USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 460 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 55 THR OG1 : rot -75:sc= 0.919 USER MOD Set 1.2: A 57 SER OG : rot -88:sc= 0.822 USER MOD Set 2.1: A 7 THR OG1 : rot 174:sc= 0.129 USER MOD Set 2.2: A 9 THR OG1 : rot -77:sc= 0.14 USER MOD Single : A 2 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.275 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0475 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -142:sc= 0.316 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0879 F(o=-1.6,f=-0.088) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.008) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -9.11! C(o=-9.1!,f=-18!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -3.02 F(o=-6.1!,f=-3) USER MOD Single : A 41 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -0.38 (180deg=-0.865) USER MOD Single : A 49 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 59 TYR OH : rot 126:sc= 1.23 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLN A 2 -0.376 -5.651 10.264 1.00 0.00 N ATOM 17 CA GLN A 2 0.323 -4.401 10.014 1.00 0.00 C ATOM 18 C GLN A 2 1.385 -4.595 8.930 1.00 0.00 C ATOM 19 O GLN A 2 1.964 -5.673 8.809 1.00 0.00 O ATOM 20 CB GLN A 2 0.945 -3.854 11.300 1.00 0.00 C ATOM 21 CG GLN A 2 2.362 -4.395 11.497 1.00 0.00 C ATOM 22 CD GLN A 2 3.407 -3.367 11.058 1.00 0.00 C ATOM 23 OE1 GLN A 2 3.848 -3.339 9.921 1.00 0.00 O ATOM 24 NE2 GLN A 2 3.776 -2.526 12.019 1.00 0.00 N ATOM 0 HA GLN A 2 -0.400 -3.667 9.659 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.970 -2.765 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.325 -4.129 12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.515 -4.650 12.546 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.487 -5.314 10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.367 -2.605 12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.468 -1.802 11.825 1.00 0.00 H new ATOM 31 N ILE A 3 1.610 -3.534 8.170 1.00 0.00 N ATOM 32 CA ILE A 3 2.593 -3.573 7.101 1.00 0.00 C ATOM 33 C ILE A 3 3.219 -2.186 6.938 1.00 0.00 C ATOM 34 O ILE A 3 2.958 -1.286 7.734 1.00 0.00 O ATOM 35 CB ILE A 3 1.966 -4.120 5.817 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.706 -3.334 5.444 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.691 -5.620 5.936 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.554 -3.234 3.925 1.00 0.00 C ATOM 0 H ILE A 3 1.128 -2.641 8.273 1.00 0.00 H new ATOM 0 HA ILE A 3 3.401 -4.260 7.351 1.00 0.00 H new ATOM 0 HB ILE A 3 2.681 -3.988 5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.171 -3.822 5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.755 -2.334 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.245 -5.983 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.627 -6.148 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.005 -5.800 6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.348 -2.671 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.421 -2.724 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.481 -4.235 3.500 1.00 0.00 H new ATOM 49 N PHE A 4 4.033 -2.059 5.900 1.00 0.00 N ATOM 50 CA PHE A 4 4.698 -0.797 5.622 1.00 0.00 C ATOM 51 C PHE A 4 4.759 -0.529 4.117 1.00 0.00 C ATOM 52 O PHE A 4 4.660 -1.455 3.313 1.00 0.00 O ATOM 53 CB PHE A 4 6.123 -0.914 6.166 1.00 0.00 C ATOM 54 CG PHE A 4 6.200 -1.404 7.613 1.00 0.00 C ATOM 55 CD1 PHE A 4 5.703 -0.636 8.619 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.764 -2.610 7.893 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.775 -1.091 9.961 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.835 -3.065 9.235 1.00 0.00 C ATOM 59 CZ PHE A 4 6.338 -2.297 10.242 1.00 0.00 C ATOM 0 H PHE A 4 4.247 -2.808 5.242 1.00 0.00 H new ATOM 0 HA PHE A 4 4.151 0.023 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.688 -1.597 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.608 0.060 6.097 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.253 0.320 8.397 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.158 -3.221 7.094 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.383 -0.479 10.760 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.284 -4.022 9.457 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.390 -2.644 11.263 1.00 0.00 H new ATOM 68 N VAL A 5 4.922 0.742 3.781 1.00 0.00 N ATOM 69 CA VAL A 5 4.997 1.144 2.386 1.00 0.00 C ATOM 70 C VAL A 5 6.208 2.057 2.187 1.00 0.00 C ATOM 71 O VAL A 5 6.621 2.755 3.112 1.00 0.00 O ATOM 72 CB VAL A 5 3.680 1.793 1.956 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.787 2.366 0.542 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.521 0.801 2.060 1.00 0.00 C ATOM 0 H VAL A 5 5.004 1.507 4.450 1.00 0.00 H new ATOM 0 HA VAL A 5 5.138 0.274 1.745 1.00 0.00 H new ATOM 0 HB VAL A 5 3.475 2.619 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.837 2.821 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.574 3.120 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.027 1.565 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.597 1.288 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.716 -0.055 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.423 0.463 3.091 1.00 0.00 H new ATOM 84 N LYS A 6 6.742 2.024 0.976 1.00 0.00 N ATOM 85 CA LYS A 6 7.896 2.841 0.645 1.00 0.00 C ATOM 86 C LYS A 6 7.458 3.992 -0.264 1.00 0.00 C ATOM 87 O LYS A 6 6.268 4.287 -0.368 1.00 0.00 O ATOM 88 CB LYS A 6 9.011 1.979 0.048 1.00 0.00 C ATOM 89 CG LYS A 6 10.376 2.380 0.611 1.00 0.00 C ATOM 90 CD LYS A 6 11.037 1.206 1.336 1.00 0.00 C ATOM 91 CE LYS A 6 12.442 1.578 1.813 1.00 0.00 C ATOM 92 NZ LYS A 6 13.458 0.755 1.120 1.00 0.00 N ATOM 0 H LYS A 6 6.397 1.444 0.211 1.00 0.00 H new ATOM 0 HA LYS A 6 8.316 3.287 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.819 0.928 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.016 2.085 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.021 2.722 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.258 3.217 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.426 0.910 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.091 0.346 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.629 2.635 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.518 1.430 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.406 1.020 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.287 -0.251 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.395 0.917 0.095 1.00 0.00 H new ATOM 102 N THR A 7 8.442 4.612 -0.898 1.00 0.00 N ATOM 103 CA THR A 7 8.173 5.723 -1.794 1.00 0.00 C ATOM 104 C THR A 7 9.481 6.392 -2.222 1.00 0.00 C ATOM 105 O THR A 7 10.547 6.069 -1.702 1.00 0.00 O ATOM 106 CB THR A 7 7.206 6.676 -1.088 1.00 0.00 C ATOM 107 OG1 THR A 7 7.640 7.972 -1.490 1.00 0.00 O ATOM 108 CG2 THR A 7 7.389 6.676 0.431 1.00 0.00 C ATOM 0 H THR A 7 9.428 4.366 -0.809 1.00 0.00 H new ATOM 0 HA THR A 7 7.702 5.382 -2.716 1.00 0.00 H new ATOM 0 HB THR A 7 6.180 6.397 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.011 8.646 -1.158 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.679 7.369 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.214 5.672 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.405 6.987 0.675 1.00 0.00 H new ATOM 116 N LEU A 8 9.356 7.314 -3.166 1.00 0.00 N ATOM 117 CA LEU A 8 10.515 8.032 -3.669 1.00 0.00 C ATOM 118 C LEU A 8 11.187 8.779 -2.516 1.00 0.00 C ATOM 119 O LEU A 8 12.331 9.216 -2.638 1.00 0.00 O ATOM 120 CB LEU A 8 10.119 8.934 -4.840 1.00 0.00 C ATOM 121 CG LEU A 8 9.325 8.265 -5.964 1.00 0.00 C ATOM 122 CD1 LEU A 8 8.817 9.302 -6.968 1.00 0.00 C ATOM 123 CD2 LEU A 8 10.151 7.170 -6.640 1.00 0.00 C ATOM 0 H LEU A 8 8.470 7.580 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 8 11.252 7.335 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.530 9.764 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.027 9.360 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 8 8.450 7.785 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.256 8.801 -7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.169 10.015 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.664 9.831 -7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.564 6.710 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.056 7.606 -7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.422 6.412 -5.905 1.00 0.00 H new ATOM 134 N THR A 9 10.448 8.903 -1.423 1.00 0.00 N ATOM 135 CA THR A 9 10.959 9.590 -0.249 1.00 0.00 C ATOM 136 C THR A 9 11.551 8.586 0.742 1.00 0.00 C ATOM 137 O THR A 9 12.102 8.974 1.770 1.00 0.00 O ATOM 138 CB THR A 9 9.823 10.427 0.340 1.00 0.00 C ATOM 139 OG1 THR A 9 8.911 9.461 0.857 1.00 0.00 O ATOM 140 CG2 THR A 9 9.018 11.162 -0.733 1.00 0.00 C ATOM 0 H THR A 9 9.500 8.539 -1.326 1.00 0.00 H new ATOM 0 HA THR A 9 11.777 10.262 -0.509 1.00 0.00 H new ATOM 0 HB THR A 9 10.234 11.151 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.401 9.065 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.225 11.741 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.676 11.832 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.579 10.437 -1.419 1.00 0.00 H new ATOM 148 N GLY A 10 11.416 7.314 0.396 1.00 0.00 N ATOM 149 CA GLY A 10 11.931 6.250 1.243 1.00 0.00 C ATOM 150 C GLY A 10 11.452 6.419 2.686 1.00 0.00 C ATOM 151 O GLY A 10 12.213 6.853 3.549 1.00 0.00 O ATOM 0 H GLY A 10 10.958 6.996 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.605 5.284 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.021 6.253 1.215 1.00 0.00 H new ATOM 155 N LYS A 11 10.194 6.065 2.904 1.00 0.00 N ATOM 156 CA LYS A 11 9.605 6.172 4.229 1.00 0.00 C ATOM 157 C LYS A 11 8.850 4.881 4.551 1.00 0.00 C ATOM 158 O LYS A 11 8.936 3.905 3.807 1.00 0.00 O ATOM 159 CB LYS A 11 8.744 7.432 4.332 1.00 0.00 C ATOM 160 CG LYS A 11 9.326 8.412 5.352 1.00 0.00 C ATOM 161 CD LYS A 11 8.569 9.741 5.329 1.00 0.00 C ATOM 162 CE LYS A 11 7.254 9.638 6.104 1.00 0.00 C ATOM 163 NZ LYS A 11 7.339 10.395 7.372 1.00 0.00 N ATOM 0 H LYS A 11 9.566 5.704 2.186 1.00 0.00 H new ATOM 0 HA LYS A 11 10.382 6.284 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.679 7.913 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.729 7.160 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.274 7.977 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.380 8.586 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.190 10.525 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.366 10.030 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.436 10.025 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.029 8.592 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.438 10.314 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.107 10.007 7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.532 11.396 7.166 1.00 0.00 H new ATOM 173 N THR A 12 8.128 4.918 5.661 1.00 0.00 N ATOM 174 CA THR A 12 7.357 3.764 6.092 1.00 0.00 C ATOM 175 C THR A 12 6.070 4.210 6.786 1.00 0.00 C ATOM 176 O THR A 12 6.085 5.140 7.591 1.00 0.00 O ATOM 177 CB THR A 12 8.257 2.898 6.977 1.00 0.00 C ATOM 178 OG1 THR A 12 8.784 1.920 6.085 1.00 0.00 O ATOM 179 CG2 THR A 12 7.462 2.082 7.998 1.00 0.00 C ATOM 0 H THR A 12 8.060 5.729 6.275 1.00 0.00 H new ATOM 0 HA THR A 12 7.037 3.162 5.241 1.00 0.00 H new ATOM 0 HB THR A 12 8.973 3.533 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.951 2.331 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.147 1.485 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.902 2.756 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.769 1.422 7.476 1.00 0.00 H new ATOM 187 N ILE A 13 4.986 3.526 6.450 1.00 0.00 N ATOM 188 CA ILE A 13 3.693 3.841 7.031 1.00 0.00 C ATOM 189 C ILE A 13 3.098 2.578 7.658 1.00 0.00 C ATOM 190 O ILE A 13 2.949 1.559 6.986 1.00 0.00 O ATOM 191 CB ILE A 13 2.782 4.498 5.992 1.00 0.00 C ATOM 192 CG1 ILE A 13 2.906 3.799 4.636 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.059 6.000 5.890 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.147 2.471 4.632 1.00 0.00 C ATOM 0 H ILE A 13 4.977 2.755 5.783 1.00 0.00 H new ATOM 0 HA ILE A 13 3.805 4.573 7.831 1.00 0.00 H new ATOM 0 HB ILE A 13 1.749 4.383 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.516 4.447 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.957 3.622 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.398 6.442 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.880 6.469 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.096 6.160 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.251 1.995 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.556 1.816 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.092 2.654 4.835 1.00 0.00 H new ATOM 205 N THR A 14 2.775 2.686 8.938 1.00 0.00 N ATOM 206 CA THR A 14 2.202 1.566 9.663 1.00 0.00 C ATOM 207 C THR A 14 0.689 1.505 9.440 1.00 0.00 C ATOM 208 O THR A 14 -0.060 2.286 10.026 1.00 0.00 O ATOM 209 CB THR A 14 2.594 1.703 11.135 1.00 0.00 C ATOM 210 OG1 THR A 14 3.965 1.316 11.167 1.00 0.00 O ATOM 211 CG2 THR A 14 1.895 0.674 12.027 1.00 0.00 C ATOM 0 H THR A 14 2.900 3.533 9.492 1.00 0.00 H new ATOM 0 HA THR A 14 2.592 0.617 9.296 1.00 0.00 H new ATOM 0 HB THR A 14 2.352 2.707 11.482 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.301 1.377 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.209 0.816 13.061 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.815 0.803 11.955 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.163 -0.331 11.701 1.00 0.00 H new ATOM 219 N LEU A 15 0.285 0.570 8.593 1.00 0.00 N ATOM 220 CA LEU A 15 -1.125 0.396 8.287 1.00 0.00 C ATOM 221 C LEU A 15 -1.662 -0.820 9.042 1.00 0.00 C ATOM 222 O LEU A 15 -0.896 -1.563 9.654 1.00 0.00 O ATOM 223 CB LEU A 15 -1.339 0.324 6.773 1.00 0.00 C ATOM 224 CG LEU A 15 -1.749 1.630 6.091 1.00 0.00 C ATOM 225 CD1 LEU A 15 -3.268 1.703 5.915 1.00 0.00 C ATOM 226 CD2 LEU A 15 -1.200 2.841 6.848 1.00 0.00 C ATOM 0 H LEU A 15 0.909 -0.075 8.109 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.697 1.259 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.417 -0.029 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.104 -0.425 6.569 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.308 1.648 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.533 2.641 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.604 0.868 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.750 1.652 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.506 3.756 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.590 2.841 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.112 2.789 6.877 1.00 0.00 H new ATOM 237 N GLU A 16 -2.975 -0.986 8.976 1.00 0.00 N ATOM 238 CA GLU A 16 -3.623 -2.101 9.646 1.00 0.00 C ATOM 239 C GLU A 16 -4.512 -2.867 8.664 1.00 0.00 C ATOM 240 O GLU A 16 -5.737 -2.786 8.737 1.00 0.00 O ATOM 241 CB GLU A 16 -4.428 -1.620 10.855 1.00 0.00 C ATOM 242 CG GLU A 16 -5.459 -0.568 10.443 1.00 0.00 C ATOM 243 CD GLU A 16 -6.783 -0.778 11.181 1.00 0.00 C ATOM 244 OE1 GLU A 16 -6.741 -0.784 12.430 1.00 0.00 O ATOM 245 OE2 GLU A 16 -7.807 -0.928 10.480 1.00 0.00 O ATOM 0 H GLU A 16 -3.608 -0.367 8.469 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.851 -2.779 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.933 -2.467 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.754 -1.201 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.073 0.428 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.626 -0.620 9.367 1.00 0.00 H new ATOM 250 N VAL A 17 -3.860 -3.593 7.768 1.00 0.00 N ATOM 251 CA VAL A 17 -4.576 -4.373 6.772 1.00 0.00 C ATOM 252 C VAL A 17 -4.557 -5.848 7.176 1.00 0.00 C ATOM 253 O VAL A 17 -3.992 -6.205 8.210 1.00 0.00 O ATOM 254 CB VAL A 17 -3.980 -4.124 5.386 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.021 -2.637 5.029 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.553 -4.670 5.296 1.00 0.00 C ATOM 0 H VAL A 17 -2.844 -3.658 7.711 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.620 -4.064 6.722 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.591 -4.660 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.591 -2.489 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.054 -2.291 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.447 -2.071 5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.153 -4.480 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.927 -4.176 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.562 -5.744 5.485 1.00 0.00 H new ATOM 266 N GLU A 18 -5.180 -6.666 6.341 1.00 0.00 N ATOM 267 CA GLU A 18 -5.242 -8.095 6.598 1.00 0.00 C ATOM 268 C GLU A 18 -4.575 -8.868 5.458 1.00 0.00 C ATOM 269 O GLU A 18 -4.546 -8.401 4.320 1.00 0.00 O ATOM 270 CB GLU A 18 -6.687 -8.553 6.801 1.00 0.00 C ATOM 271 CG GLU A 18 -6.939 -8.942 8.259 1.00 0.00 C ATOM 272 CD GLU A 18 -8.410 -9.298 8.485 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.763 -10.461 8.192 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.147 -8.400 8.945 1.00 0.00 O ATOM 0 H GLU A 18 -5.647 -6.366 5.485 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.698 -8.304 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.370 -7.754 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.897 -9.403 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.310 -9.791 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.656 -8.117 8.913 1.00 0.00 H new ATOM 279 N PRO A 19 -4.043 -10.068 5.812 1.00 0.00 N ATOM 280 CA PRO A 19 -3.379 -10.911 4.832 1.00 0.00 C ATOM 281 C PRO A 19 -4.398 -11.594 3.916 1.00 0.00 C ATOM 282 O PRO A 19 -4.023 -12.271 2.960 1.00 0.00 O ATOM 283 CB PRO A 19 -2.562 -11.897 5.650 1.00 0.00 C ATOM 284 CG PRO A 19 -3.156 -11.871 7.048 1.00 0.00 C ATOM 285 CD PRO A 19 -4.059 -10.653 7.149 1.00 0.00 C ATOM 0 HA PRO A 19 -2.737 -10.345 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.615 -12.898 5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.510 -11.613 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.722 -12.783 7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.366 -11.823 7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.070 -10.933 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.691 -9.948 7.894 1.00 0.00 H new ATOM 290 N SER A 20 -5.666 -11.391 4.241 1.00 0.00 N ATOM 291 CA SER A 20 -6.741 -11.979 3.460 1.00 0.00 C ATOM 292 C SER A 20 -7.508 -10.882 2.716 1.00 0.00 C ATOM 293 O SER A 20 -8.532 -11.151 2.090 1.00 0.00 O ATOM 294 CB SER A 20 -7.694 -12.782 4.349 1.00 0.00 C ATOM 295 OG SER A 20 -7.009 -13.418 5.424 1.00 0.00 O ATOM 0 H SER A 20 -5.973 -10.828 5.034 1.00 0.00 H new ATOM 0 HA SER A 20 -6.301 -12.663 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.462 -12.120 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.204 -13.535 3.748 1.00 0.00 H new ATOM 0 HG SER A 20 -7.650 -13.919 5.970 1.00 0.00 H new ATOM 300 N ASP A 21 -6.981 -9.670 2.809 1.00 0.00 N ATOM 301 CA ASP A 21 -7.602 -8.532 2.153 1.00 0.00 C ATOM 302 C ASP A 21 -7.015 -8.375 0.749 1.00 0.00 C ATOM 303 O ASP A 21 -5.847 -8.688 0.522 1.00 0.00 O ATOM 304 CB ASP A 21 -7.336 -7.238 2.925 1.00 0.00 C ATOM 305 CG ASP A 21 -8.018 -7.147 4.291 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.686 -8.138 4.658 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.857 -6.090 4.937 1.00 0.00 O ATOM 0 H ASP A 21 -6.131 -9.451 3.329 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.676 -8.712 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.260 -7.131 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.663 -6.396 2.316 1.00 0.00 H new ATOM 311 N THR A 22 -7.851 -7.890 -0.157 1.00 0.00 N ATOM 312 CA THR A 22 -7.429 -7.688 -1.533 1.00 0.00 C ATOM 313 C THR A 22 -6.595 -6.410 -1.652 1.00 0.00 C ATOM 314 O THR A 22 -6.844 -5.434 -0.946 1.00 0.00 O ATOM 315 CB THR A 22 -8.678 -7.682 -2.415 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.172 -7.508 -3.735 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.552 -6.447 -2.186 1.00 0.00 C ATOM 0 H THR A 22 -8.819 -7.631 0.035 1.00 0.00 H new ATOM 0 HA THR A 22 -6.780 -8.496 -1.870 1.00 0.00 H new ATOM 0 HB THR A 22 -9.262 -8.581 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.774 -6.924 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.425 -6.493 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.876 -6.419 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.978 -5.548 -2.412 1.00 0.00 H new ATOM 325 N ILE A 23 -5.623 -6.457 -2.551 1.00 0.00 N ATOM 326 CA ILE A 23 -4.751 -5.317 -2.772 1.00 0.00 C ATOM 327 C ILE A 23 -5.575 -4.029 -2.695 1.00 0.00 C ATOM 328 O ILE A 23 -5.231 -3.112 -1.951 1.00 0.00 O ATOM 329 CB ILE A 23 -3.982 -5.476 -4.085 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.187 -6.783 -4.099 1.00 0.00 C ATOM 331 CG2 ILE A 23 -3.091 -4.261 -4.350 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.582 -7.072 -2.724 1.00 0.00 C ATOM 0 H ILE A 23 -5.420 -7.268 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.993 -5.260 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.704 -5.529 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.838 -7.606 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.393 -6.722 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.556 -4.400 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.708 -3.364 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.374 -4.151 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.022 -8.007 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.912 -6.259 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.380 -7.157 -1.986 1.00 0.00 H new ATOM 343 N GLU A 24 -6.646 -4.001 -3.473 1.00 0.00 N ATOM 344 CA GLU A 24 -7.521 -2.842 -3.502 1.00 0.00 C ATOM 345 C GLU A 24 -7.762 -2.324 -2.083 1.00 0.00 C ATOM 346 O GLU A 24 -7.330 -1.225 -1.737 1.00 0.00 O ATOM 347 CB GLU A 24 -8.843 -3.169 -4.198 1.00 0.00 C ATOM 348 CG GLU A 24 -8.988 -2.380 -5.501 1.00 0.00 C ATOM 349 CD GLU A 24 -9.847 -1.132 -5.293 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.061 -1.312 -5.054 1.00 0.00 O ATOM 351 OE2 GLU A 24 -9.272 -0.025 -5.379 1.00 0.00 O ATOM 0 H GLU A 24 -6.928 -4.763 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.031 -2.056 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.892 -4.237 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.675 -2.936 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.003 -2.091 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.439 -3.013 -6.265 1.00 0.00 H new ATOM 356 N ASN A 25 -8.452 -3.139 -1.298 1.00 0.00 N ATOM 357 CA ASN A 25 -8.756 -2.777 0.075 1.00 0.00 C ATOM 358 C ASN A 25 -7.529 -2.117 0.708 1.00 0.00 C ATOM 359 O ASN A 25 -7.594 -0.971 1.148 1.00 0.00 O ATOM 360 CB ASN A 25 -9.109 -4.013 0.906 1.00 0.00 C ATOM 361 CG ASN A 25 -10.260 -3.715 1.868 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.314 -2.450 2.274 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -11.048 -4.578 2.219 1.00 0.00 N flip ATOM 0 H ASN A 25 -8.809 -4.049 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.607 -2.095 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.386 -4.834 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.235 -4.339 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.950 -5.531 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.805 -4.346 2.862 1.00 0.00 H new ATOM 369 N VAL A 26 -6.439 -2.870 0.732 1.00 0.00 N ATOM 370 CA VAL A 26 -5.198 -2.372 1.303 1.00 0.00 C ATOM 371 C VAL A 26 -4.805 -1.070 0.603 1.00 0.00 C ATOM 372 O VAL A 26 -4.315 -0.141 1.242 1.00 0.00 O ATOM 373 CB VAL A 26 -4.113 -3.449 1.216 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.943 -3.123 2.146 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.689 -4.833 1.523 1.00 0.00 C ATOM 0 H VAL A 26 -6.389 -3.821 0.366 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.329 -2.145 2.361 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.735 -3.463 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.186 -3.903 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.508 -2.165 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.300 -3.068 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.898 -5.580 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.107 -4.838 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.473 -5.068 0.804 1.00 0.00 H new ATOM 385 N LYS A 27 -5.035 -1.044 -0.702 1.00 0.00 N ATOM 386 CA LYS A 27 -4.712 0.128 -1.495 1.00 0.00 C ATOM 387 C LYS A 27 -5.800 1.186 -1.302 1.00 0.00 C ATOM 388 O LYS A 27 -5.710 2.283 -1.852 1.00 0.00 O ATOM 389 CB LYS A 27 -4.486 -0.260 -2.958 1.00 0.00 C ATOM 390 CG LYS A 27 -4.963 0.847 -3.900 1.00 0.00 C ATOM 391 CD LYS A 27 -4.723 0.465 -5.362 1.00 0.00 C ATOM 392 CE LYS A 27 -3.230 0.272 -5.639 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.004 -0.024 -7.072 1.00 0.00 N ATOM 0 H LYS A 27 -5.441 -1.817 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.774 0.569 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.427 -0.454 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.019 -1.185 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.025 1.034 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.438 1.775 -3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.262 -0.453 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.120 1.242 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.682 1.171 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.843 -0.543 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.992 -0.202 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.552 -0.865 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.309 0.788 -7.646 1.00 0.00 H new ATOM 403 N ALA A 28 -6.805 0.820 -0.519 1.00 0.00 N ATOM 404 CA ALA A 28 -7.910 1.723 -0.246 1.00 0.00 C ATOM 405 C ALA A 28 -7.658 2.443 1.080 1.00 0.00 C ATOM 406 O ALA A 28 -7.858 3.652 1.183 1.00 0.00 O ATOM 407 CB ALA A 28 -9.223 0.938 -0.244 1.00 0.00 C ATOM 0 H ALA A 28 -6.877 -0.090 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.987 2.483 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.052 1.616 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.369 0.470 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.185 0.168 0.526 1.00 0.00 H new ATOM 413 N LYS A 29 -7.223 1.669 2.064 1.00 0.00 N ATOM 414 CA LYS A 29 -6.942 2.217 3.380 1.00 0.00 C ATOM 415 C LYS A 29 -6.007 3.419 3.237 1.00 0.00 C ATOM 416 O LYS A 29 -6.411 4.557 3.480 1.00 0.00 O ATOM 417 CB LYS A 29 -6.406 1.128 4.311 1.00 0.00 C ATOM 418 CG LYS A 29 -7.545 0.450 5.075 1.00 0.00 C ATOM 419 CD LYS A 29 -7.435 -1.073 4.984 1.00 0.00 C ATOM 420 CE LYS A 29 -7.633 -1.720 6.356 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.540 -2.885 6.255 1.00 0.00 N ATOM 0 H LYS A 29 -7.058 0.666 1.976 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.859 2.579 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.860 0.385 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.699 1.564 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.521 0.758 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.503 0.774 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.182 -1.454 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.458 -1.347 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.670 -2.035 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.046 -0.990 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.663 -3.312 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.464 -2.575 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.131 -3.588 5.607 1.00 0.00 H new ATOM 431 N ILE A 30 -4.776 3.129 2.845 1.00 0.00 N ATOM 432 CA ILE A 30 -3.780 4.173 2.668 1.00 0.00 C ATOM 433 C ILE A 30 -4.429 5.379 1.986 1.00 0.00 C ATOM 434 O ILE A 30 -4.521 6.454 2.577 1.00 0.00 O ATOM 435 CB ILE A 30 -2.560 3.627 1.923 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.959 2.501 0.967 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.471 3.189 2.903 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.072 2.501 -0.279 1.00 0.00 C ATOM 0 H ILE A 30 -4.445 2.185 2.645 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.408 4.515 3.634 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.143 4.430 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.877 1.541 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.003 2.619 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.615 2.805 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.159 4.042 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.861 2.407 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.376 1.691 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.175 3.454 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.032 2.358 0.015 1.00 0.00 H new ATOM 449 N GLN A 31 -4.861 5.160 0.753 1.00 0.00 N ATOM 450 CA GLN A 31 -5.498 6.216 -0.015 1.00 0.00 C ATOM 451 C GLN A 31 -6.464 7.007 0.870 1.00 0.00 C ATOM 452 O GLN A 31 -6.714 8.186 0.621 1.00 0.00 O ATOM 453 CB GLN A 31 -6.218 5.647 -1.239 1.00 0.00 C ATOM 454 CG GLN A 31 -5.219 5.066 -2.242 1.00 0.00 C ATOM 455 CD GLN A 31 -4.038 6.017 -2.452 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.015 6.825 -3.365 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.063 5.874 -1.560 1.00 0.00 N ATOM 0 H GLN A 31 -4.782 4.267 0.267 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.724 6.895 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.917 4.872 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.805 6.431 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.856 4.103 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.718 4.884 -3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.147 5.177 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.231 6.461 -1.615 1.00 0.00 H new ATOM 464 N ASP A 32 -6.979 6.328 1.884 1.00 0.00 N ATOM 465 CA ASP A 32 -7.912 6.953 2.806 1.00 0.00 C ATOM 466 C ASP A 32 -7.133 7.574 3.968 1.00 0.00 C ATOM 467 O ASP A 32 -7.343 8.738 4.307 1.00 0.00 O ATOM 468 CB ASP A 32 -8.886 5.925 3.385 1.00 0.00 C ATOM 469 CG ASP A 32 -10.336 6.077 2.925 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.630 7.126 2.313 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.118 5.140 3.194 1.00 0.00 O ATOM 0 H ASP A 32 -6.768 5.351 2.088 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.472 7.711 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.539 4.927 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.857 5.992 4.473 1.00 0.00 H new ATOM 475 N LYS A 33 -6.252 6.771 4.545 1.00 0.00 N ATOM 476 CA LYS A 33 -5.441 7.227 5.661 1.00 0.00 C ATOM 477 C LYS A 33 -4.932 8.640 5.371 1.00 0.00 C ATOM 478 O LYS A 33 -5.199 9.569 6.132 1.00 0.00 O ATOM 479 CB LYS A 33 -4.329 6.221 5.962 1.00 0.00 C ATOM 480 CG LYS A 33 -4.654 5.402 7.213 1.00 0.00 C ATOM 481 CD LYS A 33 -3.831 5.880 8.411 1.00 0.00 C ATOM 482 CE LYS A 33 -4.740 6.271 9.578 1.00 0.00 C ATOM 483 NZ LYS A 33 -4.944 7.737 9.607 1.00 0.00 N ATOM 0 H LYS A 33 -6.082 5.806 4.260 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.040 7.284 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.197 5.554 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.385 6.748 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.717 5.486 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.450 4.348 7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.148 5.091 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.219 6.734 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.701 5.766 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.298 5.941 10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.563 7.986 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.026 8.213 9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.386 8.044 8.717 1.00 0.00 H new ATOM 493 N GLU A 34 -4.206 8.758 4.269 1.00 0.00 N ATOM 494 CA GLU A 34 -3.655 10.042 3.870 1.00 0.00 C ATOM 495 C GLU A 34 -4.732 10.894 3.193 1.00 0.00 C ATOM 496 O GLU A 34 -4.869 12.079 3.491 1.00 0.00 O ATOM 497 CB GLU A 34 -2.445 9.859 2.951 1.00 0.00 C ATOM 498 CG GLU A 34 -2.610 8.620 2.069 1.00 0.00 C ATOM 499 CD GLU A 34 -2.016 7.381 2.746 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.985 7.378 3.996 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.606 6.468 1.997 1.00 0.00 O ATOM 0 H GLU A 34 -3.987 7.986 3.640 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.315 10.563 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.323 10.742 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.539 9.765 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.667 8.454 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.120 8.785 1.109 1.00 0.00 H new ATOM 506 N GLY A 35 -5.469 10.255 2.295 1.00 0.00 N ATOM 507 CA GLY A 35 -6.529 10.940 1.575 1.00 0.00 C ATOM 508 C GLY A 35 -6.106 11.246 0.137 1.00 0.00 C ATOM 509 O GLY A 35 -6.248 12.375 -0.329 1.00 0.00 O ATOM 0 H GLY A 35 -5.353 9.272 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.428 10.323 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.782 11.868 2.089 1.00 0.00 H new ATOM 513 N ILE A 36 -5.595 10.219 -0.526 1.00 0.00 N ATOM 514 CA ILE A 36 -5.150 10.363 -1.902 1.00 0.00 C ATOM 515 C ILE A 36 -5.642 9.169 -2.721 1.00 0.00 C ATOM 516 O ILE A 36 -5.650 8.039 -2.235 1.00 0.00 O ATOM 517 CB ILE A 36 -3.634 10.564 -1.956 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.094 10.279 -3.360 1.00 0.00 C ATOM 519 CG2 ILE A 36 -2.931 9.721 -0.890 1.00 0.00 C ATOM 520 CD1 ILE A 36 -1.598 9.962 -3.317 1.00 0.00 C ATOM 0 H ILE A 36 -5.479 9.284 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.583 11.257 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.419 11.609 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.635 9.440 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.268 11.142 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.855 9.882 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.287 10.013 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.150 8.666 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.239 9.763 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.058 10.812 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.430 9.084 -2.693 1.00 0.00 H new ATOM 531 N PRO A 37 -6.052 9.467 -3.983 1.00 0.00 N ATOM 532 CA PRO A 37 -6.545 8.431 -4.875 1.00 0.00 C ATOM 533 C PRO A 37 -5.394 7.577 -5.412 1.00 0.00 C ATOM 534 O PRO A 37 -4.326 8.098 -5.728 1.00 0.00 O ATOM 535 CB PRO A 37 -7.294 9.175 -5.967 1.00 0.00 C ATOM 536 CG PRO A 37 -6.801 10.612 -5.906 1.00 0.00 C ATOM 537 CD PRO A 37 -6.057 10.794 -4.593 1.00 0.00 C ATOM 0 HA PRO A 37 -7.203 7.722 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.097 8.736 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.371 9.124 -5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.145 10.827 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.639 11.306 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.043 11.157 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.555 11.522 -3.953 1.00 0.00 H new ATOM 542 N PRO A 38 -5.659 6.246 -5.502 1.00 0.00 N ATOM 543 CA PRO A 38 -4.658 5.316 -5.997 1.00 0.00 C ATOM 544 C PRO A 38 -4.512 5.425 -7.516 1.00 0.00 C ATOM 545 O PRO A 38 -3.631 4.800 -8.104 1.00 0.00 O ATOM 546 CB PRO A 38 -5.137 3.946 -5.542 1.00 0.00 C ATOM 547 CG PRO A 38 -6.613 4.106 -5.218 1.00 0.00 C ATOM 548 CD PRO A 38 -6.914 5.594 -5.137 1.00 0.00 C ATOM 0 HA PRO A 38 -3.661 5.524 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.987 3.201 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.580 3.608 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.226 3.634 -5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.852 3.616 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.718 5.873 -5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.232 5.880 -4.134 1.00 0.00 H new ATOM 553 N ASP A 39 -5.388 6.223 -8.108 1.00 0.00 N ATOM 554 CA ASP A 39 -5.367 6.422 -9.546 1.00 0.00 C ATOM 555 C ASP A 39 -4.164 7.290 -9.919 1.00 0.00 C ATOM 556 O ASP A 39 -3.908 7.529 -11.099 1.00 0.00 O ATOM 557 CB ASP A 39 -6.632 7.138 -10.023 1.00 0.00 C ATOM 558 CG ASP A 39 -7.677 6.235 -10.681 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.415 5.015 -10.743 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.714 6.786 -11.109 1.00 0.00 O ATOM 0 H ASP A 39 -6.117 6.740 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.307 5.442 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.091 7.639 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.346 7.914 -10.733 1.00 0.00 H new ATOM 564 N GLN A 40 -3.457 7.739 -8.892 1.00 0.00 N ATOM 565 CA GLN A 40 -2.287 8.576 -9.097 1.00 0.00 C ATOM 566 C GLN A 40 -1.013 7.800 -8.758 1.00 0.00 C ATOM 567 O GLN A 40 0.048 8.066 -9.318 1.00 0.00 O ATOM 568 CB GLN A 40 -2.381 9.862 -8.275 1.00 0.00 C ATOM 569 CG GLN A 40 -3.226 10.914 -8.995 1.00 0.00 C ATOM 570 CD GLN A 40 -4.571 10.331 -9.436 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.207 9.659 -8.480 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.002 10.480 -10.566 1.00 0.00 N flip ATOM 0 H GLN A 40 -3.672 7.539 -7.915 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.247 8.859 -10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.819 9.644 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.381 10.256 -8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.394 11.765 -8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.685 11.287 -9.865 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.462 11.008 -11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.902 10.077 -10.826 1.00 0.00 H new ATOM 579 N GLN A 41 -1.161 6.854 -7.840 1.00 0.00 N ATOM 580 CA GLN A 41 -0.036 6.038 -7.419 1.00 0.00 C ATOM 581 C GLN A 41 -0.491 4.601 -7.159 1.00 0.00 C ATOM 582 O GLN A 41 -1.655 4.362 -6.839 1.00 0.00 O ATOM 583 CB GLN A 41 0.640 6.631 -6.181 1.00 0.00 C ATOM 584 CG GLN A 41 -0.385 6.916 -5.081 1.00 0.00 C ATOM 585 CD GLN A 41 -0.096 6.079 -3.833 1.00 0.00 C ATOM 586 OE1 GLN A 41 -0.145 4.861 -3.847 1.00 0.00 O ATOM 587 NE2 GLN A 41 0.205 6.800 -2.757 1.00 0.00 N ATOM 0 H GLN A 41 -2.043 6.636 -7.377 1.00 0.00 H new ATOM 0 HA GLN A 41 0.700 6.026 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.396 5.940 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.156 7.553 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.365 7.975 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.388 6.696 -5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.228 7.818 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.413 6.335 -1.873 1.00 0.00 H new ATOM 594 N ARG A 42 0.451 3.680 -7.307 1.00 0.00 N ATOM 595 CA ARG A 42 0.161 2.272 -7.092 1.00 0.00 C ATOM 596 C ARG A 42 1.186 1.659 -6.136 1.00 0.00 C ATOM 597 O ARG A 42 2.250 2.233 -5.910 1.00 0.00 O ATOM 598 CB ARG A 42 0.178 1.499 -8.413 1.00 0.00 C ATOM 599 CG ARG A 42 -0.660 2.212 -9.476 1.00 0.00 C ATOM 600 CD ARG A 42 -0.049 2.031 -10.867 1.00 0.00 C ATOM 601 NE ARG A 42 -0.998 1.313 -11.748 1.00 0.00 N ATOM 602 CZ ARG A 42 -2.143 1.839 -12.203 1.00 0.00 C ATOM 603 NH1 ARG A 42 -2.489 3.088 -11.865 1.00 0.00 N ATOM 604 NH2 ARG A 42 -2.944 1.114 -12.998 1.00 0.00 N ATOM 0 H ARG A 42 1.415 3.881 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.835 2.201 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.205 1.394 -8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.209 0.492 -8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.676 1.819 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.727 3.274 -9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.194 3.003 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.885 1.473 -10.793 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.766 0.359 -12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.880 3.640 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.361 3.487 -12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.681 0.163 -13.256 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.816 1.514 -13.345 1.00 0.00 H new ATOM 615 N LEU A 43 0.830 0.501 -5.602 1.00 0.00 N ATOM 616 CA LEU A 43 1.706 -0.197 -4.676 1.00 0.00 C ATOM 617 C LEU A 43 2.497 -1.266 -5.434 1.00 0.00 C ATOM 618 O LEU A 43 2.029 -1.789 -6.444 1.00 0.00 O ATOM 619 CB LEU A 43 0.906 -0.748 -3.494 1.00 0.00 C ATOM 620 CG LEU A 43 0.504 0.270 -2.423 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.738 0.895 -1.770 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.436 1.329 -3.001 1.00 0.00 C ATOM 0 H LEU A 43 -0.053 0.028 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 43 2.433 0.493 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.001 -1.216 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.493 -1.534 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.043 -0.255 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.424 1.614 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.337 0.114 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.333 1.403 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.707 2.040 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.065 1.855 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.337 0.847 -3.381 1.00 0.00 H new ATOM 633 N ILE A 44 3.681 -1.557 -4.918 1.00 0.00 N ATOM 634 CA ILE A 44 4.541 -2.554 -5.535 1.00 0.00 C ATOM 635 C ILE A 44 5.044 -3.521 -4.460 1.00 0.00 C ATOM 636 O ILE A 44 5.120 -3.165 -3.285 1.00 0.00 O ATOM 637 CB ILE A 44 5.661 -1.879 -6.328 1.00 0.00 C ATOM 638 CG1 ILE A 44 5.095 -0.844 -7.302 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.533 -2.916 -7.037 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.724 -1.492 -8.637 1.00 0.00 C ATOM 0 H ILE A 44 4.066 -1.121 -4.080 1.00 0.00 H new ATOM 0 HA ILE A 44 3.981 -3.145 -6.260 1.00 0.00 H new ATOM 0 HB ILE A 44 6.302 -1.345 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.215 -0.372 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.830 -0.056 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.321 -2.409 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.980 -3.581 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.920 -3.498 -7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.324 -0.734 -9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.612 -1.942 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.971 -2.263 -8.471 1.00 0.00 H new ATOM 651 N PHE A 45 5.377 -4.725 -4.902 1.00 0.00 N ATOM 652 CA PHE A 45 5.871 -5.745 -3.994 1.00 0.00 C ATOM 653 C PHE A 45 6.586 -6.861 -4.759 1.00 0.00 C ATOM 654 O PHE A 45 5.989 -7.512 -5.616 1.00 0.00 O ATOM 655 CB PHE A 45 4.654 -6.333 -3.277 1.00 0.00 C ATOM 656 CG PHE A 45 5.003 -7.193 -2.060 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.545 -6.616 -0.954 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.774 -8.532 -2.085 1.00 0.00 C ATOM 659 CE1 PHE A 45 5.869 -7.413 0.176 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.098 -9.330 -0.956 1.00 0.00 C ATOM 661 CZ PHE A 45 5.639 -8.754 0.150 1.00 0.00 C ATOM 0 H PHE A 45 5.314 -5.017 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 45 6.583 -5.307 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.004 -5.518 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.085 -6.937 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.729 -5.552 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.345 -8.990 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.298 -6.955 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.915 -10.394 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.886 -9.361 1.008 1.00 0.00 H new ATOM 670 N ALA A 46 7.853 -7.048 -4.422 1.00 0.00 N ATOM 671 CA ALA A 46 8.655 -8.074 -5.066 1.00 0.00 C ATOM 672 C ALA A 46 9.055 -7.598 -6.466 1.00 0.00 C ATOM 673 O ALA A 46 9.663 -8.347 -7.229 1.00 0.00 O ATOM 674 CB ALA A 46 7.874 -9.388 -5.099 1.00 0.00 C ATOM 0 H ALA A 46 8.344 -6.506 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 46 9.571 -8.254 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.476 -10.157 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.639 -9.697 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.949 -9.247 -5.658 1.00 0.00 H new ATOM 680 N GLY A 47 8.697 -6.357 -6.758 1.00 0.00 N ATOM 681 CA GLY A 47 9.011 -5.773 -8.051 1.00 0.00 C ATOM 682 C GLY A 47 7.922 -6.095 -9.077 1.00 0.00 C ATOM 683 O GLY A 47 8.148 -5.988 -10.282 1.00 0.00 O ATOM 0 H GLY A 47 8.193 -5.739 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.113 -4.692 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.970 -6.153 -8.402 1.00 0.00 H new ATOM 687 N LYS A 48 6.765 -6.483 -8.561 1.00 0.00 N ATOM 688 CA LYS A 48 5.639 -6.821 -9.417 1.00 0.00 C ATOM 689 C LYS A 48 4.518 -5.803 -9.204 1.00 0.00 C ATOM 690 O LYS A 48 4.497 -5.099 -8.195 1.00 0.00 O ATOM 691 CB LYS A 48 5.207 -8.271 -9.185 1.00 0.00 C ATOM 692 CG LYS A 48 4.164 -8.360 -8.069 1.00 0.00 C ATOM 693 CD LYS A 48 4.327 -9.653 -7.269 1.00 0.00 C ATOM 694 CE LYS A 48 3.094 -9.920 -6.403 1.00 0.00 C ATOM 695 NZ LYS A 48 3.437 -9.812 -4.966 1.00 0.00 N ATOM 0 H LYS A 48 6.582 -6.571 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 48 5.927 -6.762 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.795 -8.683 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.076 -8.876 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.263 -7.502 -7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.163 -8.317 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.486 -10.489 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.212 -9.585 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.307 -9.207 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.701 -10.914 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.658 -9.348 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.590 -10.763 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.305 -9.249 -4.858 1.00 0.00 H new ATOM 705 N GLN A 49 3.613 -5.757 -10.170 1.00 0.00 N ATOM 706 CA GLN A 49 2.490 -4.837 -10.101 1.00 0.00 C ATOM 707 C GLN A 49 1.414 -5.381 -9.158 1.00 0.00 C ATOM 708 O GLN A 49 0.842 -6.440 -9.411 1.00 0.00 O ATOM 709 CB GLN A 49 1.915 -4.567 -11.492 1.00 0.00 C ATOM 710 CG GLN A 49 0.514 -3.961 -11.399 1.00 0.00 C ATOM 711 CD GLN A 49 -0.073 -3.719 -12.791 1.00 0.00 C ATOM 712 OE1 GLN A 49 0.468 -2.987 -13.603 1.00 0.00 O ATOM 713 NE2 GLN A 49 -1.208 -4.374 -13.020 1.00 0.00 N ATOM 0 H GLN A 49 3.634 -6.342 -11.005 1.00 0.00 H new ATOM 0 HA GLN A 49 2.848 -3.888 -9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.573 -3.889 -12.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.876 -5.497 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.138 -4.629 -10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.557 -3.020 -10.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.607 -4.971 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.679 -4.279 -13.920 1.00 0.00 H new ATOM 720 N LEU A 50 1.172 -4.632 -8.093 1.00 0.00 N ATOM 721 CA LEU A 50 0.175 -5.026 -7.112 1.00 0.00 C ATOM 722 C LEU A 50 -1.211 -4.606 -7.604 1.00 0.00 C ATOM 723 O LEU A 50 -1.483 -3.418 -7.766 1.00 0.00 O ATOM 724 CB LEU A 50 0.533 -4.472 -5.731 1.00 0.00 C ATOM 725 CG LEU A 50 0.842 -5.509 -4.651 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.999 -6.415 -5.076 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.106 -4.835 -3.303 1.00 0.00 C ATOM 0 H LEU A 50 1.649 -3.754 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 50 0.158 -6.110 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.399 -3.818 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.294 -3.852 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.035 -6.144 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.198 -7.143 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.734 -6.937 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.890 -5.811 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.323 -5.595 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.958 -4.161 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.225 -4.268 -3.001 1.00 0.00 H new ATOM 738 N GLU A 51 -2.053 -5.605 -7.826 1.00 0.00 N ATOM 739 CA GLU A 51 -3.405 -5.355 -8.295 1.00 0.00 C ATOM 740 C GLU A 51 -4.422 -6.016 -7.363 1.00 0.00 C ATOM 741 O GLU A 51 -4.058 -6.847 -6.532 1.00 0.00 O ATOM 742 CB GLU A 51 -3.585 -5.840 -9.735 1.00 0.00 C ATOM 743 CG GLU A 51 -4.640 -5.008 -10.466 1.00 0.00 C ATOM 744 CD GLU A 51 -4.358 -3.512 -10.319 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.570 -2.998 -11.143 1.00 0.00 O ATOM 746 OE2 GLU A 51 -4.937 -2.915 -9.385 1.00 0.00 O ATOM 0 H GLU A 51 -1.824 -6.590 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.578 -4.279 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.635 -5.776 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.880 -6.889 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.653 -5.277 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.628 -5.236 -10.067 1.00 0.00 H new ATOM 751 N ASP A 52 -5.675 -5.624 -7.533 1.00 0.00 N ATOM 752 CA ASP A 52 -6.748 -6.168 -6.718 1.00 0.00 C ATOM 753 C ASP A 52 -6.946 -7.645 -7.063 1.00 0.00 C ATOM 754 O ASP A 52 -7.721 -8.342 -6.409 1.00 0.00 O ATOM 755 CB ASP A 52 -8.066 -5.440 -6.983 1.00 0.00 C ATOM 756 CG ASP A 52 -9.326 -6.230 -6.622 1.00 0.00 C ATOM 757 OD1 ASP A 52 -9.669 -7.141 -7.407 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.918 -5.905 -5.570 1.00 0.00 O ATOM 0 H ASP A 52 -5.972 -4.935 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.472 -6.043 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.067 -4.506 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.111 -5.176 -8.039 1.00 0.00 H new ATOM 762 N GLY A 53 -6.232 -8.080 -8.092 1.00 0.00 N ATOM 763 CA GLY A 53 -6.320 -9.462 -8.533 1.00 0.00 C ATOM 764 C GLY A 53 -6.547 -10.402 -7.347 1.00 0.00 C ATOM 765 O GLY A 53 -7.621 -10.987 -7.211 1.00 0.00 O ATOM 0 H GLY A 53 -5.590 -7.500 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.136 -9.568 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.403 -9.741 -9.053 1.00 0.00 H new ATOM 769 N ARG A 54 -5.519 -10.519 -6.520 1.00 0.00 N ATOM 770 CA ARG A 54 -5.592 -11.378 -5.351 1.00 0.00 C ATOM 771 C ARG A 54 -5.429 -10.552 -4.073 1.00 0.00 C ATOM 772 O ARG A 54 -5.633 -9.340 -4.084 1.00 0.00 O ATOM 773 CB ARG A 54 -4.511 -12.460 -5.393 1.00 0.00 C ATOM 774 CG ARG A 54 -4.401 -13.071 -6.792 1.00 0.00 C ATOM 775 CD ARG A 54 -4.706 -14.570 -6.760 1.00 0.00 C ATOM 776 NE ARG A 54 -6.061 -14.822 -7.301 1.00 0.00 N ATOM 777 CZ ARG A 54 -6.361 -14.818 -8.607 1.00 0.00 C ATOM 778 NH1 ARG A 54 -5.403 -14.575 -9.514 1.00 0.00 N ATOM 779 NH2 ARG A 54 -7.617 -15.056 -9.008 1.00 0.00 N ATOM 0 H ARG A 54 -4.630 -10.033 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.570 -11.858 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.552 -12.032 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.744 -13.240 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.094 -12.569 -7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.398 -12.908 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.965 -15.113 -7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.639 -14.942 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.813 -15.010 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.447 -14.393 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.631 -14.572 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.346 -15.240 -8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.844 -15.053 -10.002 1.00 0.00 H new ATOM 790 N THR A 55 -5.062 -11.243 -3.004 1.00 0.00 N ATOM 791 CA THR A 55 -4.869 -10.587 -1.721 1.00 0.00 C ATOM 792 C THR A 55 -3.391 -10.618 -1.324 1.00 0.00 C ATOM 793 O THR A 55 -2.558 -11.147 -2.058 1.00 0.00 O ATOM 794 CB THR A 55 -5.786 -11.264 -0.701 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.441 -12.644 -0.786 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.258 -11.221 -1.118 1.00 0.00 C ATOM 0 H THR A 55 -4.893 -12.249 -2.999 1.00 0.00 H new ATOM 0 HA THR A 55 -5.138 -9.532 -1.771 1.00 0.00 H new ATOM 0 HB THR A 55 -5.669 -10.781 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.818 -13.026 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.866 -11.715 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.577 -10.184 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.381 -11.734 -2.072 1.00 0.00 H new ATOM 804 N LEU A 56 -3.111 -10.045 -0.163 1.00 0.00 N ATOM 805 CA LEU A 56 -1.749 -10.001 0.341 1.00 0.00 C ATOM 806 C LEU A 56 -1.207 -11.426 0.460 1.00 0.00 C ATOM 807 O LEU A 56 -0.079 -11.701 0.052 1.00 0.00 O ATOM 808 CB LEU A 56 -1.687 -9.208 1.648 1.00 0.00 C ATOM 809 CG LEU A 56 -2.441 -7.876 1.662 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.082 -7.056 2.902 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.201 -7.097 0.368 1.00 0.00 C ATOM 0 H LEU A 56 -3.804 -9.607 0.443 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.101 -9.471 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.081 -9.834 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.640 -9.013 1.882 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.509 -8.088 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.631 -6.115 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.347 -7.617 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.011 -6.851 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.748 -6.155 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.136 -6.894 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.548 -7.686 -0.481 1.00 0.00 H new ATOM 822 N SER A 57 -2.035 -12.295 1.020 1.00 0.00 N ATOM 823 CA SER A 57 -1.653 -13.686 1.198 1.00 0.00 C ATOM 824 C SER A 57 -1.246 -14.293 -0.146 1.00 0.00 C ATOM 825 O SER A 57 -0.166 -14.868 -0.270 1.00 0.00 O ATOM 826 CB SER A 57 -2.792 -14.494 1.821 1.00 0.00 C ATOM 827 OG SER A 57 -4.038 -14.251 1.173 1.00 0.00 O ATOM 0 H SER A 57 -2.969 -12.063 1.357 1.00 0.00 H new ATOM 0 HA SER A 57 -0.802 -13.723 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.555 -15.557 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.878 -14.243 2.878 1.00 0.00 H new ATOM 0 HG SER A 57 -4.477 -13.479 1.587 1.00 0.00 H new ATOM 832 N ASP A 58 -2.131 -14.143 -1.120 1.00 0.00 N ATOM 833 CA ASP A 58 -1.878 -14.669 -2.450 1.00 0.00 C ATOM 834 C ASP A 58 -0.595 -14.044 -3.005 1.00 0.00 C ATOM 835 O ASP A 58 0.077 -14.640 -3.845 1.00 0.00 O ATOM 836 CB ASP A 58 -3.022 -14.326 -3.406 1.00 0.00 C ATOM 837 CG ASP A 58 -4.363 -14.983 -3.072 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.411 -16.231 -3.120 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.309 -14.222 -2.775 1.00 0.00 O ATOM 0 H ASP A 58 -3.025 -13.664 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.786 -15.752 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.157 -13.244 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.732 -14.619 -4.415 1.00 0.00 H new ATOM 843 N TYR A 59 -0.295 -12.852 -2.512 1.00 0.00 N ATOM 844 CA TYR A 59 0.894 -12.140 -2.947 1.00 0.00 C ATOM 845 C TYR A 59 2.066 -12.400 -2.000 1.00 0.00 C ATOM 846 O TYR A 59 3.155 -11.859 -2.190 1.00 0.00 O ATOM 847 CB TYR A 59 0.536 -10.653 -2.902 1.00 0.00 C ATOM 848 CG TYR A 59 -0.257 -10.167 -4.116 1.00 0.00 C ATOM 849 CD1 TYR A 59 -1.041 -11.051 -4.828 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.189 -8.843 -4.500 1.00 0.00 C ATOM 851 CE1 TYR A 59 -1.789 -10.594 -5.971 1.00 0.00 C ATOM 852 CE2 TYR A 59 -0.935 -8.385 -5.643 1.00 0.00 C ATOM 853 CZ TYR A 59 -1.699 -9.283 -6.321 1.00 0.00 C ATOM 854 OH TYR A 59 -2.404 -8.850 -7.401 1.00 0.00 O ATOM 0 H TYR A 59 -0.855 -12.361 -1.815 1.00 0.00 H new ATOM 0 HA TYR A 59 1.194 -12.467 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.044 -10.457 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.454 -10.071 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.094 -12.087 -4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.424 -8.150 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.407 -11.276 -6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.889 -7.352 -5.955 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.964 -8.088 -7.142 1.00 0.00 H new ATOM 863 N ASN A 60 1.804 -13.228 -0.998 1.00 0.00 N ATOM 864 CA ASN A 60 2.824 -13.566 -0.021 1.00 0.00 C ATOM 865 C ASN A 60 3.121 -12.339 0.845 1.00 0.00 C ATOM 866 O ASN A 60 4.105 -12.319 1.582 1.00 0.00 O ATOM 867 CB ASN A 60 4.127 -13.987 -0.705 1.00 0.00 C ATOM 868 CG ASN A 60 4.449 -15.454 -0.411 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.307 -15.778 0.394 1.00 0.00 O ATOM 870 ND2 ASN A 60 3.717 -16.319 -1.106 1.00 0.00 N ATOM 0 H ASN A 60 0.900 -13.674 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 60 2.450 -14.393 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.042 -13.838 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.945 -13.355 -0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.857 -17.322 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.015 -15.980 -1.764 1.00 0.00 H new ATOM 876 N ILE A 61 2.253 -11.346 0.725 1.00 0.00 N ATOM 877 CA ILE A 61 2.409 -10.119 1.487 1.00 0.00 C ATOM 878 C ILE A 61 1.925 -10.348 2.920 1.00 0.00 C ATOM 879 O ILE A 61 0.770 -10.070 3.241 1.00 0.00 O ATOM 880 CB ILE A 61 1.709 -8.956 0.780 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.422 -8.599 -0.526 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.578 -7.748 1.710 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.490 -7.836 -1.468 1.00 0.00 C ATOM 0 H ILE A 61 1.439 -11.366 0.111 1.00 0.00 H new ATOM 0 HA ILE A 61 3.461 -9.839 1.546 1.00 0.00 H new ATOM 0 HB ILE A 61 0.699 -9.273 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.302 -7.993 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.773 -9.509 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.077 -6.936 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.994 -8.026 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.569 -7.421 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.021 -7.594 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.623 -8.454 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.161 -6.915 -0.987 1.00 0.00 H new ATOM 894 N GLN A 62 2.832 -10.853 3.743 1.00 0.00 N ATOM 895 CA GLN A 62 2.512 -11.123 5.135 1.00 0.00 C ATOM 896 C GLN A 62 2.610 -9.839 5.961 1.00 0.00 C ATOM 897 O GLN A 62 2.744 -8.748 5.406 1.00 0.00 O ATOM 898 CB GLN A 62 3.421 -12.213 5.705 1.00 0.00 C ATOM 899 CG GLN A 62 2.704 -13.564 5.739 1.00 0.00 C ATOM 900 CD GLN A 62 2.071 -13.814 7.109 1.00 0.00 C ATOM 901 OE1 GLN A 62 1.001 -13.320 7.426 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.789 -14.607 7.900 1.00 0.00 N ATOM 0 H GLN A 62 3.788 -11.082 3.473 1.00 0.00 H new ATOM 0 HA GLN A 62 1.486 -11.488 5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.324 -12.292 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.736 -11.939 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.934 -13.591 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.411 -14.361 5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.677 -14.987 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.452 -14.835 8.835 1.00 0.00 H new ATOM 909 N LYS A 63 2.540 -10.010 7.273 1.00 0.00 N ATOM 910 CA LYS A 63 2.620 -8.878 8.181 1.00 0.00 C ATOM 911 C LYS A 63 3.984 -8.202 8.029 1.00 0.00 C ATOM 912 O LYS A 63 4.896 -8.767 7.426 1.00 0.00 O ATOM 913 CB LYS A 63 2.308 -9.317 9.613 1.00 0.00 C ATOM 914 CG LYS A 63 1.445 -8.277 10.330 1.00 0.00 C ATOM 915 CD LYS A 63 1.145 -8.709 11.766 1.00 0.00 C ATOM 916 CE LYS A 63 1.539 -7.614 12.761 1.00 0.00 C ATOM 917 NZ LYS A 63 2.640 -8.079 13.633 1.00 0.00 N ATOM 0 H LYS A 63 2.429 -10.916 7.729 1.00 0.00 H new ATOM 0 HA LYS A 63 1.865 -8.133 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.791 -10.276 9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.238 -9.465 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.958 -7.315 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.511 -8.137 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.083 -8.933 11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.688 -9.626 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.848 -6.718 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.677 -7.339 13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.895 -7.325 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.333 -8.921 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.467 -8.319 13.050 1.00 0.00 H new ATOM 927 N GLU A 64 4.080 -7.003 8.583 1.00 0.00 N ATOM 928 CA GLU A 64 5.317 -6.245 8.517 1.00 0.00 C ATOM 929 C GLU A 64 5.919 -6.332 7.113 1.00 0.00 C ATOM 930 O GLU A 64 7.074 -6.722 6.951 1.00 0.00 O ATOM 931 CB GLU A 64 6.315 -6.729 9.571 1.00 0.00 C ATOM 932 CG GLU A 64 5.624 -6.957 10.916 1.00 0.00 C ATOM 933 CD GLU A 64 5.837 -8.391 11.407 1.00 0.00 C ATOM 934 OE1 GLU A 64 5.376 -9.308 10.695 1.00 0.00 O ATOM 935 OE2 GLU A 64 6.457 -8.537 12.483 1.00 0.00 O ATOM 0 H GLU A 64 3.321 -6.537 9.080 1.00 0.00 H new ATOM 0 HA GLU A 64 5.091 -5.200 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.782 -7.655 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.112 -5.994 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.014 -6.255 11.653 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.557 -6.757 10.819 1.00 0.00 H new ATOM 940 N SER A 65 5.107 -5.962 6.133 1.00 0.00 N ATOM 941 CA SER A 65 5.544 -5.993 4.748 1.00 0.00 C ATOM 942 C SER A 65 6.111 -4.629 4.346 1.00 0.00 C ATOM 943 O SER A 65 6.165 -3.712 5.163 1.00 0.00 O ATOM 944 CB SER A 65 4.395 -6.384 3.816 1.00 0.00 C ATOM 945 OG SER A 65 3.580 -5.266 3.473 1.00 0.00 O ATOM 0 H SER A 65 4.149 -5.639 6.271 1.00 0.00 H new ATOM 0 HA SER A 65 6.326 -6.747 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.801 -6.829 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.781 -7.146 4.297 1.00 0.00 H new ATOM 0 HG SER A 65 2.708 -5.582 3.157 1.00 0.00 H new ATOM 950 N THR A 66 6.518 -4.541 3.089 1.00 0.00 N ATOM 951 CA THR A 66 7.078 -3.304 2.570 1.00 0.00 C ATOM 952 C THR A 66 6.807 -3.185 1.069 1.00 0.00 C ATOM 953 O THR A 66 7.402 -3.903 0.268 1.00 0.00 O ATOM 954 CB THR A 66 8.567 -3.276 2.922 1.00 0.00 C ATOM 955 OG1 THR A 66 8.593 -3.473 4.334 1.00 0.00 O ATOM 956 CG2 THR A 66 9.188 -1.890 2.729 1.00 0.00 C ATOM 0 H THR A 66 6.472 -5.305 2.415 1.00 0.00 H new ATOM 0 HA THR A 66 6.605 -2.434 3.024 1.00 0.00 H new ATOM 0 HB THR A 66 9.099 -4.002 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.521 -3.470 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.245 -1.925 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.084 -1.586 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.678 -1.170 3.370 1.00 0.00 H new ATOM 964 N LEU A 67 5.908 -2.271 0.734 1.00 0.00 N ATOM 965 CA LEU A 67 5.550 -2.047 -0.657 1.00 0.00 C ATOM 966 C LEU A 67 6.393 -0.901 -1.218 1.00 0.00 C ATOM 967 O LEU A 67 6.859 -0.044 -0.469 1.00 0.00 O ATOM 968 CB LEU A 67 4.043 -1.827 -0.793 1.00 0.00 C ATOM 969 CG LEU A 67 3.150 -2.965 -0.296 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.784 -4.326 -0.589 1.00 0.00 C ATOM 971 CD2 LEU A 67 2.818 -2.794 1.187 1.00 0.00 C ATOM 0 H LEU A 67 5.417 -1.677 1.402 1.00 0.00 H new ATOM 0 HA LEU A 67 5.775 -2.930 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.778 -0.920 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.816 -1.646 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 67 2.208 -2.924 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.129 -5.118 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.926 -4.437 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.749 -4.394 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.182 -3.616 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.740 -2.794 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.295 -1.849 1.336 1.00 0.00 H new ATOM 982 N HIS A 68 6.564 -0.923 -2.532 1.00 0.00 N ATOM 983 CA HIS A 68 7.343 0.105 -3.202 1.00 0.00 C ATOM 984 C HIS A 68 6.409 1.026 -3.988 1.00 0.00 C ATOM 985 O HIS A 68 5.656 0.567 -4.847 1.00 0.00 O ATOM 986 CB HIS A 68 8.431 -0.522 -4.076 1.00 0.00 C ATOM 987 CG HIS A 68 9.604 -1.071 -3.298 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.818 -0.413 -3.209 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.733 -2.219 -2.574 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.635 -1.144 -2.464 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.961 -2.262 -2.071 1.00 0.00 N ATOM 0 H HIS A 68 6.177 -1.636 -3.150 1.00 0.00 H new ATOM 0 HA HIS A 68 7.860 0.716 -2.462 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.991 -1.326 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.794 0.227 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.966 -2.967 -2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.656 -0.897 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.338 -3.008 -1.487 1.00 0.00 H new ATOM 998 N LEU A 69 6.487 2.310 -3.668 1.00 0.00 N ATOM 999 CA LEU A 69 5.657 3.299 -4.333 1.00 0.00 C ATOM 1000 C LEU A 69 6.271 3.642 -5.692 1.00 0.00 C ATOM 1001 O LEU A 69 7.493 3.690 -5.831 1.00 0.00 O ATOM 1002 CB LEU A 69 5.445 4.516 -3.430 1.00 0.00 C ATOM 1003 CG LEU A 69 3.995 4.830 -3.059 1.00 0.00 C ATOM 1004 CD1 LEU A 69 3.911 6.096 -2.203 1.00 0.00 C ATOM 1005 CD2 LEU A 69 3.117 4.922 -4.307 1.00 0.00 C ATOM 0 H LEU A 69 7.113 2.688 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 69 4.663 2.895 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.010 4.364 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.870 5.389 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 69 3.610 4.007 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.869 6.297 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.484 5.954 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.320 6.939 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.091 5.146 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.490 5.714 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.143 3.972 -4.841 1.00 0.00 H new