USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 22 THR OG1 : rot 180:sc= -0.783 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.00697 X(o=-0.78,f=-1.2) USER MOD Single : A 2 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.063) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 116:sc= 1.2 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.717 USER MOD Single : A 27 LYS NZ :NH3+ -104:sc= -11.1! (180deg=-15.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -0.0246 (180deg=-0.0418) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -5.31! C(o=-5.3!,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.458 (180deg=-1.21) USER MOD Single : A 49 GLN : amide:sc= -2.98! C(o=-3!,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -92:sc= 1.19 USER MOD Single : A 60 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.075) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.191 F(o=-1.6!,f=-0.19) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.35) USER MOD Single : A 65 SER OG : rot -139:sc= 0.00338 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 50.461 -4.846 4.455 1.00 0.00 N ATOM 21 CA GLN A 2 51.624 -5.547 3.911 1.00 0.00 C ATOM 22 C GLN A 2 52.156 -4.832 2.677 1.00 0.00 C ATOM 23 O GLN A 2 51.466 -4.001 2.093 1.00 0.00 O ATOM 24 CB GLN A 2 51.222 -6.978 3.546 1.00 0.00 C ATOM 25 CG GLN A 2 51.006 -7.799 4.823 1.00 0.00 C ATOM 26 CD GLN A 2 50.046 -8.952 4.547 1.00 0.00 C ATOM 27 OE1 GLN A 2 50.331 -10.095 4.899 1.00 0.00 O ATOM 28 NE2 GLN A 2 48.917 -8.716 3.935 1.00 0.00 N ATOM 0 HA GLN A 2 52.412 -5.563 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 2 50.309 -6.968 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.997 -7.438 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.960 -8.187 5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.605 -7.162 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 2 48.683 -7.767 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 2 48.269 -9.481 3.748 1.00 0.00 H new ATOM 37 N ILE A 3 53.379 -5.178 2.275 1.00 0.00 N ATOM 38 CA ILE A 3 53.985 -4.585 1.085 1.00 0.00 C ATOM 39 C ILE A 3 54.310 -5.684 0.096 1.00 0.00 C ATOM 40 O ILE A 3 54.407 -6.857 0.460 1.00 0.00 O ATOM 41 CB ILE A 3 55.268 -3.799 1.427 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.941 -2.293 1.504 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.334 -4.040 0.340 1.00 0.00 C ATOM 44 CD1 ILE A 3 56.165 -1.465 1.113 1.00 0.00 C ATOM 0 H ILE A 3 53.966 -5.862 2.753 1.00 0.00 H new ATOM 0 HA ILE A 3 53.272 -3.882 0.653 1.00 0.00 H new ATOM 0 HB ILE A 3 55.654 -4.139 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 3 54.108 -2.060 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.625 -2.033 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.238 -3.483 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 3 56.567 -5.104 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 3 55.953 -3.704 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.921 -0.404 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.987 -1.686 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 3 56.462 -1.713 0.094 1.00 0.00 H new ATOM 56 N PHE A 4 54.472 -5.302 -1.159 1.00 0.00 N ATOM 57 CA PHE A 4 54.779 -6.266 -2.195 1.00 0.00 C ATOM 58 C PHE A 4 55.791 -5.699 -3.188 1.00 0.00 C ATOM 59 O PHE A 4 55.667 -4.558 -3.630 1.00 0.00 O ATOM 60 CB PHE A 4 53.486 -6.645 -2.907 1.00 0.00 C ATOM 61 CG PHE A 4 53.786 -7.423 -4.164 1.00 0.00 C ATOM 62 CD1 PHE A 4 54.832 -8.352 -4.183 1.00 0.00 C ATOM 63 CD2 PHE A 4 53.011 -7.219 -5.312 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.106 -9.076 -5.347 1.00 0.00 C ATOM 65 CE2 PHE A 4 53.286 -7.946 -6.478 1.00 0.00 C ATOM 66 CZ PHE A 4 54.333 -8.873 -6.495 1.00 0.00 C ATOM 0 H PHE A 4 54.396 -4.337 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 4 55.226 -7.152 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 4 52.859 -7.241 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 4 52.923 -5.745 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 4 55.429 -8.510 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 4 52.203 -6.503 -5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 4 55.914 -9.792 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 4 52.689 -7.790 -7.364 1.00 0.00 H new ATOM 0 HZ PHE A 4 54.545 -9.432 -7.394 1.00 0.00 H new ATOM 76 N VAL A 5 56.793 -6.505 -3.533 1.00 0.00 N ATOM 77 CA VAL A 5 57.823 -6.080 -4.479 1.00 0.00 C ATOM 78 C VAL A 5 58.024 -7.143 -5.558 1.00 0.00 C ATOM 79 O VAL A 5 57.993 -8.341 -5.273 1.00 0.00 O ATOM 80 CB VAL A 5 59.145 -5.835 -3.744 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.258 -5.590 -4.765 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.012 -4.607 -2.834 1.00 0.00 C ATOM 0 H VAL A 5 56.914 -7.452 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 5 57.498 -5.153 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 5 59.387 -6.709 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.199 -5.416 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 5 60.358 -6.462 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.011 -4.717 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 5 59.954 -4.436 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 5 58.767 -3.732 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.220 -4.779 -2.105 1.00 0.00 H new ATOM 92 N LYS A 6 58.239 -6.699 -6.795 1.00 0.00 N ATOM 93 CA LYS A 6 58.452 -7.625 -7.905 1.00 0.00 C ATOM 94 C LYS A 6 59.939 -7.709 -8.240 1.00 0.00 C ATOM 95 O LYS A 6 60.645 -6.700 -8.215 1.00 0.00 O ATOM 96 CB LYS A 6 57.657 -7.166 -9.138 1.00 0.00 C ATOM 97 CG LYS A 6 58.450 -6.110 -9.917 1.00 0.00 C ATOM 98 CD LYS A 6 57.530 -5.426 -10.934 1.00 0.00 C ATOM 99 CE LYS A 6 58.356 -4.542 -11.882 1.00 0.00 C ATOM 100 NZ LYS A 6 58.160 -5.005 -13.285 1.00 0.00 N ATOM 0 H LYS A 6 58.270 -5.713 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 6 58.101 -8.614 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.445 -8.020 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 6 56.697 -6.754 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 6 58.864 -5.371 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 6 59.292 -6.576 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.986 -6.177 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.787 -4.821 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 6 58.050 -3.500 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.412 -4.591 -11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.718 -4.408 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.472 -5.993 -13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.153 -4.937 -13.536 1.00 0.00 H new ATOM 114 N THR A 7 60.414 -8.915 -8.547 1.00 0.00 N ATOM 115 CA THR A 7 61.824 -9.108 -8.878 1.00 0.00 C ATOM 116 C THR A 7 62.003 -9.341 -10.376 1.00 0.00 C ATOM 117 O THR A 7 61.125 -9.893 -11.040 1.00 0.00 O ATOM 118 CB THR A 7 62.381 -10.308 -8.106 1.00 0.00 C ATOM 119 OG1 THR A 7 61.880 -10.282 -6.776 1.00 0.00 O ATOM 120 CG2 THR A 7 63.910 -10.239 -8.080 1.00 0.00 C ATOM 0 H THR A 7 59.850 -9.764 -8.573 1.00 0.00 H new ATOM 0 HA THR A 7 62.367 -8.206 -8.597 1.00 0.00 H new ATOM 0 HB THR A 7 62.073 -11.232 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 7 61.322 -11.073 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 7 64.303 -11.094 -7.530 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.292 -10.257 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 7 64.224 -9.317 -7.591 1.00 0.00 H new ATOM 128 N LEU A 8 63.149 -8.917 -10.896 1.00 0.00 N ATOM 129 CA LEU A 8 63.450 -9.078 -12.316 1.00 0.00 C ATOM 130 C LEU A 8 63.756 -10.536 -12.651 1.00 0.00 C ATOM 131 O LEU A 8 63.824 -10.911 -13.821 1.00 0.00 O ATOM 132 CB LEU A 8 64.644 -8.197 -12.690 1.00 0.00 C ATOM 133 CG LEU A 8 64.290 -6.722 -12.442 1.00 0.00 C ATOM 134 CD1 LEU A 8 65.550 -5.939 -12.063 1.00 0.00 C ATOM 135 CD2 LEU A 8 63.681 -6.116 -13.711 1.00 0.00 C ATOM 0 H LEU A 8 63.885 -8.460 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 8 62.575 -8.774 -12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 8 65.516 -8.477 -12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 64.907 -8.348 -13.737 1.00 0.00 H new ATOM 0 HG LEU A 8 63.569 -6.664 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.291 -4.895 -11.889 1.00 0.00 H new ATOM 0 HD12 LEU A 8 65.982 -6.362 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 8 66.275 -6.002 -12.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 63.431 -5.070 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 8 64.400 -6.182 -14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 8 62.777 -6.664 -13.978 1.00 0.00 H new ATOM 147 N THR A 9 63.947 -11.355 -11.620 1.00 0.00 N ATOM 148 CA THR A 9 64.255 -12.771 -11.824 1.00 0.00 C ATOM 149 C THR A 9 62.982 -13.611 -11.840 1.00 0.00 C ATOM 150 O THR A 9 63.012 -14.789 -12.195 1.00 0.00 O ATOM 151 CB THR A 9 65.180 -13.268 -10.712 1.00 0.00 C ATOM 152 OG1 THR A 9 64.555 -13.065 -9.452 1.00 0.00 O ATOM 153 CG2 THR A 9 66.500 -12.497 -10.760 1.00 0.00 C ATOM 0 H THR A 9 63.895 -11.068 -10.643 1.00 0.00 H new ATOM 0 HA THR A 9 64.751 -12.875 -12.789 1.00 0.00 H new ATOM 0 HB THR A 9 65.378 -14.331 -10.852 1.00 0.00 H new ATOM 0 HG1 THR A 9 65.146 -13.385 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.158 -12.852 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.979 -12.655 -11.727 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.305 -11.434 -10.621 1.00 0.00 H new ATOM 161 N GLY A 10 61.864 -13.002 -11.460 1.00 0.00 N ATOM 162 CA GLY A 10 60.589 -13.712 -11.440 1.00 0.00 C ATOM 163 C GLY A 10 60.310 -14.298 -10.062 1.00 0.00 C ATOM 164 O GLY A 10 59.240 -14.857 -9.820 1.00 0.00 O ATOM 0 H GLY A 10 61.813 -12.027 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.785 -13.030 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.602 -14.510 -12.182 1.00 0.00 H new ATOM 168 N LYS A 11 61.276 -14.167 -9.160 1.00 0.00 N ATOM 169 CA LYS A 11 61.115 -14.688 -7.808 1.00 0.00 C ATOM 170 C LYS A 11 60.257 -13.740 -6.977 1.00 0.00 C ATOM 171 O LYS A 11 60.521 -12.539 -6.917 1.00 0.00 O ATOM 172 CB LYS A 11 62.489 -14.867 -7.150 1.00 0.00 C ATOM 173 CG LYS A 11 62.344 -15.608 -5.808 1.00 0.00 C ATOM 174 CD LYS A 11 63.431 -16.682 -5.692 1.00 0.00 C ATOM 175 CE LYS A 11 63.318 -17.382 -4.335 1.00 0.00 C ATOM 176 NZ LYS A 11 63.833 -16.481 -3.267 1.00 0.00 N ATOM 0 H LYS A 11 62.170 -13.709 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 11 60.617 -15.656 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.148 -15.427 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.952 -13.894 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 11 62.426 -14.903 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 11 61.357 -16.066 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 11 63.326 -17.409 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.417 -16.229 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 11 62.279 -17.644 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 11 63.885 -18.313 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 63.948 -17.019 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 64.752 -16.090 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 63.159 -15.704 -3.114 1.00 0.00 H new ATOM 190 N THR A 12 59.224 -14.288 -6.345 1.00 0.00 N ATOM 191 CA THR A 12 58.326 -13.482 -5.527 1.00 0.00 C ATOM 192 C THR A 12 58.975 -13.144 -4.187 1.00 0.00 C ATOM 193 O THR A 12 59.253 -14.031 -3.382 1.00 0.00 O ATOM 194 CB THR A 12 57.019 -14.245 -5.285 1.00 0.00 C ATOM 195 OG1 THR A 12 56.274 -14.302 -6.493 1.00 0.00 O ATOM 196 CG2 THR A 12 56.192 -13.535 -4.208 1.00 0.00 C ATOM 0 H THR A 12 58.989 -15.280 -6.383 1.00 0.00 H new ATOM 0 HA THR A 12 58.115 -12.554 -6.058 1.00 0.00 H new ATOM 0 HB THR A 12 57.251 -15.256 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.439 -14.791 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 12 55.265 -14.083 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 12 56.762 -13.495 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 12 55.961 -12.522 -4.536 1.00 0.00 H new ATOM 204 N ILE A 13 59.207 -11.854 -3.957 1.00 0.00 N ATOM 205 CA ILE A 13 59.819 -11.403 -2.708 1.00 0.00 C ATOM 206 C ILE A 13 58.833 -10.538 -1.919 1.00 0.00 C ATOM 207 O ILE A 13 58.456 -9.447 -2.347 1.00 0.00 O ATOM 208 CB ILE A 13 61.110 -10.619 -3.010 1.00 0.00 C ATOM 209 CG1 ILE A 13 62.030 -10.649 -1.787 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.786 -9.165 -3.359 1.00 0.00 C ATOM 211 CD1 ILE A 13 63.317 -9.871 -2.086 1.00 0.00 C ATOM 0 H ILE A 13 58.983 -11.106 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 13 60.074 -12.272 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 13 61.607 -11.086 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 13 61.522 -10.212 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 13 62.270 -11.680 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.710 -8.627 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.142 -9.137 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 13 60.275 -8.694 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.968 -9.895 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.829 -10.327 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 13 63.070 -8.837 -2.325 1.00 0.00 H new ATOM 223 N THR A 14 58.404 -11.045 -0.766 1.00 0.00 N ATOM 224 CA THR A 14 57.452 -10.323 0.080 1.00 0.00 C ATOM 225 C THR A 14 58.084 -9.997 1.431 1.00 0.00 C ATOM 226 O THR A 14 58.788 -10.826 2.006 1.00 0.00 O ATOM 227 CB THR A 14 56.199 -11.174 0.307 1.00 0.00 C ATOM 228 OG1 THR A 14 56.582 -12.463 0.765 1.00 0.00 O ATOM 229 CG2 THR A 14 55.414 -11.310 -1.000 1.00 0.00 C ATOM 0 H THR A 14 58.698 -11.949 -0.396 1.00 0.00 H new ATOM 0 HA THR A 14 57.179 -9.396 -0.425 1.00 0.00 H new ATOM 0 HB THR A 14 55.568 -10.690 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.782 -13.009 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.525 -11.917 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.117 -10.322 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.041 -11.789 -1.753 1.00 0.00 H new ATOM 237 N LEU A 15 57.821 -8.793 1.940 1.00 0.00 N ATOM 238 CA LEU A 15 58.363 -8.388 3.237 1.00 0.00 C ATOM 239 C LEU A 15 57.223 -8.213 4.221 1.00 0.00 C ATOM 240 O LEU A 15 56.143 -7.752 3.852 1.00 0.00 O ATOM 241 CB LEU A 15 59.168 -7.075 3.123 1.00 0.00 C ATOM 242 CG LEU A 15 59.003 -6.451 1.730 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.459 -4.991 1.782 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.856 -7.210 0.701 1.00 0.00 C ATOM 0 H LEU A 15 57.243 -8.089 1.481 1.00 0.00 H new ATOM 0 HA LEU A 15 59.041 -9.165 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.832 -6.370 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 15 60.223 -7.272 3.315 1.00 0.00 H new ATOM 0 HG LEU A 15 57.956 -6.510 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.346 -4.539 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.851 -4.445 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.506 -4.947 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.729 -6.757 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.906 -7.160 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.539 -8.252 0.664 1.00 0.00 H new ATOM 256 N GLU A 16 57.461 -8.569 5.478 1.00 0.00 N ATOM 257 CA GLU A 16 56.423 -8.419 6.477 1.00 0.00 C ATOM 258 C GLU A 16 56.650 -7.105 7.180 1.00 0.00 C ATOM 259 O GLU A 16 57.639 -6.917 7.888 1.00 0.00 O ATOM 260 CB GLU A 16 56.471 -9.567 7.490 1.00 0.00 C ATOM 261 CG GLU A 16 56.122 -10.892 6.796 1.00 0.00 C ATOM 262 CD GLU A 16 57.381 -11.527 6.214 1.00 0.00 C ATOM 263 OE1 GLU A 16 58.344 -11.666 6.950 1.00 0.00 O ATOM 264 OE2 GLU A 16 57.363 -11.866 5.042 1.00 0.00 O ATOM 0 H GLU A 16 58.342 -8.954 5.819 1.00 0.00 H new ATOM 0 HA GLU A 16 55.443 -8.439 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.464 -9.630 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 16 55.770 -9.376 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 16 55.658 -11.574 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 16 55.395 -10.716 6.004 1.00 0.00 H new ATOM 271 N VAL A 17 55.741 -6.185 6.934 1.00 0.00 N ATOM 272 CA VAL A 17 55.852 -4.860 7.496 1.00 0.00 C ATOM 273 C VAL A 17 54.494 -4.246 7.726 1.00 0.00 C ATOM 274 O VAL A 17 53.468 -4.778 7.304 1.00 0.00 O ATOM 275 CB VAL A 17 56.610 -3.979 6.511 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.813 -3.904 5.206 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.770 -2.570 7.084 1.00 0.00 C ATOM 0 H VAL A 17 54.919 -6.332 6.349 1.00 0.00 H new ATOM 0 HA VAL A 17 56.371 -4.933 8.452 1.00 0.00 H new ATOM 0 HB VAL A 17 57.598 -4.403 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.344 -3.276 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.697 -4.906 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.830 -3.477 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.313 -1.948 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.786 -2.138 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.325 -2.619 8.021 1.00 0.00 H new ATOM 287 N GLU A 18 54.516 -3.073 8.340 1.00 0.00 N ATOM 288 CA GLU A 18 53.314 -2.301 8.570 1.00 0.00 C ATOM 289 C GLU A 18 53.273 -1.229 7.487 1.00 0.00 C ATOM 290 O GLU A 18 54.191 -1.139 6.678 1.00 0.00 O ATOM 291 CB GLU A 18 53.352 -1.658 9.961 1.00 0.00 C ATOM 292 CG GLU A 18 54.079 -2.591 10.935 1.00 0.00 C ATOM 293 CD GLU A 18 55.591 -2.436 10.786 1.00 0.00 C ATOM 294 OE1 GLU A 18 56.033 -1.324 10.547 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.282 -3.431 10.915 1.00 0.00 O ATOM 0 H GLU A 18 55.367 -2.634 8.690 1.00 0.00 H new ATOM 0 HA GLU A 18 52.426 -2.932 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.861 -0.695 9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.338 -1.466 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.782 -2.363 11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.792 -3.625 10.743 1.00 0.00 H new ATOM 302 N PRO A 19 52.269 -0.422 7.422 1.00 0.00 N ATOM 303 CA PRO A 19 52.191 0.617 6.398 1.00 0.00 C ATOM 304 C PRO A 19 53.136 1.767 6.678 1.00 0.00 C ATOM 305 O PRO A 19 53.283 2.643 5.829 1.00 0.00 O ATOM 306 CB PRO A 19 50.730 1.058 6.384 1.00 0.00 C ATOM 307 CG PRO A 19 50.035 0.220 7.406 1.00 0.00 C ATOM 308 CD PRO A 19 51.111 -0.371 8.291 1.00 0.00 C ATOM 0 HA PRO A 19 52.502 0.242 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.640 2.118 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.289 0.915 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.340 0.822 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.451 -0.567 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.294 0.248 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.835 -1.362 8.652 1.00 0.00 H new ATOM 316 N SER A 20 53.798 1.802 7.853 1.00 0.00 N ATOM 317 CA SER A 20 54.689 2.927 8.053 1.00 0.00 C ATOM 318 C SER A 20 55.941 2.627 7.269 1.00 0.00 C ATOM 319 O SER A 20 56.517 3.518 6.657 1.00 0.00 O ATOM 320 CB SER A 20 55.037 3.097 9.536 1.00 0.00 C ATOM 321 OG SER A 20 56.425 3.380 9.668 1.00 0.00 O ATOM 0 H SER A 20 53.735 1.121 8.610 1.00 0.00 H new ATOM 0 HA SER A 20 54.216 3.851 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.447 3.905 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.786 2.190 10.086 1.00 0.00 H new ATOM 0 HG SER A 20 56.648 3.490 10.616 1.00 0.00 H new ATOM 327 N ASP A 21 56.236 1.340 7.107 1.00 0.00 N ATOM 328 CA ASP A 21 57.268 0.964 6.171 1.00 0.00 C ATOM 329 C ASP A 21 58.363 2.005 6.077 1.00 0.00 C ATOM 330 O ASP A 21 58.439 2.666 5.040 1.00 0.00 O ATOM 331 CB ASP A 21 56.684 0.660 4.804 1.00 0.00 C ATOM 332 CG ASP A 21 56.593 -0.842 4.580 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.630 -1.465 4.429 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.484 -1.345 4.559 1.00 0.00 O ATOM 0 H ASP A 21 55.786 0.568 7.599 1.00 0.00 H new ATOM 0 HA ASP A 21 57.727 0.053 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.693 1.106 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.304 1.111 4.030 1.00 0.00 H new ATOM 339 N THR A 22 59.172 2.264 7.079 1.00 0.00 N ATOM 340 CA THR A 22 60.104 3.349 6.852 1.00 0.00 C ATOM 341 C THR A 22 61.242 2.755 6.061 1.00 0.00 C ATOM 342 O THR A 22 61.663 1.629 6.286 1.00 0.00 O ATOM 343 CB THR A 22 60.614 3.903 8.195 1.00 0.00 C ATOM 344 OG1 THR A 22 60.144 3.075 9.247 1.00 0.00 O ATOM 345 CG2 THR A 22 60.102 5.330 8.415 1.00 0.00 C ATOM 0 H THR A 22 59.211 1.790 7.981 1.00 0.00 H new ATOM 0 HA THR A 22 59.636 4.177 6.319 1.00 0.00 H new ATOM 0 HB THR A 22 61.704 3.916 8.181 1.00 0.00 H new ATOM 0 HG1 THR A 22 60.467 3.421 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 22 60.472 5.706 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 22 60.457 5.972 7.609 1.00 0.00 H new ATOM 0 HG23 THR A 22 59.012 5.328 8.424 1.00 0.00 H new ATOM 353 N ILE A 23 61.641 3.505 5.040 1.00 0.00 N ATOM 354 CA ILE A 23 62.629 3.036 4.086 1.00 0.00 C ATOM 355 C ILE A 23 63.890 2.587 4.784 1.00 0.00 C ATOM 356 O ILE A 23 64.399 1.506 4.498 1.00 0.00 O ATOM 357 CB ILE A 23 62.890 4.128 3.036 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.677 5.088 3.004 1.00 0.00 C ATOM 359 CG2 ILE A 23 63.067 3.491 1.647 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.387 4.306 2.806 1.00 0.00 C ATOM 0 H ILE A 23 61.291 4.445 4.854 1.00 0.00 H new ATOM 0 HA ILE A 23 62.243 2.159 3.566 1.00 0.00 H new ATOM 0 HB ILE A 23 63.797 4.673 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 23 61.628 5.653 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 23 61.799 5.811 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.251 4.272 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 23 63.913 2.804 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 23 62.162 2.945 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.543 4.995 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 23 60.433 3.761 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 23 60.259 3.601 3.627 1.00 0.00 H new ATOM 372 N GLU A 24 64.363 3.343 5.749 1.00 0.00 N ATOM 373 CA GLU A 24 65.515 2.872 6.475 1.00 0.00 C ATOM 374 C GLU A 24 65.103 1.532 7.087 1.00 0.00 C ATOM 375 O GLU A 24 65.916 0.625 7.268 1.00 0.00 O ATOM 376 CB GLU A 24 65.917 3.868 7.571 1.00 0.00 C ATOM 377 CG GLU A 24 67.432 3.788 7.817 1.00 0.00 C ATOM 378 CD GLU A 24 67.742 4.033 9.290 1.00 0.00 C ATOM 379 OE1 GLU A 24 67.376 3.196 10.099 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.346 5.050 9.588 1.00 0.00 O ATOM 0 H GLU A 24 63.987 4.246 6.039 1.00 0.00 H new ATOM 0 HA GLU A 24 66.380 2.765 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 24 65.640 4.880 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.378 3.647 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 24 67.805 2.808 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.947 4.526 7.202 1.00 0.00 H new ATOM 387 N ASN A 25 63.795 1.436 7.373 1.00 0.00 N ATOM 388 CA ASN A 25 63.192 0.228 7.940 1.00 0.00 C ATOM 389 C ASN A 25 62.972 -0.850 6.872 1.00 0.00 C ATOM 390 O ASN A 25 63.259 -2.025 7.097 1.00 0.00 O ATOM 391 CB ASN A 25 61.850 0.588 8.594 1.00 0.00 C ATOM 392 CG ASN A 25 61.701 -0.123 9.938 1.00 0.00 C ATOM 393 OD1 ASN A 25 62.143 -1.261 10.094 1.00 0.00 O ATOM 394 ND2 ASN A 25 61.096 0.488 10.922 1.00 0.00 N ATOM 0 H ASN A 25 63.130 2.194 7.217 1.00 0.00 H new ATOM 0 HA ASN A 25 63.878 -0.176 8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.787 1.667 8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.030 0.306 7.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 60.989 0.022 11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 25 60.731 1.431 10.789 1.00 0.00 H new ATOM 401 N VAL A 26 62.445 -0.441 5.715 1.00 0.00 N ATOM 402 CA VAL A 26 62.178 -1.384 4.632 1.00 0.00 C ATOM 403 C VAL A 26 63.474 -1.832 3.981 1.00 0.00 C ATOM 404 O VAL A 26 63.629 -3.001 3.633 1.00 0.00 O ATOM 405 CB VAL A 26 61.270 -0.750 3.570 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.791 -1.832 2.598 1.00 0.00 C ATOM 407 CG2 VAL A 26 60.057 -0.099 4.243 1.00 0.00 C ATOM 0 H VAL A 26 62.198 0.527 5.507 1.00 0.00 H new ATOM 0 HA VAL A 26 61.674 -2.249 5.062 1.00 0.00 H new ATOM 0 HB VAL A 26 61.831 0.010 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.146 -1.383 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.652 -2.292 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.234 -2.592 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.416 0.349 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.495 -0.856 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.395 0.673 4.934 1.00 0.00 H new ATOM 417 N LYS A 27 64.403 -0.897 3.821 1.00 0.00 N ATOM 418 CA LYS A 27 65.685 -1.205 3.203 1.00 0.00 C ATOM 419 C LYS A 27 66.351 -2.361 3.918 1.00 0.00 C ATOM 420 O LYS A 27 66.753 -3.346 3.299 1.00 0.00 O ATOM 421 CB LYS A 27 66.607 0.002 3.296 1.00 0.00 C ATOM 422 CG LYS A 27 66.050 1.146 2.449 1.00 0.00 C ATOM 423 CD LYS A 27 66.549 1.017 1.005 1.00 0.00 C ATOM 424 CE LYS A 27 65.382 1.203 0.036 1.00 0.00 C ATOM 425 NZ LYS A 27 64.241 0.342 0.454 1.00 0.00 N ATOM 0 H LYS A 27 64.293 0.075 4.109 1.00 0.00 H new ATOM 0 HA LYS A 27 65.505 -1.467 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.702 0.319 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.606 -0.265 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 64.960 1.128 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 27 66.361 2.104 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.319 1.763 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.006 0.039 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 27 65.074 2.248 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.693 0.945 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.184 -0.486 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 64.386 0.026 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 63.356 0.885 0.392 1.00 0.00 H new ATOM 439 N ALA A 28 66.459 -2.236 5.228 1.00 0.00 N ATOM 440 CA ALA A 28 67.072 -3.278 6.016 1.00 0.00 C ATOM 441 C ALA A 28 66.331 -4.591 5.781 1.00 0.00 C ATOM 442 O ALA A 28 66.941 -5.659 5.739 1.00 0.00 O ATOM 443 CB ALA A 28 67.051 -2.888 7.493 1.00 0.00 C ATOM 0 H ALA A 28 66.132 -1.430 5.761 1.00 0.00 H new ATOM 0 HA ALA A 28 68.112 -3.409 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.515 -3.677 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.603 -1.959 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 28 66.020 -2.749 7.818 1.00 0.00 H new ATOM 449 N LYS A 29 65.014 -4.499 5.580 1.00 0.00 N ATOM 450 CA LYS A 29 64.222 -5.689 5.296 1.00 0.00 C ATOM 451 C LYS A 29 64.691 -6.261 3.960 1.00 0.00 C ATOM 452 O LYS A 29 64.799 -7.477 3.796 1.00 0.00 O ATOM 453 CB LYS A 29 62.713 -5.352 5.248 1.00 0.00 C ATOM 454 CG LYS A 29 61.977 -6.063 6.395 1.00 0.00 C ATOM 455 CD LYS A 29 60.597 -5.419 6.611 1.00 0.00 C ATOM 456 CE LYS A 29 60.684 -4.348 7.704 1.00 0.00 C ATOM 457 NZ LYS A 29 60.591 -4.994 9.046 1.00 0.00 N ATOM 0 H LYS A 29 64.485 -3.627 5.609 1.00 0.00 H new ATOM 0 HA LYS A 29 64.361 -6.424 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.570 -4.274 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.294 -5.660 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.861 -7.122 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.565 -5.999 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.245 -4.973 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.871 -6.181 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.623 -3.801 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 29 59.879 -3.623 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.650 -4.266 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.685 -5.497 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.373 -5.669 9.161 1.00 0.00 H new ATOM 471 N ILE A 30 65.007 -5.368 3.017 1.00 0.00 N ATOM 472 CA ILE A 30 65.505 -5.800 1.715 1.00 0.00 C ATOM 473 C ILE A 30 66.885 -6.428 1.902 1.00 0.00 C ATOM 474 O ILE A 30 67.214 -7.438 1.281 1.00 0.00 O ATOM 475 CB ILE A 30 65.609 -4.621 0.737 1.00 0.00 C ATOM 476 CG1 ILE A 30 64.310 -3.809 0.748 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.853 -5.148 -0.683 1.00 0.00 C ATOM 478 CD1 ILE A 30 63.113 -4.747 0.572 1.00 0.00 C ATOM 0 H ILE A 30 64.927 -4.358 3.131 1.00 0.00 H new ATOM 0 HA ILE A 30 64.806 -6.524 1.296 1.00 0.00 H new ATOM 0 HB ILE A 30 66.438 -3.984 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 30 64.220 -3.261 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 30 64.325 -3.069 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.926 -4.309 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.781 -5.719 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 30 65.025 -5.791 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.191 -4.166 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 30 63.201 -5.275 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.094 -5.469 1.388 1.00 0.00 H new ATOM 490 N GLN A 31 67.682 -5.814 2.779 1.00 0.00 N ATOM 491 CA GLN A 31 69.030 -6.299 3.073 1.00 0.00 C ATOM 492 C GLN A 31 68.983 -7.705 3.671 1.00 0.00 C ATOM 493 O GLN A 31 69.881 -8.515 3.450 1.00 0.00 O ATOM 494 CB GLN A 31 69.703 -5.353 4.074 1.00 0.00 C ATOM 495 CG GLN A 31 71.097 -5.876 4.423 1.00 0.00 C ATOM 496 CD GLN A 31 71.876 -4.818 5.198 1.00 0.00 C ATOM 497 OE1 GLN A 31 72.250 -5.041 6.349 1.00 0.00 O ATOM 498 NE2 GLN A 31 72.142 -3.670 4.636 1.00 0.00 N ATOM 0 H GLN A 31 67.415 -4.978 3.299 1.00 0.00 H new ATOM 0 HA GLN A 31 69.597 -6.331 2.142 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.776 -4.352 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.098 -5.273 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.014 -6.786 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.634 -6.139 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 31 71.832 -3.485 3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.660 -2.958 5.151 1.00 0.00 H new ATOM 507 N ASP A 32 67.940 -7.975 4.447 1.00 0.00 N ATOM 508 CA ASP A 32 67.786 -9.272 5.102 1.00 0.00 C ATOM 509 C ASP A 32 67.735 -10.425 4.097 1.00 0.00 C ATOM 510 O ASP A 32 68.215 -11.521 4.385 1.00 0.00 O ATOM 511 CB ASP A 32 66.513 -9.277 5.948 1.00 0.00 C ATOM 512 CG ASP A 32 66.664 -8.311 7.119 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.635 -7.572 7.129 1.00 0.00 O ATOM 514 OD2 ASP A 32 65.809 -8.324 7.988 1.00 0.00 O ATOM 0 H ASP A 32 67.187 -7.314 4.639 1.00 0.00 H new ATOM 0 HA ASP A 32 68.660 -9.422 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 32 65.658 -8.989 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 32 66.316 -10.283 6.318 1.00 0.00 H new ATOM 519 N LYS A 33 67.150 -10.187 2.927 1.00 0.00 N ATOM 520 CA LYS A 33 67.050 -11.242 1.916 1.00 0.00 C ATOM 521 C LYS A 33 68.447 -11.717 1.519 1.00 0.00 C ATOM 522 O LYS A 33 68.653 -12.883 1.186 1.00 0.00 O ATOM 523 CB LYS A 33 66.310 -10.728 0.670 1.00 0.00 C ATOM 524 CG LYS A 33 65.132 -9.831 1.076 1.00 0.00 C ATOM 525 CD LYS A 33 63.958 -10.690 1.556 1.00 0.00 C ATOM 526 CE LYS A 33 62.962 -9.813 2.316 1.00 0.00 C ATOM 527 NZ LYS A 33 61.633 -10.488 2.355 1.00 0.00 N ATOM 0 H LYS A 33 66.744 -9.292 2.656 1.00 0.00 H new ATOM 0 HA LYS A 33 66.489 -12.074 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 33 66.998 -10.169 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.947 -11.571 0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 33 65.441 -9.148 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 33 64.822 -9.218 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 33 63.467 -11.162 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 33 64.319 -11.491 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 33 63.320 -9.633 3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 62.874 -8.841 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.920 -9.877 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 61.687 -11.391 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 61.363 -10.667 3.343 1.00 0.00 H new ATOM 541 N GLU A 34 69.397 -10.796 1.578 1.00 0.00 N ATOM 542 CA GLU A 34 70.788 -11.088 1.247 1.00 0.00 C ATOM 543 C GLU A 34 71.662 -10.008 1.867 1.00 0.00 C ATOM 544 O GLU A 34 71.678 -9.848 3.087 1.00 0.00 O ATOM 545 CB GLU A 34 70.973 -11.112 -0.273 1.00 0.00 C ATOM 546 CG GLU A 34 70.210 -9.943 -0.901 1.00 0.00 C ATOM 547 CD GLU A 34 70.779 -9.626 -2.280 1.00 0.00 C ATOM 548 OE1 GLU A 34 70.733 -10.498 -3.132 1.00 0.00 O ATOM 549 OE2 GLU A 34 71.251 -8.517 -2.463 1.00 0.00 O ATOM 0 H GLU A 34 69.229 -9.829 1.855 1.00 0.00 H new ATOM 0 HA GLU A 34 71.070 -12.065 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 34 72.032 -11.044 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 70.610 -12.056 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 34 69.152 -10.192 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 34 70.282 -9.065 -0.259 1.00 0.00 H new ATOM 556 N GLY A 35 72.346 -9.228 1.038 1.00 0.00 N ATOM 557 CA GLY A 35 73.150 -8.136 1.566 1.00 0.00 C ATOM 558 C GLY A 35 73.218 -6.998 0.578 1.00 0.00 C ATOM 559 O GLY A 35 73.875 -7.080 -0.461 1.00 0.00 O ATOM 0 H GLY A 35 72.361 -9.328 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.723 -7.784 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 35 74.156 -8.492 1.788 1.00 0.00 H new ATOM 563 N ILE A 36 72.580 -5.916 0.962 1.00 0.00 N ATOM 564 CA ILE A 36 72.585 -4.703 0.186 1.00 0.00 C ATOM 565 C ILE A 36 72.363 -3.558 1.160 1.00 0.00 C ATOM 566 O ILE A 36 71.334 -3.509 1.832 1.00 0.00 O ATOM 567 CB ILE A 36 71.494 -4.710 -0.905 1.00 0.00 C ATOM 568 CG1 ILE A 36 70.466 -5.835 -0.666 1.00 0.00 C ATOM 569 CG2 ILE A 36 72.152 -4.911 -2.273 1.00 0.00 C ATOM 570 CD1 ILE A 36 69.101 -5.220 -0.370 1.00 0.00 C ATOM 0 H ILE A 36 72.041 -5.855 1.826 1.00 0.00 H new ATOM 0 HA ILE A 36 73.535 -4.599 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 36 70.969 -3.755 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 36 70.404 -6.479 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.783 -6.462 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.386 -4.917 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 36 72.853 -4.098 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.686 -5.861 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 68.373 -6.014 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 36 69.169 -4.594 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 36 68.784 -4.612 -1.217 1.00 0.00 H new ATOM 582 N PRO A 37 73.281 -2.653 1.263 1.00 0.00 N ATOM 583 CA PRO A 37 73.138 -1.516 2.198 1.00 0.00 C ATOM 584 C PRO A 37 72.082 -0.504 1.724 1.00 0.00 C ATOM 585 O PRO A 37 71.979 -0.219 0.531 1.00 0.00 O ATOM 586 CB PRO A 37 74.539 -0.896 2.263 1.00 0.00 C ATOM 587 CG PRO A 37 75.432 -1.697 1.363 1.00 0.00 C ATOM 588 CD PRO A 37 74.546 -2.612 0.527 1.00 0.00 C ATOM 0 HA PRO A 37 72.785 -1.837 3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 37 74.511 0.146 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 37 74.916 -0.908 3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 37 76.017 -1.039 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 37 76.141 -2.282 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 37 74.408 -2.221 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.982 -3.606 0.427 1.00 0.00 H new ATOM 596 N PRO A 38 71.298 0.030 2.635 1.00 0.00 N ATOM 597 CA PRO A 38 70.232 1.020 2.301 1.00 0.00 C ATOM 598 C PRO A 38 70.764 2.175 1.457 1.00 0.00 C ATOM 599 O PRO A 38 70.022 2.802 0.702 1.00 0.00 O ATOM 600 CB PRO A 38 69.734 1.550 3.652 1.00 0.00 C ATOM 601 CG PRO A 38 70.520 0.856 4.718 1.00 0.00 C ATOM 602 CD PRO A 38 71.353 -0.251 4.070 1.00 0.00 C ATOM 0 HA PRO A 38 69.444 0.551 1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.870 2.630 3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.668 1.356 3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 38 71.169 1.565 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.850 0.435 5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 38 72.380 -0.239 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 38 70.945 -1.236 4.296 1.00 0.00 H new ATOM 610 N ASP A 39 72.049 2.467 1.615 1.00 0.00 N ATOM 611 CA ASP A 39 72.673 3.567 0.891 1.00 0.00 C ATOM 612 C ASP A 39 72.564 3.384 -0.620 1.00 0.00 C ATOM 613 O ASP A 39 72.495 4.365 -1.362 1.00 0.00 O ATOM 614 CB ASP A 39 74.148 3.672 1.284 1.00 0.00 C ATOM 615 CG ASP A 39 74.781 4.889 0.617 1.00 0.00 C ATOM 616 OD1 ASP A 39 74.503 5.993 1.057 1.00 0.00 O ATOM 617 OD2 ASP A 39 75.536 4.700 -0.322 1.00 0.00 O ATOM 0 H ASP A 39 72.678 1.959 2.237 1.00 0.00 H new ATOM 0 HA ASP A 39 72.146 4.482 1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 39 74.239 3.752 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 74.678 2.767 0.986 1.00 0.00 H new ATOM 622 N GLN A 40 72.565 2.134 -1.080 1.00 0.00 N ATOM 623 CA GLN A 40 72.483 1.865 -2.516 1.00 0.00 C ATOM 624 C GLN A 40 71.142 1.243 -2.912 1.00 0.00 C ATOM 625 O GLN A 40 70.978 0.812 -4.054 1.00 0.00 O ATOM 626 CB GLN A 40 73.621 0.926 -2.933 1.00 0.00 C ATOM 627 CG GLN A 40 74.954 1.422 -2.348 1.00 0.00 C ATOM 628 CD GLN A 40 76.054 1.367 -3.406 1.00 0.00 C ATOM 629 OE1 GLN A 40 76.563 0.290 -3.717 1.00 0.00 O ATOM 630 NE2 GLN A 40 76.450 2.470 -3.981 1.00 0.00 N ATOM 0 H GLN A 40 72.621 1.303 -0.491 1.00 0.00 H new ATOM 0 HA GLN A 40 72.572 2.821 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.415 -0.086 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.686 0.881 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.841 2.443 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 40 75.233 0.808 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 40 76.027 3.361 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 77.183 2.441 -4.690 1.00 0.00 H new ATOM 639 N GLN A 41 70.183 1.194 -1.985 1.00 0.00 N ATOM 640 CA GLN A 41 68.874 0.612 -2.300 1.00 0.00 C ATOM 641 C GLN A 41 67.774 1.678 -2.309 1.00 0.00 C ATOM 642 O GLN A 41 67.593 2.409 -1.338 1.00 0.00 O ATOM 643 CB GLN A 41 68.521 -0.482 -1.284 1.00 0.00 C ATOM 644 CG GLN A 41 69.080 -1.829 -1.747 1.00 0.00 C ATOM 645 CD GLN A 41 70.514 -1.666 -2.241 1.00 0.00 C ATOM 646 OE1 GLN A 41 71.420 -1.409 -1.450 1.00 0.00 O ATOM 647 NE2 GLN A 41 70.774 -1.807 -3.512 1.00 0.00 N ATOM 0 H GLN A 41 70.282 1.541 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 41 68.938 0.177 -3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.929 -0.227 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.439 -0.548 -1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 41 69.050 -2.544 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 41 68.457 -2.234 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.021 -2.020 -4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.730 -1.704 -3.851 1.00 0.00 H new ATOM 656 N ARG A 42 67.033 1.745 -3.419 1.00 0.00 N ATOM 657 CA ARG A 42 65.934 2.706 -3.558 1.00 0.00 C ATOM 658 C ARG A 42 64.662 2.002 -4.043 1.00 0.00 C ATOM 659 O ARG A 42 64.730 1.110 -4.887 1.00 0.00 O ATOM 660 CB ARG A 42 66.322 3.806 -4.550 1.00 0.00 C ATOM 661 CG ARG A 42 67.674 4.400 -4.147 1.00 0.00 C ATOM 662 CD ARG A 42 67.911 5.709 -4.904 1.00 0.00 C ATOM 663 NE ARG A 42 69.142 6.343 -4.441 1.00 0.00 N ATOM 664 CZ ARG A 42 70.333 5.836 -4.741 1.00 0.00 C ATOM 665 NH1 ARG A 42 70.673 4.660 -4.294 1.00 0.00 N ATOM 666 NH2 ARG A 42 71.165 6.516 -5.481 1.00 0.00 N ATOM 0 H ARG A 42 67.173 1.147 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 42 65.740 3.151 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.378 3.398 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.559 4.585 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.696 4.581 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 42 68.473 3.692 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 42 67.975 5.512 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 42 67.067 6.383 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 42 69.087 7.191 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 42 70.025 4.128 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 71.587 4.272 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 42 70.901 7.438 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 42 72.079 6.126 -5.711 1.00 0.00 H new ATOM 680 N LEU A 43 63.503 2.414 -3.517 1.00 0.00 N ATOM 681 CA LEU A 43 62.226 1.811 -3.923 1.00 0.00 C ATOM 682 C LEU A 43 61.294 2.868 -4.517 1.00 0.00 C ATOM 683 O LEU A 43 61.501 4.067 -4.330 1.00 0.00 O ATOM 684 CB LEU A 43 61.531 1.151 -2.726 1.00 0.00 C ATOM 685 CG LEU A 43 62.544 0.363 -1.893 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.856 -0.184 -0.636 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.094 -0.801 -2.722 1.00 0.00 C ATOM 0 H LEU A 43 63.421 3.153 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 43 62.444 1.054 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 61.055 1.912 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 60.742 0.486 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 43 63.364 1.020 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.577 -0.746 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.466 0.645 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.036 -0.840 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.816 -1.362 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 43 62.275 -1.459 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 63.583 -0.412 -3.615 1.00 0.00 H new ATOM 699 N ILE A 44 60.264 2.413 -5.234 1.00 0.00 N ATOM 700 CA ILE A 44 59.301 3.325 -5.854 1.00 0.00 C ATOM 701 C ILE A 44 57.871 2.831 -5.633 1.00 0.00 C ATOM 702 O ILE A 44 57.613 1.628 -5.651 1.00 0.00 O ATOM 703 CB ILE A 44 59.581 3.437 -7.355 1.00 0.00 C ATOM 704 CG1 ILE A 44 61.093 3.504 -7.590 1.00 0.00 C ATOM 705 CG2 ILE A 44 58.925 4.705 -7.912 1.00 0.00 C ATOM 706 CD1 ILE A 44 61.382 3.660 -9.088 1.00 0.00 C ATOM 0 H ILE A 44 60.076 1.424 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 44 59.407 4.306 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 44 59.170 2.564 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 44 61.519 4.343 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.569 2.600 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 44 59.127 4.780 -8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 44 57.848 4.659 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 44 59.332 5.579 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.459 3.707 -9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 44 60.972 2.807 -9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 44 60.921 4.577 -9.454 1.00 0.00 H new ATOM 718 N PHE A 45 56.945 3.767 -5.427 1.00 0.00 N ATOM 719 CA PHE A 45 55.542 3.414 -5.204 1.00 0.00 C ATOM 720 C PHE A 45 54.614 4.412 -5.900 1.00 0.00 C ATOM 721 O PHE A 45 54.700 5.618 -5.669 1.00 0.00 O ATOM 722 CB PHE A 45 55.248 3.395 -3.696 1.00 0.00 C ATOM 723 CG PHE A 45 53.769 3.611 -3.453 1.00 0.00 C ATOM 724 CD1 PHE A 45 52.880 2.536 -3.554 1.00 0.00 C ATOM 725 CD2 PHE A 45 53.291 4.888 -3.130 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.512 2.736 -3.330 1.00 0.00 C ATOM 727 CE2 PHE A 45 51.923 5.087 -2.908 1.00 0.00 C ATOM 728 CZ PHE A 45 51.033 4.011 -3.008 1.00 0.00 C ATOM 0 H PHE A 45 57.138 4.768 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 45 55.362 2.425 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.560 2.442 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.824 4.173 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.248 1.552 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 45 53.977 5.718 -3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 45 50.826 1.905 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 45 51.554 6.071 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 45 49.978 4.165 -2.837 1.00 0.00 H new ATOM 738 N ALA A 46 53.723 3.896 -6.743 1.00 0.00 N ATOM 739 CA ALA A 46 52.774 4.746 -7.459 1.00 0.00 C ATOM 740 C ALA A 46 53.482 5.942 -8.085 1.00 0.00 C ATOM 741 O ALA A 46 53.015 7.076 -7.978 1.00 0.00 O ATOM 742 CB ALA A 46 51.686 5.239 -6.500 1.00 0.00 C ATOM 0 H ALA A 46 53.638 2.900 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 46 52.319 4.155 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 46 50.983 5.872 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.156 4.384 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.144 5.813 -5.694 1.00 0.00 H new ATOM 748 N GLY A 47 54.613 5.686 -8.733 1.00 0.00 N ATOM 749 CA GLY A 47 55.374 6.759 -9.364 1.00 0.00 C ATOM 750 C GLY A 47 56.094 7.589 -8.312 1.00 0.00 C ATOM 751 O GLY A 47 57.050 8.305 -8.613 1.00 0.00 O ATOM 0 H GLY A 47 55.020 4.756 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.098 6.338 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 54.705 7.396 -9.943 1.00 0.00 H new ATOM 755 N LYS A 48 55.627 7.484 -7.072 1.00 0.00 N ATOM 756 CA LYS A 48 56.226 8.225 -5.971 1.00 0.00 C ATOM 757 C LYS A 48 57.466 7.497 -5.463 1.00 0.00 C ATOM 758 O LYS A 48 57.377 6.381 -4.952 1.00 0.00 O ATOM 759 CB LYS A 48 55.200 8.375 -4.838 1.00 0.00 C ATOM 760 CG LYS A 48 55.355 9.742 -4.160 1.00 0.00 C ATOM 761 CD LYS A 48 54.131 10.019 -3.279 1.00 0.00 C ATOM 762 CE LYS A 48 52.905 10.334 -4.147 1.00 0.00 C ATOM 763 NZ LYS A 48 53.325 11.037 -5.392 1.00 0.00 N ATOM 0 H LYS A 48 54.838 6.895 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 48 56.522 9.214 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.191 8.271 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.338 7.580 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.262 9.759 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 55.458 10.523 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 53.925 9.154 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 48 54.337 10.857 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 52.382 9.412 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 48 52.204 10.955 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 52.491 11.453 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.001 11.791 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 53.776 10.359 -6.038 1.00 0.00 H new ATOM 777 N GLN A 49 58.621 8.134 -5.612 1.00 0.00 N ATOM 778 CA GLN A 49 59.875 7.534 -5.173 1.00 0.00 C ATOM 779 C GLN A 49 59.982 7.536 -3.652 1.00 0.00 C ATOM 780 O GLN A 49 59.885 8.583 -3.013 1.00 0.00 O ATOM 781 CB GLN A 49 61.062 8.298 -5.769 1.00 0.00 C ATOM 782 CG GLN A 49 60.826 9.810 -5.655 1.00 0.00 C ATOM 783 CD GLN A 49 60.002 10.310 -6.838 1.00 0.00 C ATOM 784 OE1 GLN A 49 58.954 10.928 -6.648 1.00 0.00 O ATOM 785 NE2 GLN A 49 60.414 10.082 -8.056 1.00 0.00 N ATOM 0 H GLN A 49 58.716 9.059 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 49 59.892 6.501 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.979 8.025 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 49 61.195 8.021 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.309 10.034 -4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.782 10.332 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 49 61.282 9.570 -8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.868 10.416 -8.850 1.00 0.00 H new ATOM 794 N LEU A 50 60.205 6.359 -3.077 1.00 0.00 N ATOM 795 CA LEU A 50 60.348 6.250 -1.632 1.00 0.00 C ATOM 796 C LEU A 50 61.755 6.736 -1.248 1.00 0.00 C ATOM 797 O LEU A 50 62.722 6.505 -1.976 1.00 0.00 O ATOM 798 CB LEU A 50 60.062 4.802 -1.194 1.00 0.00 C ATOM 799 CG LEU A 50 58.566 4.481 -1.418 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.245 3.094 -0.854 1.00 0.00 C ATOM 801 CD2 LEU A 50 57.680 5.530 -0.728 1.00 0.00 C ATOM 0 H LEU A 50 60.290 5.478 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 50 59.627 6.878 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.683 4.110 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.320 4.671 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 50 58.364 4.498 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.190 2.872 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.854 2.345 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.462 3.076 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 50 56.631 5.288 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 50 57.885 5.532 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 50 57.895 6.516 -1.140 1.00 0.00 H new ATOM 813 N GLU A 51 61.832 7.516 -0.166 1.00 0.00 N ATOM 814 CA GLU A 51 63.088 8.167 0.246 1.00 0.00 C ATOM 815 C GLU A 51 63.937 7.428 1.301 1.00 0.00 C ATOM 816 O GLU A 51 63.697 6.286 1.674 1.00 0.00 O ATOM 817 CB GLU A 51 62.751 9.573 0.775 1.00 0.00 C ATOM 818 CG GLU A 51 62.693 10.582 -0.383 1.00 0.00 C ATOM 819 CD GLU A 51 61.376 10.443 -1.139 1.00 0.00 C ATOM 820 OE1 GLU A 51 60.701 9.447 -0.939 1.00 0.00 O ATOM 821 OE2 GLU A 51 61.061 11.336 -1.907 1.00 0.00 O ATOM 0 H GLU A 51 61.040 7.715 0.445 1.00 0.00 H new ATOM 0 HA GLU A 51 63.711 8.176 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 61.794 9.553 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.502 9.885 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.793 11.596 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 51 63.529 10.416 -1.062 1.00 0.00 H new ATOM 828 N ASP A 52 64.952 8.177 1.737 1.00 0.00 N ATOM 829 CA ASP A 52 65.962 7.791 2.734 1.00 0.00 C ATOM 830 C ASP A 52 65.395 7.168 4.002 1.00 0.00 C ATOM 831 O ASP A 52 66.127 6.996 4.975 1.00 0.00 O ATOM 832 CB ASP A 52 66.798 9.012 3.123 1.00 0.00 C ATOM 833 CG ASP A 52 68.197 8.579 3.554 1.00 0.00 C ATOM 834 OD1 ASP A 52 68.303 7.563 4.223 1.00 0.00 O ATOM 835 OD2 ASP A 52 69.142 9.267 3.206 1.00 0.00 O ATOM 0 H ASP A 52 65.103 9.123 1.386 1.00 0.00 H new ATOM 0 HA ASP A 52 66.567 7.023 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 66.866 9.699 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 66.310 9.552 3.935 1.00 0.00 H new ATOM 840 N GLY A 53 64.104 6.898 4.041 1.00 0.00 N ATOM 841 CA GLY A 53 63.497 6.383 5.265 1.00 0.00 C ATOM 842 C GLY A 53 62.432 7.315 5.802 1.00 0.00 C ATOM 843 O GLY A 53 62.266 7.482 7.010 1.00 0.00 O ATOM 0 H GLY A 53 63.461 7.022 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 53 63.058 5.405 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 53 64.269 6.240 6.021 1.00 0.00 H new ATOM 847 N ARG A 54 61.620 7.802 4.864 1.00 0.00 N ATOM 848 CA ARG A 54 60.454 8.584 5.209 1.00 0.00 C ATOM 849 C ARG A 54 59.425 7.525 5.532 1.00 0.00 C ATOM 850 O ARG A 54 59.632 6.368 5.167 1.00 0.00 O ATOM 851 CB ARG A 54 59.975 9.434 4.020 1.00 0.00 C ATOM 852 CG ARG A 54 60.569 10.845 4.117 1.00 0.00 C ATOM 853 CD ARG A 54 62.098 10.763 4.175 1.00 0.00 C ATOM 854 NE ARG A 54 62.689 11.795 3.330 1.00 0.00 N ATOM 855 CZ ARG A 54 64.003 11.986 3.298 1.00 0.00 C ATOM 856 NH1 ARG A 54 64.716 11.781 4.372 1.00 0.00 N ATOM 857 NH2 ARG A 54 64.579 12.374 2.192 1.00 0.00 N ATOM 0 H ARG A 54 61.756 7.664 3.863 1.00 0.00 H new ATOM 0 HA ARG A 54 60.643 9.285 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.276 8.967 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.886 9.487 4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 54 60.260 11.439 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 54 60.189 11.349 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 54 62.438 10.886 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 62.430 9.778 3.845 1.00 0.00 H new ATOM 0 HE ARG A 54 62.083 12.380 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 54 64.264 11.475 5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 54 65.725 11.927 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 54 64.020 12.530 1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 54 65.588 12.521 2.167 1.00 0.00 H new ATOM 871 N THR A 55 58.348 7.837 6.224 1.00 0.00 N ATOM 872 CA THR A 55 57.422 6.760 6.533 1.00 0.00 C ATOM 873 C THR A 55 56.433 6.522 5.398 1.00 0.00 C ATOM 874 O THR A 55 55.964 7.453 4.746 1.00 0.00 O ATOM 875 CB THR A 55 56.673 7.109 7.807 1.00 0.00 C ATOM 876 OG1 THR A 55 57.591 7.165 8.890 1.00 0.00 O ATOM 877 CG2 THR A 55 55.610 6.057 8.097 1.00 0.00 C ATOM 0 H THR A 55 58.099 8.765 6.566 1.00 0.00 H new ATOM 0 HA THR A 55 57.992 5.841 6.667 1.00 0.00 H new ATOM 0 HB THR A 55 56.188 8.077 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 55 57.111 7.392 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 55 55.080 6.318 9.013 1.00 0.00 H new ATOM 0 HG22 THR A 55 54.904 6.015 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 55 56.085 5.083 8.218 1.00 0.00 H new ATOM 885 N LEU A 56 56.118 5.245 5.198 1.00 0.00 N ATOM 886 CA LEU A 56 55.174 4.820 4.175 1.00 0.00 C ATOM 887 C LEU A 56 53.722 5.054 4.571 1.00 0.00 C ATOM 888 O LEU A 56 52.875 5.324 3.718 1.00 0.00 O ATOM 889 CB LEU A 56 55.434 3.368 3.794 1.00 0.00 C ATOM 890 CG LEU A 56 56.121 3.332 2.415 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.499 3.977 2.527 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.286 1.891 1.915 1.00 0.00 C ATOM 0 H LEU A 56 56.512 4.477 5.742 1.00 0.00 H new ATOM 0 HA LEU A 56 55.339 5.445 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.065 2.889 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.497 2.812 3.763 1.00 0.00 H new ATOM 0 HG LEU A 56 55.497 3.876 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.991 3.955 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.391 5.011 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.101 3.427 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 56 56.774 1.898 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 56.896 1.328 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.306 1.422 1.827 1.00 0.00 H new ATOM 904 N SER A 57 53.422 4.942 5.857 1.00 0.00 N ATOM 905 CA SER A 57 52.055 5.141 6.298 1.00 0.00 C ATOM 906 C SER A 57 51.626 6.502 5.825 1.00 0.00 C ATOM 907 O SER A 57 50.477 6.716 5.436 1.00 0.00 O ATOM 908 CB SER A 57 51.952 5.059 7.823 1.00 0.00 C ATOM 909 OG SER A 57 50.744 5.680 8.244 1.00 0.00 O ATOM 0 H SER A 57 54.090 4.720 6.595 1.00 0.00 H new ATOM 0 HA SER A 57 51.412 4.363 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 51.971 4.018 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 52.808 5.551 8.284 1.00 0.00 H new ATOM 0 HG SER A 57 50.673 5.629 9.220 1.00 0.00 H new ATOM 915 N ASP A 58 52.596 7.412 5.801 1.00 0.00 N ATOM 916 CA ASP A 58 52.367 8.757 5.305 1.00 0.00 C ATOM 917 C ASP A 58 52.229 8.698 3.785 1.00 0.00 C ATOM 918 O ASP A 58 51.571 9.539 3.172 1.00 0.00 O ATOM 919 CB ASP A 58 53.536 9.669 5.689 1.00 0.00 C ATOM 920 CG ASP A 58 53.392 10.122 7.140 1.00 0.00 C ATOM 921 OD1 ASP A 58 52.652 11.064 7.375 1.00 0.00 O ATOM 922 OD2 ASP A 58 54.023 9.522 7.993 1.00 0.00 O ATOM 0 H ASP A 58 53.549 7.237 6.121 1.00 0.00 H new ATOM 0 HA ASP A 58 51.457 9.162 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 58 54.479 9.139 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 58 53.563 10.537 5.030 1.00 0.00 H new ATOM 927 N TYR A 59 52.863 7.681 3.186 1.00 0.00 N ATOM 928 CA TYR A 59 52.814 7.499 1.737 1.00 0.00 C ATOM 929 C TYR A 59 51.494 6.853 1.338 1.00 0.00 C ATOM 930 O TYR A 59 51.257 6.583 0.160 1.00 0.00 O ATOM 931 CB TYR A 59 53.976 6.616 1.263 1.00 0.00 C ATOM 932 CG TYR A 59 55.170 7.472 0.962 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.075 8.454 -0.023 1.00 0.00 C ATOM 934 CD2 TYR A 59 56.367 7.292 1.662 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.178 9.265 -0.312 1.00 0.00 C ATOM 936 CE2 TYR A 59 57.472 8.103 1.373 1.00 0.00 C ATOM 937 CZ TYR A 59 57.377 9.090 0.386 1.00 0.00 C ATOM 938 OH TYR A 59 58.465 9.890 0.103 1.00 0.00 O ATOM 0 H TYR A 59 53.411 6.978 3.682 1.00 0.00 H new ATOM 0 HA TYR A 59 52.899 8.478 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.226 5.884 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.683 6.058 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 59 54.150 8.589 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 59 56.439 6.530 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 59 56.103 10.026 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 58.398 7.966 1.912 1.00 0.00 H new ATOM 0 HH TYR A 59 59.022 9.457 -0.577 1.00 0.00 H new ATOM 948 N ASN A 60 50.635 6.612 2.323 1.00 0.00 N ATOM 949 CA ASN A 60 49.341 6.003 2.056 1.00 0.00 C ATOM 950 C ASN A 60 49.514 4.652 1.370 1.00 0.00 C ATOM 951 O ASN A 60 48.827 4.353 0.393 1.00 0.00 O ATOM 952 CB ASN A 60 48.510 6.926 1.160 1.00 0.00 C ATOM 953 CG ASN A 60 48.629 8.369 1.640 1.00 0.00 C ATOM 954 OD1 ASN A 60 48.020 8.745 2.642 1.00 0.00 O ATOM 955 ND2 ASN A 60 49.383 9.206 0.980 1.00 0.00 N ATOM 0 H ASN A 60 50.811 6.827 3.304 1.00 0.00 H new ATOM 0 HA ASN A 60 48.828 5.852 3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 60 48.852 6.848 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 47.465 6.615 1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 60 49.468 10.173 1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 60 49.887 8.893 0.150 1.00 0.00 H new ATOM 962 N ILE A 61 50.438 3.836 1.873 1.00 0.00 N ATOM 963 CA ILE A 61 50.671 2.531 1.270 1.00 0.00 C ATOM 964 C ILE A 61 49.445 1.646 1.421 1.00 0.00 C ATOM 965 O ILE A 61 48.734 1.679 2.425 1.00 0.00 O ATOM 966 CB ILE A 61 51.893 1.843 1.853 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.135 2.676 1.545 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.050 0.450 1.235 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.248 2.956 0.038 1.00 0.00 C ATOM 0 H ILE A 61 51.025 4.051 2.679 1.00 0.00 H new ATOM 0 HA ILE A 61 50.863 2.696 0.210 1.00 0.00 H new ATOM 0 HB ILE A 61 51.772 1.746 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.091 3.618 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.025 2.150 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 61 52.928 -0.038 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.164 -0.146 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.170 0.542 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.141 3.551 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.316 2.012 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.367 3.504 -0.297 1.00 0.00 H new ATOM 981 N GLN A 62 49.181 0.922 0.343 1.00 0.00 N ATOM 982 CA GLN A 62 48.007 0.074 0.224 1.00 0.00 C ATOM 983 C GLN A 62 48.264 -1.389 0.598 1.00 0.00 C ATOM 984 O GLN A 62 49.361 -1.787 0.983 1.00 0.00 O ATOM 985 CB GLN A 62 47.524 0.156 -1.234 1.00 0.00 C ATOM 986 CG GLN A 62 46.217 -0.620 -1.426 1.00 0.00 C ATOM 987 CD GLN A 62 45.494 -0.152 -2.687 1.00 0.00 C ATOM 988 OE1 GLN A 62 45.641 1.075 -3.107 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 44.774 -0.932 -3.311 1.00 0.00 N flip ATOM 0 H GLN A 62 49.782 0.908 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 62 47.257 0.434 0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.376 1.199 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 62 48.290 -0.246 -1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 62 46.428 -1.687 -1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 45.573 -0.479 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 62 44.658 -1.891 -2.984 1.00 0.00 H new ATOM 0 HE22 GLN A 62 44.294 -0.619 -4.155 1.00 0.00 H new ATOM 998 N LYS A 63 47.180 -2.139 0.465 1.00 0.00 N ATOM 999 CA LYS A 63 47.071 -3.571 0.733 1.00 0.00 C ATOM 1000 C LYS A 63 48.237 -4.420 0.222 1.00 0.00 C ATOM 1001 O LYS A 63 48.013 -5.575 -0.109 1.00 0.00 O ATOM 1002 CB LYS A 63 45.770 -4.109 0.135 1.00 0.00 C ATOM 1003 CG LYS A 63 44.570 -3.443 0.824 1.00 0.00 C ATOM 1004 CD LYS A 63 43.322 -4.321 0.669 1.00 0.00 C ATOM 1005 CE LYS A 63 42.271 -3.892 1.696 1.00 0.00 C ATOM 1006 NZ LYS A 63 42.003 -2.432 1.554 1.00 0.00 N ATOM 0 H LYS A 63 46.296 -1.742 0.147 1.00 0.00 H new ATOM 0 HA LYS A 63 47.088 -3.659 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.742 -3.912 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 45.720 -5.191 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 44.787 -3.288 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.390 -2.460 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 42.921 -4.227 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 63 43.581 -5.370 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 41.351 -4.457 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 63 42.622 -4.112 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 41.101 -2.198 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.772 -1.893 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.949 -2.185 0.545 1.00 0.00 H new ATOM 1020 N GLU A 64 49.444 -3.861 0.114 1.00 0.00 N ATOM 1021 CA GLU A 64 50.600 -4.605 -0.423 1.00 0.00 C ATOM 1022 C GLU A 64 50.778 -4.414 -1.921 1.00 0.00 C ATOM 1023 O GLU A 64 50.906 -5.354 -2.702 1.00 0.00 O ATOM 1024 CB GLU A 64 50.480 -6.110 -0.089 1.00 0.00 C ATOM 1025 CG GLU A 64 49.626 -6.875 -1.133 1.00 0.00 C ATOM 1026 CD GLU A 64 50.506 -7.783 -1.985 1.00 0.00 C ATOM 1027 OE1 GLU A 64 51.160 -8.643 -1.419 1.00 0.00 O ATOM 1028 OE2 GLU A 64 50.512 -7.607 -3.193 1.00 0.00 O ATOM 0 H GLU A 64 49.652 -2.901 0.388 1.00 0.00 H new ATOM 0 HA GLU A 64 51.487 -4.195 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 64 51.476 -6.551 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 64 50.034 -6.227 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 64 48.866 -7.469 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 49.101 -6.165 -1.772 1.00 0.00 H new ATOM 1035 N SER A 65 50.841 -3.139 -2.275 1.00 0.00 N ATOM 1036 CA SER A 65 51.070 -2.709 -3.642 1.00 0.00 C ATOM 1037 C SER A 65 52.427 -3.190 -4.148 1.00 0.00 C ATOM 1038 O SER A 65 53.349 -3.412 -3.364 1.00 0.00 O ATOM 1039 CB SER A 65 51.069 -1.198 -3.695 1.00 0.00 C ATOM 1040 OG SER A 65 52.310 -0.709 -3.203 1.00 0.00 O ATOM 0 H SER A 65 50.733 -2.369 -1.614 1.00 0.00 H new ATOM 0 HA SER A 65 50.280 -3.129 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 50.912 -0.859 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.247 -0.802 -3.098 1.00 0.00 H new ATOM 0 HG SER A 65 52.152 0.078 -2.641 1.00 0.00 H new ATOM 1046 N THR A 66 52.538 -3.337 -5.465 1.00 0.00 N ATOM 1047 CA THR A 66 53.785 -3.779 -6.082 1.00 0.00 C ATOM 1048 C THR A 66 54.716 -2.593 -6.362 1.00 0.00 C ATOM 1049 O THR A 66 54.401 -1.732 -7.183 1.00 0.00 O ATOM 1050 CB THR A 66 53.479 -4.494 -7.401 1.00 0.00 C ATOM 1051 OG1 THR A 66 54.638 -4.480 -8.222 1.00 0.00 O ATOM 1052 CG2 THR A 66 52.331 -3.782 -8.122 1.00 0.00 C ATOM 0 H THR A 66 51.781 -3.157 -6.125 1.00 0.00 H new ATOM 0 HA THR A 66 54.283 -4.458 -5.390 1.00 0.00 H new ATOM 0 HB THR A 66 53.188 -5.524 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 66 54.446 -4.938 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 66 52.117 -4.294 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 66 51.442 -3.794 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 66 52.616 -2.750 -8.329 1.00 0.00 H new ATOM 1060 N LEU A 67 55.877 -2.567 -5.700 1.00 0.00 N ATOM 1061 CA LEU A 67 56.850 -1.492 -5.921 1.00 0.00 C ATOM 1062 C LEU A 67 57.915 -1.979 -6.898 1.00 0.00 C ATOM 1063 O LEU A 67 58.364 -3.122 -6.819 1.00 0.00 O ATOM 1064 CB LEU A 67 57.521 -1.063 -4.603 1.00 0.00 C ATOM 1065 CG LEU A 67 56.513 -0.322 -3.719 1.00 0.00 C ATOM 1066 CD1 LEU A 67 55.570 -1.325 -3.047 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.271 0.462 -2.645 1.00 0.00 C ATOM 0 H LEU A 67 56.164 -3.267 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 67 56.325 -0.629 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 67 57.903 -1.939 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.375 -0.419 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 67 55.926 0.361 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 67 54.856 -0.790 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.032 -1.887 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 56.149 -2.013 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 67 56.560 0.992 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 57.856 -0.227 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 57.938 1.180 -3.122 1.00 0.00 H new ATOM 1079 N HIS A 68 58.299 -1.116 -7.832 1.00 0.00 N ATOM 1080 CA HIS A 68 59.295 -1.486 -8.834 1.00 0.00 C ATOM 1081 C HIS A 68 60.711 -1.322 -8.297 1.00 0.00 C ATOM 1082 O HIS A 68 61.006 -0.385 -7.556 1.00 0.00 O ATOM 1083 CB HIS A 68 59.124 -0.616 -10.078 1.00 0.00 C ATOM 1084 CG HIS A 68 57.708 -0.717 -10.570 1.00 0.00 C ATOM 1085 ND1 HIS A 68 56.959 -1.875 -10.438 1.00 0.00 N ATOM 1086 CD2 HIS A 68 56.891 0.188 -11.201 1.00 0.00 C ATOM 1087 CE1 HIS A 68 55.751 -1.640 -10.979 1.00 0.00 C ATOM 1088 NE2 HIS A 68 55.654 -0.397 -11.459 1.00 0.00 N ATOM 0 H HIS A 68 57.941 -0.165 -7.917 1.00 0.00 H new ATOM 0 HA HIS A 68 59.142 -2.535 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 68 59.366 0.421 -9.846 1.00 0.00 H new ATOM 0 HB3 HIS A 68 59.815 -0.938 -10.857 1.00 0.00 H new ATOM 0 HD2 HIS A 68 57.166 1.200 -11.458 1.00 0.00 H new ATOM 0 HE1 HIS A 68 54.955 -2.368 -11.021 1.00 0.00 H new ATOM 0 HE2 HIS A 68 54.848 0.031 -11.916 1.00 0.00 H new ATOM 1096 N LEU A 69 61.584 -2.247 -8.690 1.00 0.00 N ATOM 1097 CA LEU A 69 62.979 -2.217 -8.262 1.00 0.00 C ATOM 1098 C LEU A 69 63.894 -2.132 -9.481 1.00 0.00 C ATOM 1099 O LEU A 69 63.930 -3.046 -10.304 1.00 0.00 O ATOM 1100 CB LEU A 69 63.298 -3.487 -7.459 1.00 0.00 C ATOM 1101 CG LEU A 69 64.424 -3.218 -6.452 1.00 0.00 C ATOM 1102 CD1 LEU A 69 65.636 -2.632 -7.180 1.00 0.00 C ATOM 1103 CD2 LEU A 69 63.942 -2.232 -5.373 1.00 0.00 C ATOM 0 H LEU A 69 61.349 -3.027 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 69 63.143 -1.342 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.405 -3.826 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.592 -4.288 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 69 64.706 -4.157 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.434 -2.442 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.985 -3.339 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.353 -1.697 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.748 -2.047 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.650 -1.293 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.086 -2.657 -4.848 1.00 0.00 H new