOM 0 H VAL A 80 12.620 2.347 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 80 15.142 3.810 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 80 13.675 5.738 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.701 6.074 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.347 5.404 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.941 4.347 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.242 5.566 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.406 3.815 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.816 4.510 -3.540 1.00 0.00 H new ATOM 1229 N GLY A 81 13.241 2.775 -2.665 1.00 0.00 N ATOM 1230 CA GLY A 81 13.231 2.566 -1.227 1.00 0.00 C ATOM 1231 C GLY A 81 12.516 1.292 -0.812 1.00 0.00 C ATOM 1232 O GLY A 81 13.115 0.415 -0.187 1.00 0.00 O ATOM 0 H GLY A 81 12.459 2.353 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.258 2.533 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.750 3.418 -0.746 1.00 0.00 H new ATOM 1236 N GLY A 82 11.231 1.194 -1.148 1.00 0.00 N ATOM 1237 CA GLY A 82 10.451 0.022 -0.788 1.00 0.00 C ATOM 1238 C GLY A 82 9.577 0.265 0.426 1.00 0.00 C ATOM 1239 O GLY A 82 8.375 0.004 0.393 1.00 0.00 O ATOM 0 H GLY A 82 10.716 1.907 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.825 -0.268 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.123 -0.812 -0.588 1.00 0.00 H new ATOM 1243 N MET A 83 10.184 0.772 1.499 1.00 0.00 N ATOM 1244 CA MET A 83 9.458 1.060 2.733 1.00 0.00 C ATOM 1245 C MET A 83 9.700 2.497 3.220 1.00 0.00 C ATOM 1246 O MET A 83 9.227 2.874 4.293 1.00 0.00 O ATOM 1247 CB MET A 83 9.855 0.061 3.826 1.00 0.00 C ATOM 1248 CG MET A 83 11.322 0.137 4.235 1.00 0.00 C ATOM 1249 SD MET A 83 12.281 -1.272 3.650 1.00 0.00 S ATOM 1250 CE MET A 83 13.664 -1.234 4.788 1.00 0.00 C ATOM 0 H MET A 83 11.179 0.992 1.537 1.00 0.00 H new ATOM 0 HA MET A 83 8.394 0.959 2.518 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.234 0.235 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.638 -0.949 3.477 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.757 1.056 3.842 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.390 0.191 5.322 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.350 -2.048 4.555 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.186 -0.282 4.694 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.299 -1.349 5.809 1.00 0.00 H new ATOM 1260 N ASP A 84 10.434 3.296 2.435 1.00 0.00 N ATOM 1261 CA ASP A 84 10.725 4.679 2.811 1.00 0.00 C ATOM 1262 C ASP A 84 10.268 5.675 1.737 1.00 0.00 C ATOM 1263 O ASP A 84 10.809 6.778 1.637 1.00 0.00 O ATOM 1264 CB ASP A 84 12.223 4.849 3.078 1.00 0.00 C ATOM 1265 CG ASP A 84 12.507 5.937 4.098 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.196 5.729 5.289 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.036 6.997 3.703 1.00 0.00 O ATOM 0 H ASP A 84 10.833 3.008 1.542 1.00 0.00 H new ATOM 0 HA ASP A 84 10.165 4.895 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.636 3.905 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.731 5.088 2.144 1.00 0.00 H new ATOM 1272 N TYR A 85 9.270 5.288 0.941 1.00 0.00 N ATOM 1273 CA TYR A 85 8.750 6.161 -0.112 1.00 0.00 C ATOM 1274 C TYR A 85 7.901 7.285 0.484 1.00 0.00 C ATOM 1275 O TYR A 85 6.684 7.147 0.636 1.00 0.00 O ATOM 1276 CB TYR A 85 7.925 5.350 -1.117 1.00 0.00 C ATOM 1277 CG TYR A 85 7.859 5.974 -2.495 1.00 0.00 C ATOM 1278 CD1 TYR A 85 6.902 6.932 -2.799 1.00 0.00 C ATOM 1279 CD2 TYR A 85 8.754 5.600 -3.491 1.00 0.00 C ATOM 1280 CE1 TYR A 85 6.835 7.500 -4.056 1.00 0.00 C ATOM 1281 CE2 TYR A 85 8.693 6.167 -4.750 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.732 7.114 -5.028 1.00 0.00 C ATOM 1283 OH TYR A 85 7.668 7.678 -6.282 1.00 0.00 O ATOM 0 H TYR A 85 8.808 4.381 1.005 1.00 0.00 H new ATOM 0 HA TYR A 85 9.597 6.609 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.351 4.350 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.912 5.233 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.198 7.238 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.507 4.856 -3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.083 8.243 -4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.396 5.869 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 85 8.371 7.297 -6.848 1.00 0.00 H new ATOM 1293 N VAL A 86 8.556 8.394 0.826 1.00 0.00 N ATOM 1294 CA VAL A 86 7.873 9.546 1.416 1.00 0.00 C ATOM 1295 C VAL A 86 6.823 10.127 0.467 1.00 0.00 C ATOM 1296 O VAL A 86 7.048 10.221 -0.740 1.00 0.00 O ATOM 1297 CB VAL A 86 8.870 10.660 1.816 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.787 10.184 2.935 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.683 11.123 0.612 1.00 0.00 C ATOM 0 H VAL A 86 9.561 8.520 0.704 1.00 0.00 H new ATOM 0 HA VAL A 86 7.375 9.179 2.314 1.00 0.00 H new ATOM 0 HB VAL A 86 8.296 11.511 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.480 10.982 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.189 9.917 3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.349 9.312 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.376 11.906 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.244 10.281 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.011 11.513 -0.152 1.00 0.00 H new ATOM 1309 N LEU A 87 5.675 10.512 1.027 1.00 0.00 N ATOM 1310 CA LEU A 87 4.580 11.082 0.241 1.00 0.00 C ATOM 1311 C LEU A 87 4.698 12.607 0.157 1.00 0.00 C ATOM 1312 O LEU A 87 5.500 13.214 0.869 1.00 0.00 O ATOM 1313 CB LEU A 87 3.232 10.698 0.859 1.00 0.00 C ATOM 1314 CG LEU A 87 2.814 9.238 0.659 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.578 8.325 1.608 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.312 9.078 0.855 1.00 0.00 C ATOM 0 H LEU A 87 5.479 10.439 2.025 1.00 0.00 H new ATOM 0 HA LEU A 87 4.642 10.677 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.269 10.905 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.460 11.341 0.436 1.00 0.00 H new ATOM 0 HG LEU A 87 3.059 8.950 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.266 7.293 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.647 8.414 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.368 8.613 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.035 8.034 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.042 9.387 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.783 9.699 0.132 1.00 0.00 H new ATOM 1328 N ASN A 88 3.899 13.216 -0.722 1.00 0.00 N ATOM 1329 CA ASN A 88 3.916 14.671 -0.903 1.00 0.00 C ATOM 1330 C ASN A 88 2.723 15.145 -1.746 1.00 0.00 C ATOM 1331 O ASN A 88 2.878 15.985 -2.633 1.00 0.00 O ATOM 1332 CB ASN A 88 5.230 15.109 -1.567 1.00 0.00 C ATOM 1333 CG ASN A 88 5.511 14.365 -2.865 1.00 0.00 C ATOM 1334 OD1 ASN A 88 4.638 13.692 -3.416 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.736 14.487 -3.365 1.00 0.00 N ATOM 0 H ASN A 88 3.233 12.726 -1.319 1.00 0.00 H new ATOM 0 HA ASN A 88 3.839 15.129 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.191 16.180 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.055 14.945 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.981 14.014 -4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.431 15.053 -2.879 1.00 0.00 H new ATOM 1342 N ASP A 89 1.536 14.600 -1.458 1.00 0.00 N ATOM 1343 CA ASP A 89 0.314 14.958 -2.180 1.00 0.00 C ATOM 1344 C ASP A 89 0.405 14.545 -3.649 1.00 0.00 C ATOM 1345 O ASP A 89 0.969 15.260 -4.478 1.00 0.00 O ATOM 1346 CB ASP A 89 0.041 16.460 -2.065 1.00 0.00 C ATOM 1347 CG ASP A 89 0.081 16.947 -0.630 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.827 16.586 0.147 1.00 0.00 O ATOM 1349 OD2 ASP A 89 1.025 17.688 -0.282 1.00 0.00 O ATOM 0 H ASP A 89 1.397 13.905 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.516 14.417 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.779 17.007 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.936 16.683 -2.494 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.154 13.377 -3.954 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.129 12.860 -5.313 1.00 0.00 C ATOM 1356 C GLY A 90 0.725 11.608 -5.441 1.00 0.00 C ATOM 1357 O GLY A 90 1.277 11.334 -6.508 1.00 0.00 O ATOM 0 H GLY A 90 -0.627 12.775 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.147 12.637 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.255 13.628 -5.984 1.00 0.00 H new ATOM 1361 N ASP A 91 0.830 10.847 -4.350 1.00 0.00 N ATOM 1362 CA ASP A 91 1.618 9.619 -4.337 1.00 0.00 C ATOM 1363 C ASP A 91 0.764 8.426 -4.750 1.00 0.00 C ATOM 1364 O ASP A 91 -0.422 8.357 -4.422 1.00 0.00 O ATOM 1365 CB ASP A 91 2.205 9.383 -2.944 1.00 0.00 C ATOM 1366 CG ASP A 91 3.631 8.871 -2.990 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.560 9.706 -3.031 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.818 7.638 -2.984 1.00 0.00 O ATOM 0 H ASP A 91 0.376 11.063 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 91 2.432 9.727 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.176 10.315 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.583 8.666 -2.409 1.00 0.00 H new ATOM 1373 N THR A 92 1.375 7.490 -5.469 1.00 0.00 N ATOM 1374 CA THR A 92 0.674 6.295 -5.927 1.00 0.00 C ATOM 1375 C THR A 92 1.379 5.032 -5.441 1.00 0.00 C ATOM 1376 O THR A 92 2.601 4.916 -5.537 1.00 0.00 O ATOM 1377 CB THR A 92 0.576 6.290 -7.457 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.112 7.440 -7.921 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.140 5.073 -8.011 1.00 0.00 C ATOM 0 H THR A 92 2.355 7.536 -5.748 1.00 0.00 H new ATOM 0 HA THR A 92 -0.332 6.309 -5.508 1.00 0.00 H new ATOM 0 HB THR A 92 1.607 6.276 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.422 7.883 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.173 5.134 -9.099 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.394 4.170 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.156 5.039 -7.618 1.00 0.00 H new ATOM 1387 N VAL A 93 0.598 4.089 -4.919 1.00 0.00 N ATOM 1388 CA VAL A 93 1.138 2.830 -4.420 1.00 0.00 C ATOM 1389 C VAL A 93 0.191 1.669 -4.724 1.00 0.00 C ATOM 1390 O VAL A 93 -1.010 1.748 -4.455 1.00 0.00 O ATOM 1391 CB VAL A 93 1.406 2.895 -2.897 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.136 3.239 -2.134 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.997 1.582 -2.400 1.00 0.00 C ATOM 0 H VAL A 93 -0.415 4.175 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 93 2.085 2.661 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 93 2.131 3.688 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.352 3.278 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.236 4.209 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.620 2.477 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.178 1.648 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.299 0.770 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.937 1.388 -2.916 1.00 0.00 H new ATOM 1403 N GLU A 94 0.736 0.595 -5.291 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.061 -0.577 -5.637 1.00 0.00 C ATOM 1405 C GLU A 94 0.485 -1.834 -4.967 1.00 0.00 C ATOM 1406 O GLU A 94 1.669 -1.908 -4.635 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.089 -0.775 -7.154 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.497 0.470 -7.923 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.645 0.221 -9.411 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -1.429 -0.674 -9.790 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.023 0.925 -10.198 1.00 0.00 O ATOM 0 H GLU A 94 1.727 0.513 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.075 -0.405 -5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.899 -1.091 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.780 -1.583 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.441 0.843 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.247 1.250 -7.762 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.388 -2.821 -4.779 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.005 -4.084 -4.158 1.00 0.00 C ATOM 1420 C PHE A 95 -0.528 -5.262 -4.976 1.00 0.00 C ATOM 1421 O PHE A 95 -1.731 -5.526 -4.999 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.541 -4.162 -2.722 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.220 -2.953 -1.885 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.093 -2.577 -1.655 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.238 -2.193 -1.328 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.388 -1.468 -0.886 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.950 -1.082 -0.558 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.364 -0.719 -0.336 1.00 0.00 C ATOM 0 H PHE A 95 -1.370 -2.768 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 95 1.083 -4.133 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.623 -4.292 -2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.128 -5.047 -2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.897 -3.158 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.267 -2.473 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.416 -1.186 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.752 -0.498 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.591 0.148 0.266 1.00 0.00 H new ATOM 1438 N ILE A 96 0.381 -5.960 -5.655 1.00 0.00 N ATOM 1439 CA ILE A 96 0.012 -7.107 -6.483 1.00 0.00 C ATOM 1440 C ILE A 96 0.587 -8.405 -5.914 1.00 0.00 C ATOM 1441 O ILE A 96 1.798 -8.525 -5.724 1.00 0.00 O ATOM 1442 CB ILE A 96 0.502 -6.931 -7.939 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.106 -5.553 -8.481 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.063 -8.035 -8.826 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.766 -5.211 -9.800 1.00 0.00 C ATOM 0 H ILE A 96 1.379 -5.751 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.076 -7.164 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 96 1.590 -7.001 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.976 -5.517 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.368 -4.793 -7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.291 -7.898 -9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.268 -9.005 -8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.152 -7.993 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.441 -4.223 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.849 -5.214 -9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.484 -5.950 -10.550 1.00 0.00 H new ATOM 1457 N SER A 97 -0.290 -9.373 -5.644 1.00 0.00 N ATOM 1458 CA SER A 97 0.130 -10.663 -5.098 1.00 0.00 C ATOM 1459 C SER A 97 0.381 -11.680 -6.210 1.00 0.00 C ATOM 1460 O SER A 97 -0.453 -11.859 -7.099 1.00 0.00 O ATOM 1461 CB SER A 97 -0.928 -11.201 -4.129 1.00 0.00 C ATOM 1462 OG SER A 97 -0.622 -10.849 -2.792 1.00 0.00 O ATOM 0 H SER A 97 -1.295 -9.288 -5.795 1.00 0.00 H new ATOM 0 HA SER A 97 1.065 -10.508 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.907 -10.804 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.989 -12.286 -4.218 1.00 0.00 H new ATOM 0 HG SER A 97 -0.914 -9.929 -2.621 1.00 0.00 H new ATOM 1468 N THR A 98 1.535 -12.348 -6.147 1.00 0.00 N ATOM 1469 CA THR A 98 1.903 -13.357 -7.143 1.00 0.00 C ATOM 1470 C THR A 98 2.260 -14.684 -6.472 1.00 0.00 C ATOM 1471 O THR A 98 1.741 -15.736 -6.848 1.00 0.00 O ATOM 1472 CB THR A 98 3.077 -12.868 -7.997 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.217 -12.601 -7.192 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.764 -11.611 -8.782 1.00 0.00 C ATOM 0 H THR A 98 2.232 -12.208 -5.415 1.00 0.00 H new ATOM 0 HA THR A 98 1.041 -13.519 -7.790 1.00 0.00 H new ATOM 0 HB THR A 98 3.275 -13.678 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.969 -11.990 -6.467 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.638 -11.319 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.926 -11.800 -9.453 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.502 -10.808 -8.093 1.00 0.00 H new