USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 34 TYR OH : rot -129:sc= 1.22 USER MOD Set 1.2: A 36 SER OG : rot 83:sc= 2.51 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -156:sc= 1.38 (180deg=-0.196) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 0.177 K(o=2.7,f=-10!) USER MOD Set 2.3: A 61 THR OG1 : rot 165:sc= 1.1 USER MOD Set 3.1: A 20 HIS : no HD1:sc= -1.06 K(o=-1.5,f=-0.36) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 164:sc= -0.406 (180deg=-0.141) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.59 (180deg=0.493) USER MOD Single : A 13 MET CE :methyl 138:sc= -0.344 (180deg=-1.66) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00159 USER MOD Single : A 24 SER OG : rot 86:sc= 0.481 USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 35 CYS SG : rot 69:sc= 1.34 USER MOD Single : A 41 THR OG1 : rot -160:sc= -0.113 USER MOD Single : A 42 ASN : amide:sc= 1.71 K(o=1.7,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= 0.447 (180deg=-4.37!) USER MOD Single : A 45 HIS : no HE2:sc= 0.338 K(o=0.34,f=-5.8!) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 1.09 (180deg=-0.0571!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.62 K(o=1.6,f=-11!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 0.499 (180deg=0.176) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.604 -10.349 -5.029 1.00 5.49 N ATOM 2 CA MET A 1 -14.807 -10.538 -6.470 1.00 4.15 C ATOM 3 C MET A 1 -14.440 -9.235 -7.169 1.00 3.16 C ATOM 4 O MET A 1 -14.658 -8.173 -6.589 1.00 4.13 O ATOM 5 CB MET A 1 -16.251 -10.947 -6.787 1.00 4.70 C ATOM 6 CG MET A 1 -16.632 -12.285 -6.143 1.00 5.71 C ATOM 7 SD MET A 1 -18.303 -12.846 -6.554 1.00 6.61 S ATOM 8 CE MET A 1 -18.358 -14.385 -5.610 1.00 7.88 C ATOM 0 H1 MET A 1 -14.799 -11.241 -4.531 1.00 5.49 H new ATOM 0 H2 MET A 1 -13.620 -10.061 -4.852 1.00 5.49 H new ATOM 0 H3 MET A 1 -15.249 -9.611 -4.682 1.00 5.49 H new ATOM 0 HA MET A 1 -14.172 -11.348 -6.828 1.00 4.15 H new ATOM 0 HB2 MET A 1 -16.931 -10.171 -6.436 1.00 4.70 H new ATOM 0 HB3 MET A 1 -16.377 -11.017 -7.867 1.00 4.70 H new ATOM 0 HG2 MET A 1 -15.917 -13.045 -6.457 1.00 5.71 H new ATOM 0 HG3 MET A 1 -16.546 -12.194 -5.060 1.00 5.71 H new ATOM 0 HE1 MET A 1 -19.327 -14.864 -5.751 1.00 7.88 H new ATOM 0 HE2 MET A 1 -17.569 -15.053 -5.956 1.00 7.88 H new ATOM 0 HE3 MET A 1 -18.211 -14.168 -4.552 1.00 7.88 H new ATOM 20 N GLY A 2 -13.878 -9.315 -8.380 1.00 2.29 N ATOM 21 CA GLY A 2 -13.297 -8.162 -9.054 1.00 2.51 C ATOM 22 C GLY A 2 -11.948 -7.802 -8.429 1.00 1.72 C ATOM 23 O GLY A 2 -11.670 -8.166 -7.288 1.00 2.18 O ATOM 0 H GLY A 2 -13.816 -10.181 -8.915 1.00 2.29 H new ATOM 0 HA2 GLY A 2 -13.167 -8.380 -10.114 1.00 2.51 H new ATOM 0 HA3 GLY A 2 -13.976 -7.312 -8.984 1.00 2.51 H new ATOM 27 N ASP A 3 -11.092 -7.110 -9.178 1.00 1.80 N ATOM 28 CA ASP A 3 -9.815 -6.624 -8.690 1.00 1.23 C ATOM 29 C ASP A 3 -10.052 -5.414 -7.788 1.00 1.18 C ATOM 30 O ASP A 3 -10.800 -4.506 -8.143 1.00 1.94 O ATOM 31 CB ASP A 3 -8.920 -6.264 -9.886 1.00 1.48 C ATOM 32 CG ASP A 3 -9.582 -5.261 -10.824 1.00 2.22 C ATOM 33 OD1 ASP A 3 -10.659 -5.614 -11.352 1.00 2.83 O ATOM 34 OD2 ASP A 3 -8.989 -4.172 -10.997 1.00 3.28 O ATOM 0 H ASP A 3 -11.274 -6.871 -10.153 1.00 1.80 H new ATOM 0 HA ASP A 3 -9.311 -7.394 -8.106 1.00 1.23 H new ATOM 0 HB2 ASP A 3 -7.979 -5.851 -9.522 1.00 1.48 H new ATOM 0 HB3 ASP A 3 -8.677 -7.170 -10.440 1.00 1.48 H new ATOM 39 N GLY A 4 -9.420 -5.383 -6.613 1.00 1.32 N ATOM 40 CA GLY A 4 -9.540 -4.254 -5.710 1.00 1.57 C ATOM 41 C GLY A 4 -9.018 -2.974 -6.364 1.00 1.18 C ATOM 42 O GLY A 4 -8.111 -3.013 -7.199 1.00 1.81 O ATOM 0 H GLY A 4 -8.820 -6.133 -6.271 1.00 1.32 H new ATOM 0 HA2 GLY A 4 -10.583 -4.121 -5.424 1.00 1.57 H new ATOM 0 HA3 GLY A 4 -8.982 -4.454 -4.795 1.00 1.57 H new ATOM 46 N VAL A 5 -9.590 -1.835 -5.974 1.00 1.05 N ATOM 47 CA VAL A 5 -9.134 -0.506 -6.345 1.00 1.38 C ATOM 48 C VAL A 5 -9.195 0.327 -5.066 1.00 1.18 C ATOM 49 O VAL A 5 -10.230 0.917 -4.767 1.00 1.45 O ATOM 50 CB VAL A 5 -10.028 0.077 -7.459 1.00 2.23 C ATOM 51 CG1 VAL A 5 -9.505 1.452 -7.897 1.00 2.55 C ATOM 52 CG2 VAL A 5 -10.081 -0.833 -8.693 1.00 3.14 C ATOM 0 H VAL A 5 -10.412 -1.817 -5.370 1.00 1.05 H new ATOM 0 HA VAL A 5 -8.121 -0.515 -6.747 1.00 1.38 H new ATOM 0 HB VAL A 5 -11.032 0.162 -7.042 1.00 2.23 H new ATOM 0 HG11 VAL A 5 -10.145 1.851 -8.683 1.00 2.55 H new ATOM 0 HG12 VAL A 5 -9.510 2.132 -7.045 1.00 2.55 H new ATOM 0 HG13 VAL A 5 -8.487 1.351 -8.274 1.00 2.55 H new ATOM 0 HG21 VAL A 5 -10.722 -0.382 -9.451 1.00 3.14 H new ATOM 0 HG22 VAL A 5 -9.076 -0.959 -9.096 1.00 3.14 H new ATOM 0 HG23 VAL A 5 -10.483 -1.806 -8.411 1.00 3.14 H new ATOM 62 N LEU A 6 -8.123 0.319 -4.268 1.00 0.91 N ATOM 63 CA LEU A 6 -8.048 1.116 -3.054 1.00 0.80 C ATOM 64 C LEU A 6 -6.725 1.867 -3.041 1.00 0.74 C ATOM 65 O LEU A 6 -5.703 1.345 -3.491 1.00 0.80 O ATOM 66 CB LEU A 6 -8.184 0.246 -1.796 1.00 0.94 C ATOM 67 CG LEU A 6 -9.636 -0.168 -1.487 1.00 2.06 C ATOM 68 CD1 LEU A 6 -10.018 -1.506 -2.130 1.00 3.18 C ATOM 69 CD2 LEU A 6 -9.821 -0.278 0.032 1.00 2.34 C ATOM 0 H LEU A 6 -7.289 -0.240 -4.450 1.00 0.91 H new ATOM 0 HA LEU A 6 -8.878 1.823 -3.046 1.00 0.80 H new ATOM 0 HB2 LEU A 6 -7.577 -0.651 -1.917 1.00 0.94 H new ATOM 0 HB3 LEU A 6 -7.781 0.791 -0.942 1.00 0.94 H new ATOM 0 HG LEU A 6 -10.286 0.600 -1.907 1.00 2.06 H new ATOM 0 HD11 LEU A 6 -11.051 -1.748 -1.879 1.00 3.18 H new ATOM 0 HD12 LEU A 6 -9.915 -1.432 -3.213 1.00 3.18 H new ATOM 0 HD13 LEU A 6 -9.360 -2.290 -1.756 1.00 3.18 H new ATOM 0 HD21 LEU A 6 -10.847 -0.571 0.253 1.00 2.34 H new ATOM 0 HD22 LEU A 6 -9.136 -1.028 0.429 1.00 2.34 H new ATOM 0 HD23 LEU A 6 -9.611 0.686 0.495 1.00 2.34 H new ATOM 81 N GLU A 7 -6.762 3.085 -2.496 1.00 0.80 N ATOM 82 CA GLU A 7 -5.601 3.914 -2.283 1.00 0.84 C ATOM 83 C GLU A 7 -5.570 4.260 -0.809 1.00 0.92 C ATOM 84 O GLU A 7 -6.615 4.563 -0.232 1.00 1.33 O ATOM 85 CB GLU A 7 -5.703 5.195 -3.115 1.00 0.90 C ATOM 86 CG GLU A 7 -5.863 4.874 -4.598 1.00 0.92 C ATOM 87 CD GLU A 7 -5.399 6.039 -5.449 1.00 1.24 C ATOM 88 OE1 GLU A 7 -5.674 7.203 -5.075 1.00 2.21 O ATOM 89 OE2 GLU A 7 -4.673 5.786 -6.441 1.00 2.06 O ATOM 0 H GLU A 7 -7.630 3.523 -2.186 1.00 0.80 H new ATOM 0 HA GLU A 7 -4.693 3.391 -2.584 1.00 0.84 H new ATOM 0 HB2 GLU A 7 -6.552 5.787 -2.774 1.00 0.90 H new ATOM 0 HB3 GLU A 7 -4.810 5.802 -2.965 1.00 0.90 H new ATOM 0 HG2 GLU A 7 -5.287 3.983 -4.847 1.00 0.92 H new ATOM 0 HG3 GLU A 7 -6.907 4.650 -4.817 1.00 0.92 H new ATOM 96 N LEU A 8 -4.386 4.242 -0.208 1.00 0.68 N ATOM 97 CA LEU A 8 -4.176 4.863 1.078 1.00 0.68 C ATOM 98 C LEU A 8 -2.897 5.687 0.997 1.00 0.60 C ATOM 99 O LEU A 8 -2.028 5.443 0.157 1.00 0.61 O ATOM 100 CB LEU A 8 -4.260 3.853 2.236 1.00 1.06 C ATOM 101 CG LEU A 8 -3.520 2.515 2.115 1.00 1.19 C ATOM 102 CD1 LEU A 8 -4.200 1.497 1.189 1.00 2.20 C ATOM 103 CD2 LEU A 8 -2.046 2.684 1.769 1.00 2.59 C ATOM 0 H LEU A 8 -3.556 3.798 -0.601 1.00 0.68 H new ATOM 0 HA LEU A 8 -4.984 5.553 1.320 1.00 0.68 H new ATOM 0 HB2 LEU A 8 -3.893 4.351 3.133 1.00 1.06 H new ATOM 0 HB3 LEU A 8 -5.314 3.631 2.403 1.00 1.06 H new ATOM 0 HG LEU A 8 -3.576 2.088 3.116 1.00 1.19 H new ATOM 0 HD11 LEU A 8 -3.611 0.580 1.161 1.00 2.20 H new ATOM 0 HD12 LEU A 8 -5.199 1.275 1.564 1.00 2.20 H new ATOM 0 HD13 LEU A 8 -4.273 1.912 0.184 1.00 2.20 H new ATOM 0 HD21 LEU A 8 -1.575 1.704 1.697 1.00 2.59 H new ATOM 0 HD22 LEU A 8 -1.953 3.203 0.815 1.00 2.59 H new ATOM 0 HD23 LEU A 8 -1.554 3.267 2.548 1.00 2.59 H new ATOM 115 N VAL A 9 -2.839 6.730 1.819 1.00 0.70 N ATOM 116 CA VAL A 9 -1.777 7.715 1.796 1.00 0.63 C ATOM 117 C VAL A 9 -0.757 7.248 2.823 1.00 0.55 C ATOM 118 O VAL A 9 -0.979 7.384 4.024 1.00 0.61 O ATOM 119 CB VAL A 9 -2.335 9.122 2.055 1.00 0.73 C ATOM 120 CG1 VAL A 9 -1.219 10.166 1.924 1.00 0.81 C ATOM 121 CG2 VAL A 9 -3.423 9.462 1.025 1.00 1.14 C ATOM 0 H VAL A 9 -3.545 6.913 2.532 1.00 0.70 H new ATOM 0 HA VAL A 9 -1.295 7.795 0.822 1.00 0.63 H new ATOM 0 HB VAL A 9 -2.752 9.138 3.062 1.00 0.73 H new ATOM 0 HG11 VAL A 9 -1.627 11.160 2.110 1.00 0.81 H new ATOM 0 HG12 VAL A 9 -0.435 9.954 2.651 1.00 0.81 H new ATOM 0 HG13 VAL A 9 -0.801 10.128 0.918 1.00 0.81 H new ATOM 0 HG21 VAL A 9 -3.810 10.462 1.221 1.00 1.14 H new ATOM 0 HG22 VAL A 9 -2.998 9.427 0.022 1.00 1.14 H new ATOM 0 HG23 VAL A 9 -4.234 8.738 1.101 1.00 1.14 H new ATOM 131 N VAL A 10 0.328 6.644 2.342 1.00 0.60 N ATOM 132 CA VAL A 10 1.374 6.019 3.125 1.00 0.56 C ATOM 133 C VAL A 10 2.300 7.106 3.653 1.00 0.59 C ATOM 134 O VAL A 10 3.470 7.179 3.280 1.00 0.80 O ATOM 135 CB VAL A 10 2.093 4.972 2.256 1.00 0.48 C ATOM 136 CG1 VAL A 10 1.177 3.767 2.026 1.00 0.69 C ATOM 137 CG2 VAL A 10 2.539 5.489 0.878 1.00 0.62 C ATOM 0 H VAL A 10 0.504 6.578 1.339 1.00 0.60 H new ATOM 0 HA VAL A 10 0.972 5.489 3.989 1.00 0.56 H new ATOM 0 HB VAL A 10 2.991 4.706 2.814 1.00 0.48 H new ATOM 0 HG11 VAL A 10 1.693 3.030 1.410 1.00 0.69 H new ATOM 0 HG12 VAL A 10 0.916 3.320 2.985 1.00 0.69 H new ATOM 0 HG13 VAL A 10 0.269 4.092 1.519 1.00 0.69 H new ATOM 0 HG21 VAL A 10 3.037 4.687 0.332 1.00 0.62 H new ATOM 0 HG22 VAL A 10 1.668 5.824 0.316 1.00 0.62 H new ATOM 0 HG23 VAL A 10 3.230 6.322 1.008 1.00 0.62 H new ATOM 147 N ARG A 11 1.782 7.965 4.533 1.00 0.53 N ATOM 148 CA ARG A 11 2.467 9.219 4.776 1.00 0.61 C ATOM 149 C ARG A 11 3.695 8.943 5.641 1.00 0.57 C ATOM 150 O ARG A 11 3.598 8.276 6.676 1.00 0.81 O ATOM 151 CB ARG A 11 1.521 10.321 5.285 1.00 0.97 C ATOM 152 CG ARG A 11 0.930 10.134 6.686 1.00 1.29 C ATOM 153 CD ARG A 11 1.787 10.819 7.764 1.00 2.53 C ATOM 154 NE ARG A 11 1.239 10.630 9.116 1.00 3.35 N ATOM 155 CZ ARG A 11 0.158 11.223 9.643 1.00 3.67 C ATOM 156 NH1 ARG A 11 -0.487 12.161 8.942 1.00 3.69 N ATOM 157 NH2 ARG A 11 -0.281 10.881 10.858 1.00 4.92 N ATOM 0 H ARG A 11 0.925 7.819 5.066 1.00 0.53 H new ATOM 0 HA ARG A 11 2.831 9.642 3.840 1.00 0.61 H new ATOM 0 HB2 ARG A 11 2.062 11.267 5.269 1.00 0.97 H new ATOM 0 HB3 ARG A 11 0.696 10.413 4.578 1.00 0.97 H new ATOM 0 HG2 ARG A 11 -0.080 10.542 6.712 1.00 1.29 H new ATOM 0 HG3 ARG A 11 0.850 9.070 6.908 1.00 1.29 H new ATOM 0 HD2 ARG A 11 2.801 10.421 7.726 1.00 2.53 H new ATOM 0 HD3 ARG A 11 1.855 11.885 7.548 1.00 2.53 H new ATOM 0 HE ARG A 11 1.736 9.975 9.719 1.00 3.35 H new ATOM 0 HH11 ARG A 11 -0.156 12.421 8.013 1.00 3.69 H new ATOM 0 HH12 ARG A 11 -1.310 12.617 9.336 1.00 3.69 H new ATOM 0 HH21 ARG A 11 0.207 10.163 11.393 1.00 4.92 H new ATOM 0 HH22 ARG A 11 -1.104 11.338 11.250 1.00 4.92 H new ATOM 171 N GLY A 12 4.857 9.389 5.154 1.00 0.62 N ATOM 172 CA GLY A 12 6.146 9.186 5.798 1.00 0.65 C ATOM 173 C GLY A 12 7.239 8.931 4.761 1.00 0.61 C ATOM 174 O GLY A 12 8.332 9.482 4.863 1.00 0.89 O ATOM 0 H GLY A 12 4.922 9.912 4.281 1.00 0.62 H new ATOM 0 HA2 GLY A 12 6.402 10.062 6.394 1.00 0.65 H new ATOM 0 HA3 GLY A 12 6.085 8.341 6.484 1.00 0.65 H new ATOM 178 N MET A 13 6.955 8.081 3.771 1.00 0.48 N ATOM 179 CA MET A 13 7.902 7.712 2.742 1.00 0.55 C ATOM 180 C MET A 13 8.291 8.916 1.879 1.00 0.69 C ATOM 181 O MET A 13 7.528 9.872 1.741 1.00 1.00 O ATOM 182 CB MET A 13 7.279 6.573 1.938 1.00 0.89 C ATOM 183 CG MET A 13 5.972 6.979 1.248 1.00 0.83 C ATOM 184 SD MET A 13 6.128 7.689 -0.391 1.00 1.66 S ATOM 185 CE MET A 13 6.721 6.230 -1.236 1.00 1.37 C ATOM 0 H MET A 13 6.046 7.629 3.670 1.00 0.48 H new ATOM 0 HA MET A 13 8.839 7.370 3.181 1.00 0.55 H new ATOM 0 HB2 MET A 13 7.991 6.233 1.186 1.00 0.89 H new ATOM 0 HB3 MET A 13 7.088 5.729 2.601 1.00 0.89 H new ATOM 0 HG2 MET A 13 5.333 6.099 1.180 1.00 0.83 H new ATOM 0 HG3 MET A 13 5.458 7.698 1.885 1.00 0.83 H new ATOM 0 HE1 MET A 13 6.226 6.143 -2.203 1.00 1.37 H new ATOM 0 HE2 MET A 13 7.798 6.309 -1.386 1.00 1.37 H new ATOM 0 HE3 MET A 13 6.502 5.347 -0.635 1.00 1.37 H new ATOM 195 N THR A 14 9.503 8.879 1.318 1.00 0.79 N ATOM 196 CA THR A 14 10.119 10.045 0.698 1.00 0.98 C ATOM 197 C THR A 14 10.883 9.706 -0.588 1.00 1.03 C ATOM 198 O THR A 14 10.889 10.519 -1.511 1.00 1.49 O ATOM 199 CB THR A 14 10.971 10.780 1.751 1.00 1.37 C ATOM 200 OG1 THR A 14 11.515 11.968 1.217 1.00 2.08 O ATOM 201 CG2 THR A 14 12.107 9.927 2.327 1.00 1.91 C ATOM 0 H THR A 14 10.080 8.039 1.283 1.00 0.79 H new ATOM 0 HA THR A 14 9.336 10.724 0.361 1.00 0.98 H new ATOM 0 HB THR A 14 10.287 11.009 2.569 1.00 1.37 H new ATOM 0 HG1 THR A 14 12.051 12.419 1.902 1.00 2.08 H new ATOM 0 HG21 THR A 14 12.663 10.510 3.061 1.00 1.91 H new ATOM 0 HG22 THR A 14 11.690 9.042 2.807 1.00 1.91 H new ATOM 0 HG23 THR A 14 12.777 9.622 1.523 1.00 1.91 H new ATOM 209 N CYS A 15 11.529 8.535 -0.678 1.00 0.80 N ATOM 210 CA CYS A 15 12.495 8.266 -1.741 1.00 0.82 C ATOM 211 C CYS A 15 12.469 6.802 -2.169 1.00 0.66 C ATOM 212 O CYS A 15 11.789 5.980 -1.555 1.00 0.58 O ATOM 213 CB CYS A 15 13.892 8.673 -1.258 1.00 0.95 C ATOM 214 SG CYS A 15 14.624 7.550 -0.039 1.00 1.32 S ATOM 0 H CYS A 15 11.397 7.762 -0.026 1.00 0.80 H new ATOM 0 HA CYS A 15 12.226 8.854 -2.619 1.00 0.82 H new ATOM 0 HB2 CYS A 15 14.556 8.736 -2.120 1.00 0.95 H new ATOM 0 HB3 CYS A 15 13.836 9.672 -0.825 1.00 0.95 H new ATOM 219 N ALA A 16 13.251 6.486 -3.209 1.00 0.67 N ATOM 220 CA ALA A 16 13.428 5.153 -3.775 1.00 0.70 C ATOM 221 C ALA A 16 13.543 4.078 -2.689 1.00 0.58 C ATOM 222 O ALA A 16 12.885 3.039 -2.755 1.00 0.61 O ATOM 223 CB ALA A 16 14.674 5.147 -4.666 1.00 0.82 C ATOM 0 H ALA A 16 13.802 7.191 -3.699 1.00 0.67 H new ATOM 0 HA ALA A 16 12.545 4.913 -4.368 1.00 0.70 H new ATOM 0 HB1 ALA A 16 14.812 4.153 -5.092 1.00 0.82 H new ATOM 0 HB2 ALA A 16 14.550 5.873 -5.470 1.00 0.82 H new ATOM 0 HB3 ALA A 16 15.548 5.411 -4.071 1.00 0.82 H new ATOM 229 N SER A 17 14.388 4.337 -1.688 1.00 0.54 N ATOM 230 CA SER A 17 14.605 3.434 -0.575 1.00 0.58 C ATOM 231 C SER A 17 13.304 3.119 0.163 1.00 0.58 C ATOM 232 O SER A 17 13.100 1.978 0.563 1.00 0.79 O ATOM 233 CB SER A 17 15.652 4.038 0.362 1.00 0.73 C ATOM 234 OG SER A 17 16.780 4.430 -0.398 1.00 1.68 O ATOM 0 H SER A 17 14.943 5.191 -1.635 1.00 0.54 H new ATOM 0 HA SER A 17 14.975 2.483 -0.959 1.00 0.58 H new ATOM 0 HB2 SER A 17 15.235 4.897 0.888 1.00 0.73 H new ATOM 0 HB3 SER A 17 15.943 3.311 1.120 1.00 0.73 H new ATOM 0 HG SER A 17 17.455 4.820 0.196 1.00 1.68 H new ATOM 240 N CYS A 18 12.428 4.105 0.363 1.00 0.46 N ATOM 241 CA CYS A 18 11.113 3.858 0.931 1.00 0.48 C ATOM 242 C CYS A 18 10.216 3.144 -0.083 1.00 0.46 C ATOM 243 O CYS A 18 9.640 2.095 0.211 1.00 0.57 O ATOM 244 CB CYS A 18 10.487 5.173 1.397 1.00 0.53 C ATOM 245 SG CYS A 18 11.503 6.159 2.526 1.00 0.78 S ATOM 0 H CYS A 18 12.611 5.083 0.138 1.00 0.46 H new ATOM 0 HA CYS A 18 11.218 3.206 1.798 1.00 0.48 H new ATOM 0 HB2 CYS A 18 10.258 5.778 0.520 1.00 0.53 H new ATOM 0 HB3 CYS A 18 9.539 4.951 1.888 1.00 0.53 H new ATOM 250 N VAL A 19 10.109 3.727 -1.283 1.00 0.41 N ATOM 251 CA VAL A 19 9.254 3.271 -2.372 1.00 0.42 C ATOM 252 C VAL A 19 9.373 1.761 -2.505 1.00 0.43 C ATOM 253 O VAL A 19 8.378 1.037 -2.429 1.00 0.42 O ATOM 254 CB VAL A 19 9.662 3.987 -3.676 1.00 0.46 C ATOM 255 CG1 VAL A 19 9.127 3.327 -4.955 1.00 0.62 C ATOM 256 CG2 VAL A 19 9.220 5.452 -3.659 1.00 0.47 C ATOM 0 H VAL A 19 10.640 4.563 -1.526 1.00 0.41 H new ATOM 0 HA VAL A 19 8.212 3.513 -2.164 1.00 0.42 H new ATOM 0 HB VAL A 19 10.749 3.911 -3.704 1.00 0.46 H new ATOM 0 HG11 VAL A 19 9.461 3.894 -5.824 1.00 0.62 H new ATOM 0 HG12 VAL A 19 9.503 2.306 -5.022 1.00 0.62 H new ATOM 0 HG13 VAL A 19 8.037 3.312 -4.928 1.00 0.62 H new ATOM 0 HG21 VAL A 19 9.520 5.933 -4.590 1.00 0.47 H new ATOM 0 HG22 VAL A 19 8.136 5.504 -3.557 1.00 0.47 H new ATOM 0 HG23 VAL A 19 9.689 5.964 -2.818 1.00 0.47 H new ATOM 266 N HIS A 20 10.602 1.272 -2.681 1.00 0.48 N ATOM 267 CA HIS A 20 10.791 -0.127 -2.953 1.00 0.52 C ATOM 268 C HIS A 20 10.473 -1.004 -1.735 1.00 0.53 C ATOM 269 O HIS A 20 10.174 -2.181 -1.902 1.00 0.54 O ATOM 270 CB HIS A 20 12.146 -0.337 -3.642 1.00 0.61 C ATOM 271 CG HIS A 20 13.424 -0.172 -2.854 1.00 0.77 C ATOM 272 ND1 HIS A 20 14.688 -0.194 -3.396 1.00 1.19 N ATOM 273 CD2 HIS A 20 13.577 -0.172 -1.497 1.00 0.79 C ATOM 274 CE1 HIS A 20 15.567 -0.227 -2.381 1.00 1.35 C ATOM 275 NE2 HIS A 20 14.935 -0.252 -1.196 1.00 1.09 N ATOM 0 H HIS A 20 11.458 1.824 -2.638 1.00 0.48 H new ATOM 0 HA HIS A 20 10.056 -0.484 -3.674 1.00 0.52 H new ATOM 0 HB2 HIS A 20 12.147 -1.346 -4.056 1.00 0.61 H new ATOM 0 HB3 HIS A 20 12.192 0.353 -4.484 1.00 0.61 H new ATOM 0 HD2 HIS A 20 12.776 -0.119 -0.775 1.00 0.79 H new ATOM 0 HE1 HIS A 20 16.640 -0.233 -2.502 1.00 1.35 H new ATOM 0 HE2 HIS A 20 15.360 -0.316 -0.271 1.00 1.09 H new ATOM 283 N LYS A 21 10.498 -0.468 -0.503 1.00 0.59 N ATOM 284 CA LYS A 21 10.058 -1.231 0.655 1.00 0.65 C ATOM 285 C LYS A 21 8.556 -1.385 0.537 1.00 0.62 C ATOM 286 O LYS A 21 8.060 -2.497 0.669 1.00 0.75 O ATOM 287 CB LYS A 21 10.431 -0.580 1.999 1.00 0.80 C ATOM 288 CG LYS A 21 11.931 -0.427 2.280 1.00 0.98 C ATOM 289 CD LYS A 21 12.653 -1.649 2.875 1.00 2.26 C ATOM 290 CE LYS A 21 12.838 -2.858 1.942 1.00 4.11 C ATOM 291 NZ LYS A 21 13.302 -2.478 0.591 1.00 5.75 N ATOM 0 H LYS A 21 10.815 0.479 -0.295 1.00 0.59 H new ATOM 0 HA LYS A 21 10.567 -2.195 0.656 1.00 0.65 H new ATOM 0 HB2 LYS A 21 9.971 0.407 2.041 1.00 0.80 H new ATOM 0 HB3 LYS A 21 9.990 -1.172 2.801 1.00 0.80 H new ATOM 0 HG2 LYS A 21 12.426 -0.161 1.346 1.00 0.98 H new ATOM 0 HG3 LYS A 21 12.065 0.412 2.962 1.00 0.98 H new ATOM 0 HD2 LYS A 21 13.637 -1.330 3.219 1.00 2.26 H new ATOM 0 HD3 LYS A 21 12.099 -1.978 3.754 1.00 2.26 H new ATOM 0 HE2 LYS A 21 13.556 -3.547 2.387 1.00 4.11 H new ATOM 0 HE3 LYS A 21 11.892 -3.394 1.858 1.00 4.11 H new ATOM 0 HZ1 LYS A 21 13.665 -3.319 0.099 1.00 5.75 H new ATOM 0 HZ2 LYS A 21 12.508 -2.077 0.051 1.00 5.75 H new ATOM 0 HZ3 LYS A 21 14.059 -1.770 0.671 1.00 5.75 H new ATOM 305 N ILE A 22 7.837 -0.296 0.261 1.00 0.51 N ATOM 306 CA ILE A 22 6.395 -0.385 0.083 1.00 0.58 C ATOM 307 C ILE A 22 6.062 -1.396 -1.018 1.00 0.60 C ATOM 308 O ILE A 22 5.324 -2.341 -0.750 1.00 0.80 O ATOM 309 CB ILE A 22 5.757 1.003 -0.098 1.00 0.60 C ATOM 310 CG1 ILE A 22 6.133 1.843 1.135 1.00 0.55 C ATOM 311 CG2 ILE A 22 4.240 0.842 -0.267 1.00 0.90 C ATOM 312 CD1 ILE A 22 5.332 3.121 1.365 1.00 0.66 C ATOM 0 H ILE A 22 8.225 0.642 0.158 1.00 0.51 H new ATOM 0 HA ILE A 22 5.938 -0.772 0.994 1.00 0.58 H new ATOM 0 HB ILE A 22 6.120 1.512 -0.991 1.00 0.60 H new ATOM 0 HG12 ILE A 22 6.031 1.214 2.019 1.00 0.55 H new ATOM 0 HG13 ILE A 22 7.186 2.112 1.055 1.00 0.55 H new ATOM 0 HG21 ILE A 22 3.782 1.823 -0.396 1.00 0.90 H new ATOM 0 HG22 ILE A 22 4.035 0.228 -1.144 1.00 0.90 H new ATOM 0 HG23 ILE A 22 3.824 0.361 0.618 1.00 0.90 H new ATOM 0 HD11 ILE A 22 5.694 3.620 2.264 1.00 0.66 H new ATOM 0 HD12 ILE A 22 5.451 3.784 0.508 1.00 0.66 H new ATOM 0 HD13 ILE A 22 4.278 2.873 1.487 1.00 0.66 H new ATOM 324 N GLU A 23 6.639 -1.259 -2.214 1.00 0.41 N ATOM 325 CA GLU A 23 6.381 -2.201 -3.300 1.00 0.41 C ATOM 326 C GLU A 23 6.729 -3.642 -2.890 1.00 0.48 C ATOM 327 O GLU A 23 5.853 -4.507 -2.854 1.00 0.54 O ATOM 328 CB GLU A 23 7.131 -1.777 -4.569 1.00 0.64 C ATOM 329 CG GLU A 23 6.640 -0.429 -5.119 1.00 1.11 C ATOM 330 CD GLU A 23 5.215 -0.517 -5.650 1.00 2.16 C ATOM 331 OE1 GLU A 23 5.010 -1.272 -6.622 1.00 3.00 O ATOM 332 OE2 GLU A 23 4.336 0.149 -5.067 1.00 3.42 O ATOM 0 H GLU A 23 7.285 -0.507 -2.452 1.00 0.41 H new ATOM 0 HA GLU A 23 5.313 -2.182 -3.519 1.00 0.41 H new ATOM 0 HB2 GLU A 23 8.197 -1.711 -4.352 1.00 0.64 H new ATOM 0 HB3 GLU A 23 7.008 -2.544 -5.333 1.00 0.64 H new ATOM 0 HG2 GLU A 23 6.688 0.323 -4.332 1.00 1.11 H new ATOM 0 HG3 GLU A 23 7.305 -0.099 -5.917 1.00 1.11 H new ATOM 339 N SER A 24 8.000 -3.911 -2.562 1.00 0.55 N ATOM 340 CA SER A 24 8.446 -5.260 -2.224 1.00 0.71 C ATOM 341 C SER A 24 7.619 -5.857 -1.081 1.00 0.76 C ATOM 342 O SER A 24 7.257 -7.033 -1.107 1.00 0.88 O ATOM 343 CB SER A 24 9.935 -5.250 -1.866 1.00 0.89 C ATOM 344 OG SER A 24 10.706 -4.792 -2.961 1.00 1.58 O ATOM 0 H SER A 24 8.736 -3.206 -2.525 1.00 0.55 H new ATOM 0 HA SER A 24 8.297 -5.892 -3.099 1.00 0.71 H new ATOM 0 HB2 SER A 24 10.103 -4.607 -1.002 1.00 0.89 H new ATOM 0 HB3 SER A 24 10.254 -6.253 -1.584 1.00 0.89 H new ATOM 0 HG SER A 24 10.744 -3.813 -2.948 1.00 1.58 H new ATOM 350 N SER A 25 7.322 -5.049 -0.064 1.00 0.78 N ATOM 351 CA SER A 25 6.530 -5.488 1.068 1.00 1.01 C ATOM 352 C SER A 25 5.108 -5.812 0.611 1.00 0.96 C ATOM 353 O SER A 25 4.599 -6.882 0.926 1.00 1.07 O ATOM 354 CB SER A 25 6.555 -4.427 2.168 1.00 1.24 C ATOM 355 OG SER A 25 5.997 -4.941 3.363 1.00 1.65 O ATOM 0 H SER A 25 7.625 -4.077 -0.008 1.00 0.78 H new ATOM 0 HA SER A 25 6.957 -6.399 1.486 1.00 1.01 H new ATOM 0 HB2 SER A 25 7.581 -4.104 2.348 1.00 1.24 H new ATOM 0 HB3 SER A 25 5.996 -3.548 1.847 1.00 1.24 H new ATOM 0 HG SER A 25 5.874 -4.212 4.007 1.00 1.65 H new ATOM 361 N LEU A 26 4.457 -4.931 -0.152 1.00 0.86 N ATOM 362 CA LEU A 26 3.126 -5.216 -0.671 1.00 0.90 C ATOM 363 C LEU A 26 3.131 -6.543 -1.426 1.00 0.72 C ATOM 364 O LEU A 26 2.281 -7.396 -1.176 1.00 0.85 O ATOM 365 CB LEU A 26 2.605 -4.066 -1.539 1.00 0.95 C ATOM 366 CG LEU A 26 2.186 -2.860 -0.683 1.00 1.26 C ATOM 367 CD1 LEU A 26 2.028 -1.621 -1.569 1.00 3.13 C ATOM 368 CD2 LEU A 26 0.877 -3.110 0.073 1.00 2.40 C ATOM 0 H LEU A 26 4.831 -4.021 -0.421 1.00 0.86 H new ATOM 0 HA LEU A 26 2.438 -5.308 0.169 1.00 0.90 H new ATOM 0 HB2 LEU A 26 3.378 -3.762 -2.244 1.00 0.95 H new ATOM 0 HB3 LEU A 26 1.754 -4.409 -2.127 1.00 0.95 H new ATOM 0 HG LEU A 26 2.973 -2.701 0.054 1.00 1.26 H new ATOM 0 HD11 LEU A 26 1.731 -0.770 -0.955 1.00 3.13 H new ATOM 0 HD12 LEU A 26 2.976 -1.401 -2.059 1.00 3.13 H new ATOM 0 HD13 LEU A 26 1.264 -1.808 -2.324 1.00 3.13 H new ATOM 0 HD21 LEU A 26 0.624 -2.229 0.663 1.00 2.40 H new ATOM 0 HD22 LEU A 26 0.078 -3.311 -0.640 1.00 2.40 H new ATOM 0 HD23 LEU A 26 0.997 -3.968 0.735 1.00 2.40 H new ATOM 380 N THR A 27 4.124 -6.765 -2.291 1.00 0.56 N ATOM 381 CA THR A 27 4.192 -8.011 -3.036 1.00 0.73 C ATOM 382 C THR A 27 4.330 -9.260 -2.143 1.00 1.15 C ATOM 383 O THR A 27 4.104 -10.363 -2.631 1.00 2.04 O ATOM 384 CB THR A 27 5.265 -7.949 -4.133 1.00 1.06 C ATOM 385 OG1 THR A 27 6.502 -7.492 -3.635 1.00 1.98 O ATOM 386 CG2 THR A 27 4.841 -6.997 -5.254 1.00 1.11 C ATOM 0 H THR A 27 4.878 -6.106 -2.486 1.00 0.56 H new ATOM 0 HA THR A 27 3.226 -8.125 -3.528 1.00 0.73 H new ATOM 0 HB THR A 27 5.375 -8.966 -4.509 1.00 1.06 H new ATOM 0 HG1 THR A 27 6.496 -7.533 -2.656 1.00 1.98 H new ATOM 0 HG21 THR A 27 5.616 -6.969 -6.020 1.00 1.11 H new ATOM 0 HG22 THR A 27 3.908 -7.347 -5.695 1.00 1.11 H new ATOM 0 HG23 THR A 27 4.697 -5.996 -4.847 1.00 1.11 H new ATOM 394 N LYS A 28 4.661 -9.130 -0.844 1.00 1.47 N ATOM 395 CA LYS A 28 4.663 -10.284 0.057 1.00 1.72 C ATOM 396 C LYS A 28 3.259 -10.880 0.200 1.00 1.28 C ATOM 397 O LYS A 28 3.110 -12.061 0.513 1.00 1.53 O ATOM 398 CB LYS A 28 5.301 -9.954 1.423 1.00 2.25 C ATOM 399 CG LYS A 28 4.411 -9.207 2.440 1.00 2.98 C ATOM 400 CD LYS A 28 4.059 -10.065 3.666 1.00 3.96 C ATOM 401 CE LYS A 28 3.070 -9.426 4.665 1.00 5.15 C ATOM 402 NZ LYS A 28 3.009 -7.947 4.608 1.00 5.66 N ATOM 0 H LYS A 28 4.926 -8.248 -0.406 1.00 1.47 H new ATOM 0 HA LYS A 28 5.293 -11.049 -0.396 1.00 1.72 H new ATOM 0 HB2 LYS A 28 5.630 -10.887 1.880 1.00 2.25 H new ATOM 0 HB3 LYS A 28 6.193 -9.354 1.246 1.00 2.25 H new ATOM 0 HG2 LYS A 28 4.924 -8.303 2.770 1.00 2.98 H new ATOM 0 HG3 LYS A 28 3.492 -8.890 1.948 1.00 2.98 H new ATOM 0 HD2 LYS A 28 3.638 -11.008 3.318 1.00 3.96 H new ATOM 0 HD3 LYS A 28 4.981 -10.304 4.197 1.00 3.96 H new ATOM 0 HE2 LYS A 28 2.074 -9.826 4.476 1.00 5.15 H new ATOM 0 HE3 LYS A 28 3.348 -9.727 5.675 1.00 5.15 H new ATOM 0 HZ1 LYS A 28 2.671 -7.578 5.520 1.00 5.66 H new ATOM 0 HZ2 LYS A 28 3.957 -7.568 4.411 1.00 5.66 H new ATOM 0 HZ3 LYS A 28 2.356 -7.655 3.853 1.00 5.66 H new ATOM 416 N HIS A 29 2.220 -10.064 0.003 1.00 0.97 N ATOM 417 CA HIS A 29 0.852 -10.533 0.080 1.00 1.16 C ATOM 418 C HIS A 29 0.500 -11.275 -1.205 1.00 1.05 C ATOM 419 O HIS A 29 0.144 -10.653 -2.203 1.00 1.48 O ATOM 420 CB HIS A 29 -0.090 -9.352 0.313 1.00 1.79 C ATOM 421 CG HIS A 29 0.110 -8.700 1.650 1.00 0.77 C ATOM 422 ND1 HIS A 29 -0.436 -9.122 2.837 1.00 1.84 N ATOM 423 CD2 HIS A 29 0.840 -7.573 1.903 1.00 0.80 C ATOM 424 CE1 HIS A 29 -0.082 -8.238 3.781 1.00 2.87 C ATOM 425 NE2 HIS A 29 0.743 -7.304 3.271 1.00 2.24 N ATOM 0 H HIS A 29 2.311 -9.071 -0.212 1.00 0.97 H new ATOM 0 HA HIS A 29 0.742 -11.221 0.918 1.00 1.16 H new ATOM 0 HB2 HIS A 29 0.062 -8.612 -0.473 1.00 1.79 H new ATOM 0 HB3 HIS A 29 -1.121 -9.695 0.232 1.00 1.79 H new ATOM 0 HD1 HIS A 29 -1.007 -9.956 2.975 1.00 1.84 H new ATOM 0 HD2 HIS A 29 1.392 -6.995 1.177 1.00 0.80 H new ATOM 0 HE1 HIS A 29 -0.413 -8.271 4.809 1.00 2.87 H new ATOM 433 N ARG A 30 0.540 -12.609 -1.156 1.00 1.13 N ATOM 434 CA ARG A 30 -0.088 -13.464 -2.154 1.00 1.47 C ATOM 435 C ARG A 30 -1.599 -13.178 -2.137 1.00 1.53 C ATOM 436 O ARG A 30 -2.369 -13.869 -1.468 1.00 2.86 O ATOM 437 CB ARG A 30 0.261 -14.933 -1.848 1.00 2.25 C ATOM 438 CG ARG A 30 -0.178 -15.913 -2.953 1.00 2.77 C ATOM 439 CD ARG A 30 -1.044 -17.055 -2.400 1.00 2.80 C ATOM 440 NE ARG A 30 -2.286 -16.510 -1.839 1.00 3.40 N ATOM 441 CZ ARG A 30 -3.242 -17.158 -1.164 1.00 4.27 C ATOM 442 NH1 ARG A 30 -3.160 -18.481 -0.989 1.00 4.20 N ATOM 443 NH2 ARG A 30 -4.267 -16.457 -0.669 1.00 5.91 N ATOM 0 H ARG A 30 1.014 -13.125 -0.415 1.00 1.13 H new ATOM 0 HA ARG A 30 0.277 -13.261 -3.161 1.00 1.47 H new ATOM 0 HB2 ARG A 30 1.338 -15.020 -1.704 1.00 2.25 H new ATOM 0 HB3 ARG A 30 -0.211 -15.222 -0.909 1.00 2.25 H new ATOM 0 HG2 ARG A 30 -0.737 -15.372 -3.716 1.00 2.77 H new ATOM 0 HG3 ARG A 30 0.704 -16.330 -3.439 1.00 2.77 H new ATOM 0 HD2 ARG A 30 -1.274 -17.766 -3.193 1.00 2.80 H new ATOM 0 HD3 ARG A 30 -0.496 -17.600 -1.632 1.00 2.80 H new ATOM 0 HE ARG A 30 -2.439 -15.512 -1.982 1.00 3.40 H new ATOM 0 HH11 ARG A 30 -2.368 -18.998 -1.370 1.00 4.20 H new ATOM 0 HH12 ARG A 30 -3.890 -18.974 -0.474 1.00 4.20 H new ATOM 0 HH21 ARG A 30 -4.309 -15.448 -0.809 1.00 5.91 H new ATOM 0 HH22 ARG A 30 -5.007 -16.932 -0.151 1.00 5.91 H new ATOM 457 N GLY A 31 -2.010 -12.125 -2.840 1.00 1.33 N ATOM 458 CA GLY A 31 -3.338 -11.534 -2.731 1.00 1.11 C ATOM 459 C GLY A 31 -3.337 -10.091 -3.237 1.00 0.74 C ATOM 460 O GLY A 31 -4.336 -9.619 -3.776 1.00 0.76 O ATOM 0 H GLY A 31 -1.413 -11.649 -3.517 1.00 1.33 H new ATOM 0 HA2 GLY A 31 -4.051 -12.125 -3.306 1.00 1.11 H new ATOM 0 HA3 GLY A 31 -3.667 -11.559 -1.692 1.00 1.11 H new ATOM 464 N ILE A 32 -2.187 -9.406 -3.167 1.00 0.67 N ATOM 465 CA ILE A 32 -2.003 -8.169 -3.890 1.00 0.56 C ATOM 466 C ILE A 32 -1.811 -8.568 -5.355 1.00 0.69 C ATOM 467 O ILE A 32 -0.925 -9.349 -5.697 1.00 0.97 O ATOM 468 CB ILE A 32 -0.832 -7.361 -3.284 1.00 0.58 C ATOM 469 CG1 ILE A 32 -1.227 -5.902 -3.062 1.00 0.74 C ATOM 470 CG2 ILE A 32 0.485 -7.438 -4.059 1.00 0.93 C ATOM 471 CD1 ILE A 32 -1.195 -5.071 -4.342 1.00 2.07 C ATOM 0 H ILE A 32 -1.381 -9.698 -2.615 1.00 0.67 H new ATOM 0 HA ILE A 32 -2.858 -7.496 -3.817 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.635 -7.846 -2.328 1.00 0.58 H new ATOM 0 HG12 ILE A 32 -2.230 -5.864 -2.636 1.00 0.74 H new ATOM 0 HG13 ILE A 32 -0.553 -5.457 -2.330 1.00 0.74 H new ATOM 0 HG21 ILE A 32 1.241 -6.838 -3.552 1.00 0.93 H new ATOM 0 HG22 ILE A 32 0.818 -8.475 -4.109 1.00 0.93 H new ATOM 0 HG23 ILE A 32 0.336 -7.056 -5.069 1.00 0.93 H new ATOM 0 HD11 ILE A 32 -1.485 -4.045 -4.117 1.00 2.07 H new ATOM 0 HD12 ILE A 32 -0.187 -5.080 -4.757 1.00 2.07 H new ATOM 0 HD13 ILE A 32 -1.890 -5.494 -5.068 1.00 2.07 H new ATOM 483 N LEU A 33 -2.704 -8.077 -6.206 1.00 0.65 N ATOM 484 CA LEU A 33 -2.670 -8.271 -7.639 1.00 0.86 C ATOM 485 C LEU A 33 -1.659 -7.285 -8.217 1.00 0.87 C ATOM 486 O LEU A 33 -0.822 -7.671 -9.029 1.00 0.94 O ATOM 487 CB LEU A 33 -4.070 -8.043 -8.237 1.00 1.04 C ATOM 488 CG LEU A 33 -5.188 -8.839 -7.543 1.00 1.47 C ATOM 489 CD1 LEU A 33 -6.554 -8.337 -8.022 1.00 2.50 C ATOM 490 CD2 LEU A 33 -5.055 -10.333 -7.842 1.00 1.99 C ATOM 0 H LEU A 33 -3.497 -7.514 -5.900 1.00 0.65 H new ATOM 0 HA LEU A 33 -2.373 -9.291 -7.884 1.00 0.86 H new ATOM 0 HB2 LEU A 33 -4.308 -6.981 -8.182 1.00 1.04 H new ATOM 0 HB3 LEU A 33 -4.050 -8.311 -9.293 1.00 1.04 H new ATOM 0 HG LEU A 33 -5.101 -8.691 -6.467 1.00 1.47 H new ATOM 0 HD11 LEU A 33 -7.343 -8.903 -7.528 1.00 2.50 H new ATOM 0 HD12 LEU A 33 -6.659 -7.280 -7.778 1.00 2.50 H new ATOM 0 HD13 LEU A 33 -6.633 -8.470 -9.101 1.00 2.50 H new ATOM 0 HD21 LEU A 33 -5.856 -10.877 -7.341 1.00 1.99 H new ATOM 0 HD22 LEU A 33 -5.123 -10.496 -8.918 1.00 1.99 H new ATOM 0 HD23 LEU A 33 -4.091 -10.692 -7.481 1.00 1.99 H new ATOM 502 N TYR A 34 -1.735 -6.010 -7.808 1.00 0.85 N ATOM 503 CA TYR A 34 -0.836 -4.987 -8.314 1.00 1.01 C ATOM 504 C TYR A 34 -0.733 -3.840 -7.307 1.00 0.95 C ATOM 505 O TYR A 34 -1.753 -3.267 -6.925 1.00 1.21 O ATOM 506 CB TYR A 34 -1.359 -4.517 -9.676 1.00 1.20 C ATOM 507 CG TYR A 34 -0.537 -3.428 -10.324 1.00 1.43 C ATOM 508 CD1 TYR A 34 0.609 -3.760 -11.068 1.00 2.00 C ATOM 509 CD2 TYR A 34 -0.932 -2.085 -10.200 1.00 2.90 C ATOM 510 CE1 TYR A 34 1.368 -2.746 -11.678 1.00 2.10 C ATOM 511 CE2 TYR A 34 -0.186 -1.077 -10.827 1.00 3.15 C ATOM 512 CZ TYR A 34 0.986 -1.404 -11.530 1.00 1.98 C ATOM 513 OH TYR A 34 1.805 -0.414 -11.981 1.00 2.22 O ATOM 0 H TYR A 34 -2.415 -5.672 -7.127 1.00 0.85 H new ATOM 0 HA TYR A 34 0.170 -5.384 -8.447 1.00 1.01 H new ATOM 0 HB2 TYR A 34 -1.400 -5.373 -10.350 1.00 1.20 H new ATOM 0 HB3 TYR A 34 -2.381 -4.159 -9.554 1.00 1.20 H new ATOM 0 HD1 TYR A 34 0.906 -4.793 -11.171 1.00 2.00 H new ATOM 0 HD2 TYR A 34 -1.808 -1.830 -9.623 1.00 2.90 H new ATOM 0 HE1 TYR A 34 2.243 -2.999 -12.259 1.00 2.10 H new ATOM 0 HE2 TYR A 34 -0.512 -0.049 -10.770 1.00 3.15 H new ATOM 0 HH TYR A 34 1.943 0.246 -11.270 1.00 2.22 H new ATOM 523 N CYS A 35 0.483 -3.509 -6.873 1.00 0.76 N ATOM 524 CA CYS A 35 0.777 -2.304 -6.101 1.00 0.64 C ATOM 525 C CYS A 35 1.296 -1.233 -7.047 1.00 0.84 C ATOM 526 O CYS A 35 1.887 -1.536 -8.084 1.00 1.32 O ATOM 527 CB CYS A 35 1.812 -2.543 -4.985 1.00 0.67 C ATOM 528 SG CYS A 35 3.265 -3.438 -5.579 1.00 2.70 S ATOM 0 H CYS A 35 1.307 -4.083 -7.052 1.00 0.76 H new ATOM 0 HA CYS A 35 -0.147 -1.990 -5.616 1.00 0.64 H new ATOM 0 HB2 CYS A 35 2.123 -1.585 -4.569 1.00 0.67 H new ATOM 0 HB3 CYS A 35 1.347 -3.106 -4.175 1.00 0.67 H new ATOM 0 HG CYS A 35 3.948 -2.674 -6.379 1.00 2.70 H new ATOM 534 N SER A 36 1.072 0.031 -6.688 1.00 0.68 N ATOM 535 CA SER A 36 1.841 1.148 -7.209 1.00 0.91 C ATOM 536 C SER A 36 1.839 2.266 -6.180 1.00 0.76 C ATOM 537 O SER A 36 0.851 2.992 -6.043 1.00 0.86 O ATOM 538 CB SER A 36 1.286 1.640 -8.548 1.00 1.35 C ATOM 539 OG SER A 36 1.728 0.783 -9.580 1.00 2.10 O ATOM 0 H SER A 36 0.347 0.304 -6.024 1.00 0.68 H new ATOM 0 HA SER A 36 2.863 0.818 -7.393 1.00 0.91 H new ATOM 0 HB2 SER A 36 0.197 1.660 -8.518 1.00 1.35 H new ATOM 0 HB3 SER A 36 1.618 2.660 -8.740 1.00 1.35 H new ATOM 0 HG SER A 36 1.143 -0.002 -9.627 1.00 2.10 H new ATOM 545 N VAL A 37 2.948 2.399 -5.462 1.00 0.75 N ATOM 546 CA VAL A 37 3.241 3.539 -4.633 1.00 0.56 C ATOM 547 C VAL A 37 3.793 4.696 -5.469 1.00 0.79 C ATOM 548 O VAL A 37 4.464 4.479 -6.477 1.00 1.23 O ATOM 549 CB VAL A 37 4.165 3.050 -3.513 1.00 0.52 C ATOM 550 CG1 VAL A 37 5.635 3.096 -3.905 1.00 1.87 C ATOM 551 CG2 VAL A 37 3.955 3.842 -2.239 1.00 1.53 C ATOM 0 H VAL A 37 3.682 1.691 -5.447 1.00 0.75 H new ATOM 0 HA VAL A 37 2.346 3.957 -4.173 1.00 0.56 H new ATOM 0 HB VAL A 37 3.897 2.008 -3.337 1.00 0.52 H new ATOM 0 HG11 VAL A 37 6.244 2.739 -3.075 1.00 1.87 H new ATOM 0 HG12 VAL A 37 5.799 2.461 -4.775 1.00 1.87 H new ATOM 0 HG13 VAL A 37 5.915 4.121 -4.146 1.00 1.87 H new ATOM 0 HG21 VAL A 37 4.626 3.470 -1.465 1.00 1.53 H new ATOM 0 HG22 VAL A 37 4.166 4.895 -2.426 1.00 1.53 H new ATOM 0 HG23 VAL A 37 2.922 3.732 -1.908 1.00 1.53 H new ATOM 561 N ALA A 38 3.509 5.934 -5.054 1.00 0.67 N ATOM 562 CA ALA A 38 4.106 7.126 -5.629 1.00 0.77 C ATOM 563 C ALA A 38 4.274 8.186 -4.549 1.00 0.76 C ATOM 564 O ALA A 38 3.353 8.464 -3.779 1.00 0.75 O ATOM 565 CB ALA A 38 3.285 7.675 -6.788 1.00 0.86 C ATOM 0 H ALA A 38 2.850 6.131 -4.301 1.00 0.67 H new ATOM 0 HA ALA A 38 5.082 6.852 -6.029 1.00 0.77 H new ATOM 0 HB1 ALA A 38 3.769 8.566 -7.187 1.00 0.86 H new ATOM 0 HB2 ALA A 38 3.211 6.921 -7.571 1.00 0.86 H new ATOM 0 HB3 ALA A 38 2.286 7.932 -6.437 1.00 0.86 H new ATOM 571 N LEU A 39 5.475 8.762 -4.506 1.00 0.80 N ATOM 572 CA LEU A 39 5.915 9.596 -3.398 1.00 0.80 C ATOM 573 C LEU A 39 5.320 10.997 -3.437 1.00 0.80 C ATOM 574 O LEU A 39 5.037 11.558 -2.380 1.00 0.85 O ATOM 575 CB LEU A 39 7.446 9.569 -3.269 1.00 0.97 C ATOM 576 CG LEU A 39 8.198 10.250 -4.427 1.00 1.18 C ATOM 577 CD1 LEU A 39 8.541 11.706 -4.083 1.00 2.05 C ATOM 578 CD2 LEU A 39 9.496 9.487 -4.709 1.00 1.72 C ATOM 0 H LEU A 39 6.171 8.660 -5.245 1.00 0.80 H new ATOM 0 HA LEU A 39 5.519 9.165 -2.478 1.00 0.80 H new ATOM 0 HB2 LEU A 39 7.728 10.055 -2.335 1.00 0.97 H new ATOM 0 HB3 LEU A 39 7.774 8.532 -3.200 1.00 0.97 H new ATOM 0 HG LEU A 39 7.552 10.241 -5.305 1.00 1.18 H new ATOM 0 HD11 LEU A 39 9.072 12.162 -4.919 1.00 2.05 H new ATOM 0 HD12 LEU A 39 7.623 12.260 -3.890 1.00 2.05 H new ATOM 0 HD13 LEU A 39 9.173 11.731 -3.195 1.00 2.05 H new ATOM 0 HD21 LEU A 39 10.030 9.968 -5.529 1.00 1.72 H new ATOM 0 HD22 LEU A 39 10.122 9.491 -3.817 1.00 1.72 H new ATOM 0 HD23 LEU A 39 9.261 8.458 -4.983 1.00 1.72 H new ATOM 590 N ALA A 40 5.080 11.539 -4.636 1.00 0.90 N ATOM 591 CA ALA A 40 4.575 12.893 -4.835 1.00 1.09 C ATOM 592 C ALA A 40 3.356 13.180 -3.954 1.00 1.06 C ATOM 593 O ALA A 40 3.313 14.192 -3.261 1.00 1.35 O ATOM 594 CB ALA A 40 4.244 13.103 -6.316 1.00 1.32 C ATOM 0 H ALA A 40 5.236 11.035 -5.509 1.00 0.90 H new ATOM 0 HA ALA A 40 5.352 13.597 -4.538 1.00 1.09 H new ATOM 0 HB1 ALA A 40 3.867 14.115 -6.465 1.00 1.32 H new ATOM 0 HB2 ALA A 40 5.144 12.960 -6.914 1.00 1.32 H new ATOM 0 HB3 ALA A 40 3.485 12.384 -6.625 1.00 1.32 H new ATOM 600 N THR A 41 2.375 12.276 -3.973 1.00 0.89 N ATOM 601 CA THR A 41 1.180 12.356 -3.143 1.00 0.93 C ATOM 602 C THR A 41 1.274 11.413 -1.938 1.00 0.81 C ATOM 603 O THR A 41 0.290 11.232 -1.226 1.00 0.97 O ATOM 604 CB THR A 41 -0.021 11.995 -4.018 1.00 1.17 C ATOM 605 OG1 THR A 41 0.226 10.761 -4.657 1.00 2.18 O ATOM 606 CG2 THR A 41 -0.277 13.059 -5.089 1.00 2.04 C ATOM 0 H THR A 41 2.393 11.455 -4.578 1.00 0.89 H new ATOM 0 HA THR A 41 1.073 13.366 -2.747 1.00 0.93 H new ATOM 0 HB THR A 41 -0.899 11.932 -3.376 1.00 1.17 H new ATOM 0 HG1 THR A 41 -0.361 10.673 -5.437 1.00 2.18 H new ATOM 0 HG21 THR A 41 -1.138 12.769 -5.692 1.00 2.04 H new ATOM 0 HG22 THR A 41 -0.476 14.017 -4.609 1.00 2.04 H new ATOM 0 HG23 THR A 41 0.600 13.149 -5.729 1.00 2.04 H new ATOM 614 N ASN A 42 2.433 10.777 -1.737 1.00 0.71 N ATOM 615 CA ASN A 42 2.669 9.755 -0.723 1.00 0.69 C ATOM 616 C ASN A 42 1.559 8.691 -0.767 1.00 0.67 C ATOM 617 O ASN A 42 1.073 8.258 0.276 1.00 0.77 O ATOM 618 CB ASN A 42 2.856 10.436 0.659 1.00 0.79 C ATOM 619 CG ASN A 42 4.298 10.416 1.175 1.00 1.56 C ATOM 620 OD1 ASN A 42 4.544 10.086 2.334 1.00 3.22 O ATOM 621 ND2 ASN A 42 5.275 10.784 0.353 1.00 1.50 N ATOM 0 H ASN A 42 3.261 10.971 -2.300 1.00 0.71 H new ATOM 0 HA ASN A 42 3.593 9.213 -0.925 1.00 0.69 H new ATOM 0 HB2 ASN A 42 2.520 11.471 0.591 1.00 0.79 H new ATOM 0 HB3 ASN A 42 2.214 9.940 1.387 1.00 0.79 H new ATOM 0 HD21 ASN A 42 6.241 10.795 0.681 1.00 1.50 H new ATOM 0 HD22 ASN A 42 5.059 11.056 -0.606 1.00 1.50 H new ATOM 628 N LYS A 43 1.145 8.251 -1.967 1.00 0.70 N ATOM 629 CA LYS A 43 0.064 7.280 -2.103 1.00 0.66 C ATOM 630 C LYS A 43 0.635 5.885 -2.307 1.00 0.57 C ATOM 631 O LYS A 43 1.677 5.753 -2.939 1.00 0.71 O ATOM 632 CB LYS A 43 -0.926 7.650 -3.225 1.00 0.91 C ATOM 633 CG LYS A 43 -0.422 7.475 -4.672 1.00 1.73 C ATOM 634 CD LYS A 43 -1.581 7.345 -5.677 1.00 1.45 C ATOM 635 CE LYS A 43 -2.635 8.462 -5.591 1.00 1.29 C ATOM 636 NZ LYS A 43 -3.784 8.222 -6.497 1.00 1.55 N ATOM 0 H LYS A 43 1.547 8.557 -2.853 1.00 0.70 H new ATOM 0 HA LYS A 43 -0.508 7.294 -1.175 1.00 0.66 H new ATOM 0 HB2 LYS A 43 -1.824 7.045 -3.101 1.00 0.91 H new ATOM 0 HB3 LYS A 43 -1.221 8.690 -3.090 1.00 0.91 H new ATOM 0 HG2 LYS A 43 0.200 8.328 -4.945 1.00 1.73 H new ATOM 0 HG3 LYS A 43 0.209 6.588 -4.731 1.00 1.73 H new ATOM 0 HD2 LYS A 43 -1.169 7.330 -6.686 1.00 1.45 H new ATOM 0 HD3 LYS A 43 -2.074 6.386 -5.520 1.00 1.45 H new ATOM 0 HE2 LYS A 43 -2.994 8.541 -4.565 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -2.171 9.416 -5.841 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -3.791 8.942 -7.247 1.00 1.55 H new ATOM 0 HZ2 LYS A 43 -3.698 7.278 -6.925 1.00 1.55 H new ATOM 0 HZ3 LYS A 43 -4.670 8.277 -5.956 1.00 1.55 H new ATOM 650 N ALA A 44 -0.080 4.863 -1.836 1.00 0.56 N ATOM 651 CA ALA A 44 -0.002 3.504 -2.342 1.00 0.56 C ATOM 652 C ALA A 44 -1.375 3.121 -2.876 1.00 0.61 C ATOM 653 O ALA A 44 -2.343 3.094 -2.114 1.00 0.78 O ATOM 654 CB ALA A 44 0.479 2.551 -1.250 1.00 0.54 C ATOM 0 H ALA A 44 -0.746 4.967 -1.071 1.00 0.56 H new ATOM 0 HA ALA A 44 0.725 3.436 -3.151 1.00 0.56 H new ATOM 0 HB1 ALA A 44 0.531 1.538 -1.648 1.00 0.54 H new ATOM 0 HB2 ALA A 44 1.468 2.858 -0.909 1.00 0.54 H new ATOM 0 HB3 ALA A 44 -0.218 2.576 -0.412 1.00 0.54 H new ATOM 660 N HIS A 45 -1.452 2.835 -4.180 1.00 0.57 N ATOM 661 CA HIS A 45 -2.555 2.162 -4.789 1.00 0.57 C ATOM 662 C HIS A 45 -2.289 0.681 -4.565 1.00 0.55 C ATOM 663 O HIS A 45 -1.247 0.187 -5.001 1.00 0.64 O ATOM 664 CB HIS A 45 -2.544 2.516 -6.277 1.00 0.72 C ATOM 665 CG HIS A 45 -3.863 2.219 -6.908 1.00 1.49 C ATOM 666 ND1 HIS A 45 -4.812 3.173 -7.168 1.00 2.84 N ATOM 667 CD2 HIS A 45 -4.492 1.005 -6.856 1.00 1.83 C ATOM 668 CE1 HIS A 45 -5.986 2.541 -7.266 1.00 3.97 C ATOM 669 NE2 HIS A 45 -5.850 1.214 -7.099 1.00 3.39 N ATOM 0 H HIS A 45 -0.716 3.082 -4.842 1.00 0.57 H new ATOM 0 HA HIS A 45 -3.528 2.438 -4.382 1.00 0.57 H new ATOM 0 HB2 HIS A 45 -2.307 3.573 -6.401 1.00 0.72 H new ATOM 0 HB3 HIS A 45 -1.760 1.952 -6.783 1.00 0.72 H new ATOM 0 HD1 HIS A 45 -4.653 4.176 -7.268 1.00 2.84 H new ATOM 0 HD2 HIS A 45 -4.021 0.053 -6.661 1.00 1.83 H new ATOM 0 HE1 HIS A 45 -6.927 3.035 -7.456 1.00 3.97 H new ATOM 677 N ILE A 46 -3.196 -0.009 -3.873 1.00 0.57 N ATOM 678 CA ILE A 46 -3.133 -1.449 -3.690 1.00 0.58 C ATOM 679 C ILE A 46 -4.331 -2.023 -4.438 1.00 0.61 C ATOM 680 O ILE A 46 -5.477 -1.733 -4.091 1.00 0.80 O ATOM 681 CB ILE A 46 -3.162 -1.827 -2.196 1.00 0.65 C ATOM 682 CG1 ILE A 46 -1.877 -1.458 -1.440 1.00 0.74 C ATOM 683 CG2 ILE A 46 -3.267 -3.346 -1.996 1.00 0.77 C ATOM 684 CD1 ILE A 46 -1.592 0.028 -1.297 1.00 1.27 C ATOM 0 H ILE A 46 -4.001 0.426 -3.422 1.00 0.57 H new ATOM 0 HA ILE A 46 -2.199 -1.856 -4.078 1.00 0.58 H new ATOM 0 HB ILE A 46 -4.023 -1.276 -1.817 1.00 0.65 H new ATOM 0 HG12 ILE A 46 -1.927 -1.896 -0.443 1.00 0.74 H new ATOM 0 HG13 ILE A 46 -1.033 -1.922 -1.950 1.00 0.74 H new ATOM 0 HG21 ILE A 46 -3.285 -3.572 -0.930 1.00 0.77 H new ATOM 0 HG22 ILE A 46 -4.183 -3.712 -2.460 1.00 0.77 H new ATOM 0 HG23 ILE A 46 -2.408 -3.834 -2.456 1.00 0.77 H new ATOM 0 HD11 ILE A 46 -0.661 0.169 -0.747 1.00 1.27 H new ATOM 0 HD12 ILE A 46 -1.501 0.478 -2.286 1.00 1.27 H new ATOM 0 HD13 ILE A 46 -2.409 0.505 -0.755 1.00 1.27 H new ATOM 696 N LYS A 47 -4.070 -2.854 -5.448 1.00 0.60 N ATOM 697 CA LYS A 47 -5.090 -3.632 -6.107 1.00 0.64 C ATOM 698 C LYS A 47 -4.942 -5.054 -5.589 1.00 0.54 C ATOM 699 O LYS A 47 -4.059 -5.770 -6.049 1.00 0.73 O ATOM 700 CB LYS A 47 -4.891 -3.562 -7.622 1.00 0.81 C ATOM 701 CG LYS A 47 -4.775 -2.111 -8.111 1.00 0.92 C ATOM 702 CD LYS A 47 -4.873 -2.051 -9.642 1.00 0.99 C ATOM 703 CE LYS A 47 -6.308 -1.859 -10.162 1.00 1.98 C ATOM 704 NZ LYS A 47 -7.218 -2.937 -9.732 1.00 3.21 N ATOM 0 H LYS A 47 -3.134 -2.999 -5.826 1.00 0.60 H new ATOM 0 HA LYS A 47 -6.092 -3.257 -5.900 1.00 0.64 H new ATOM 0 HB2 LYS A 47 -3.991 -4.112 -7.897 1.00 0.81 H new ATOM 0 HB3 LYS A 47 -5.728 -4.049 -8.122 1.00 0.81 H new ATOM 0 HG2 LYS A 47 -5.565 -1.507 -7.666 1.00 0.92 H new ATOM 0 HG3 LYS A 47 -3.826 -1.685 -7.784 1.00 0.92 H new ATOM 0 HD2 LYS A 47 -4.252 -1.232 -10.005 1.00 0.99 H new ATOM 0 HD3 LYS A 47 -4.464 -2.971 -10.060 1.00 0.99 H new ATOM 0 HE2 LYS A 47 -6.693 -0.902 -9.810 1.00 1.98 H new ATOM 0 HE3 LYS A 47 -6.293 -1.815 -11.251 1.00 1.98 H new ATOM 0 HZ1 LYS A 47 -8.041 -2.970 -10.367 1.00 3.21 H new ATOM 0 HZ2 LYS A 47 -6.718 -3.848 -9.766 1.00 3.21 H new ATOM 0 HZ3 LYS A 47 -7.538 -2.754 -8.760 1.00 3.21 H new ATOM 718 N TYR A 48 -5.749 -5.434 -4.600 1.00 0.68 N ATOM 719 CA TYR A 48 -5.744 -6.746 -3.971 1.00 0.66 C ATOM 720 C TYR A 48 -7.021 -7.520 -4.290 1.00 0.69 C ATOM 721 O TYR A 48 -7.958 -6.943 -4.839 1.00 0.92 O ATOM 722 CB TYR A 48 -5.532 -6.587 -2.459 1.00 0.77 C ATOM 723 CG TYR A 48 -6.602 -5.808 -1.706 1.00 0.84 C ATOM 724 CD1 TYR A 48 -6.569 -4.401 -1.660 1.00 1.76 C ATOM 725 CD2 TYR A 48 -7.521 -6.495 -0.892 1.00 2.13 C ATOM 726 CE1 TYR A 48 -7.319 -3.706 -0.697 1.00 1.90 C ATOM 727 CE2 TYR A 48 -8.308 -5.797 0.039 1.00 2.24 C ATOM 728 CZ TYR A 48 -8.165 -4.410 0.177 1.00 1.31 C ATOM 729 OH TYR A 48 -8.834 -3.756 1.169 1.00 1.70 O ATOM 0 H TYR A 48 -6.450 -4.809 -4.202 1.00 0.68 H new ATOM 0 HA TYR A 48 -4.919 -7.332 -4.375 1.00 0.66 H new ATOM 0 HB2 TYR A 48 -5.458 -7.581 -2.018 1.00 0.77 H new ATOM 0 HB3 TYR A 48 -4.573 -6.094 -2.298 1.00 0.77 H new ATOM 0 HD1 TYR A 48 -5.964 -3.854 -2.368 1.00 1.76 H new ATOM 0 HD2 TYR A 48 -7.622 -7.566 -0.983 1.00 2.13 H new ATOM 0 HE1 TYR A 48 -7.246 -2.631 -0.628 1.00 1.90 H new ATOM 0 HE2 TYR A 48 -9.023 -6.329 0.648 1.00 2.24 H new ATOM 0 HH TYR A 48 -9.374 -4.397 1.677 1.00 1.70 H new ATOM 739 N ASP A 49 -7.061 -8.812 -3.950 1.00 0.59 N ATOM 740 CA ASP A 49 -8.279 -9.611 -4.010 1.00 0.65 C ATOM 741 C ASP A 49 -9.172 -9.258 -2.810 1.00 0.58 C ATOM 742 O ASP A 49 -8.782 -9.492 -1.668 1.00 0.58 O ATOM 743 CB ASP A 49 -7.938 -11.112 -4.047 1.00 0.78 C ATOM 744 CG ASP A 49 -7.485 -11.675 -2.702 1.00 2.91 C ATOM 745 OD1 ASP A 49 -6.292 -11.486 -2.385 1.00 3.80 O ATOM 746 OD2 ASP A 49 -8.336 -12.281 -2.010 1.00 4.47 O ATOM 0 H ASP A 49 -6.245 -9.330 -3.625 1.00 0.59 H new ATOM 0 HA ASP A 49 -8.825 -9.385 -4.926 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -8.814 -11.666 -4.386 1.00 0.78 H new ATOM 0 HB3 ASP A 49 -7.152 -11.278 -4.783 1.00 0.78 H new ATOM 751 N PRO A 50 -10.367 -8.678 -2.992 1.00 0.74 N ATOM 752 CA PRO A 50 -11.233 -8.370 -1.866 1.00 0.90 C ATOM 753 C PRO A 50 -11.970 -9.629 -1.371 1.00 1.00 C ATOM 754 O PRO A 50 -13.184 -9.580 -1.167 1.00 1.43 O ATOM 755 CB PRO A 50 -12.163 -7.270 -2.394 1.00 1.12 C ATOM 756 CG PRO A 50 -12.320 -7.641 -3.869 1.00 1.11 C ATOM 757 CD PRO A 50 -10.939 -8.188 -4.236 1.00 0.91 C ATOM 0 HA PRO A 50 -10.693 -8.025 -0.984 1.00 0.90 H new ATOM 0 HB2 PRO A 50 -13.121 -7.265 -1.874 1.00 1.12 H new ATOM 0 HB3 PRO A 50 -11.728 -6.278 -2.270 1.00 1.12 H new ATOM 0 HG2 PRO A 50 -13.101 -8.386 -4.017 1.00 1.11 H new ATOM 0 HG3 PRO A 50 -12.586 -6.776 -4.477 1.00 1.11 H new ATOM 0 HD2 PRO A 50 -11.018 -8.988 -4.973 1.00 0.91 H new ATOM 0 HD3 PRO A 50 -10.314 -7.410 -4.675 1.00 0.91 H new ATOM 765 N GLU A 51 -11.250 -10.740 -1.143 1.00 0.94 N ATOM 766 CA GLU A 51 -11.761 -11.936 -0.489 1.00 1.04 C ATOM 767 C GLU A 51 -10.838 -12.338 0.667 1.00 0.90 C ATOM 768 O GLU A 51 -11.280 -12.371 1.814 1.00 1.38 O ATOM 769 CB GLU A 51 -11.969 -13.108 -1.471 1.00 1.34 C ATOM 770 CG GLU A 51 -11.593 -12.837 -2.934 1.00 1.88 C ATOM 771 CD GLU A 51 -12.630 -12.018 -3.679 1.00 2.74 C ATOM 772 OE1 GLU A 51 -13.825 -12.396 -3.685 1.00 3.70 O ATOM 773 OE2 GLU A 51 -12.249 -10.998 -4.295 1.00 3.81 O ATOM 0 H GLU A 51 -10.272 -10.824 -1.419 1.00 0.94 H new ATOM 0 HA GLU A 51 -12.746 -11.695 -0.090 1.00 1.04 H new ATOM 0 HB2 GLU A 51 -11.386 -13.959 -1.119 1.00 1.34 H new ATOM 0 HB3 GLU A 51 -13.017 -13.404 -1.435 1.00 1.34 H new ATOM 0 HG2 GLU A 51 -10.637 -12.315 -2.965 1.00 1.88 H new ATOM 0 HG3 GLU A 51 -11.454 -13.788 -3.448 1.00 1.88 H new ATOM 780 N ILE A 52 -9.577 -12.698 0.387 1.00 0.78 N ATOM 781 CA ILE A 52 -8.734 -13.320 1.407 1.00 0.86 C ATOM 782 C ILE A 52 -8.214 -12.318 2.431 1.00 0.84 C ATOM 783 O ILE A 52 -7.978 -12.678 3.583 1.00 1.16 O ATOM 784 CB ILE A 52 -7.597 -14.160 0.798 1.00 1.05 C ATOM 785 CG1 ILE A 52 -6.430 -13.359 0.192 1.00 1.16 C ATOM 786 CG2 ILE A 52 -8.143 -15.192 -0.198 1.00 1.80 C ATOM 787 CD1 ILE A 52 -5.183 -13.428 1.083 1.00 1.94 C ATOM 0 H ILE A 52 -9.129 -12.571 -0.520 1.00 0.78 H new ATOM 0 HA ILE A 52 -9.381 -14.010 1.949 1.00 0.86 H new ATOM 0 HB ILE A 52 -7.154 -14.678 1.649 1.00 1.05 H new ATOM 0 HG12 ILE A 52 -6.194 -13.749 -0.798 1.00 1.16 H new ATOM 0 HG13 ILE A 52 -6.729 -12.319 0.062 1.00 1.16 H new ATOM 0 HG21 ILE A 52 -7.317 -15.770 -0.612 1.00 1.80 H new ATOM 0 HG22 ILE A 52 -8.834 -15.861 0.314 1.00 1.80 H new ATOM 0 HG23 ILE A 52 -8.666 -14.678 -1.004 1.00 1.80 H new ATOM 0 HD11 ILE A 52 -4.378 -12.852 0.627 1.00 1.94 H new ATOM 0 HD12 ILE A 52 -5.414 -13.014 2.065 1.00 1.94 H new ATOM 0 HD13 ILE A 52 -4.870 -14.467 1.191 1.00 1.94 H new ATOM 799 N ILE A 53 -7.984 -11.086 1.988 1.00 0.71 N ATOM 800 CA ILE A 53 -7.266 -10.061 2.731 1.00 0.78 C ATOM 801 C ILE A 53 -8.077 -8.767 2.793 1.00 0.71 C ATOM 802 O ILE A 53 -8.960 -8.560 1.962 1.00 0.83 O ATOM 803 CB ILE A 53 -5.894 -9.889 2.065 1.00 0.85 C ATOM 804 CG1 ILE A 53 -4.933 -9.208 3.031 1.00 1.18 C ATOM 805 CG2 ILE A 53 -5.957 -9.156 0.721 1.00 0.81 C ATOM 806 CD1 ILE A 53 -3.490 -9.367 2.578 1.00 1.05 C ATOM 0 H ILE A 53 -8.303 -10.765 1.074 1.00 0.71 H new ATOM 0 HA ILE A 53 -7.117 -10.354 3.770 1.00 0.78 H new ATOM 0 HB ILE A 53 -5.521 -10.886 1.831 1.00 0.85 H new ATOM 0 HG12 ILE A 53 -5.179 -8.149 3.105 1.00 1.18 H new ATOM 0 HG13 ILE A 53 -5.053 -9.634 4.027 1.00 1.18 H new ATOM 0 HG21 ILE A 53 -4.953 -9.069 0.306 1.00 0.81 H new ATOM 0 HG22 ILE A 53 -6.588 -9.716 0.030 1.00 0.81 H new ATOM 0 HG23 ILE A 53 -6.376 -8.160 0.869 1.00 0.81 H new ATOM 0 HD11 ILE A 53 -2.829 -8.870 3.288 1.00 1.05 H new ATOM 0 HD12 ILE A 53 -3.239 -10.427 2.528 1.00 1.05 H new ATOM 0 HD13 ILE A 53 -3.367 -8.918 1.592 1.00 1.05 H new ATOM 818 N GLY A 54 -7.802 -7.908 3.781 1.00 0.63 N ATOM 819 CA GLY A 54 -8.536 -6.671 3.993 1.00 0.64 C ATOM 820 C GLY A 54 -7.600 -5.462 4.018 1.00 0.55 C ATOM 821 O GLY A 54 -6.397 -5.584 3.783 1.00 0.57 O ATOM 0 H GLY A 54 -7.055 -8.060 4.459 1.00 0.63 H new ATOM 0 HA2 GLY A 54 -9.275 -6.545 3.201 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -9.084 -6.728 4.934 1.00 0.64 H new ATOM 825 N PRO A 55 -8.142 -4.273 4.333 1.00 0.63 N ATOM 826 CA PRO A 55 -7.349 -3.072 4.521 1.00 0.62 C ATOM 827 C PRO A 55 -6.374 -3.255 5.689 1.00 0.67 C ATOM 828 O PRO A 55 -5.231 -2.811 5.620 1.00 0.66 O ATOM 829 CB PRO A 55 -8.357 -1.945 4.766 1.00 0.78 C ATOM 830 CG PRO A 55 -9.593 -2.663 5.308 1.00 0.93 C ATOM 831 CD PRO A 55 -9.550 -4.014 4.594 1.00 0.83 C ATOM 0 HA PRO A 55 -6.728 -2.841 3.655 1.00 0.62 H new ATOM 0 HB2 PRO A 55 -7.974 -1.216 5.480 1.00 0.78 H new ATOM 0 HB3 PRO A 55 -8.581 -1.404 3.847 1.00 0.78 H new ATOM 0 HG2 PRO A 55 -9.550 -2.778 6.391 1.00 0.93 H new ATOM 0 HG3 PRO A 55 -10.508 -2.116 5.082 1.00 0.93 H new ATOM 0 HD2 PRO A 55 -9.985 -4.799 5.213 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -10.122 -3.986 3.667 1.00 0.83 H new ATOM 839 N ARG A 56 -6.830 -3.910 6.761 1.00 0.79 N ATOM 840 CA ARG A 56 -6.060 -4.105 7.980 1.00 0.87 C ATOM 841 C ARG A 56 -4.670 -4.682 7.700 1.00 0.82 C ATOM 842 O ARG A 56 -3.679 -4.187 8.232 1.00 0.81 O ATOM 843 CB ARG A 56 -6.848 -4.994 8.953 1.00 1.06 C ATOM 844 CG ARG A 56 -6.036 -5.200 10.237 1.00 2.78 C ATOM 845 CD ARG A 56 -6.838 -5.868 11.359 1.00 3.17 C ATOM 846 NE ARG A 56 -7.926 -5.009 11.850 1.00 3.44 N ATOM 847 CZ ARG A 56 -7.789 -3.985 12.709 1.00 4.56 C ATOM 848 NH1 ARG A 56 -6.583 -3.618 13.157 1.00 5.64 N ATOM 849 NH2 ARG A 56 -8.874 -3.321 13.122 1.00 5.49 N ATOM 0 H ARG A 56 -7.761 -4.324 6.800 1.00 0.79 H new ATOM 0 HA ARG A 56 -5.900 -3.130 8.439 1.00 0.87 H new ATOM 0 HB2 ARG A 56 -7.807 -4.532 9.188 1.00 1.06 H new ATOM 0 HB3 ARG A 56 -7.063 -5.956 8.489 1.00 1.06 H new ATOM 0 HG2 ARG A 56 -5.161 -5.810 10.012 1.00 2.78 H new ATOM 0 HG3 ARG A 56 -5.670 -4.235 10.586 1.00 2.78 H new ATOM 0 HD2 ARG A 56 -7.255 -6.808 10.996 1.00 3.17 H new ATOM 0 HD3 ARG A 56 -6.170 -6.113 12.185 1.00 3.17 H new ATOM 0 HE ARG A 56 -8.866 -5.208 11.509 1.00 3.44 H new ATOM 0 HH11 ARG A 56 -5.750 -4.118 12.847 1.00 5.64 H new ATOM 0 HH12 ARG A 56 -6.497 -2.838 13.809 1.00 5.64 H new ATOM 0 HH21 ARG A 56 -9.797 -3.593 12.785 1.00 5.49 H new ATOM 0 HH22 ARG A 56 -8.778 -2.543 13.774 1.00 5.49 H new ATOM 863 N ASP A 57 -4.592 -5.751 6.910 1.00 0.84 N ATOM 864 CA ASP A 57 -3.359 -6.500 6.703 1.00 0.84 C ATOM 865 C ASP A 57 -2.300 -5.606 6.054 1.00 0.80 C ATOM 866 O ASP A 57 -1.144 -5.540 6.488 1.00 0.87 O ATOM 867 CB ASP A 57 -3.667 -7.710 5.816 1.00 0.86 C ATOM 868 CG ASP A 57 -4.941 -8.428 6.240 1.00 1.28 C ATOM 869 OD1 ASP A 57 -6.020 -7.893 5.888 1.00 2.22 O ATOM 870 OD2 ASP A 57 -4.817 -9.474 6.907 1.00 2.13 O ATOM 0 H ASP A 57 -5.389 -6.122 6.393 1.00 0.84 H new ATOM 0 HA ASP A 57 -2.965 -6.842 7.660 1.00 0.84 H new ATOM 0 HB2 ASP A 57 -3.764 -7.383 4.781 1.00 0.86 H new ATOM 0 HB3 ASP A 57 -2.830 -8.407 5.853 1.00 0.86 H new ATOM 875 N ILE A 58 -2.726 -4.901 5.003 1.00 0.72 N ATOM 876 CA ILE A 58 -1.929 -3.892 4.325 1.00 0.64 C ATOM 877 C ILE A 58 -1.501 -2.852 5.354 1.00 0.58 C ATOM 878 O ILE A 58 -0.319 -2.549 5.489 1.00 0.57 O ATOM 879 CB ILE A 58 -2.762 -3.220 3.220 1.00 0.59 C ATOM 880 CG1 ILE A 58 -3.221 -4.229 2.157 1.00 0.49 C ATOM 881 CG2 ILE A 58 -1.972 -2.077 2.564 1.00 0.65 C ATOM 882 CD1 ILE A 58 -4.508 -3.726 1.505 1.00 1.42 C ATOM 0 H ILE A 58 -3.654 -5.023 4.596 1.00 0.72 H new ATOM 0 HA ILE A 58 -1.053 -4.352 3.867 1.00 0.64 H new ATOM 0 HB ILE A 58 -3.654 -2.808 3.692 1.00 0.59 H new ATOM 0 HG12 ILE A 58 -2.445 -4.359 1.403 1.00 0.49 H new ATOM 0 HG13 ILE A 58 -3.388 -5.205 2.613 1.00 0.49 H new ATOM 0 HG21 ILE A 58 -2.579 -1.615 1.785 1.00 0.65 H new ATOM 0 HG22 ILE A 58 -1.719 -1.331 3.317 1.00 0.65 H new ATOM 0 HG23 ILE A 58 -1.057 -2.473 2.124 1.00 0.65 H new ATOM 0 HD11 ILE A 58 -4.836 -4.440 0.750 1.00 1.42 H new ATOM 0 HD12 ILE A 58 -5.283 -3.619 2.264 1.00 1.42 H new ATOM 0 HD13 ILE A 58 -4.324 -2.760 1.035 1.00 1.42 H new ATOM 894 N ILE A 59 -2.475 -2.293 6.071 1.00 0.56 N ATOM 895 CA ILE A 59 -2.223 -1.218 7.005 1.00 0.51 C ATOM 896 C ILE A 59 -1.136 -1.627 7.997 1.00 0.52 C ATOM 897 O ILE A 59 -0.119 -0.949 8.107 1.00 0.50 O ATOM 898 CB ILE A 59 -3.542 -0.761 7.650 1.00 0.55 C ATOM 899 CG1 ILE A 59 -4.267 0.141 6.637 1.00 0.58 C ATOM 900 CG2 ILE A 59 -3.346 -0.058 9.001 1.00 0.53 C ATOM 901 CD1 ILE A 59 -5.743 0.305 6.978 1.00 0.60 C ATOM 0 H ILE A 59 -3.453 -2.577 6.015 1.00 0.56 H new ATOM 0 HA ILE A 59 -1.830 -0.343 6.487 1.00 0.51 H new ATOM 0 HB ILE A 59 -4.146 -1.638 7.883 1.00 0.55 H new ATOM 0 HG12 ILE A 59 -3.788 1.120 6.615 1.00 0.58 H new ATOM 0 HG13 ILE A 59 -4.170 -0.284 5.638 1.00 0.58 H new ATOM 0 HG21 ILE A 59 -4.316 0.238 9.401 1.00 0.53 H new ATOM 0 HG22 ILE A 59 -2.859 -0.739 9.698 1.00 0.53 H new ATOM 0 HG23 ILE A 59 -2.724 0.827 8.864 1.00 0.53 H new ATOM 0 HD11 ILE A 59 -6.218 0.949 6.238 1.00 0.60 H new ATOM 0 HD12 ILE A 59 -6.228 -0.671 6.974 1.00 0.60 H new ATOM 0 HD13 ILE A 59 -5.840 0.755 7.966 1.00 0.60 H new ATOM 913 N HIS A 60 -1.302 -2.772 8.656 1.00 0.60 N ATOM 914 CA HIS A 60 -0.356 -3.238 9.656 1.00 0.65 C ATOM 915 C HIS A 60 0.998 -3.525 9.021 1.00 0.64 C ATOM 916 O HIS A 60 2.036 -3.275 9.630 1.00 0.64 O ATOM 917 CB HIS A 60 -0.932 -4.433 10.421 1.00 0.75 C ATOM 918 CG HIS A 60 -2.099 -4.053 11.301 1.00 1.11 C ATOM 919 ND1 HIS A 60 -2.319 -2.817 11.868 1.00 2.51 N ATOM 920 CD2 HIS A 60 -3.103 -4.883 11.725 1.00 1.34 C ATOM 921 CE1 HIS A 60 -3.438 -2.901 12.602 1.00 2.73 C ATOM 922 NE2 HIS A 60 -3.965 -4.139 12.544 1.00 1.88 N ATOM 0 H HIS A 60 -2.094 -3.397 8.509 1.00 0.60 H new ATOM 0 HA HIS A 60 -0.189 -2.451 10.391 1.00 0.65 H new ATOM 0 HB2 HIS A 60 -1.251 -5.195 9.710 1.00 0.75 H new ATOM 0 HB3 HIS A 60 -0.149 -4.878 11.035 1.00 0.75 H new ATOM 0 HD1 HIS A 60 -1.736 -1.988 11.751 1.00 2.51 H new ATOM 0 HD2 HIS A 60 -3.212 -5.927 11.473 1.00 1.34 H new ATOM 0 HE1 HIS A 60 -3.861 -2.083 13.166 1.00 2.73 H new ATOM 930 N THR A 61 1.005 -4.003 7.776 1.00 0.67 N ATOM 931 CA THR A 61 2.250 -4.133 7.036 1.00 0.76 C ATOM 932 C THR A 61 2.953 -2.768 6.909 1.00 0.70 C ATOM 933 O THR A 61 4.121 -2.640 7.273 1.00 0.79 O ATOM 934 CB THR A 61 1.974 -4.827 5.695 1.00 0.87 C ATOM 935 OG1 THR A 61 1.558 -6.159 5.951 1.00 1.06 O ATOM 936 CG2 THR A 61 3.203 -4.835 4.780 1.00 1.06 C ATOM 0 H THR A 61 0.172 -4.302 7.269 1.00 0.67 H new ATOM 0 HA THR A 61 2.952 -4.767 7.578 1.00 0.76 H new ATOM 0 HB THR A 61 1.194 -4.269 5.177 1.00 0.87 H new ATOM 0 HG1 THR A 61 1.153 -6.536 5.142 1.00 1.06 H new ATOM 0 HG21 THR A 61 2.957 -5.337 3.844 1.00 1.06 H new ATOM 0 HG22 THR A 61 3.509 -3.810 4.572 1.00 1.06 H new ATOM 0 HG23 THR A 61 4.019 -5.364 5.272 1.00 1.06 H new ATOM 944 N ILE A 62 2.269 -1.738 6.409 1.00 0.61 N ATOM 945 CA ILE A 62 2.895 -0.432 6.205 1.00 0.61 C ATOM 946 C ILE A 62 3.291 0.219 7.544 1.00 0.57 C ATOM 947 O ILE A 62 4.376 0.792 7.661 1.00 0.64 O ATOM 948 CB ILE A 62 2.000 0.463 5.330 1.00 0.58 C ATOM 949 CG1 ILE A 62 1.635 -0.166 3.969 1.00 0.59 C ATOM 950 CG2 ILE A 62 2.668 1.821 5.101 1.00 0.60 C ATOM 951 CD1 ILE A 62 2.832 -0.593 3.113 1.00 1.99 C ATOM 0 H ILE A 62 1.286 -1.783 6.139 1.00 0.61 H new ATOM 0 HA ILE A 62 3.828 -0.570 5.659 1.00 0.61 H new ATOM 0 HB ILE A 62 1.068 0.585 5.882 1.00 0.58 H new ATOM 0 HG12 ILE A 62 1.004 -1.037 4.146 1.00 0.59 H new ATOM 0 HG13 ILE A 62 1.039 0.550 3.403 1.00 0.59 H new ATOM 0 HG21 ILE A 62 2.023 2.444 4.480 1.00 0.60 H new ATOM 0 HG22 ILE A 62 2.832 2.312 6.060 1.00 0.60 H new ATOM 0 HG23 ILE A 62 3.625 1.676 4.599 1.00 0.60 H new ATOM 0 HD11 ILE A 62 2.475 -1.023 2.177 1.00 1.99 H new ATOM 0 HD12 ILE A 62 3.455 0.276 2.899 1.00 1.99 H new ATOM 0 HD13 ILE A 62 3.419 -1.336 3.653 1.00 1.99 H new ATOM 963 N GLU A 63 2.446 0.093 8.570 1.00 0.48 N ATOM 964 CA GLU A 63 2.786 0.497 9.930 1.00 0.47 C ATOM 965 C GLU A 63 4.073 -0.206 10.373 1.00 0.48 C ATOM 966 O GLU A 63 4.974 0.436 10.904 1.00 0.54 O ATOM 967 CB GLU A 63 1.623 0.177 10.878 1.00 0.51 C ATOM 968 CG GLU A 63 0.395 1.059 10.598 1.00 1.10 C ATOM 969 CD GLU A 63 -0.852 0.615 11.357 1.00 1.78 C ATOM 970 OE1 GLU A 63 -0.874 -0.546 11.825 1.00 2.57 O ATOM 971 OE2 GLU A 63 -1.788 1.436 11.434 1.00 2.75 O ATOM 0 H GLU A 63 1.506 -0.293 8.478 1.00 0.48 H new ATOM 0 HA GLU A 63 2.958 1.573 9.959 1.00 0.47 H new ATOM 0 HB2 GLU A 63 1.348 -0.872 10.773 1.00 0.51 H new ATOM 0 HB3 GLU A 63 1.945 0.321 11.909 1.00 0.51 H new ATOM 0 HG2 GLU A 63 0.628 2.090 10.866 1.00 1.10 H new ATOM 0 HG3 GLU A 63 0.184 1.048 9.529 1.00 1.10 H new ATOM 978 N SER A 64 4.177 -1.517 10.130 1.00 0.52 N ATOM 979 CA SER A 64 5.374 -2.286 10.444 1.00 0.57 C ATOM 980 C SER A 64 6.599 -1.738 9.699 1.00 0.64 C ATOM 981 O SER A 64 7.666 -1.615 10.297 1.00 0.81 O ATOM 982 CB SER A 64 5.136 -3.780 10.176 1.00 0.63 C ATOM 983 OG SER A 64 6.213 -4.566 10.648 1.00 2.01 O ATOM 0 H SER A 64 3.430 -2.070 9.710 1.00 0.52 H new ATOM 0 HA SER A 64 5.591 -2.180 11.507 1.00 0.57 H new ATOM 0 HB2 SER A 64 4.213 -4.096 10.662 1.00 0.63 H new ATOM 0 HB3 SER A 64 5.006 -3.943 9.106 1.00 0.63 H new ATOM 0 HG SER A 64 6.033 -5.512 10.465 1.00 2.01 H new ATOM 989 N LEU A 65 6.466 -1.385 8.411 1.00 0.63 N ATOM 990 CA LEU A 65 7.552 -0.704 7.701 1.00 0.72 C ATOM 991 C LEU A 65 7.927 0.605 8.401 1.00 0.73 C ATOM 992 O LEU A 65 9.109 0.914 8.534 1.00 1.03 O ATOM 993 CB LEU A 65 7.194 -0.396 6.241 1.00 0.85 C ATOM 994 CG LEU A 65 6.911 -1.618 5.360 1.00 0.97 C ATOM 995 CD1 LEU A 65 6.591 -1.112 3.950 1.00 1.30 C ATOM 996 CD2 LEU A 65 8.103 -2.581 5.312 1.00 1.18 C ATOM 0 H LEU A 65 5.631 -1.557 7.851 1.00 0.63 H new ATOM 0 HA LEU A 65 8.399 -1.390 7.712 1.00 0.72 H new ATOM 0 HB2 LEU A 65 6.316 0.250 6.229 1.00 0.85 H new ATOM 0 HB3 LEU A 65 8.013 0.170 5.796 1.00 0.85 H new ATOM 0 HG LEU A 65 6.073 -2.174 5.780 1.00 0.97 H new ATOM 0 HD11 LEU A 65 6.384 -1.960 3.297 1.00 1.30 H new ATOM 0 HD12 LEU A 65 5.717 -0.461 3.987 1.00 1.30 H new ATOM 0 HD13 LEU A 65 7.443 -0.554 3.561 1.00 1.30 H new ATOM 0 HD21 LEU A 65 7.858 -3.432 4.677 1.00 1.18 H new ATOM 0 HD22 LEU A 65 8.972 -2.064 4.906 1.00 1.18 H new ATOM 0 HD23 LEU A 65 8.327 -2.933 6.319 1.00 1.18 H new ATOM 1008 N GLY A 66 6.919 1.370 8.820 1.00 0.61 N ATOM 1009 CA GLY A 66 7.091 2.612 9.562 1.00 0.62 C ATOM 1010 C GLY A 66 6.669 3.819 8.733 1.00 0.60 C ATOM 1011 O GLY A 66 7.337 4.850 8.755 1.00 0.72 O ATOM 0 H GLY A 66 5.941 1.136 8.648 1.00 0.61 H new ATOM 0 HA2 GLY A 66 6.502 2.574 10.478 1.00 0.62 H new ATOM 0 HA3 GLY A 66 8.135 2.719 9.858 1.00 0.62 H new ATOM 1015 N PHE A 67 5.535 3.706 8.036 1.00 0.51 N ATOM 1016 CA PHE A 67 4.840 4.828 7.419 1.00 0.48 C ATOM 1017 C PHE A 67 3.380 4.692 7.846 1.00 0.43 C ATOM 1018 O PHE A 67 2.973 3.588 8.202 1.00 0.50 O ATOM 1019 CB PHE A 67 4.990 4.772 5.892 1.00 0.54 C ATOM 1020 CG PHE A 67 6.381 4.421 5.389 1.00 0.54 C ATOM 1021 CD1 PHE A 67 7.448 5.316 5.580 1.00 2.01 C ATOM 1022 CD2 PHE A 67 6.621 3.179 4.769 1.00 1.50 C ATOM 1023 CE1 PHE A 67 8.729 5.006 5.090 1.00 2.01 C ATOM 1024 CE2 PHE A 67 7.898 2.873 4.267 1.00 1.52 C ATOM 1025 CZ PHE A 67 8.950 3.791 4.421 1.00 0.61 C ATOM 0 H PHE A 67 5.069 2.812 7.885 1.00 0.51 H new ATOM 0 HA PHE A 67 5.249 5.789 7.732 1.00 0.48 H new ATOM 0 HB2 PHE A 67 4.284 4.039 5.501 1.00 0.54 H new ATOM 0 HB3 PHE A 67 4.706 5.740 5.480 1.00 0.54 H new ATOM 0 HD1 PHE A 67 7.283 6.245 6.105 1.00 2.01 H new ATOM 0 HD2 PHE A 67 5.821 2.459 4.679 1.00 1.50 H new ATOM 0 HE1 PHE A 67 9.543 5.702 5.228 1.00 2.01 H new ATOM 0 HE2 PHE A 67 8.070 1.933 3.764 1.00 1.52 H new ATOM 0 HZ PHE A 67 9.929 3.563 4.025 1.00 0.61 H new ATOM 1035 N GLU A 68 2.590 5.769 7.831 1.00 0.44 N ATOM 1036 CA GLU A 68 1.216 5.725 8.309 1.00 0.47 C ATOM 1037 C GLU A 68 0.251 5.662 7.115 1.00 0.44 C ATOM 1038 O GLU A 68 0.102 6.664 6.419 1.00 0.52 O ATOM 1039 CB GLU A 68 0.957 6.969 9.152 1.00 0.72 C ATOM 1040 CG GLU A 68 1.680 6.923 10.503 1.00 1.21 C ATOM 1041 CD GLU A 68 1.499 8.251 11.209 1.00 1.87 C ATOM 1042 OE1 GLU A 68 0.409 8.489 11.769 1.00 2.61 O ATOM 1043 OE2 GLU A 68 2.365 9.127 11.014 1.00 2.58 O ATOM 0 H GLU A 68 2.885 6.684 7.490 1.00 0.44 H new ATOM 0 HA GLU A 68 1.055 4.836 8.919 1.00 0.47 H new ATOM 0 HB2 GLU A 68 1.280 7.852 8.600 1.00 0.72 H new ATOM 0 HB3 GLU A 68 -0.115 7.073 9.320 1.00 0.72 H new ATOM 0 HG2 GLU A 68 1.281 6.114 11.115 1.00 1.21 H new ATOM 0 HG3 GLU A 68 2.740 6.717 10.355 1.00 1.21 H new ATOM 1050 N PRO A 69 -0.401 4.517 6.853 1.00 0.42 N ATOM 1051 CA PRO A 69 -1.277 4.321 5.706 1.00 0.43 C ATOM 1052 C PRO A 69 -2.672 4.893 5.979 1.00 0.53 C ATOM 1053 O PRO A 69 -3.601 4.171 6.337 1.00 0.90 O ATOM 1054 CB PRO A 69 -1.300 2.806 5.490 1.00 0.42 C ATOM 1055 CG PRO A 69 -1.188 2.283 6.917 1.00 0.42 C ATOM 1056 CD PRO A 69 -0.267 3.280 7.601 1.00 0.44 C ATOM 0 HA PRO A 69 -0.927 4.842 4.815 1.00 0.43 H new ATOM 0 HB2 PRO A 69 -2.219 2.477 5.005 1.00 0.42 H new ATOM 0 HB3 PRO A 69 -0.472 2.470 4.866 1.00 0.42 H new ATOM 0 HG2 PRO A 69 -2.162 2.240 7.404 1.00 0.42 H new ATOM 0 HG3 PRO A 69 -0.774 1.275 6.942 1.00 0.42 H new ATOM 0 HD2 PRO A 69 -0.549 3.421 8.644 1.00 0.44 H new ATOM 0 HD3 PRO A 69 0.765 2.928 7.594 1.00 0.44 H new ATOM 1064 N SER A 70 -2.839 6.198 5.775 1.00 0.67 N ATOM 1065 CA SER A 70 -4.107 6.860 6.032 1.00 0.77 C ATOM 1066 C SER A 70 -5.063 6.583 4.870 1.00 0.75 C ATOM 1067 O SER A 70 -4.849 7.051 3.750 1.00 0.70 O ATOM 1068 CB SER A 70 -3.877 8.359 6.219 1.00 0.86 C ATOM 1069 OG SER A 70 -5.054 8.995 6.679 1.00 2.11 O ATOM 0 H SER A 70 -2.105 6.817 5.431 1.00 0.67 H new ATOM 0 HA SER A 70 -4.555 6.473 6.947 1.00 0.77 H new ATOM 0 HB2 SER A 70 -3.068 8.521 6.932 1.00 0.86 H new ATOM 0 HB3 SER A 70 -3.563 8.804 5.275 1.00 0.86 H new ATOM 0 HG SER A 70 -4.884 9.953 6.794 1.00 2.11 H new ATOM 1075 N LEU A 71 -6.126 5.821 5.125 1.00 0.90 N ATOM 1076 CA LEU A 71 -7.105 5.434 4.115 1.00 0.99 C ATOM 1077 C LEU A 71 -8.083 6.575 3.812 1.00 1.22 C ATOM 1078 O LEU A 71 -9.297 6.408 3.885 1.00 1.52 O ATOM 1079 CB LEU A 71 -7.817 4.136 4.539 1.00 1.20 C ATOM 1080 CG LEU A 71 -8.547 4.244 5.894 1.00 1.76 C ATOM 1081 CD1 LEU A 71 -9.964 3.668 5.782 1.00 1.87 C ATOM 1082 CD2 LEU A 71 -7.794 3.486 6.995 1.00 2.88 C ATOM 0 H LEU A 71 -6.332 5.451 6.053 1.00 0.90 H new ATOM 0 HA LEU A 71 -6.584 5.231 3.180 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -8.537 3.859 3.769 1.00 1.20 H new ATOM 0 HB3 LEU A 71 -7.084 3.331 4.594 1.00 1.20 H new ATOM 0 HG LEU A 71 -8.592 5.301 6.157 1.00 1.76 H new ATOM 0 HD11 LEU A 71 -10.468 3.751 6.745 1.00 1.87 H new ATOM 0 HD12 LEU A 71 -10.525 4.224 5.031 1.00 1.87 H new ATOM 0 HD13 LEU A 71 -9.908 2.619 5.490 1.00 1.87 H new ATOM 0 HD21 LEU A 71 -8.334 3.581 7.937 1.00 2.88 H new ATOM 0 HD22 LEU A 71 -7.719 2.433 6.725 1.00 2.88 H new ATOM 0 HD23 LEU A 71 -6.794 3.905 7.106 1.00 2.88 H new ATOM 1094 N VAL A 72 -7.542 7.723 3.398 1.00 1.58 N ATOM 1095 CA VAL A 72 -8.319 8.865 2.933 1.00 1.73 C ATOM 1096 C VAL A 72 -8.579 8.759 1.427 1.00 1.40 C ATOM 1097 O VAL A 72 -9.547 9.333 0.935 1.00 1.83 O ATOM 1098 CB VAL A 72 -7.632 10.175 3.354 1.00 2.58 C ATOM 1099 CG1 VAL A 72 -6.224 10.347 2.772 1.00 3.02 C ATOM 1100 CG2 VAL A 72 -8.480 11.404 3.001 1.00 3.24 C ATOM 0 H VAL A 72 -6.535 7.884 3.378 1.00 1.58 H new ATOM 0 HA VAL A 72 -9.301 8.866 3.406 1.00 1.73 H new ATOM 0 HB VAL A 72 -7.533 10.100 4.437 1.00 2.58 H new ATOM 0 HG11 VAL A 72 -5.803 11.293 3.112 1.00 3.02 H new ATOM 0 HG12 VAL A 72 -5.589 9.526 3.106 1.00 3.02 H new ATOM 0 HG13 VAL A 72 -6.277 10.344 1.683 1.00 3.02 H new ATOM 0 HG21 VAL A 72 -7.959 12.308 3.315 1.00 3.24 H new ATOM 0 HG22 VAL A 72 -8.644 11.436 1.924 1.00 3.24 H new ATOM 0 HG23 VAL A 72 -9.440 11.343 3.513 1.00 3.24 H new ATOM 1110 N LYS A 73 -7.751 7.983 0.713 1.00 1.66 N ATOM 1111 CA LYS A 73 -7.818 7.814 -0.731 1.00 2.08 C ATOM 1112 C LYS A 73 -7.515 9.138 -1.449 1.00 3.09 C ATOM 1113 O LYS A 73 -7.217 10.147 -0.813 1.00 4.26 O ATOM 1114 CB LYS A 73 -9.178 7.228 -1.164 1.00 2.04 C ATOM 1115 CG LYS A 73 -9.690 6.086 -0.264 1.00 3.32 C ATOM 1116 CD LYS A 73 -11.112 5.673 -0.666 1.00 3.68 C ATOM 1117 CE LYS A 73 -11.120 4.790 -1.926 1.00 4.29 C ATOM 1118 NZ LYS A 73 -12.282 5.059 -2.796 1.00 4.72 N ATOM 0 H LYS A 73 -6.999 7.445 1.143 1.00 1.66 H new ATOM 0 HA LYS A 73 -7.052 7.096 -1.024 1.00 2.08 H new ATOM 0 HB2 LYS A 73 -9.919 8.028 -1.174 1.00 2.04 H new ATOM 0 HB3 LYS A 73 -9.093 6.860 -2.186 1.00 2.04 H new ATOM 0 HG2 LYS A 73 -9.022 5.228 -0.341 1.00 3.32 H new ATOM 0 HG3 LYS A 73 -9.680 6.405 0.778 1.00 3.32 H new ATOM 0 HD2 LYS A 73 -11.580 5.134 0.158 1.00 3.68 H new ATOM 0 HD3 LYS A 73 -11.712 6.565 -0.844 1.00 3.68 H new ATOM 0 HE2 LYS A 73 -10.202 4.957 -2.489 1.00 4.29 H new ATOM 0 HE3 LYS A 73 -11.126 3.741 -1.631 1.00 4.29 H new ATOM 0 HZ1 LYS A 73 -12.173 4.541 -3.691 1.00 4.72 H new ATOM 0 HZ2 LYS A 73 -13.152 4.747 -2.319 1.00 4.72 H new ATOM 0 HZ3 LYS A 73 -12.341 6.079 -2.991 1.00 4.72 H new ATOM 1132 N ILE A 74 -7.602 9.127 -2.780 1.00 3.57 N ATOM 1133 CA ILE A 74 -7.695 10.328 -3.604 1.00 4.79 C ATOM 1134 C ILE A 74 -8.264 9.946 -4.972 1.00 5.37 C ATOM 1135 O ILE A 74 -9.167 10.626 -5.453 1.00 5.56 O ATOM 1136 CB ILE A 74 -6.366 11.113 -3.681 1.00 6.47 C ATOM 1137 CG1 ILE A 74 -6.486 12.398 -4.520 1.00 7.52 C ATOM 1138 CG2 ILE A 74 -5.223 10.274 -4.254 1.00 7.62 C ATOM 1139 CD1 ILE A 74 -7.483 13.405 -3.936 1.00 8.15 C ATOM 0 H ILE A 74 -7.610 8.264 -3.324 1.00 3.57 H new ATOM 0 HA ILE A 74 -8.382 11.031 -3.132 1.00 4.79 H new ATOM 0 HB ILE A 74 -6.140 11.376 -2.648 1.00 6.47 H new ATOM 0 HG12 ILE A 74 -5.506 12.868 -4.596 1.00 7.52 H new ATOM 0 HG13 ILE A 74 -6.793 12.137 -5.533 1.00 7.52 H new ATOM 0 HG21 ILE A 74 -4.313 10.873 -4.286 1.00 7.62 H new ATOM 0 HG22 ILE A 74 -5.061 9.401 -3.622 1.00 7.62 H new ATOM 0 HG23 ILE A 74 -5.480 9.950 -5.262 1.00 7.62 H new ATOM 0 HD11 ILE A 74 -7.522 14.289 -4.573 1.00 8.15 H new ATOM 0 HD12 ILE A 74 -8.472 12.950 -3.885 1.00 8.15 H new ATOM 0 HD13 ILE A 74 -7.164 13.693 -2.934 1.00 8.15 H new ATOM 1151 N GLU A 75 -7.778 8.834 -5.541 1.00 6.45 N ATOM 1152 CA GLU A 75 -8.255 8.278 -6.795 1.00 7.68 C ATOM 1153 C GLU A 75 -8.013 9.276 -7.929 1.00 8.60 C ATOM 1154 O GLU A 75 -8.949 9.500 -8.729 1.00 9.03 O ATOM 1155 CB GLU A 75 -9.692 7.744 -6.637 1.00 7.74 C ATOM 1156 CG GLU A 75 -9.671 6.538 -5.678 1.00 8.11 C ATOM 1157 CD GLU A 75 -11.029 6.192 -5.097 1.00 8.26 C ATOM 1158 OE1 GLU A 75 -11.572 7.011 -4.321 1.00 8.08 O ATOM 1159 OE2 GLU A 75 -11.467 5.028 -5.233 1.00 9.02 O ATOM 1160 OXT GLU A 75 -6.859 9.768 -7.987 1.00 9.17 O ATOM 0 H GLU A 75 -7.023 8.290 -5.124 1.00 6.45 H new ATOM 0 HA GLU A 75 -7.684 7.395 -7.083 1.00 7.68 H new ATOM 0 HB2 GLU A 75 -10.344 8.525 -6.247 1.00 7.74 H new ATOM 0 HB3 GLU A 75 -10.094 7.448 -7.606 1.00 7.74 H new ATOM 0 HG2 GLU A 75 -9.282 5.670 -6.210 1.00 8.11 H new ATOM 0 HG3 GLU A 75 -8.980 6.747 -4.862 1.00 8.11 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.241 7.047 1.560 1.00 0.77 CU