USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 554 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 37 GLN : amide:sc=-0.00161 X(o=0.64,f=0.28) USER MOD Set 1.2: A 70 SER OG : rot 83:sc= 0.64 USER MOD Set 2.1: A 68 GLN : amide:sc= 0.85 K(o=1.2,f=-0.42) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.323 K(o=1.2,f=-0.7) USER MOD Single : A 21 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.097) USER MOD Single : A 31 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.221) USER MOD Single : A 38 ASN : amide:sc= -0.371 K(o=-0.37,f=-0.97) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 160:sc= 0.224 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.797) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0536) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0171 (180deg=-0.193) USER MOD Single : A 59 THR OG1 : rot 91:sc= 1.37 USER MOD Single : A 65 MET CE :methyl 167:sc= -0.0682 (180deg=-0.407) USER MOD Single : A 72 THR OG1 : rot 149:sc= 0.835 USER MOD Single : B 101 SER OG : rot 39:sc= 0.0953 USER MOD Single : B 102 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 112 SER OG : rot -2:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -15.123 -4.570 2.887 1.00 0.00 N ATOM 2 CA GLU A 20 -15.527 -3.209 3.218 1.00 0.00 C ATOM 3 C GLU A 20 -15.192 -2.250 2.081 1.00 0.00 C ATOM 4 O GLU A 20 -16.042 -1.495 1.612 1.00 0.00 O ATOM 5 CB GLU A 20 -14.809 -2.783 4.494 1.00 0.00 C ATOM 6 CG GLU A 20 -14.851 -3.836 5.568 1.00 0.00 C ATOM 7 CD GLU A 20 -14.212 -3.390 6.863 1.00 0.00 C ATOM 8 OE1 GLU A 20 -14.690 -2.400 7.456 1.00 0.00 O ATOM 9 OE2 GLU A 20 -13.230 -4.029 7.299 1.00 0.00 O ATOM 0 HA GLU A 20 -16.606 -3.181 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.770 -2.551 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.263 -1.867 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.888 -4.111 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.344 -4.732 5.210 1.00 0.00 H new ATOM 16 N ASN A 21 -13.946 -2.296 1.654 1.00 0.00 N ATOM 17 CA ASN A 21 -13.475 -1.518 0.518 1.00 0.00 C ATOM 18 C ASN A 21 -12.142 -2.097 0.087 1.00 0.00 C ATOM 19 O ASN A 21 -11.162 -1.385 -0.099 1.00 0.00 O ATOM 20 CB ASN A 21 -13.331 -0.030 0.886 1.00 0.00 C ATOM 21 CG ASN A 21 -13.179 0.878 -0.329 1.00 0.00 C ATOM 22 OD1 ASN A 21 -14.165 1.353 -0.894 1.00 0.00 O ATOM 23 ND2 ASN A 21 -11.944 1.129 -0.739 1.00 0.00 N ATOM 0 H ASN A 21 -13.226 -2.876 2.085 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.195 -1.573 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.205 0.282 1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.464 0.095 1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.787 1.733 -1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.150 0.719 -0.247 1.00 0.00 H new ATOM 30 N VAL A 22 -12.108 -3.415 -0.032 1.00 0.00 N ATOM 31 CA VAL A 22 -10.872 -4.123 -0.323 1.00 0.00 C ATOM 32 C VAL A 22 -11.006 -4.880 -1.640 1.00 0.00 C ATOM 33 O VAL A 22 -10.921 -6.108 -1.688 1.00 0.00 O ATOM 34 CB VAL A 22 -10.505 -5.107 0.812 1.00 0.00 C ATOM 35 CG1 VAL A 22 -9.083 -5.624 0.647 1.00 0.00 C ATOM 36 CG2 VAL A 22 -10.679 -4.454 2.178 1.00 0.00 C ATOM 0 H VAL A 22 -12.925 -4.017 0.069 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.073 -3.386 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.187 -5.955 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.850 -6.314 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.993 -6.142 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.386 -4.786 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.414 -5.167 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.030 -3.581 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.717 -4.146 2.305 1.00 0.00 H new ATOM 46 N LEU A 23 -11.268 -4.138 -2.702 1.00 0.00 N ATOM 47 CA LEU A 23 -11.352 -4.712 -4.032 1.00 0.00 C ATOM 48 C LEU A 23 -10.033 -4.468 -4.761 1.00 0.00 C ATOM 49 O LEU A 23 -9.733 -3.335 -5.144 1.00 0.00 O ATOM 50 CB LEU A 23 -12.532 -4.095 -4.805 1.00 0.00 C ATOM 51 CG LEU A 23 -13.116 -4.951 -5.944 1.00 0.00 C ATOM 52 CD1 LEU A 23 -12.130 -5.094 -7.096 1.00 0.00 C ATOM 53 CD2 LEU A 23 -13.525 -6.320 -5.418 1.00 0.00 C ATOM 0 H LEU A 23 -11.427 -3.131 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.527 -5.786 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.330 -3.877 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.208 -3.142 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.000 -4.441 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.575 -5.704 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.890 -4.108 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.219 -5.572 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.936 -6.915 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.653 -6.826 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.279 -6.200 -4.640 1.00 0.00 H new ATOM 65 N PRO A 24 -9.216 -5.519 -4.935 1.00 0.00 N ATOM 66 CA PRO A 24 -7.927 -5.418 -5.628 1.00 0.00 C ATOM 67 C PRO A 24 -8.094 -5.005 -7.089 1.00 0.00 C ATOM 68 O PRO A 24 -8.285 -5.839 -7.973 1.00 0.00 O ATOM 69 CB PRO A 24 -7.344 -6.831 -5.523 1.00 0.00 C ATOM 70 CG PRO A 24 -8.515 -7.715 -5.261 1.00 0.00 C ATOM 71 CD PRO A 24 -9.484 -6.889 -4.466 1.00 0.00 C ATOM 0 HA PRO A 24 -7.284 -4.655 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.833 -7.116 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.612 -6.897 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.965 -8.054 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.216 -8.606 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.516 -7.185 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.314 -6.989 -3.394 1.00 0.00 H new ATOM 79 N ARG A 25 -8.033 -3.703 -7.326 1.00 0.00 N ATOM 80 CA ARG A 25 -8.231 -3.147 -8.656 1.00 0.00 C ATOM 81 C ARG A 25 -6.907 -3.046 -9.407 1.00 0.00 C ATOM 82 O ARG A 25 -5.859 -2.812 -8.801 1.00 0.00 O ATOM 83 CB ARG A 25 -8.888 -1.767 -8.545 1.00 0.00 C ATOM 84 CG ARG A 25 -10.244 -1.794 -7.856 1.00 0.00 C ATOM 85 CD ARG A 25 -10.724 -0.397 -7.489 1.00 0.00 C ATOM 86 NE ARG A 25 -12.053 -0.420 -6.880 1.00 0.00 N ATOM 87 CZ ARG A 25 -12.451 0.400 -5.907 1.00 0.00 C ATOM 88 NH1 ARG A 25 -11.618 1.301 -5.398 1.00 0.00 N ATOM 89 NH2 ARG A 25 -13.683 0.309 -5.425 1.00 0.00 N ATOM 0 H ARG A 25 -7.846 -3.005 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.886 -3.812 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.223 -1.100 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.005 -1.348 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.975 -2.268 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.181 -2.404 -6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.016 0.060 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.745 0.226 -8.383 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.721 -1.110 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.664 1.370 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.933 1.924 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.327 -0.389 -5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.987 0.937 -4.681 1.00 0.00 H new ATOM 103 N GLU A 26 -6.960 -3.210 -10.723 1.00 0.00 N ATOM 104 CA GLU A 26 -5.764 -3.153 -11.561 1.00 0.00 C ATOM 105 C GLU A 26 -5.096 -1.769 -11.481 1.00 0.00 C ATOM 106 O GLU A 26 -3.906 -1.679 -11.168 1.00 0.00 O ATOM 107 CB GLU A 26 -6.123 -3.502 -13.013 1.00 0.00 C ATOM 108 CG GLU A 26 -4.938 -3.510 -13.971 1.00 0.00 C ATOM 109 CD GLU A 26 -3.942 -4.617 -13.685 1.00 0.00 C ATOM 110 OE1 GLU A 26 -2.816 -4.312 -13.237 1.00 0.00 O ATOM 111 OE2 GLU A 26 -4.293 -5.801 -13.867 1.00 0.00 O ATOM 0 H GLU A 26 -7.823 -3.385 -11.238 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.048 -3.887 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.596 -4.484 -13.031 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.861 -2.786 -13.374 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.306 -3.616 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.428 -2.548 -13.915 1.00 0.00 H new ATOM 118 N PRO A 27 -5.843 -0.661 -11.726 1.00 0.00 N ATOM 119 CA PRO A 27 -5.281 0.693 -11.632 1.00 0.00 C ATOM 120 C PRO A 27 -4.843 1.037 -10.213 1.00 0.00 C ATOM 121 O PRO A 27 -4.028 1.937 -10.002 1.00 0.00 O ATOM 122 CB PRO A 27 -6.433 1.606 -12.065 1.00 0.00 C ATOM 123 CG PRO A 27 -7.663 0.797 -11.886 1.00 0.00 C ATOM 124 CD PRO A 27 -7.265 -0.628 -12.131 1.00 0.00 C ATOM 0 HA PRO A 27 -4.388 0.799 -12.248 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.466 2.511 -11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.317 1.921 -13.102 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.068 0.921 -10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.440 1.110 -12.584 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.867 -1.320 -11.542 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.391 -0.906 -13.177 1.00 0.00 H new ATOM 132 N LEU A 28 -5.381 0.307 -9.245 1.00 0.00 N ATOM 133 CA LEU A 28 -5.049 0.523 -7.845 1.00 0.00 C ATOM 134 C LEU A 28 -3.598 0.131 -7.591 1.00 0.00 C ATOM 135 O LEU A 28 -2.842 0.877 -6.969 1.00 0.00 O ATOM 136 CB LEU A 28 -5.989 -0.288 -6.948 1.00 0.00 C ATOM 137 CG LEU A 28 -5.833 -0.058 -5.443 1.00 0.00 C ATOM 138 CD1 LEU A 28 -6.160 1.381 -5.081 1.00 0.00 C ATOM 139 CD2 LEU A 28 -6.721 -1.018 -4.667 1.00 0.00 C ATOM 0 H LEU A 28 -6.053 -0.444 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.173 1.580 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.017 -0.057 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.833 -1.347 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.794 -0.249 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.042 1.522 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.484 2.052 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.189 1.603 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.599 -0.843 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.762 -0.856 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.439 -2.045 -4.901 1.00 0.00 H new ATOM 151 N ILE A 29 -3.213 -1.032 -8.107 1.00 0.00 N ATOM 152 CA ILE A 29 -1.841 -1.512 -7.983 1.00 0.00 C ATOM 153 C ILE A 29 -0.888 -0.578 -8.723 1.00 0.00 C ATOM 154 O ILE A 29 0.185 -0.236 -8.221 1.00 0.00 O ATOM 155 CB ILE A 29 -1.691 -2.951 -8.533 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.634 -3.912 -7.797 1.00 0.00 C ATOM 157 CG2 ILE A 29 -0.247 -3.429 -8.412 1.00 0.00 C ATOM 158 CD1 ILE A 29 -2.388 -3.992 -6.305 1.00 0.00 C ATOM 0 H ILE A 29 -3.834 -1.661 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.590 -1.525 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.962 -2.940 -9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.663 -3.598 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.529 -4.908 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.165 -4.443 -8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.405 -2.766 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.052 -3.421 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.094 -4.691 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.370 -4.337 -6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.523 -3.006 -5.861 1.00 0.00 H new ATOM 170 N ALA A 30 -1.303 -0.146 -9.910 1.00 0.00 N ATOM 171 CA ALA A 30 -0.511 0.776 -10.717 1.00 0.00 C ATOM 172 C ALA A 30 -0.255 2.083 -9.970 1.00 0.00 C ATOM 173 O ALA A 30 0.864 2.604 -9.970 1.00 0.00 O ATOM 174 CB ALA A 30 -1.207 1.047 -12.045 1.00 0.00 C ATOM 0 H ALA A 30 -2.188 -0.421 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 30 0.454 0.310 -10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.605 1.736 -12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.328 0.111 -12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.186 1.488 -11.859 1.00 0.00 H new ATOM 180 N THR A 31 -1.291 2.597 -9.317 1.00 0.00 N ATOM 181 CA THR A 31 -1.173 3.827 -8.547 1.00 0.00 C ATOM 182 C THR A 31 -0.283 3.613 -7.325 1.00 0.00 C ATOM 183 O THR A 31 0.482 4.496 -6.940 1.00 0.00 O ATOM 184 CB THR A 31 -2.549 4.343 -8.087 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.433 4.456 -9.213 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.418 5.696 -7.403 1.00 0.00 C ATOM 0 H THR A 31 -2.222 2.180 -9.306 1.00 0.00 H new ATOM 0 HA THR A 31 -0.723 4.573 -9.202 1.00 0.00 H new ATOM 0 HB THR A 31 -2.960 3.629 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.723 3.563 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.403 6.041 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.769 5.602 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.988 6.416 -8.100 1.00 0.00 H new ATOM 194 N ALA A 32 -0.380 2.433 -6.723 1.00 0.00 N ATOM 195 CA ALA A 32 0.425 2.109 -5.556 1.00 0.00 C ATOM 196 C ALA A 32 1.908 2.145 -5.897 1.00 0.00 C ATOM 197 O ALA A 32 2.711 2.641 -5.120 1.00 0.00 O ATOM 198 CB ALA A 32 0.036 0.753 -4.989 1.00 0.00 C ATOM 0 H ALA A 32 -1.007 1.688 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 32 0.232 2.863 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.652 0.533 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.014 0.768 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.191 -0.016 -5.746 1.00 0.00 H new ATOM 204 N VAL A 33 2.263 1.635 -7.067 1.00 0.00 N ATOM 205 CA VAL A 33 3.649 1.665 -7.520 1.00 0.00 C ATOM 206 C VAL A 33 4.107 3.110 -7.736 1.00 0.00 C ATOM 207 O VAL A 33 5.209 3.488 -7.339 1.00 0.00 O ATOM 208 CB VAL A 33 3.834 0.856 -8.824 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.277 0.911 -9.300 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.394 -0.587 -8.627 1.00 0.00 C ATOM 0 H VAL A 33 1.614 1.196 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 33 4.261 1.205 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 33 3.206 1.308 -9.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.379 0.334 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.559 1.947 -9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.929 0.492 -8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.532 -1.140 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.992 -1.046 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.342 -0.611 -8.344 1.00 0.00 H new ATOM 220 N LYS A 34 3.240 3.912 -8.354 1.00 0.00 N ATOM 221 CA LYS A 34 3.494 5.342 -8.528 1.00 0.00 C ATOM 222 C LYS A 34 3.755 5.997 -7.178 1.00 0.00 C ATOM 223 O LYS A 34 4.681 6.796 -7.027 1.00 0.00 O ATOM 224 CB LYS A 34 2.296 6.007 -9.231 1.00 0.00 C ATOM 225 CG LYS A 34 2.303 7.537 -9.211 1.00 0.00 C ATOM 226 CD LYS A 34 1.612 8.097 -7.967 1.00 0.00 C ATOM 227 CE LYS A 34 1.632 9.617 -7.937 1.00 0.00 C ATOM 228 NZ LYS A 34 3.015 10.164 -7.961 1.00 0.00 N ATOM 0 H LYS A 34 2.353 3.594 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 34 4.379 5.473 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.271 5.672 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.377 5.657 -8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.332 7.895 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.803 7.914 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.580 7.748 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.104 7.711 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.076 10.002 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.121 9.967 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.991 11.179 -7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.597 9.667 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.425 10.029 -8.907 1.00 0.00 H new ATOM 242 N PHE A 35 2.917 5.658 -6.213 1.00 0.00 N ATOM 243 CA PHE A 35 3.043 6.162 -4.861 1.00 0.00 C ATOM 244 C PHE A 35 4.381 5.740 -4.260 1.00 0.00 C ATOM 245 O PHE A 35 5.187 6.576 -3.865 1.00 0.00 O ATOM 246 CB PHE A 35 1.892 5.627 -4.017 1.00 0.00 C ATOM 247 CG PHE A 35 1.868 6.184 -2.632 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.395 7.459 -2.399 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.320 5.433 -1.565 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.370 7.976 -1.130 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.301 5.944 -0.289 1.00 0.00 C ATOM 252 CZ PHE A 35 1.826 7.220 -0.066 1.00 0.00 C ATOM 0 H PHE A 35 2.129 5.024 -6.348 1.00 0.00 H new ATOM 0 HA PHE A 35 3.004 7.251 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.949 5.860 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.964 4.541 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.040 8.056 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.692 4.434 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.994 8.974 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.657 5.347 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.810 7.626 0.935 1.00 0.00 H new ATOM 262 N LEU A 36 4.607 4.432 -4.240 1.00 0.00 N ATOM 263 CA LEU A 36 5.792 3.823 -3.634 1.00 0.00 C ATOM 264 C LEU A 36 7.084 4.452 -4.132 1.00 0.00 C ATOM 265 O LEU A 36 8.005 4.715 -3.351 1.00 0.00 O ATOM 266 CB LEU A 36 5.809 2.319 -3.937 1.00 0.00 C ATOM 267 CG LEU A 36 5.037 1.414 -2.965 1.00 0.00 C ATOM 268 CD1 LEU A 36 3.848 2.130 -2.337 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.565 0.168 -3.696 1.00 0.00 C ATOM 0 H LEU A 36 3.966 3.752 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 36 5.734 3.995 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.404 2.168 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.847 1.988 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 36 5.715 1.138 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.332 1.452 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.199 3.001 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.161 2.450 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.017 -0.473 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.912 0.455 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.427 -0.373 -4.087 1.00 0.00 H new ATOM 281 N GLN A 37 7.149 4.711 -5.426 1.00 0.00 N ATOM 282 CA GLN A 37 8.370 5.210 -6.034 1.00 0.00 C ATOM 283 C GLN A 37 8.405 6.732 -6.073 1.00 0.00 C ATOM 284 O GLN A 37 8.852 7.337 -7.047 1.00 0.00 O ATOM 285 CB GLN A 37 8.550 4.599 -7.418 1.00 0.00 C ATOM 286 CG GLN A 37 8.822 3.107 -7.347 1.00 0.00 C ATOM 287 CD GLN A 37 8.897 2.442 -8.703 1.00 0.00 C ATOM 288 OE1 GLN A 37 9.277 3.061 -9.697 1.00 0.00 O ATOM 289 NE2 GLN A 37 8.550 1.166 -8.748 1.00 0.00 N ATOM 0 H GLN A 37 6.372 4.584 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 37 9.212 4.903 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.654 4.777 -8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.375 5.095 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.760 2.942 -6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.037 2.630 -6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.241 0.691 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.592 0.657 -9.631 1.00 0.00 H new ATOM 298 N ASN A 38 7.927 7.339 -4.994 1.00 0.00 N ATOM 299 CA ASN A 38 8.130 8.764 -4.741 1.00 0.00 C ATOM 300 C ASN A 38 9.449 8.938 -3.982 1.00 0.00 C ATOM 301 O ASN A 38 9.801 10.032 -3.541 1.00 0.00 O ATOM 302 CB ASN A 38 6.941 9.331 -3.939 1.00 0.00 C ATOM 303 CG ASN A 38 7.043 10.824 -3.650 1.00 0.00 C ATOM 304 OD1 ASN A 38 7.581 11.239 -2.620 1.00 0.00 O ATOM 305 ND2 ASN A 38 6.511 11.638 -4.550 1.00 0.00 N ATOM 0 H ASN A 38 7.389 6.861 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 38 8.184 9.315 -5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.020 9.140 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.864 8.793 -2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.537 12.647 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.075 11.256 -5.389 1.00 0.00 H new ATOM 312 N SER A 39 10.171 7.819 -3.842 1.00 0.00 N ATOM 313 CA SER A 39 11.454 7.763 -3.139 1.00 0.00 C ATOM 314 C SER A 39 11.245 7.791 -1.626 1.00 0.00 C ATOM 315 O SER A 39 11.586 6.834 -0.927 1.00 0.00 O ATOM 316 CB SER A 39 12.386 8.901 -3.583 1.00 0.00 C ATOM 317 OG SER A 39 13.634 8.846 -2.911 1.00 0.00 O ATOM 0 H SER A 39 9.875 6.918 -4.219 1.00 0.00 H new ATOM 0 HA SER A 39 11.935 6.820 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.549 8.840 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.908 9.861 -3.387 1.00 0.00 H new ATOM 0 HG SER A 39 14.203 9.582 -3.218 1.00 0.00 H new ATOM 323 N ARG A 40 10.641 8.866 -1.134 1.00 0.00 N ATOM 324 CA ARG A 40 10.435 9.047 0.296 1.00 0.00 C ATOM 325 C ARG A 40 9.414 8.064 0.856 1.00 0.00 C ATOM 326 O ARG A 40 9.342 7.870 2.061 1.00 0.00 O ATOM 327 CB ARG A 40 9.991 10.478 0.597 1.00 0.00 C ATOM 328 CG ARG A 40 11.087 11.507 0.398 1.00 0.00 C ATOM 329 CD ARG A 40 10.629 12.888 0.832 1.00 0.00 C ATOM 330 NE ARG A 40 11.722 13.858 0.815 1.00 0.00 N ATOM 331 CZ ARG A 40 11.769 14.936 1.596 1.00 0.00 C ATOM 332 NH1 ARG A 40 10.788 15.173 2.459 1.00 0.00 N ATOM 333 NH2 ARG A 40 12.799 15.769 1.524 1.00 0.00 N ATOM 0 H ARG A 40 10.284 9.629 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 40 11.390 8.852 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.146 10.730 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.637 10.531 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.969 11.217 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.380 11.531 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.831 13.229 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.210 12.832 1.837 1.00 0.00 H new ATOM 0 HE ARG A 40 12.494 13.700 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.999 14.530 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.823 15.998 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.559 15.585 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.831 16.593 2.124 1.00 0.00 H new ATOM 347 N VAL A 41 8.630 7.442 -0.013 1.00 0.00 N ATOM 348 CA VAL A 41 7.635 6.470 0.434 1.00 0.00 C ATOM 349 C VAL A 41 8.301 5.203 0.958 1.00 0.00 C ATOM 350 O VAL A 41 7.798 4.560 1.882 1.00 0.00 O ATOM 351 CB VAL A 41 6.634 6.108 -0.682 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.640 5.065 -0.193 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.901 7.353 -1.141 1.00 0.00 C ATOM 0 H VAL A 41 8.660 7.589 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 41 7.081 6.943 1.244 1.00 0.00 H new ATOM 0 HB VAL A 41 7.186 5.688 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.942 4.823 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.176 4.164 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.089 5.460 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.196 7.090 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.360 7.788 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.619 8.078 -1.524 1.00 0.00 H new ATOM 363 N ARG A 42 9.442 4.862 0.375 1.00 0.00 N ATOM 364 CA ARG A 42 10.203 3.703 0.816 1.00 0.00 C ATOM 365 C ARG A 42 10.907 4.008 2.132 1.00 0.00 C ATOM 366 O ARG A 42 11.092 3.126 2.972 1.00 0.00 O ATOM 367 CB ARG A 42 11.226 3.301 -0.240 1.00 0.00 C ATOM 368 CG ARG A 42 10.593 2.806 -1.522 1.00 0.00 C ATOM 369 CD ARG A 42 11.637 2.366 -2.526 1.00 0.00 C ATOM 370 NE ARG A 42 12.529 1.335 -1.986 1.00 0.00 N ATOM 371 CZ ARG A 42 13.421 0.661 -2.718 1.00 0.00 C ATOM 372 NH1 ARG A 42 13.593 0.959 -4.000 1.00 0.00 N ATOM 373 NH2 ARG A 42 14.154 -0.295 -2.157 1.00 0.00 N ATOM 0 H ARG A 42 9.860 5.371 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 42 9.512 2.873 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.864 4.156 -0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.870 2.520 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.926 1.973 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.981 3.597 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.141 1.983 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 42 12.227 3.229 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 42 12.465 1.119 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.044 1.704 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.275 0.443 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.036 -0.514 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.835 -0.810 -2.716 1.00 0.00 H new ATOM 387 N GLN A 43 11.308 5.265 2.294 1.00 0.00 N ATOM 388 CA GLN A 43 11.941 5.716 3.529 1.00 0.00 C ATOM 389 C GLN A 43 10.887 5.907 4.616 1.00 0.00 C ATOM 390 O GLN A 43 11.152 5.714 5.806 1.00 0.00 O ATOM 391 CB GLN A 43 12.705 7.023 3.286 1.00 0.00 C ATOM 392 CG GLN A 43 13.437 7.546 4.511 1.00 0.00 C ATOM 393 CD GLN A 43 14.254 8.786 4.213 1.00 0.00 C ATOM 394 OE1 GLN A 43 15.431 8.699 3.861 1.00 0.00 O ATOM 395 NE2 GLN A 43 13.637 9.950 4.342 1.00 0.00 N ATOM 0 H GLN A 43 11.206 5.991 1.584 1.00 0.00 H new ATOM 0 HA GLN A 43 12.651 4.958 3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.426 6.867 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.004 7.783 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.713 7.771 5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.093 6.767 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.661 9.980 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.138 10.817 4.147 1.00 0.00 H new ATOM 404 N SER A 44 9.695 6.303 4.190 1.00 0.00 N ATOM 405 CA SER A 44 8.545 6.403 5.068 1.00 0.00 C ATOM 406 C SER A 44 8.261 5.039 5.691 1.00 0.00 C ATOM 407 O SER A 44 8.243 4.028 4.986 1.00 0.00 O ATOM 408 CB SER A 44 7.337 6.897 4.262 1.00 0.00 C ATOM 409 OG SER A 44 6.172 7.004 5.062 1.00 0.00 O ATOM 0 H SER A 44 9.502 6.564 3.223 1.00 0.00 H new ATOM 0 HA SER A 44 8.745 7.114 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.566 7.868 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.148 6.212 3.436 1.00 0.00 H new ATOM 0 HG SER A 44 5.530 7.604 4.627 1.00 0.00 H new ATOM 415 N PRO A 45 8.049 5.004 7.021 1.00 0.00 N ATOM 416 CA PRO A 45 7.876 3.763 7.781 1.00 0.00 C ATOM 417 C PRO A 45 6.958 2.763 7.089 1.00 0.00 C ATOM 418 O PRO A 45 5.806 3.068 6.762 1.00 0.00 O ATOM 419 CB PRO A 45 7.254 4.225 9.111 1.00 0.00 C ATOM 420 CG PRO A 45 7.003 5.693 8.964 1.00 0.00 C ATOM 421 CD PRO A 45 7.942 6.174 7.899 1.00 0.00 C ATOM 0 HA PRO A 45 8.825 3.239 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.327 3.690 9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.926 4.026 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.967 5.885 8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.181 6.214 9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.548 7.043 7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.909 6.463 8.310 1.00 0.00 H new ATOM 429 N LEU A 46 7.468 1.560 6.879 1.00 0.00 N ATOM 430 CA LEU A 46 6.707 0.520 6.219 1.00 0.00 C ATOM 431 C LEU A 46 5.575 0.048 7.113 1.00 0.00 C ATOM 432 O LEU A 46 4.617 -0.562 6.640 1.00 0.00 O ATOM 433 CB LEU A 46 7.595 -0.641 5.768 1.00 0.00 C ATOM 434 CG LEU A 46 8.552 -0.300 4.621 1.00 0.00 C ATOM 435 CD1 LEU A 46 9.843 0.310 5.147 1.00 0.00 C ATOM 436 CD2 LEU A 46 8.833 -1.533 3.783 1.00 0.00 C ATOM 0 H LEU A 46 8.409 1.282 7.158 1.00 0.00 H new ATOM 0 HA LEU A 46 6.272 0.944 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.179 -0.988 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.958 -1.470 5.459 1.00 0.00 H new ATOM 0 HG LEU A 46 8.072 0.444 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.503 0.542 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.616 1.225 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.336 -0.399 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.514 -1.274 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.288 -2.302 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.899 -1.910 3.366 1.00 0.00 H new ATOM 448 N ALA A 47 5.694 0.335 8.405 1.00 0.00 N ATOM 449 CA ALA A 47 4.579 0.169 9.328 1.00 0.00 C ATOM 450 C ALA A 47 3.350 0.892 8.778 1.00 0.00 C ATOM 451 O ALA A 47 2.235 0.366 8.807 1.00 0.00 O ATOM 452 CB ALA A 47 4.947 0.703 10.705 1.00 0.00 C ATOM 0 H ALA A 47 6.551 0.683 8.836 1.00 0.00 H new ATOM 0 HA ALA A 47 4.349 -0.892 9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.104 0.572 11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.809 0.157 11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.192 1.763 10.631 1.00 0.00 H new ATOM 458 N THR A 48 3.571 2.098 8.256 1.00 0.00 N ATOM 459 CA THR A 48 2.527 2.834 7.566 1.00 0.00 C ATOM 460 C THR A 48 2.165 2.138 6.263 1.00 0.00 C ATOM 461 O THR A 48 0.996 2.014 5.932 1.00 0.00 O ATOM 462 CB THR A 48 2.958 4.284 7.259 1.00 0.00 C ATOM 463 OG1 THR A 48 3.178 4.990 8.485 1.00 0.00 O ATOM 464 CG2 THR A 48 1.901 5.006 6.423 1.00 0.00 C ATOM 0 H THR A 48 4.468 2.582 8.301 1.00 0.00 H new ATOM 0 HA THR A 48 1.661 2.863 8.227 1.00 0.00 H new ATOM 0 HB THR A 48 3.883 4.255 6.683 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.453 5.910 8.288 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.230 6.025 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.759 4.477 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.959 5.031 6.970 1.00 0.00 H new ATOM 472 N ARG A 49 3.181 1.654 5.552 1.00 0.00 N ATOM 473 CA ARG A 49 2.982 1.024 4.248 1.00 0.00 C ATOM 474 C ARG A 49 1.939 -0.090 4.318 1.00 0.00 C ATOM 475 O ARG A 49 1.052 -0.153 3.478 1.00 0.00 O ATOM 476 CB ARG A 49 4.302 0.460 3.706 1.00 0.00 C ATOM 477 CG ARG A 49 5.379 1.505 3.429 1.00 0.00 C ATOM 478 CD ARG A 49 5.083 2.342 2.193 1.00 0.00 C ATOM 479 NE ARG A 49 3.881 3.158 2.345 1.00 0.00 N ATOM 480 CZ ARG A 49 3.879 4.387 2.858 1.00 0.00 C ATOM 481 NH1 ARG A 49 5.013 4.930 3.291 1.00 0.00 N ATOM 482 NH2 ARG A 49 2.744 5.069 2.936 1.00 0.00 N ATOM 0 H ARG A 49 4.154 1.686 5.858 1.00 0.00 H new ATOM 0 HA ARG A 49 2.618 1.796 3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.693 -0.263 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.097 -0.083 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.472 2.162 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.340 1.006 3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.934 2.990 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.965 1.684 1.332 1.00 0.00 H new ATOM 0 HE ARG A 49 2.991 2.763 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.886 4.405 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.010 5.871 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.875 4.652 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.741 6.010 3.329 1.00 0.00 H new ATOM 496 N ARG A 50 2.029 -0.951 5.325 1.00 0.00 N ATOM 497 CA ARG A 50 1.080 -2.057 5.453 1.00 0.00 C ATOM 498 C ARG A 50 -0.351 -1.553 5.645 1.00 0.00 C ATOM 499 O ARG A 50 -1.235 -1.879 4.855 1.00 0.00 O ATOM 500 CB ARG A 50 1.446 -3.002 6.602 1.00 0.00 C ATOM 501 CG ARG A 50 2.470 -4.069 6.239 1.00 0.00 C ATOM 502 CD ARG A 50 3.898 -3.577 6.404 1.00 0.00 C ATOM 503 NE ARG A 50 4.217 -3.294 7.800 1.00 0.00 N ATOM 504 CZ ARG A 50 5.454 -3.298 8.296 1.00 0.00 C ATOM 505 NH1 ARG A 50 6.485 -3.634 7.526 1.00 0.00 N ATOM 506 NH2 ARG A 50 5.651 -2.988 9.570 1.00 0.00 N ATOM 0 H ARG A 50 2.738 -0.909 6.057 1.00 0.00 H new ATOM 0 HA ARG A 50 1.137 -2.613 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.834 -2.411 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.539 -3.492 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.315 -4.946 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.313 -4.384 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.588 -4.328 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.043 -2.676 5.808 1.00 0.00 H new ATOM 0 HE ARG A 50 3.447 -3.080 8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.331 -3.890 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.430 -3.635 7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.858 -2.748 10.165 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.596 -2.989 9.955 1.00 0.00 H new ATOM 520 N ALA A 51 -0.571 -0.756 6.684 1.00 0.00 N ATOM 521 CA ALA A 51 -1.906 -0.245 6.992 1.00 0.00 C ATOM 522 C ALA A 51 -2.449 0.590 5.836 1.00 0.00 C ATOM 523 O ALA A 51 -3.612 0.471 5.458 1.00 0.00 O ATOM 524 CB ALA A 51 -1.871 0.577 8.270 1.00 0.00 C ATOM 0 H ALA A 51 0.157 -0.448 7.329 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.573 -1.094 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.871 0.952 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.529 -0.048 9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.188 1.417 8.144 1.00 0.00 H new ATOM 530 N PHE A 52 -1.583 1.417 5.281 1.00 0.00 N ATOM 531 CA PHE A 52 -1.910 2.269 4.147 1.00 0.00 C ATOM 532 C PHE A 52 -2.353 1.441 2.941 1.00 0.00 C ATOM 533 O PHE A 52 -3.401 1.706 2.353 1.00 0.00 O ATOM 534 CB PHE A 52 -0.690 3.119 3.799 1.00 0.00 C ATOM 535 CG PHE A 52 -0.863 3.949 2.578 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.245 3.580 1.403 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.631 5.093 2.608 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.392 4.340 0.269 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.786 5.859 1.478 1.00 0.00 C ATOM 540 CZ PHE A 52 -1.161 5.483 0.305 1.00 0.00 C ATOM 0 H PHE A 52 -0.622 1.519 5.606 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.744 2.917 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.462 3.772 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.170 2.464 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.360 2.686 1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.115 5.390 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.094 4.043 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.394 6.751 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.275 6.085 -0.584 1.00 0.00 H new ATOM 550 N LEU A 53 -1.555 0.438 2.589 1.00 0.00 N ATOM 551 CA LEU A 53 -1.864 -0.446 1.465 1.00 0.00 C ATOM 552 C LEU A 53 -3.191 -1.168 1.697 1.00 0.00 C ATOM 553 O LEU A 53 -4.057 -1.202 0.819 1.00 0.00 O ATOM 554 CB LEU A 53 -0.730 -1.468 1.274 1.00 0.00 C ATOM 555 CG LEU A 53 0.424 -1.059 0.338 1.00 0.00 C ATOM 556 CD1 LEU A 53 0.042 -1.290 -1.112 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.826 0.395 0.539 1.00 0.00 C ATOM 0 H LEU A 53 -0.683 0.214 3.068 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.955 0.158 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.309 -1.695 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.166 -2.391 0.893 1.00 0.00 H new ATOM 0 HG LEU A 53 1.281 -1.684 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.869 -0.995 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.180 -2.346 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.838 -0.695 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.642 0.644 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.028 1.040 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.152 0.543 1.569 1.00 0.00 H new ATOM 569 N LYS A 54 -3.355 -1.718 2.896 1.00 0.00 N ATOM 570 CA LYS A 54 -4.559 -2.467 3.244 1.00 0.00 C ATOM 571 C LYS A 54 -5.798 -1.568 3.247 1.00 0.00 C ATOM 572 O LYS A 54 -6.893 -2.003 2.887 1.00 0.00 O ATOM 573 CB LYS A 54 -4.390 -3.138 4.613 1.00 0.00 C ATOM 574 CG LYS A 54 -4.248 -4.652 4.544 1.00 0.00 C ATOM 575 CD LYS A 54 -3.007 -5.088 3.773 1.00 0.00 C ATOM 576 CE LYS A 54 -1.726 -4.856 4.564 1.00 0.00 C ATOM 577 NZ LYS A 54 -1.645 -5.735 5.762 1.00 0.00 N ATOM 0 H LYS A 54 -2.666 -1.659 3.646 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.704 -3.235 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.510 -2.722 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.250 -2.891 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.204 -5.056 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.134 -5.075 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.090 -6.145 3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.955 -4.540 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.865 -5.038 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.676 -3.813 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.661 -5.777 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.250 -5.351 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.967 -6.692 5.513 1.00 0.00 H new ATOM 591 N LYS A 55 -5.625 -0.322 3.663 1.00 0.00 N ATOM 592 CA LYS A 55 -6.728 0.632 3.711 1.00 0.00 C ATOM 593 C LYS A 55 -7.057 1.199 2.340 1.00 0.00 C ATOM 594 O LYS A 55 -8.175 1.661 2.108 1.00 0.00 O ATOM 595 CB LYS A 55 -6.421 1.759 4.694 1.00 0.00 C ATOM 596 CG LYS A 55 -6.742 1.378 6.129 1.00 0.00 C ATOM 597 CD LYS A 55 -8.247 1.272 6.330 1.00 0.00 C ATOM 598 CE LYS A 55 -8.613 0.717 7.696 1.00 0.00 C ATOM 599 NZ LYS A 55 -8.271 -0.726 7.832 1.00 0.00 N ATOM 0 H LYS A 55 -4.729 0.055 3.973 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.607 0.089 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.367 2.026 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.995 2.644 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.269 0.427 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.330 2.123 6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.697 2.257 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.670 0.632 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.093 1.285 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.681 0.852 7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.660 -1.092 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.677 -1.256 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.237 -0.839 7.832 1.00 0.00 H new ATOM 613 N LYS A 56 -6.092 1.168 1.434 1.00 0.00 N ATOM 614 CA LYS A 56 -6.287 1.727 0.105 1.00 0.00 C ATOM 615 C LYS A 56 -7.147 0.806 -0.756 1.00 0.00 C ATOM 616 O LYS A 56 -7.587 1.191 -1.839 1.00 0.00 O ATOM 617 CB LYS A 56 -4.946 1.998 -0.569 1.00 0.00 C ATOM 618 CG LYS A 56 -4.808 3.414 -1.122 1.00 0.00 C ATOM 619 CD LYS A 56 -4.774 4.473 -0.023 1.00 0.00 C ATOM 620 CE LYS A 56 -6.167 4.926 0.400 1.00 0.00 C ATOM 621 NZ LYS A 56 -6.859 5.700 -0.668 1.00 0.00 N ATOM 0 H LYS A 56 -5.169 0.763 1.593 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.814 2.675 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.146 1.819 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.808 1.286 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.896 3.481 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.641 3.620 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.247 4.074 0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.206 5.335 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.767 4.054 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.090 5.539 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.657 6.224 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.191 6.370 -1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.214 5.047 -1.396 1.00 0.00 H new ATOM 635 N GLY A 57 -7.379 -0.409 -0.276 1.00 0.00 N ATOM 636 CA GLY A 57 -8.340 -1.278 -0.928 1.00 0.00 C ATOM 637 C GLY A 57 -7.731 -2.512 -1.555 1.00 0.00 C ATOM 638 O GLY A 57 -8.288 -3.064 -2.500 1.00 0.00 O ATOM 0 H GLY A 57 -6.924 -0.806 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.089 -1.586 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.861 -0.711 -1.699 1.00 0.00 H new ATOM 642 N LEU A 58 -6.599 -2.956 -1.045 1.00 0.00 N ATOM 643 CA LEU A 58 -5.978 -4.165 -1.555 1.00 0.00 C ATOM 644 C LEU A 58 -5.497 -5.042 -0.406 1.00 0.00 C ATOM 645 O LEU A 58 -4.991 -4.544 0.602 1.00 0.00 O ATOM 646 CB LEU A 58 -4.841 -3.817 -2.528 1.00 0.00 C ATOM 647 CG LEU A 58 -3.847 -2.761 -2.051 1.00 0.00 C ATOM 648 CD1 LEU A 58 -2.691 -3.416 -1.328 1.00 0.00 C ATOM 649 CD2 LEU A 58 -3.348 -1.926 -3.221 1.00 0.00 C ATOM 0 H LEU A 58 -6.093 -2.503 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.720 -4.736 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.290 -4.730 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.283 -3.474 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.357 -2.096 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.990 -2.651 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.066 -3.966 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.182 -4.104 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.641 -1.179 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.854 -2.573 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.192 -1.426 -3.697 1.00 0.00 H new ATOM 661 N THR A 59 -5.697 -6.349 -0.552 1.00 0.00 N ATOM 662 CA THR A 59 -5.356 -7.304 0.490 1.00 0.00 C ATOM 663 C THR A 59 -3.851 -7.541 0.570 1.00 0.00 C ATOM 664 O THR A 59 -3.101 -7.065 -0.280 1.00 0.00 O ATOM 665 CB THR A 59 -6.084 -8.640 0.263 1.00 0.00 C ATOM 666 OG1 THR A 59 -6.593 -8.699 -1.077 1.00 0.00 O ATOM 667 CG2 THR A 59 -7.226 -8.809 1.254 1.00 0.00 C ATOM 0 H THR A 59 -6.097 -6.770 -1.390 1.00 0.00 H new ATOM 0 HA THR A 59 -5.681 -6.875 1.438 1.00 0.00 H new ATOM 0 HB THR A 59 -5.370 -9.449 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.922 -9.105 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.726 -9.761 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.832 -8.793 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.940 -7.995 1.129 1.00 0.00 H new ATOM 675 N ASP A 60 -3.425 -8.289 1.586 1.00 0.00 N ATOM 676 CA ASP A 60 -2.002 -8.482 1.880 1.00 0.00 C ATOM 677 C ASP A 60 -1.209 -8.946 0.663 1.00 0.00 C ATOM 678 O ASP A 60 -0.164 -8.385 0.353 1.00 0.00 O ATOM 679 CB ASP A 60 -1.827 -9.477 3.023 1.00 0.00 C ATOM 680 CG ASP A 60 -2.411 -8.960 4.317 1.00 0.00 C ATOM 681 OD1 ASP A 60 -3.578 -9.280 4.615 1.00 0.00 O ATOM 682 OD2 ASP A 60 -1.713 -8.213 5.031 1.00 0.00 O ATOM 0 H ASP A 60 -4.051 -8.777 2.227 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.606 -7.510 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.307 -10.420 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.766 -9.687 3.162 1.00 0.00 H new ATOM 687 N GLU A 61 -1.715 -9.945 -0.045 1.00 0.00 N ATOM 688 CA GLU A 61 -1.008 -10.471 -1.206 1.00 0.00 C ATOM 689 C GLU A 61 -0.836 -9.400 -2.287 1.00 0.00 C ATOM 690 O GLU A 61 0.134 -9.420 -3.046 1.00 0.00 O ATOM 691 CB GLU A 61 -1.720 -11.708 -1.757 1.00 0.00 C ATOM 692 CG GLU A 61 -3.208 -11.521 -1.991 1.00 0.00 C ATOM 693 CD GLU A 61 -3.865 -12.780 -2.515 1.00 0.00 C ATOM 694 OE1 GLU A 61 -4.615 -13.429 -1.752 1.00 0.00 O ATOM 695 OE2 GLU A 61 -3.622 -13.139 -3.686 1.00 0.00 O ATOM 0 H GLU A 61 -2.602 -10.404 0.160 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.010 -10.771 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.250 -11.995 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.575 -12.536 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.687 -11.224 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.364 -10.709 -2.701 1.00 0.00 H new ATOM 702 N GLU A 62 -1.759 -8.447 -2.336 1.00 0.00 N ATOM 703 CA GLU A 62 -1.660 -7.342 -3.277 1.00 0.00 C ATOM 704 C GLU A 62 -0.606 -6.344 -2.827 1.00 0.00 C ATOM 705 O GLU A 62 0.020 -5.680 -3.657 1.00 0.00 O ATOM 706 CB GLU A 62 -3.005 -6.632 -3.445 1.00 0.00 C ATOM 707 CG GLU A 62 -3.946 -7.300 -4.431 1.00 0.00 C ATOM 708 CD GLU A 62 -4.298 -8.720 -4.051 1.00 0.00 C ATOM 709 OE1 GLU A 62 -3.951 -9.644 -4.813 1.00 0.00 O ATOM 710 OE2 GLU A 62 -4.908 -8.915 -2.982 1.00 0.00 O ATOM 0 H GLU A 62 -2.583 -8.419 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.367 -7.760 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.496 -6.575 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.824 -5.608 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.861 -6.713 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.487 -7.299 -5.419 1.00 0.00 H new ATOM 717 N ILE A 63 -0.397 -6.232 -1.516 1.00 0.00 N ATOM 718 CA ILE A 63 0.596 -5.299 -1.010 1.00 0.00 C ATOM 719 C ILE A 63 1.992 -5.802 -1.362 1.00 0.00 C ATOM 720 O ILE A 63 2.834 -5.028 -1.813 1.00 0.00 O ATOM 721 CB ILE A 63 0.487 -5.026 0.520 1.00 0.00 C ATOM 722 CG1 ILE A 63 1.275 -6.042 1.356 1.00 0.00 C ATOM 723 CG2 ILE A 63 -0.967 -5.025 0.949 1.00 0.00 C ATOM 724 CD1 ILE A 63 1.258 -5.751 2.839 1.00 0.00 C ATOM 0 H ILE A 63 -0.893 -6.765 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 63 0.401 -4.342 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 63 0.927 -4.045 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.864 -7.037 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.308 -6.060 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.030 -4.833 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.505 -4.246 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.412 -5.995 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.835 -6.511 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.697 -4.770 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.230 -5.762 3.200 1.00 0.00 H new ATOM 736 N ASP A 64 2.223 -7.111 -1.204 1.00 0.00 N ATOM 737 CA ASP A 64 3.512 -7.688 -1.569 1.00 0.00 C ATOM 738 C ASP A 64 3.625 -7.758 -3.073 1.00 0.00 C ATOM 739 O ASP A 64 4.697 -7.987 -3.587 1.00 0.00 O ATOM 740 CB ASP A 64 3.740 -9.100 -1.023 1.00 0.00 C ATOM 741 CG ASP A 64 3.390 -9.271 0.439 1.00 0.00 C ATOM 742 OD1 ASP A 64 2.342 -9.880 0.738 1.00 0.00 O ATOM 743 OD2 ASP A 64 4.136 -8.746 1.291 1.00 0.00 O ATOM 0 H ASP A 64 1.545 -7.776 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 64 4.264 -7.035 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.149 -9.803 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.787 -9.367 -1.167 1.00 0.00 H new ATOM 748 N MET A 65 2.501 -7.628 -3.769 1.00 0.00 N ATOM 749 CA MET A 65 2.512 -7.543 -5.228 1.00 0.00 C ATOM 750 C MET A 65 3.040 -6.183 -5.679 1.00 0.00 C ATOM 751 O MET A 65 3.943 -6.100 -6.513 1.00 0.00 O ATOM 752 CB MET A 65 1.111 -7.791 -5.798 1.00 0.00 C ATOM 753 CG MET A 65 1.003 -7.593 -7.306 1.00 0.00 C ATOM 754 SD MET A 65 2.230 -8.541 -8.232 1.00 0.00 S ATOM 755 CE MET A 65 1.894 -10.200 -7.654 1.00 0.00 C ATOM 0 H MET A 65 1.572 -7.579 -3.350 1.00 0.00 H new ATOM 0 HA MET A 65 3.177 -8.317 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.807 -8.809 -5.554 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.407 -7.122 -5.304 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.005 -7.883 -7.634 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.120 -6.534 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.404 -10.919 -8.295 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.253 -10.308 -6.630 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.820 -10.385 -7.684 1.00 0.00 H new ATOM 765 N ALA A 66 2.482 -5.120 -5.112 1.00 0.00 N ATOM 766 CA ALA A 66 2.923 -3.767 -5.429 1.00 0.00 C ATOM 767 C ALA A 66 4.350 -3.558 -4.940 1.00 0.00 C ATOM 768 O ALA A 66 5.174 -2.933 -5.614 1.00 0.00 O ATOM 769 CB ALA A 66 1.985 -2.741 -4.807 1.00 0.00 C ATOM 0 H ALA A 66 1.724 -5.169 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 66 2.902 -3.633 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.329 -1.737 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.978 -2.885 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.976 -2.866 -3.724 1.00 0.00 H new ATOM 775 N PHE A 67 4.636 -4.103 -3.764 1.00 0.00 N ATOM 776 CA PHE A 67 5.973 -4.058 -3.199 1.00 0.00 C ATOM 777 C PHE A 67 6.913 -5.009 -3.943 1.00 0.00 C ATOM 778 O PHE A 67 8.120 -4.778 -3.997 1.00 0.00 O ATOM 779 CB PHE A 67 5.933 -4.348 -1.691 1.00 0.00 C ATOM 780 CG PHE A 67 5.430 -3.169 -0.890 1.00 0.00 C ATOM 781 CD1 PHE A 67 5.840 -1.888 -1.223 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.558 -3.330 0.184 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.402 -0.793 -0.513 1.00 0.00 C ATOM 784 CE2 PHE A 67 4.117 -2.231 0.899 1.00 0.00 C ATOM 785 CZ PHE A 67 4.541 -0.962 0.548 1.00 0.00 C ATOM 0 H PHE A 67 3.951 -4.585 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 67 6.371 -3.051 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.291 -5.209 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.933 -4.616 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.515 -1.746 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.224 -4.319 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.733 0.197 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.442 -2.364 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.197 -0.104 1.106 1.00 0.00 H new ATOM 795 N GLN A 68 6.355 -6.073 -4.517 1.00 0.00 N ATOM 796 CA GLN A 68 7.120 -6.989 -5.363 1.00 0.00 C ATOM 797 C GLN A 68 7.690 -6.237 -6.549 1.00 0.00 C ATOM 798 O GLN A 68 8.894 -6.248 -6.798 1.00 0.00 O ATOM 799 CB GLN A 68 6.243 -8.125 -5.898 1.00 0.00 C ATOM 800 CG GLN A 68 6.956 -9.041 -6.878 1.00 0.00 C ATOM 801 CD GLN A 68 6.011 -10.006 -7.561 1.00 0.00 C ATOM 802 OE1 GLN A 68 5.766 -11.106 -7.069 1.00 0.00 O ATOM 803 NE2 GLN A 68 5.468 -9.601 -8.701 1.00 0.00 N ATOM 0 H GLN A 68 5.372 -6.323 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 68 7.917 -7.411 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.881 -8.718 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 68 5.368 -7.697 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.462 -8.438 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.726 -9.604 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.697 -8.681 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.821 -10.210 -9.203 1.00 0.00 H new ATOM 812 N GLN A 69 6.795 -5.573 -7.269 1.00 0.00 N ATOM 813 CA GLN A 69 7.149 -4.855 -8.481 1.00 0.00 C ATOM 814 C GLN A 69 8.065 -3.678 -8.170 1.00 0.00 C ATOM 815 O GLN A 69 8.861 -3.257 -9.009 1.00 0.00 O ATOM 816 CB GLN A 69 5.887 -4.377 -9.186 1.00 0.00 C ATOM 817 CG GLN A 69 5.864 -4.746 -10.657 1.00 0.00 C ATOM 818 CD GLN A 69 6.131 -6.222 -10.894 1.00 0.00 C ATOM 819 OE1 GLN A 69 5.796 -7.075 -10.068 1.00 0.00 O ATOM 820 NE2 GLN A 69 6.750 -6.533 -12.020 1.00 0.00 N ATOM 0 H GLN A 69 5.805 -5.519 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 69 7.689 -5.534 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.015 -4.808 -8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.807 -3.295 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.893 -4.484 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.611 -4.156 -11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.011 -5.799 -12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.967 -7.507 -12.231 1.00 0.00 H new ATOM 829 N SER A 70 7.951 -3.154 -6.960 1.00 0.00 N ATOM 830 CA SER A 70 8.811 -2.064 -6.521 1.00 0.00 C ATOM 831 C SER A 70 10.143 -2.596 -5.990 1.00 0.00 C ATOM 832 O SER A 70 11.082 -1.835 -5.751 1.00 0.00 O ATOM 833 CB SER A 70 8.101 -1.232 -5.454 1.00 0.00 C ATOM 834 OG SER A 70 6.886 -0.701 -5.958 1.00 0.00 O ATOM 0 H SER A 70 7.273 -3.465 -6.264 1.00 0.00 H new ATOM 0 HA SER A 70 9.024 -1.427 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.898 -1.850 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.751 -0.420 -5.127 1.00 0.00 H new ATOM 0 HG SER A 70 6.180 -1.376 -5.887 1.00 0.00 H new ATOM 840 N GLY A 71 10.217 -3.916 -5.827 1.00 0.00 N ATOM 841 CA GLY A 71 11.431 -4.554 -5.358 1.00 0.00 C ATOM 842 C GLY A 71 11.733 -4.225 -3.909 1.00 0.00 C ATOM 843 O GLY A 71 12.893 -4.070 -3.531 1.00 0.00 O ATOM 0 H GLY A 71 9.447 -4.558 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.338 -5.634 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.268 -4.239 -5.981 1.00 0.00 H new ATOM 847 N THR A 72 10.696 -4.126 -3.096 1.00 0.00 N ATOM 848 CA THR A 72 10.861 -3.740 -1.708 1.00 0.00 C ATOM 849 C THR A 72 10.463 -4.872 -0.766 1.00 0.00 C ATOM 850 O THR A 72 9.320 -4.948 -0.315 1.00 0.00 O ATOM 851 CB THR A 72 10.022 -2.491 -1.396 1.00 0.00 C ATOM 852 OG1 THR A 72 8.664 -2.720 -1.767 1.00 0.00 O ATOM 853 CG2 THR A 72 10.548 -1.288 -2.150 1.00 0.00 C ATOM 0 H THR A 72 9.732 -4.308 -3.374 1.00 0.00 H new ATOM 0 HA THR A 72 11.916 -3.516 -1.551 1.00 0.00 H new ATOM 0 HB THR A 72 10.087 -2.292 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.073 -2.209 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.939 -0.416 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.581 -1.099 -1.858 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.503 -1.482 -3.222 1.00 0.00 H new ATOM 861 N ALA A 73 11.406 -5.761 -0.484 1.00 0.00 N ATOM 862 CA ALA A 73 11.176 -6.837 0.468 1.00 0.00 C ATOM 863 C ALA A 73 11.740 -6.464 1.834 1.00 0.00 C ATOM 864 O ALA A 73 11.510 -7.157 2.826 1.00 0.00 O ATOM 865 CB ALA A 73 11.792 -8.135 -0.033 1.00 0.00 C ATOM 0 H ALA A 73 12.337 -5.758 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 73 10.101 -6.988 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.610 -8.928 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.342 -8.406 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.866 -8.002 -0.163 1.00 0.00 H new ATOM 871 N ALA A 74 12.491 -5.368 1.867 1.00 0.00 N ATOM 872 CA ALA A 74 13.041 -4.842 3.099 1.00 0.00 C ATOM 873 C ALA A 74 11.919 -4.363 3.996 1.00 0.00 C ATOM 874 O ALA A 74 11.078 -3.573 3.574 1.00 0.00 O ATOM 875 CB ALA A 74 14.010 -3.708 2.804 1.00 0.00 C ATOM 0 H ALA A 74 12.732 -4.824 1.038 1.00 0.00 H new ATOM 0 HA ALA A 74 13.588 -5.633 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.415 -3.323 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.824 -4.078 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.486 -2.909 2.279 1.00 0.00 H new ATOM 881 N ASP A 75 11.934 -4.855 5.224 1.00 0.00 N ATOM 882 CA ASP A 75 10.854 -4.644 6.193 1.00 0.00 C ATOM 883 C ASP A 75 9.599 -5.372 5.719 1.00 0.00 C ATOM 884 O ASP A 75 8.798 -4.838 4.951 1.00 0.00 O ATOM 885 CB ASP A 75 10.569 -3.152 6.427 1.00 0.00 C ATOM 886 CG ASP A 75 9.746 -2.898 7.683 1.00 0.00 C ATOM 887 OD1 ASP A 75 9.811 -1.775 8.225 1.00 0.00 O ATOM 888 OD2 ASP A 75 9.049 -3.818 8.154 1.00 0.00 O ATOM 0 H ASP A 75 12.702 -5.420 5.587 1.00 0.00 H new ATOM 0 HA ASP A 75 11.171 -5.054 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.514 -2.614 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.040 -2.748 5.564 1.00 0.00 H new ATOM 893 N GLU A 76 9.457 -6.600 6.202 1.00 0.00 N ATOM 894 CA GLU A 76 8.441 -7.534 5.760 1.00 0.00 C ATOM 895 C GLU A 76 7.038 -6.930 5.755 1.00 0.00 C ATOM 896 O GLU A 76 6.528 -6.484 6.785 1.00 0.00 O ATOM 897 CB GLU A 76 8.523 -8.777 6.662 1.00 0.00 C ATOM 898 CG GLU A 76 7.283 -9.656 6.690 1.00 0.00 C ATOM 899 CD GLU A 76 6.422 -9.398 7.913 1.00 0.00 C ATOM 900 OE1 GLU A 76 6.801 -9.839 9.017 1.00 0.00 O ATOM 901 OE2 GLU A 76 5.365 -8.754 7.779 1.00 0.00 O ATOM 0 H GLU A 76 10.063 -6.979 6.930 1.00 0.00 H new ATOM 0 HA GLU A 76 8.633 -7.805 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.368 -9.384 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.737 -8.451 7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.694 -9.479 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.583 -10.704 6.674 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 1.575 19.157 5.603 1.00 0.00 N ATOM 910 CA SER B 101 0.706 18.040 6.026 1.00 0.00 C ATOM 911 C SER B 101 1.238 16.706 5.508 1.00 0.00 C ATOM 912 O SER B 101 1.273 16.471 4.301 1.00 0.00 O ATOM 913 CB SER B 101 -0.708 18.273 5.501 1.00 0.00 C ATOM 914 OG SER B 101 -1.234 19.499 5.979 1.00 0.00 O ATOM 0 HA SER B 101 0.694 18.001 7.115 1.00 0.00 H new ATOM 0 HB2 SER B 101 -0.698 18.278 4.411 1.00 0.00 H new ATOM 0 HB3 SER B 101 -1.354 17.451 5.810 1.00 0.00 H new ATOM 0 HG SER B 101 -0.528 20.178 5.984 1.00 0.00 H new ATOM 922 N GLN B 102 1.639 15.830 6.426 1.00 0.00 N ATOM 923 CA GLN B 102 2.132 14.505 6.058 1.00 0.00 C ATOM 924 C GLN B 102 0.988 13.654 5.505 1.00 0.00 C ATOM 925 O GLN B 102 1.206 12.733 4.720 1.00 0.00 O ATOM 926 CB GLN B 102 2.776 13.810 7.265 1.00 0.00 C ATOM 927 CG GLN B 102 3.524 12.532 6.904 1.00 0.00 C ATOM 928 CD GLN B 102 4.159 11.851 8.104 1.00 0.00 C ATOM 929 OE1 GLN B 102 3.510 11.937 9.255 1.00 0.00 O flip ATOM 930 NE2 GLN B 102 5.214 11.224 7.990 1.00 0.00 N flip ATOM 0 H GLN B 102 1.632 16.013 7.429 1.00 0.00 H new ATOM 0 HA GLN B 102 2.892 14.622 5.285 1.00 0.00 H new ATOM 0 HB2 GLN B 102 3.467 14.502 7.747 1.00 0.00 H new ATOM 0 HB3 GLN B 102 2.001 13.574 7.994 1.00 0.00 H new ATOM 0 HG2 GLN B 102 2.834 11.838 6.424 1.00 0.00 H new ATOM 0 HG3 GLN B 102 4.300 12.766 6.175 1.00 0.00 H new ATOM 0 HE21 GLN B 102 5.686 11.180 7.087 1.00 0.00 H new ATOM 0 HE22 GLN B 102 5.615 10.749 8.799 1.00 0.00 H new ATOM 939 N GLU B 103 -0.230 13.984 5.927 1.00 0.00 N ATOM 940 CA GLU B 103 -1.440 13.339 5.422 1.00 0.00 C ATOM 941 C GLU B 103 -1.487 13.371 3.892 1.00 0.00 C ATOM 942 O GLU B 103 -1.866 12.390 3.251 1.00 0.00 O ATOM 943 CB GLU B 103 -2.674 14.037 6.003 1.00 0.00 C ATOM 944 CG GLU B 103 -3.997 13.473 5.513 1.00 0.00 C ATOM 945 CD GLU B 103 -5.188 14.152 6.160 1.00 0.00 C ATOM 946 OE1 GLU B 103 -5.551 15.267 5.727 1.00 0.00 O ATOM 947 OE2 GLU B 103 -5.776 13.573 7.096 1.00 0.00 O ATOM 0 H GLU B 103 -0.406 14.704 6.627 1.00 0.00 H new ATOM 0 HA GLU B 103 -1.431 12.295 5.734 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -2.641 13.964 7.090 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.629 15.097 5.754 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -4.060 13.588 4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -4.033 12.404 5.722 1.00 0.00 H new ATOM 954 N LYS B 104 -1.076 14.495 3.314 1.00 0.00 N ATOM 955 CA LYS B 104 -1.099 14.656 1.866 1.00 0.00 C ATOM 956 C LYS B 104 -0.099 13.720 1.204 1.00 0.00 C ATOM 957 O LYS B 104 -0.335 13.215 0.116 1.00 0.00 O ATOM 958 CB LYS B 104 -0.792 16.100 1.472 1.00 0.00 C ATOM 959 CG LYS B 104 -1.747 17.110 2.073 1.00 0.00 C ATOM 960 CD LYS B 104 -1.627 18.453 1.380 1.00 0.00 C ATOM 961 CE LYS B 104 -2.545 19.483 2.009 1.00 0.00 C ATOM 962 NZ LYS B 104 -2.641 20.711 1.181 1.00 0.00 N ATOM 0 H LYS B 104 -0.724 15.305 3.825 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.102 14.404 1.521 1.00 0.00 H new ATOM 0 HB2 LYS B 104 0.224 16.344 1.782 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -0.823 16.185 0.386 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -2.770 16.743 1.988 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -1.537 17.226 3.136 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -0.596 18.801 1.434 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -1.871 18.342 0.324 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -3.538 19.054 2.140 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -2.176 19.741 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -3.277 21.392 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -1.697 21.134 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -3.017 20.468 0.242 1.00 0.00 H new ATOM 976 N PHE B 105 1.006 13.467 1.879 1.00 0.00 N ATOM 977 CA PHE B 105 2.032 12.586 1.346 1.00 0.00 C ATOM 978 C PHE B 105 1.479 11.175 1.163 1.00 0.00 C ATOM 979 O PHE B 105 1.990 10.402 0.362 1.00 0.00 O ATOM 980 CB PHE B 105 3.248 12.583 2.280 1.00 0.00 C ATOM 981 CG PHE B 105 4.386 11.722 1.815 1.00 0.00 C ATOM 982 CD1 PHE B 105 5.276 12.186 0.860 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.564 10.448 2.328 1.00 0.00 C ATOM 984 CE1 PHE B 105 6.320 11.397 0.426 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.609 9.655 1.899 1.00 0.00 C ATOM 986 CZ PHE B 105 6.493 10.129 0.964 1.00 0.00 C ATOM 0 H PHE B 105 1.218 13.858 2.797 1.00 0.00 H new ATOM 0 HA PHE B 105 2.346 12.952 0.368 1.00 0.00 H new ATOM 0 HB2 PHE B 105 3.606 13.606 2.394 1.00 0.00 H new ATOM 0 HB3 PHE B 105 2.932 12.244 3.267 1.00 0.00 H new ATOM 0 HD1 PHE B 105 5.150 13.178 0.451 1.00 0.00 H new ATOM 0 HD2 PHE B 105 3.878 10.071 3.072 1.00 0.00 H new ATOM 0 HE1 PHE B 105 7.000 11.764 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE B 105 5.731 8.660 2.300 1.00 0.00 H new ATOM 0 HZ PHE B 105 7.324 9.516 0.646 1.00 0.00 H new ATOM 996 N PHE B 106 0.428 10.854 1.908 1.00 0.00 N ATOM 997 CA PHE B 106 -0.221 9.557 1.788 1.00 0.00 C ATOM 998 C PHE B 106 -1.433 9.620 0.861 1.00 0.00 C ATOM 999 O PHE B 106 -1.553 8.831 -0.077 1.00 0.00 O ATOM 1000 CB PHE B 106 -0.629 9.039 3.169 1.00 0.00 C ATOM 1001 CG PHE B 106 0.544 8.821 4.078 1.00 0.00 C ATOM 1002 CD1 PHE B 106 0.667 9.525 5.266 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.537 7.926 3.729 1.00 0.00 C ATOM 1004 CE1 PHE B 106 1.761 9.330 6.090 1.00 0.00 C ATOM 1005 CE2 PHE B 106 2.628 7.727 4.548 1.00 0.00 C ATOM 1006 CZ PHE B 106 2.745 8.430 5.728 1.00 0.00 C ATOM 0 H PHE B 106 0.008 11.474 2.601 1.00 0.00 H new ATOM 0 HA PHE B 106 0.496 8.864 1.347 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -1.314 9.750 3.631 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -1.173 8.101 3.054 1.00 0.00 H new ATOM 0 HD1 PHE B 106 -0.098 10.232 5.551 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.458 7.376 2.803 1.00 0.00 H new ATOM 0 HE1 PHE B 106 1.846 9.881 7.015 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.393 7.019 4.265 1.00 0.00 H new ATOM 0 HZ PHE B 106 3.602 8.278 6.367 1.00 0.00 H new ATOM 1016 N GLN B 107 -2.324 10.570 1.115 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.590 10.639 0.393 1.00 0.00 C ATOM 1018 C GLN B 107 -3.438 11.299 -0.978 1.00 0.00 C ATOM 1019 O GLN B 107 -3.937 10.784 -1.981 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.625 11.400 1.224 1.00 0.00 C ATOM 1021 CG GLN B 107 -5.995 11.471 0.572 1.00 0.00 C ATOM 1022 CD GLN B 107 -7.007 12.239 1.401 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -6.660 13.170 2.129 1.00 0.00 O ATOM 1024 NE2 GLN B 107 -8.266 11.845 1.298 1.00 0.00 N ATOM 0 H GLN B 107 -2.195 11.302 1.813 1.00 0.00 H new ATOM 0 HA GLN B 107 -3.927 9.616 0.229 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -4.720 10.921 2.198 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -4.263 12.413 1.401 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -5.902 11.943 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -6.364 10.459 0.404 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -8.509 11.069 0.682 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -8.994 12.318 1.834 1.00 0.00 H new ATOM 1033 N GLU B 108 -2.742 12.428 -1.011 1.00 0.00 N ATOM 1034 CA GLU B 108 -2.626 13.236 -2.222 1.00 0.00 C ATOM 1035 C GLU B 108 -1.895 12.460 -3.314 1.00 0.00 C ATOM 1036 O GLU B 108 -2.375 12.356 -4.440 1.00 0.00 O ATOM 1037 CB GLU B 108 -1.874 14.534 -1.893 1.00 0.00 C ATOM 1038 CG GLU B 108 -2.237 15.733 -2.758 1.00 0.00 C ATOM 1039 CD GLU B 108 -1.912 15.543 -4.222 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -0.731 15.698 -4.598 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -2.843 15.267 -5.006 1.00 0.00 O ATOM 0 H GLU B 108 -2.245 12.809 -0.206 1.00 0.00 H new ATOM 0 HA GLU B 108 -3.623 13.479 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -2.062 14.789 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -0.804 14.349 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -3.303 15.936 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -1.708 16.611 -2.388 1.00 0.00 H new ATOM 1048 N LEU B 109 -0.756 11.878 -2.959 1.00 0.00 N ATOM 1049 CA LEU B 109 0.095 11.194 -3.933 1.00 0.00 C ATOM 1050 C LEU B 109 -0.542 9.909 -4.462 1.00 0.00 C ATOM 1051 O LEU B 109 -0.036 9.308 -5.404 1.00 0.00 O ATOM 1052 CB LEU B 109 1.455 10.866 -3.321 1.00 0.00 C ATOM 1053 CG LEU B 109 2.296 12.067 -2.890 1.00 0.00 C ATOM 1054 CD1 LEU B 109 3.618 11.595 -2.309 1.00 0.00 C ATOM 1055 CD2 LEU B 109 2.529 13.007 -4.064 1.00 0.00 C ATOM 0 H LEU B 109 -0.398 11.864 -2.004 1.00 0.00 H new ATOM 0 HA LEU B 109 0.220 11.879 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU B 109 1.297 10.226 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU B 109 2.028 10.286 -4.044 1.00 0.00 H new ATOM 0 HG LEU B 109 1.754 12.616 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU B 109 4.210 12.458 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU B 109 3.429 10.961 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU B 109 4.164 11.027 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU B 109 3.130 13.856 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU B 109 3.054 12.475 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU B 109 1.570 13.364 -4.440 1.00 0.00 H new ATOM 1067 N PHE B 110 -1.640 9.477 -3.854 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.298 8.253 -4.286 1.00 0.00 C ATOM 1069 C PHE B 110 -3.563 8.576 -5.083 1.00 0.00 C ATOM 1070 O PHE B 110 -4.204 7.689 -5.645 1.00 0.00 O ATOM 1071 CB PHE B 110 -2.639 7.373 -3.077 1.00 0.00 C ATOM 1072 CG PHE B 110 -2.707 5.909 -3.403 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -3.852 5.353 -3.949 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -1.616 5.091 -3.170 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -3.906 4.008 -4.257 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.665 3.745 -3.473 1.00 0.00 C ATOM 1077 CZ PHE B 110 -2.811 3.203 -4.017 1.00 0.00 C ATOM 0 H PHE B 110 -2.088 9.950 -3.070 1.00 0.00 H new ATOM 0 HA PHE B 110 -1.613 7.704 -4.933 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -1.890 7.530 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -3.597 7.690 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -4.712 5.978 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -0.715 5.510 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -4.804 3.587 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -0.807 3.117 -3.284 1.00 0.00 H new ATOM 0 HZ PHE B 110 -2.851 2.150 -4.255 1.00 0.00 H new ATOM 1087 N ASP B 111 -3.914 9.852 -5.145 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.154 10.261 -5.796 1.00 0.00 C ATOM 1089 C ASP B 111 -5.001 10.223 -7.314 1.00 0.00 C ATOM 1090 O ASP B 111 -5.977 10.053 -8.045 1.00 0.00 O ATOM 1091 CB ASP B 111 -5.574 11.659 -5.335 1.00 0.00 C ATOM 1092 CG ASP B 111 -7.049 11.920 -5.570 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -7.376 12.680 -6.512 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -7.888 11.357 -4.837 1.00 0.00 O ATOM 0 H ASP B 111 -3.364 10.618 -4.756 1.00 0.00 H new ATOM 0 HA ASP B 111 -5.936 9.558 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -5.351 11.772 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -4.985 12.407 -5.866 1.00 0.00 H new ATOM 1099 N SER B 112 -3.772 10.377 -7.782 1.00 0.00 N ATOM 1100 CA SER B 112 -3.470 10.279 -9.200 1.00 0.00 C ATOM 1101 C SER B 112 -2.027 9.837 -9.399 1.00 0.00 C ATOM 1102 O SER B 112 -1.123 10.692 -9.311 1.00 0.00 O ATOM 1103 CB SER B 112 -3.711 11.617 -9.903 1.00 0.00 C ATOM 1104 OG SER B 112 -5.073 12.019 -9.803 1.00 0.00 O ATOM 1105 OXT SER B 112 -1.804 8.634 -9.638 1.00 0.00 O ATOM 0 H SER B 112 -2.962 10.572 -7.194 1.00 0.00 H new ATOM 0 HA SER B 112 -4.135 9.536 -9.640 1.00 0.00 H new ATOM 0 HB2 SER B 112 -3.071 12.382 -9.462 1.00 0.00 H new ATOM 0 HB3 SER B 112 -3.431 11.534 -10.953 1.00 0.00 H new ATOM 0 HG SER B 112 -5.582 11.334 -9.321 1.00 0.00 H new TER 1111 SER B 112