USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 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 -120:sc= 1.15 USER MOD Set 1.2: A 36 SER OG : rot 71:sc= 2.56 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 179:sc= 0.729 (180deg=-0.0193) USER MOD Set 2.2: A 29 HIS : no HD1:sc= -0.498 K(o=2.5,f=-5.3!) USER MOD Set 2.3: A 61 THR OG1 : rot 81:sc= 2.26 USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0.465 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 170:sc= 0.864! (180deg=-0.784!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 2.32 (180deg=2.08) USER MOD Single : A 13 MET CE :methyl -175:sc= -0.841 (180deg=-0.914) USER MOD Single : A 14 THR OG1 : rot -39:sc= 0.864 USER MOD Single : A 20 HIS : no HD1:sc= -0.993 X(o=-0.99,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -120:sc= 0 USER MOD Single : A 27 THR OG1 : rot 76:sc= 1.18 USER MOD Single : A 35 CYS SG : rot 170:sc= -0.257 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.02 K(o=1,f=-0.0017) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 1.17 (180deg=-0.341!) USER MOD Single : A 45 HIS : no HE2:sc= 0.678 K(o=0.68,f=-7.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.32) USER MOD Single : A 64 SER OG : rot 91:sc= 1.23 USER MOD Single : A 70 SER OG : rot -80:sc= -0.187 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.684 -10.432 -11.489 1.00 5.70 N ATOM 2 CA MET A 1 -12.780 -11.401 -11.319 1.00 4.54 C ATOM 3 C MET A 1 -13.114 -11.459 -9.830 1.00 3.24 C ATOM 4 O MET A 1 -14.011 -10.759 -9.374 1.00 3.21 O ATOM 5 CB MET A 1 -12.413 -12.765 -11.931 1.00 5.72 C ATOM 6 CG MET A 1 -13.528 -13.807 -11.768 1.00 6.07 C ATOM 7 SD MET A 1 -15.120 -13.345 -12.499 1.00 6.37 S ATOM 8 CE MET A 1 -16.111 -14.783 -12.040 1.00 7.05 C ATOM 0 H1 MET A 1 -11.317 -10.490 -12.460 1.00 5.70 H new ATOM 0 H2 MET A 1 -12.039 -9.471 -11.310 1.00 5.70 H new ATOM 0 H3 MET A 1 -10.921 -10.650 -10.817 1.00 5.70 H new ATOM 0 HA MET A 1 -13.674 -11.090 -11.860 1.00 4.54 H new ATOM 0 HB2 MET A 1 -12.194 -12.636 -12.991 1.00 5.72 H new ATOM 0 HB3 MET A 1 -11.503 -13.137 -11.461 1.00 5.72 H new ATOM 0 HG2 MET A 1 -13.198 -14.744 -12.216 1.00 6.07 H new ATOM 0 HG3 MET A 1 -13.675 -13.997 -10.705 1.00 6.07 H new ATOM 0 HE1 MET A 1 -17.127 -14.660 -12.416 1.00 7.05 H new ATOM 0 HE2 MET A 1 -15.671 -15.681 -12.473 1.00 7.05 H new ATOM 0 HE3 MET A 1 -16.135 -14.877 -10.954 1.00 7.05 H new ATOM 20 N GLY A 2 -12.294 -12.179 -9.061 1.00 3.43 N ATOM 21 CA GLY A 2 -11.799 -11.585 -7.832 1.00 3.40 C ATOM 22 C GLY A 2 -10.864 -10.459 -8.277 1.00 2.77 C ATOM 23 O GLY A 2 -10.167 -10.632 -9.284 1.00 3.52 O ATOM 0 H GLY A 2 -11.975 -13.127 -9.258 1.00 3.43 H new ATOM 0 HA2 GLY A 2 -12.617 -11.200 -7.224 1.00 3.40 H new ATOM 0 HA3 GLY A 2 -11.269 -12.320 -7.225 1.00 3.40 H new ATOM 27 N ASP A 3 -10.971 -9.294 -7.636 1.00 2.44 N ATOM 28 CA ASP A 3 -10.164 -8.094 -7.816 1.00 1.88 C ATOM 29 C ASP A 3 -10.778 -7.019 -6.919 1.00 1.97 C ATOM 30 O ASP A 3 -11.823 -7.242 -6.303 1.00 3.01 O ATOM 31 CB ASP A 3 -10.059 -7.609 -9.277 1.00 1.93 C ATOM 32 CG ASP A 3 -11.392 -7.176 -9.864 1.00 3.07 C ATOM 33 OD1 ASP A 3 -11.775 -6.016 -9.612 1.00 3.43 O ATOM 34 OD2 ASP A 3 -11.979 -8.007 -10.595 1.00 4.48 O ATOM 0 H ASP A 3 -11.684 -9.158 -6.919 1.00 2.44 H new ATOM 0 HA ASP A 3 -9.134 -8.319 -7.541 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -9.360 -6.774 -9.326 1.00 1.93 H new ATOM 0 HB3 ASP A 3 -9.643 -8.409 -9.889 1.00 1.93 H new ATOM 39 N GLY A 4 -10.104 -5.878 -6.816 1.00 1.46 N ATOM 40 CA GLY A 4 -10.438 -4.787 -5.926 1.00 1.68 C ATOM 41 C GLY A 4 -9.254 -3.830 -5.945 1.00 1.49 C ATOM 42 O GLY A 4 -8.143 -4.233 -6.293 1.00 1.79 O ATOM 0 H GLY A 4 -9.275 -5.687 -7.378 1.00 1.46 H new ATOM 0 HA2 GLY A 4 -11.348 -4.284 -6.254 1.00 1.68 H new ATOM 0 HA3 GLY A 4 -10.623 -5.154 -4.916 1.00 1.68 H new ATOM 46 N VAL A 5 -9.488 -2.555 -5.627 1.00 1.34 N ATOM 47 CA VAL A 5 -8.483 -1.508 -5.699 1.00 1.19 C ATOM 48 C VAL A 5 -8.713 -0.560 -4.531 1.00 1.15 C ATOM 49 O VAL A 5 -9.862 -0.312 -4.169 1.00 1.67 O ATOM 50 CB VAL A 5 -8.585 -0.761 -7.044 1.00 1.38 C ATOM 51 CG1 VAL A 5 -7.520 0.341 -7.143 1.00 2.00 C ATOM 52 CG2 VAL A 5 -8.418 -1.714 -8.235 1.00 2.84 C ATOM 0 H VAL A 5 -10.398 -2.222 -5.308 1.00 1.34 H new ATOM 0 HA VAL A 5 -7.482 -1.934 -5.638 1.00 1.19 H new ATOM 0 HB VAL A 5 -9.580 -0.317 -7.080 1.00 1.38 H new ATOM 0 HG11 VAL A 5 -7.614 0.852 -8.101 1.00 2.00 H new ATOM 0 HG12 VAL A 5 -7.661 1.057 -6.334 1.00 2.00 H new ATOM 0 HG13 VAL A 5 -6.528 -0.104 -7.065 1.00 2.00 H new ATOM 0 HG21 VAL A 5 -8.496 -1.151 -9.165 1.00 2.84 H new ATOM 0 HG22 VAL A 5 -7.441 -2.194 -8.182 1.00 2.84 H new ATOM 0 HG23 VAL A 5 -9.198 -2.474 -8.205 1.00 2.84 H new ATOM 62 N LEU A 6 -7.639 -0.024 -3.947 1.00 0.69 N ATOM 63 CA LEU A 6 -7.735 1.147 -3.092 1.00 0.66 C ATOM 64 C LEU A 6 -6.446 1.952 -3.196 1.00 0.60 C ATOM 65 O LEU A 6 -5.419 1.439 -3.649 1.00 0.71 O ATOM 66 CB LEU A 6 -8.117 0.784 -1.642 1.00 0.84 C ATOM 67 CG LEU A 6 -6.952 0.492 -0.678 1.00 1.96 C ATOM 68 CD1 LEU A 6 -7.502 0.292 0.739 1.00 2.91 C ATOM 69 CD2 LEU A 6 -6.147 -0.748 -1.072 1.00 3.40 C ATOM 0 H LEU A 6 -6.692 -0.388 -4.055 1.00 0.69 H new ATOM 0 HA LEU A 6 -8.553 1.778 -3.440 1.00 0.66 H new ATOM 0 HB2 LEU A 6 -8.705 1.603 -1.229 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -8.765 -0.092 -1.669 1.00 0.84 H new ATOM 0 HG LEU A 6 -6.280 1.349 -0.725 1.00 1.96 H new ATOM 0 HD11 LEU A 6 -6.679 0.085 1.423 1.00 2.91 H new ATOM 0 HD12 LEU A 6 -8.021 1.196 1.059 1.00 2.91 H new ATOM 0 HD13 LEU A 6 -8.198 -0.547 0.744 1.00 2.91 H new ATOM 0 HD21 LEU A 6 -5.341 -0.901 -0.355 1.00 3.40 H new ATOM 0 HD22 LEU A 6 -6.801 -1.620 -1.075 1.00 3.40 H new ATOM 0 HD23 LEU A 6 -5.726 -0.607 -2.067 1.00 3.40 H new ATOM 81 N GLU A 7 -6.511 3.206 -2.749 1.00 0.63 N ATOM 82 CA GLU A 7 -5.347 4.039 -2.546 1.00 0.65 C ATOM 83 C GLU A 7 -5.298 4.439 -1.077 1.00 0.68 C ATOM 84 O GLU A 7 -6.344 4.619 -0.447 1.00 1.18 O ATOM 85 CB GLU A 7 -5.395 5.265 -3.459 1.00 0.72 C ATOM 86 CG GLU A 7 -5.444 4.871 -4.942 1.00 0.74 C ATOM 87 CD GLU A 7 -4.840 5.967 -5.800 1.00 1.28 C ATOM 88 OE1 GLU A 7 -5.116 7.155 -5.530 1.00 2.05 O ATOM 89 OE2 GLU A 7 -3.964 5.655 -6.640 1.00 2.35 O ATOM 0 H GLU A 7 -7.390 3.669 -2.517 1.00 0.63 H new ATOM 0 HA GLU A 7 -4.441 3.489 -2.802 1.00 0.65 H new ATOM 0 HB2 GLU A 7 -6.270 5.867 -3.214 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -4.519 5.888 -3.277 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -4.900 3.939 -5.095 1.00 0.74 H new ATOM 0 HG3 GLU A 7 -6.476 4.691 -5.243 1.00 0.74 H new ATOM 96 N LEU A 8 -4.084 4.554 -0.538 1.00 0.43 N ATOM 97 CA LEU A 8 -3.831 4.975 0.827 1.00 0.48 C ATOM 98 C LEU A 8 -2.643 5.934 0.806 1.00 0.46 C ATOM 99 O LEU A 8 -1.626 5.652 0.171 1.00 0.45 O ATOM 100 CB LEU A 8 -3.642 3.765 1.774 1.00 0.58 C ATOM 101 CG LEU A 8 -2.727 2.656 1.223 1.00 0.75 C ATOM 102 CD1 LEU A 8 -2.039 1.921 2.377 1.00 1.07 C ATOM 103 CD2 LEU A 8 -3.505 1.615 0.405 1.00 1.44 C ATOM 0 H LEU A 8 -3.231 4.350 -1.059 1.00 0.43 H new ATOM 0 HA LEU A 8 -4.693 5.502 1.235 1.00 0.48 H new ATOM 0 HB2 LEU A 8 -3.231 4.121 2.719 1.00 0.58 H new ATOM 0 HB3 LEU A 8 -4.620 3.336 1.993 1.00 0.58 H new ATOM 0 HG LEU A 8 -1.999 3.145 0.576 1.00 0.75 H new ATOM 0 HD11 LEU A 8 -1.394 1.139 1.977 1.00 1.07 H new ATOM 0 HD12 LEU A 8 -1.439 2.627 2.952 1.00 1.07 H new ATOM 0 HD13 LEU A 8 -2.793 1.474 3.025 1.00 1.07 H new ATOM 0 HD21 LEU A 8 -2.817 0.853 0.037 1.00 1.44 H new ATOM 0 HD22 LEU A 8 -4.261 1.147 1.036 1.00 1.44 H new ATOM 0 HD23 LEU A 8 -3.990 2.104 -0.440 1.00 1.44 H new ATOM 115 N VAL A 9 -2.793 7.094 1.448 1.00 0.49 N ATOM 116 CA VAL A 9 -1.738 8.083 1.558 1.00 0.51 C ATOM 117 C VAL A 9 -0.820 7.593 2.676 1.00 0.47 C ATOM 118 O VAL A 9 -1.198 7.624 3.845 1.00 0.56 O ATOM 119 CB VAL A 9 -2.317 9.488 1.797 1.00 0.64 C ATOM 120 CG1 VAL A 9 -1.197 10.530 1.690 1.00 0.79 C ATOM 121 CG2 VAL A 9 -3.399 9.827 0.762 1.00 1.07 C ATOM 0 H VAL A 9 -3.661 7.369 1.908 1.00 0.49 H new ATOM 0 HA VAL A 9 -1.166 8.185 0.635 1.00 0.51 H new ATOM 0 HB VAL A 9 -2.762 9.502 2.792 1.00 0.64 H new ATOM 0 HG11 VAL A 9 -1.608 11.525 1.859 1.00 0.79 H new ATOM 0 HG12 VAL A 9 -0.433 10.321 2.439 1.00 0.79 H new ATOM 0 HG13 VAL A 9 -0.753 10.486 0.696 1.00 0.79 H new ATOM 0 HG21 VAL A 9 -3.789 10.826 0.957 1.00 1.07 H new ATOM 0 HG22 VAL A 9 -2.968 9.795 -0.239 1.00 1.07 H new ATOM 0 HG23 VAL A 9 -4.209 9.101 0.832 1.00 1.07 H new ATOM 131 N VAL A 10 0.342 7.061 2.304 1.00 0.46 N ATOM 132 CA VAL A 10 1.281 6.400 3.183 1.00 0.46 C ATOM 133 C VAL A 10 2.267 7.445 3.701 1.00 0.49 C ATOM 134 O VAL A 10 3.321 7.673 3.109 1.00 0.55 O ATOM 135 CB VAL A 10 1.947 5.230 2.438 1.00 0.46 C ATOM 136 CG1 VAL A 10 0.968 4.058 2.323 1.00 0.65 C ATOM 137 CG2 VAL A 10 2.431 5.558 1.022 1.00 0.64 C ATOM 0 H VAL A 10 0.661 7.084 1.336 1.00 0.46 H new ATOM 0 HA VAL A 10 0.787 5.961 4.050 1.00 0.46 H new ATOM 0 HB VAL A 10 2.825 4.987 3.036 1.00 0.46 H new ATOM 0 HG11 VAL A 10 1.447 3.234 1.794 1.00 0.65 H new ATOM 0 HG12 VAL A 10 0.676 3.729 3.320 1.00 0.65 H new ATOM 0 HG13 VAL A 10 0.083 4.376 1.772 1.00 0.65 H new ATOM 0 HG21 VAL A 10 2.886 4.672 0.579 1.00 0.64 H new ATOM 0 HG22 VAL A 10 1.585 5.875 0.413 1.00 0.64 H new ATOM 0 HG23 VAL A 10 3.168 6.360 1.066 1.00 0.64 H new ATOM 147 N ARG A 11 1.940 8.089 4.823 1.00 0.57 N ATOM 148 CA ARG A 11 2.732 9.237 5.245 1.00 0.60 C ATOM 149 C ARG A 11 4.042 8.711 5.825 1.00 0.50 C ATOM 150 O ARG A 11 4.019 7.786 6.637 1.00 0.66 O ATOM 151 CB ARG A 11 2.028 10.085 6.312 1.00 0.90 C ATOM 152 CG ARG A 11 0.549 10.385 6.037 1.00 1.11 C ATOM 153 CD ARG A 11 0.000 11.203 7.213 1.00 1.74 C ATOM 154 NE ARG A 11 -1.461 11.358 7.130 1.00 2.73 N ATOM 155 CZ ARG A 11 -2.349 11.226 8.134 1.00 3.75 C ATOM 156 NH1 ARG A 11 -1.995 10.823 9.359 1.00 4.13 N ATOM 157 NH2 ARG A 11 -3.633 11.526 7.901 1.00 5.23 N ATOM 0 H ARG A 11 1.161 7.845 5.434 1.00 0.57 H new ATOM 0 HA ARG A 11 2.891 9.877 4.377 1.00 0.60 H new ATOM 0 HB2 ARG A 11 2.106 9.572 7.271 1.00 0.90 H new ATOM 0 HB3 ARG A 11 2.561 11.030 6.412 1.00 0.90 H new ATOM 0 HG2 ARG A 11 0.440 10.939 5.105 1.00 1.11 H new ATOM 0 HG3 ARG A 11 -0.012 9.458 5.924 1.00 1.11 H new ATOM 0 HD2 ARG A 11 0.262 10.713 8.151 1.00 1.74 H new ATOM 0 HD3 ARG A 11 0.471 12.186 7.224 1.00 1.74 H new ATOM 0 HE ARG A 11 -1.842 11.591 6.213 1.00 2.73 H new ATOM 0 HH11 ARG A 11 -1.020 10.602 9.561 1.00 4.13 H new ATOM 0 HH12 ARG A 11 -2.700 10.736 10.091 1.00 4.13 H new ATOM 0 HH21 ARG A 11 -3.922 11.847 6.977 1.00 5.23 H new ATOM 0 HH22 ARG A 11 -4.322 11.433 8.647 1.00 5.23 H new ATOM 171 N GLY A 12 5.164 9.285 5.384 1.00 0.48 N ATOM 172 CA GLY A 12 6.493 8.955 5.870 1.00 0.51 C ATOM 173 C GLY A 12 7.429 8.582 4.723 1.00 0.52 C ATOM 174 O GLY A 12 8.579 9.015 4.709 1.00 0.71 O ATOM 0 H GLY A 12 5.167 10.007 4.663 1.00 0.48 H new ATOM 0 HA2 GLY A 12 6.904 9.805 6.415 1.00 0.51 H new ATOM 0 HA3 GLY A 12 6.429 8.125 6.574 1.00 0.51 H new ATOM 178 N MET A 13 6.965 7.783 3.756 1.00 0.56 N ATOM 179 CA MET A 13 7.836 7.320 2.689 1.00 0.69 C ATOM 180 C MET A 13 8.066 8.473 1.711 1.00 0.93 C ATOM 181 O MET A 13 7.114 9.168 1.354 1.00 1.34 O ATOM 182 CB MET A 13 7.235 6.065 2.048 1.00 1.13 C ATOM 183 CG MET A 13 6.040 6.326 1.137 1.00 0.83 C ATOM 184 SD MET A 13 6.488 6.542 -0.603 1.00 1.16 S ATOM 185 CE MET A 13 4.821 6.536 -1.257 1.00 1.37 C ATOM 0 H MET A 13 6.002 7.451 3.696 1.00 0.56 H new ATOM 0 HA MET A 13 8.815 7.025 3.066 1.00 0.69 H new ATOM 0 HB2 MET A 13 8.011 5.561 1.472 1.00 1.13 H new ATOM 0 HB3 MET A 13 6.929 5.380 2.839 1.00 1.13 H new ATOM 0 HG2 MET A 13 5.340 5.495 1.223 1.00 0.83 H new ATOM 0 HG3 MET A 13 5.519 7.219 1.483 1.00 0.83 H new ATOM 0 HE1 MET A 13 4.857 6.569 -2.346 1.00 1.37 H new ATOM 0 HE2 MET A 13 4.308 5.628 -0.939 1.00 1.37 H new ATOM 0 HE3 MET A 13 4.281 7.407 -0.885 1.00 1.37 H new ATOM 195 N THR A 14 9.320 8.723 1.323 1.00 0.89 N ATOM 196 CA THR A 14 9.651 9.927 0.571 1.00 1.25 C ATOM 197 C THR A 14 10.913 9.769 -0.287 1.00 0.88 C ATOM 198 O THR A 14 11.544 10.773 -0.623 1.00 0.88 O ATOM 199 CB THR A 14 9.720 11.127 1.537 1.00 1.87 C ATOM 200 OG1 THR A 14 9.897 12.331 0.820 1.00 2.69 O ATOM 201 CG2 THR A 14 10.836 10.984 2.579 1.00 1.94 C ATOM 0 H THR A 14 10.113 8.111 1.517 1.00 0.89 H new ATOM 0 HA THR A 14 8.857 10.114 -0.152 1.00 1.25 H new ATOM 0 HB THR A 14 8.770 11.149 2.071 1.00 1.87 H new ATOM 0 HG1 THR A 14 10.516 12.180 0.075 1.00 2.69 H new ATOM 0 HG21 THR A 14 10.838 11.857 3.232 1.00 1.94 H new ATOM 0 HG22 THR A 14 10.666 10.086 3.173 1.00 1.94 H new ATOM 0 HG23 THR A 14 11.798 10.907 2.073 1.00 1.94 H new ATOM 209 N CYS A 15 11.268 8.542 -0.680 1.00 0.92 N ATOM 210 CA CYS A 15 12.423 8.285 -1.525 1.00 0.76 C ATOM 211 C CYS A 15 12.320 6.884 -2.122 1.00 0.68 C ATOM 212 O CYS A 15 11.639 6.020 -1.569 1.00 0.63 O ATOM 213 CB CYS A 15 13.732 8.487 -0.741 1.00 0.83 C ATOM 214 SG CYS A 15 13.712 8.096 1.032 1.00 1.39 S ATOM 0 H CYS A 15 10.756 7.700 -0.416 1.00 0.92 H new ATOM 0 HA CYS A 15 12.436 9.001 -2.346 1.00 0.76 H new ATOM 0 HB2 CYS A 15 14.504 7.878 -1.212 1.00 0.83 H new ATOM 0 HB3 CYS A 15 14.035 9.528 -0.853 1.00 0.83 H new ATOM 219 N ALA A 16 13.007 6.676 -3.251 1.00 0.73 N ATOM 220 CA ALA A 16 13.005 5.440 -4.030 1.00 0.77 C ATOM 221 C ALA A 16 13.210 4.208 -3.149 1.00 0.75 C ATOM 222 O ALA A 16 12.567 3.178 -3.349 1.00 0.78 O ATOM 223 CB ALA A 16 14.088 5.518 -5.109 1.00 0.89 C ATOM 0 H ALA A 16 13.603 7.396 -3.661 1.00 0.73 H new ATOM 0 HA ALA A 16 12.027 5.335 -4.500 1.00 0.77 H new ATOM 0 HB1 ALA A 16 14.088 4.597 -5.691 1.00 0.89 H new ATOM 0 HB2 ALA A 16 13.886 6.363 -5.767 1.00 0.89 H new ATOM 0 HB3 ALA A 16 15.062 5.650 -4.638 1.00 0.89 H new ATOM 229 N SER A 17 14.095 4.332 -2.153 1.00 0.74 N ATOM 230 CA SER A 17 14.284 3.304 -1.143 1.00 0.80 C ATOM 231 C SER A 17 12.934 2.840 -0.607 1.00 0.82 C ATOM 232 O SER A 17 12.677 1.648 -0.449 1.00 0.92 O ATOM 233 CB SER A 17 15.155 3.818 0.016 1.00 0.84 C ATOM 234 OG SER A 17 15.334 2.791 0.985 1.00 2.21 O ATOM 0 H SER A 17 14.695 5.148 -2.031 1.00 0.74 H new ATOM 0 HA SER A 17 14.796 2.463 -1.611 1.00 0.80 H new ATOM 0 HB2 SER A 17 16.124 4.144 -0.363 1.00 0.84 H new ATOM 0 HB3 SER A 17 14.685 4.686 0.477 1.00 0.84 H new ATOM 0 HG SER A 17 15.891 3.127 1.718 1.00 2.21 H new ATOM 240 N CYS A 18 12.114 3.771 -0.136 1.00 0.65 N ATOM 241 CA CYS A 18 10.841 3.422 0.459 1.00 0.63 C ATOM 242 C CYS A 18 9.825 2.981 -0.580 1.00 0.63 C ATOM 243 O CYS A 18 9.066 2.061 -0.297 1.00 0.73 O ATOM 244 CB CYS A 18 10.417 4.485 1.453 1.00 0.63 C ATOM 245 SG CYS A 18 11.730 4.745 2.673 1.00 1.19 S ATOM 0 H CYS A 18 12.312 4.771 -0.157 1.00 0.65 H new ATOM 0 HA CYS A 18 10.937 2.522 1.066 1.00 0.63 H new ATOM 0 HB2 CYS A 18 10.203 5.418 0.932 1.00 0.63 H new ATOM 0 HB3 CYS A 18 9.498 4.181 1.954 1.00 0.63 H new ATOM 250 N VAL A 19 9.864 3.551 -1.788 1.00 0.58 N ATOM 251 CA VAL A 19 9.012 3.099 -2.879 1.00 0.59 C ATOM 252 C VAL A 19 9.146 1.586 -3.008 1.00 0.59 C ATOM 253 O VAL A 19 8.189 0.832 -2.815 1.00 0.56 O ATOM 254 CB VAL A 19 9.381 3.801 -4.200 1.00 0.63 C ATOM 255 CG1 VAL A 19 8.520 3.333 -5.378 1.00 0.69 C ATOM 256 CG2 VAL A 19 9.241 5.313 -4.053 1.00 0.64 C ATOM 0 H VAL A 19 10.480 4.327 -2.030 1.00 0.58 H new ATOM 0 HA VAL A 19 7.976 3.356 -2.660 1.00 0.59 H new ATOM 0 HB VAL A 19 10.416 3.534 -4.414 1.00 0.63 H new ATOM 0 HG11 VAL A 19 8.823 3.860 -6.282 1.00 0.69 H new ATOM 0 HG12 VAL A 19 8.652 2.261 -5.522 1.00 0.69 H new ATOM 0 HG13 VAL A 19 7.471 3.545 -5.169 1.00 0.69 H new ATOM 0 HG21 VAL A 19 9.505 5.796 -4.994 1.00 0.64 H new ATOM 0 HG22 VAL A 19 8.211 5.560 -3.795 1.00 0.64 H new ATOM 0 HG23 VAL A 19 9.907 5.665 -3.265 1.00 0.64 H new ATOM 266 N HIS A 20 10.371 1.148 -3.294 1.00 0.65 N ATOM 267 CA HIS A 20 10.603 -0.245 -3.566 1.00 0.70 C ATOM 268 C HIS A 20 10.444 -1.104 -2.308 1.00 0.65 C ATOM 269 O HIS A 20 10.018 -2.253 -2.422 1.00 0.68 O ATOM 270 CB HIS A 20 11.894 -0.405 -4.375 1.00 0.82 C ATOM 271 CG HIS A 20 13.206 0.029 -3.772 1.00 0.89 C ATOM 272 ND1 HIS A 20 14.273 0.519 -4.491 1.00 1.05 N ATOM 273 CD2 HIS A 20 13.655 -0.216 -2.504 1.00 0.88 C ATOM 274 CE1 HIS A 20 15.333 0.573 -3.668 1.00 1.12 C ATOM 275 NE2 HIS A 20 15.007 0.129 -2.444 1.00 1.02 N ATOM 0 H HIS A 20 11.201 1.740 -3.340 1.00 0.65 H new ATOM 0 HA HIS A 20 9.827 -0.652 -4.214 1.00 0.70 H new ATOM 0 HB2 HIS A 20 11.987 -1.459 -4.636 1.00 0.82 H new ATOM 0 HB3 HIS A 20 11.765 0.144 -5.308 1.00 0.82 H new ATOM 0 HD2 HIS A 20 13.065 -0.609 -1.689 1.00 0.88 H new ATOM 0 HE1 HIS A 20 16.314 0.925 -3.952 1.00 1.12 H new ATOM 0 HE2 HIS A 20 15.622 0.058 -1.634 1.00 1.02 H new ATOM 283 N LYS A 21 10.718 -0.567 -1.106 1.00 0.63 N ATOM 284 CA LYS A 21 10.443 -1.310 0.118 1.00 0.66 C ATOM 285 C LYS A 21 8.946 -1.587 0.225 1.00 0.52 C ATOM 286 O LYS A 21 8.580 -2.743 0.437 1.00 0.57 O ATOM 287 CB LYS A 21 10.975 -0.624 1.390 1.00 0.79 C ATOM 288 CG LYS A 21 12.489 -0.824 1.566 1.00 1.58 C ATOM 289 CD LYS A 21 13.041 -0.330 2.919 1.00 2.10 C ATOM 290 CE LYS A 21 12.692 1.119 3.301 1.00 2.87 C ATOM 291 NZ LYS A 21 13.109 2.098 2.281 1.00 4.41 N ATOM 0 H LYS A 21 11.121 0.359 -0.965 1.00 0.63 H new ATOM 0 HA LYS A 21 10.987 -2.252 0.049 1.00 0.66 H new ATOM 0 HB2 LYS A 21 10.754 0.442 1.346 1.00 0.79 H new ATOM 0 HB3 LYS A 21 10.454 -1.022 2.261 1.00 0.79 H new ATOM 0 HG2 LYS A 21 12.719 -1.884 1.458 1.00 1.58 H new ATOM 0 HG3 LYS A 21 13.009 -0.302 0.762 1.00 1.58 H new ATOM 0 HD2 LYS A 21 12.671 -0.991 3.703 1.00 2.10 H new ATOM 0 HD3 LYS A 21 14.126 -0.430 2.904 1.00 2.10 H new ATOM 0 HE2 LYS A 21 11.616 1.199 3.456 1.00 2.87 H new ATOM 0 HE3 LYS A 21 13.170 1.364 4.249 1.00 2.87 H new ATOM 0 HZ1 LYS A 21 12.703 3.029 2.506 1.00 4.41 H new ATOM 0 HZ2 LYS A 21 14.147 2.167 2.269 1.00 4.41 H new ATOM 0 HZ3 LYS A 21 12.772 1.791 1.346 1.00 4.41 H new ATOM 305 N ILE A 22 8.081 -0.574 0.077 1.00 0.41 N ATOM 306 CA ILE A 22 6.648 -0.826 0.143 1.00 0.35 C ATOM 307 C ILE A 22 6.272 -1.843 -0.928 1.00 0.36 C ATOM 308 O ILE A 22 5.727 -2.891 -0.598 1.00 0.41 O ATOM 309 CB ILE A 22 5.781 0.447 0.041 1.00 0.39 C ATOM 310 CG1 ILE A 22 6.135 1.411 1.178 1.00 0.45 C ATOM 311 CG2 ILE A 22 4.297 0.054 0.146 1.00 0.65 C ATOM 312 CD1 ILE A 22 5.248 2.650 1.274 1.00 0.57 C ATOM 0 H ILE A 22 8.344 0.398 -0.084 1.00 0.41 H new ATOM 0 HA ILE A 22 6.435 -1.228 1.133 1.00 0.35 H new ATOM 0 HB ILE A 22 5.968 0.938 -0.914 1.00 0.39 H new ATOM 0 HG12 ILE A 22 6.081 0.870 2.123 1.00 0.45 H new ATOM 0 HG13 ILE A 22 7.169 1.732 1.053 1.00 0.45 H new ATOM 0 HG21 ILE A 22 3.678 0.948 0.075 1.00 0.65 H new ATOM 0 HG22 ILE A 22 4.043 -0.629 -0.665 1.00 0.65 H new ATOM 0 HG23 ILE A 22 4.117 -0.436 1.103 1.00 0.65 H new ATOM 0 HD11 ILE A 22 5.577 3.269 2.108 1.00 0.57 H new ATOM 0 HD12 ILE A 22 5.319 3.221 0.348 1.00 0.57 H new ATOM 0 HD13 ILE A 22 4.214 2.346 1.434 1.00 0.57 H new ATOM 324 N GLU A 23 6.556 -1.554 -2.196 1.00 0.40 N ATOM 325 CA GLU A 23 6.108 -2.403 -3.290 1.00 0.47 C ATOM 326 C GLU A 23 6.570 -3.852 -3.083 1.00 0.48 C ATOM 327 O GLU A 23 5.750 -4.774 -3.051 1.00 0.49 O ATOM 328 CB GLU A 23 6.587 -1.799 -4.614 1.00 0.59 C ATOM 329 CG GLU A 23 5.895 -0.443 -4.839 1.00 1.29 C ATOM 330 CD GLU A 23 6.486 0.360 -5.987 1.00 1.49 C ATOM 331 OE1 GLU A 23 7.501 -0.090 -6.558 1.00 1.92 O ATOM 332 OE2 GLU A 23 5.895 1.428 -6.257 1.00 2.47 O ATOM 0 H GLU A 23 7.094 -0.738 -2.488 1.00 0.40 H new ATOM 0 HA GLU A 23 5.019 -2.443 -3.316 1.00 0.47 H new ATOM 0 HB2 GLU A 23 7.669 -1.669 -4.596 1.00 0.59 H new ATOM 0 HB3 GLU A 23 6.361 -2.476 -5.438 1.00 0.59 H new ATOM 0 HG2 GLU A 23 4.836 -0.613 -5.033 1.00 1.29 H new ATOM 0 HG3 GLU A 23 5.961 0.145 -3.924 1.00 1.29 H new ATOM 339 N SER A 24 7.876 -4.047 -2.886 1.00 0.51 N ATOM 340 CA SER A 24 8.453 -5.365 -2.659 1.00 0.55 C ATOM 341 C SER A 24 7.795 -6.036 -1.448 1.00 0.54 C ATOM 342 O SER A 24 7.297 -7.156 -1.549 1.00 0.68 O ATOM 343 CB SER A 24 9.973 -5.239 -2.491 1.00 0.64 C ATOM 344 OG SER A 24 10.576 -6.517 -2.433 1.00 1.54 O ATOM 0 H SER A 24 8.561 -3.291 -2.880 1.00 0.51 H new ATOM 0 HA SER A 24 8.261 -6.002 -3.522 1.00 0.55 H new ATOM 0 HB2 SER A 24 10.390 -4.672 -3.323 1.00 0.64 H new ATOM 0 HB3 SER A 24 10.199 -4.683 -1.581 1.00 0.64 H new ATOM 0 HG SER A 24 11.545 -6.417 -2.328 1.00 1.54 H new ATOM 350 N SER A 25 7.770 -5.346 -0.304 1.00 0.47 N ATOM 351 CA SER A 25 7.224 -5.891 0.929 1.00 0.54 C ATOM 352 C SER A 25 5.770 -6.315 0.736 1.00 0.51 C ATOM 353 O SER A 25 5.408 -7.457 1.003 1.00 0.62 O ATOM 354 CB SER A 25 7.365 -4.865 2.058 1.00 0.64 C ATOM 355 OG SER A 25 6.848 -5.397 3.265 1.00 0.97 O ATOM 0 H SER A 25 8.129 -4.396 -0.213 1.00 0.47 H new ATOM 0 HA SER A 25 7.788 -6.782 1.205 1.00 0.54 H new ATOM 0 HB2 SER A 25 8.414 -4.598 2.189 1.00 0.64 H new ATOM 0 HB3 SER A 25 6.833 -3.950 1.797 1.00 0.64 H new ATOM 0 HG SER A 25 6.115 -4.831 3.585 1.00 0.97 H new ATOM 361 N LEU A 26 4.917 -5.405 0.273 1.00 0.55 N ATOM 362 CA LEU A 26 3.490 -5.656 0.151 1.00 0.72 C ATOM 363 C LEU A 26 3.210 -6.818 -0.791 1.00 0.78 C ATOM 364 O LEU A 26 2.279 -7.581 -0.549 1.00 0.92 O ATOM 365 CB LEU A 26 2.765 -4.394 -0.306 1.00 0.82 C ATOM 366 CG LEU A 26 2.376 -3.458 0.845 1.00 0.96 C ATOM 367 CD1 LEU A 26 1.154 -3.962 1.620 1.00 2.06 C ATOM 368 CD2 LEU A 26 3.502 -3.170 1.847 1.00 1.65 C ATOM 0 H LEU A 26 5.200 -4.472 -0.028 1.00 0.55 H new ATOM 0 HA LEU A 26 3.111 -5.934 1.134 1.00 0.72 H new ATOM 0 HB2 LEU A 26 3.402 -3.852 -1.004 1.00 0.82 H new ATOM 0 HB3 LEU A 26 1.865 -4.679 -0.851 1.00 0.82 H new ATOM 0 HG LEU A 26 2.140 -2.523 0.337 1.00 0.96 H new ATOM 0 HD11 LEU A 26 0.920 -3.264 2.424 1.00 2.06 H new ATOM 0 HD12 LEU A 26 0.301 -4.038 0.945 1.00 2.06 H new ATOM 0 HD13 LEU A 26 1.371 -4.943 2.043 1.00 2.06 H new ATOM 0 HD21 LEU A 26 3.135 -2.500 2.624 1.00 1.65 H new ATOM 0 HD22 LEU A 26 3.834 -4.104 2.300 1.00 1.65 H new ATOM 0 HD23 LEU A 26 4.339 -2.701 1.329 1.00 1.65 H new ATOM 380 N THR A 27 4.032 -7.003 -1.822 1.00 0.79 N ATOM 381 CA THR A 27 3.916 -8.178 -2.682 1.00 0.99 C ATOM 382 C THR A 27 3.944 -9.509 -1.892 1.00 1.44 C ATOM 383 O THR A 27 3.444 -10.517 -2.388 1.00 2.54 O ATOM 384 CB THR A 27 4.949 -8.115 -3.821 1.00 1.22 C ATOM 385 OG1 THR A 27 4.799 -6.895 -4.522 1.00 1.78 O ATOM 386 CG2 THR A 27 4.752 -9.231 -4.851 1.00 2.46 C ATOM 0 H THR A 27 4.780 -6.360 -2.081 1.00 0.79 H new ATOM 0 HA THR A 27 2.929 -8.159 -3.143 1.00 0.99 H new ATOM 0 HB THR A 27 5.930 -8.215 -3.357 1.00 1.22 H new ATOM 0 HG1 THR A 27 5.187 -6.165 -3.995 1.00 1.78 H new ATOM 0 HG21 THR A 27 5.506 -9.141 -5.633 1.00 2.46 H new ATOM 0 HG22 THR A 27 4.851 -10.200 -4.361 1.00 2.46 H new ATOM 0 HG23 THR A 27 3.759 -9.147 -5.293 1.00 2.46 H new ATOM 394 N LYS A 28 4.455 -9.541 -0.649 1.00 1.43 N ATOM 395 CA LYS A 28 4.345 -10.718 0.218 1.00 1.68 C ATOM 396 C LYS A 28 2.886 -11.167 0.402 1.00 1.33 C ATOM 397 O LYS A 28 2.614 -12.350 0.597 1.00 1.51 O ATOM 398 CB LYS A 28 5.058 -10.487 1.566 1.00 2.20 C ATOM 399 CG LYS A 28 4.318 -9.558 2.549 1.00 2.93 C ATOM 400 CD LYS A 28 3.655 -10.327 3.704 1.00 4.15 C ATOM 401 CE LYS A 28 2.482 -9.567 4.348 1.00 5.34 C ATOM 402 NZ LYS A 28 2.784 -8.154 4.681 1.00 5.72 N ATOM 0 H LYS A 28 4.951 -8.758 -0.224 1.00 1.43 H new ATOM 0 HA LYS A 28 4.857 -11.540 -0.282 1.00 1.68 H new ATOM 0 HB2 LYS A 28 5.210 -11.453 2.048 1.00 2.20 H new ATOM 0 HB3 LYS A 28 6.045 -10.069 1.370 1.00 2.20 H new ATOM 0 HG2 LYS A 28 5.022 -8.832 2.957 1.00 2.93 H new ATOM 0 HG3 LYS A 28 3.557 -8.995 2.008 1.00 2.93 H new ATOM 0 HD2 LYS A 28 3.297 -11.287 3.333 1.00 4.15 H new ATOM 0 HD3 LYS A 28 4.404 -10.539 4.467 1.00 4.15 H new ATOM 0 HE2 LYS A 28 1.629 -9.595 3.669 1.00 5.34 H new ATOM 0 HE3 LYS A 28 2.182 -10.087 5.258 1.00 5.34 H new ATOM 0 HZ1 LYS A 28 1.941 -7.707 5.094 1.00 5.72 H new ATOM 0 HZ2 LYS A 28 3.566 -8.118 5.366 1.00 5.72 H new ATOM 0 HZ3 LYS A 28 3.057 -7.644 3.817 1.00 5.72 H new ATOM 416 N HIS A 29 1.936 -10.227 0.350 1.00 1.07 N ATOM 417 CA HIS A 29 0.526 -10.561 0.283 1.00 1.27 C ATOM 418 C HIS A 29 0.239 -11.189 -1.079 1.00 1.08 C ATOM 419 O HIS A 29 0.045 -10.470 -2.054 1.00 1.51 O ATOM 420 CB HIS A 29 -0.338 -9.306 0.451 1.00 1.88 C ATOM 421 CG HIS A 29 -0.295 -8.682 1.818 1.00 0.96 C ATOM 422 ND1 HIS A 29 -1.038 -9.066 2.911 1.00 1.81 N ATOM 423 CD2 HIS A 29 0.482 -7.622 2.197 1.00 0.96 C ATOM 424 CE1 HIS A 29 -0.698 -8.258 3.928 1.00 2.82 C ATOM 425 NE2 HIS A 29 0.244 -7.379 3.551 1.00 2.31 N ATOM 0 H HIS A 29 2.129 -9.225 0.354 1.00 1.07 H new ATOM 0 HA HIS A 29 0.285 -11.257 1.087 1.00 1.27 H new ATOM 0 HB2 HIS A 29 -0.019 -8.564 -0.281 1.00 1.88 H new ATOM 0 HB3 HIS A 29 -1.372 -9.561 0.217 1.00 1.88 H new ATOM 0 HD2 HIS A 29 1.159 -7.071 1.562 1.00 0.96 H new ATOM 0 HE1 HIS A 29 -1.126 -8.309 4.918 1.00 2.82 H new ATOM 0 HE2 HIS A 29 0.695 -6.675 4.136 1.00 2.31 H new ATOM 433 N ARG A 30 0.124 -12.519 -1.137 1.00 1.08 N ATOM 434 CA ARG A 30 -0.333 -13.213 -2.341 1.00 1.53 C ATOM 435 C ARG A 30 -1.624 -12.598 -2.901 1.00 1.85 C ATOM 436 O ARG A 30 -1.845 -12.611 -4.105 1.00 3.61 O ATOM 437 CB ARG A 30 -0.578 -14.698 -2.050 1.00 1.91 C ATOM 438 CG ARG A 30 0.665 -15.431 -1.526 1.00 2.74 C ATOM 439 CD ARG A 30 0.460 -16.950 -1.615 1.00 3.32 C ATOM 440 NE ARG A 30 -0.761 -17.374 -0.906 1.00 3.48 N ATOM 441 CZ ARG A 30 -1.422 -18.525 -1.113 1.00 4.19 C ATOM 442 NH1 ARG A 30 -0.914 -19.450 -1.936 1.00 4.65 N ATOM 443 NH2 ARG A 30 -2.589 -18.747 -0.496 1.00 5.36 N ATOM 0 H ARG A 30 0.343 -13.139 -0.357 1.00 1.08 H new ATOM 0 HA ARG A 30 0.457 -13.105 -3.085 1.00 1.53 H new ATOM 0 HB2 ARG A 30 -1.380 -14.789 -1.317 1.00 1.91 H new ATOM 0 HB3 ARG A 30 -0.922 -15.187 -2.961 1.00 1.91 H new ATOM 0 HG2 ARG A 30 1.540 -15.140 -2.107 1.00 2.74 H new ATOM 0 HG3 ARG A 30 0.858 -15.142 -0.493 1.00 2.74 H new ATOM 0 HD2 ARG A 30 0.396 -17.249 -2.661 1.00 3.32 H new ATOM 0 HD3 ARG A 30 1.324 -17.460 -1.190 1.00 3.32 H new ATOM 0 HE ARG A 30 -1.135 -16.741 -0.199 1.00 3.48 H new ATOM 0 HH11 ARG A 30 -0.025 -19.281 -2.406 1.00 4.65 H new ATOM 0 HH12 ARG A 30 -1.416 -20.324 -2.093 1.00 4.65 H new ATOM 0 HH21 ARG A 30 -2.976 -18.042 0.131 1.00 5.36 H new ATOM 0 HH22 ARG A 30 -3.091 -19.621 -0.653 1.00 5.36 H new ATOM 457 N GLY A 31 -2.489 -12.092 -2.014 1.00 0.73 N ATOM 458 CA GLY A 31 -3.755 -11.484 -2.390 1.00 0.84 C ATOM 459 C GLY A 31 -3.609 -10.108 -3.045 1.00 0.63 C ATOM 460 O GLY A 31 -4.597 -9.586 -3.550 1.00 0.67 O ATOM 0 H GLY A 31 -2.321 -12.097 -1.008 1.00 0.73 H new ATOM 0 HA2 GLY A 31 -4.277 -12.150 -3.077 1.00 0.84 H new ATOM 0 HA3 GLY A 31 -4.380 -11.389 -1.502 1.00 0.84 H new ATOM 464 N ILE A 32 -2.426 -9.483 -3.018 1.00 0.61 N ATOM 465 CA ILE A 32 -2.163 -8.296 -3.818 1.00 0.56 C ATOM 466 C ILE A 32 -1.850 -8.761 -5.236 1.00 0.64 C ATOM 467 O ILE A 32 -1.013 -9.640 -5.424 1.00 0.84 O ATOM 468 CB ILE A 32 -1.049 -7.433 -3.178 1.00 0.57 C ATOM 469 CG1 ILE A 32 -1.713 -6.191 -2.571 1.00 0.83 C ATOM 470 CG2 ILE A 32 0.073 -7.015 -4.143 1.00 1.17 C ATOM 471 CD1 ILE A 32 -0.809 -5.504 -1.553 1.00 2.09 C ATOM 0 H ILE A 32 -1.637 -9.786 -2.446 1.00 0.61 H new ATOM 0 HA ILE A 32 -3.032 -7.639 -3.857 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.555 -8.045 -2.424 1.00 0.57 H new ATOM 0 HG12 ILE A 32 -1.964 -5.489 -3.366 1.00 0.83 H new ATOM 0 HG13 ILE A 32 -2.649 -6.477 -2.091 1.00 0.83 H new ATOM 0 HG21 ILE A 32 0.808 -6.414 -3.608 1.00 1.17 H new ATOM 0 HG22 ILE A 32 0.556 -7.905 -4.546 1.00 1.17 H new ATOM 0 HG23 ILE A 32 -0.349 -6.430 -4.960 1.00 1.17 H new ATOM 0 HD11 ILE A 32 -1.317 -4.629 -1.147 1.00 2.09 H new ATOM 0 HD12 ILE A 32 -0.579 -6.198 -0.744 1.00 2.09 H new ATOM 0 HD13 ILE A 32 0.116 -5.193 -2.039 1.00 2.09 H new ATOM 483 N LEU A 33 -2.522 -8.168 -6.225 1.00 0.62 N ATOM 484 CA LEU A 33 -2.264 -8.442 -7.629 1.00 0.71 C ATOM 485 C LEU A 33 -1.387 -7.351 -8.241 1.00 0.77 C ATOM 486 O LEU A 33 -0.668 -7.628 -9.198 1.00 0.99 O ATOM 487 CB LEU A 33 -3.571 -8.727 -8.391 1.00 0.89 C ATOM 488 CG LEU A 33 -4.497 -7.515 -8.588 1.00 1.45 C ATOM 489 CD1 LEU A 33 -4.283 -6.854 -9.955 1.00 2.30 C ATOM 490 CD2 LEU A 33 -5.966 -7.937 -8.455 1.00 2.31 C ATOM 0 H LEU A 33 -3.261 -7.483 -6.068 1.00 0.62 H new ATOM 0 HA LEU A 33 -1.685 -9.361 -7.719 1.00 0.71 H new ATOM 0 HB2 LEU A 33 -3.319 -9.134 -9.371 1.00 0.89 H new ATOM 0 HB3 LEU A 33 -4.122 -9.501 -7.857 1.00 0.89 H new ATOM 0 HG LEU A 33 -4.250 -6.790 -7.812 1.00 1.45 H new ATOM 0 HD11 LEU A 33 -4.955 -6.002 -10.056 1.00 2.30 H new ATOM 0 HD12 LEU A 33 -3.251 -6.514 -10.037 1.00 2.30 H new ATOM 0 HD13 LEU A 33 -4.491 -7.576 -10.745 1.00 2.30 H new ATOM 0 HD21 LEU A 33 -6.608 -7.068 -8.597 1.00 2.31 H new ATOM 0 HD22 LEU A 33 -6.199 -8.688 -9.210 1.00 2.31 H new ATOM 0 HD23 LEU A 33 -6.136 -8.356 -7.463 1.00 2.31 H new ATOM 502 N TYR A 34 -1.408 -6.123 -7.700 1.00 0.66 N ATOM 503 CA TYR A 34 -0.481 -5.087 -8.138 1.00 0.76 C ATOM 504 C TYR A 34 -0.277 -4.030 -7.050 1.00 0.62 C ATOM 505 O TYR A 34 -1.193 -3.749 -6.274 1.00 0.69 O ATOM 506 CB TYR A 34 -0.984 -4.467 -9.447 1.00 0.94 C ATOM 507 CG TYR A 34 -0.045 -3.461 -10.076 1.00 1.08 C ATOM 508 CD1 TYR A 34 1.019 -3.903 -10.883 1.00 1.97 C ATOM 509 CD2 TYR A 34 -0.246 -2.085 -9.871 1.00 2.53 C ATOM 510 CE1 TYR A 34 1.881 -2.969 -11.480 1.00 2.07 C ATOM 511 CE2 TYR A 34 0.606 -1.153 -10.482 1.00 2.68 C ATOM 512 CZ TYR A 34 1.690 -1.596 -11.258 1.00 1.52 C ATOM 513 OH TYR A 34 2.577 -0.699 -11.769 1.00 1.77 O ATOM 0 H TYR A 34 -2.053 -5.832 -6.966 1.00 0.66 H new ATOM 0 HA TYR A 34 0.494 -5.538 -8.323 1.00 0.76 H new ATOM 0 HB2 TYR A 34 -1.169 -5.267 -10.164 1.00 0.94 H new ATOM 0 HB3 TYR A 34 -1.941 -3.981 -9.258 1.00 0.94 H new ATOM 0 HD1 TYR A 34 1.173 -4.960 -11.043 1.00 1.97 H new ATOM 0 HD2 TYR A 34 -1.056 -1.745 -9.243 1.00 2.53 H new ATOM 0 HE1 TYR A 34 2.691 -3.307 -12.110 1.00 2.07 H new ATOM 0 HE2 TYR A 34 0.429 -0.095 -10.356 1.00 2.68 H new ATOM 0 HH TYR A 34 2.983 -0.188 -11.038 1.00 1.77 H new ATOM 523 N CYS A 35 0.918 -3.429 -7.034 1.00 0.66 N ATOM 524 CA CYS A 35 1.311 -2.318 -6.176 1.00 0.55 C ATOM 525 C CYS A 35 1.939 -1.253 -7.063 1.00 0.62 C ATOM 526 O CYS A 35 2.657 -1.598 -8.001 1.00 0.99 O ATOM 527 CB CYS A 35 2.399 -2.748 -5.180 1.00 0.87 C ATOM 528 SG CYS A 35 1.715 -3.649 -3.782 1.00 2.57 S ATOM 0 H CYS A 35 1.673 -3.724 -7.654 1.00 0.66 H new ATOM 0 HA CYS A 35 0.432 -1.965 -5.636 1.00 0.55 H new ATOM 0 HB2 CYS A 35 3.131 -3.373 -5.691 1.00 0.87 H new ATOM 0 HB3 CYS A 35 2.929 -1.866 -4.819 1.00 0.87 H new ATOM 0 HG CYS A 35 2.682 -4.171 -3.087 1.00 2.57 H new ATOM 534 N SER A 36 1.743 0.024 -6.737 1.00 0.49 N ATOM 535 CA SER A 36 2.688 1.080 -7.088 1.00 0.70 C ATOM 536 C SER A 36 2.541 2.195 -6.064 1.00 0.53 C ATOM 537 O SER A 36 1.407 2.552 -5.743 1.00 0.65 O ATOM 538 CB SER A 36 2.423 1.638 -8.491 1.00 1.09 C ATOM 539 OG SER A 36 2.773 0.699 -9.486 1.00 1.84 O ATOM 0 H SER A 36 0.926 0.354 -6.223 1.00 0.49 H new ATOM 0 HA SER A 36 3.697 0.669 -7.086 1.00 0.70 H new ATOM 0 HB2 SER A 36 1.369 1.900 -8.588 1.00 1.09 H new ATOM 0 HB3 SER A 36 2.994 2.555 -8.635 1.00 1.09 H new ATOM 0 HG SER A 36 2.134 -0.044 -9.474 1.00 1.84 H new ATOM 545 N VAL A 37 3.640 2.747 -5.547 1.00 0.55 N ATOM 546 CA VAL A 37 3.585 3.903 -4.671 1.00 0.52 C ATOM 547 C VAL A 37 4.404 5.057 -5.255 1.00 0.59 C ATOM 548 O VAL A 37 5.362 4.833 -5.990 1.00 0.76 O ATOM 549 CB VAL A 37 3.987 3.495 -3.244 1.00 0.72 C ATOM 550 CG1 VAL A 37 3.456 2.103 -2.876 1.00 1.86 C ATOM 551 CG2 VAL A 37 5.500 3.455 -3.039 1.00 1.36 C ATOM 0 H VAL A 37 4.584 2.403 -5.726 1.00 0.55 H new ATOM 0 HA VAL A 37 2.565 4.280 -4.601 1.00 0.52 H new ATOM 0 HB VAL A 37 3.547 4.262 -2.607 1.00 0.72 H new ATOM 0 HG11 VAL A 37 3.762 1.854 -1.860 1.00 1.86 H new ATOM 0 HG12 VAL A 37 2.368 2.101 -2.938 1.00 1.86 H new ATOM 0 HG13 VAL A 37 3.860 1.365 -3.568 1.00 1.86 H new ATOM 0 HG21 VAL A 37 5.720 3.161 -2.013 1.00 1.36 H new ATOM 0 HG22 VAL A 37 5.941 2.733 -3.726 1.00 1.36 H new ATOM 0 HG23 VAL A 37 5.919 4.442 -3.231 1.00 1.36 H new ATOM 561 N ALA A 38 4.017 6.299 -4.950 1.00 0.62 N ATOM 562 CA ALA A 38 4.735 7.487 -5.380 1.00 0.70 C ATOM 563 C ALA A 38 4.869 8.481 -4.235 1.00 0.70 C ATOM 564 O ALA A 38 3.900 8.804 -3.545 1.00 0.69 O ATOM 565 CB ALA A 38 4.047 8.148 -6.569 1.00 0.79 C ATOM 0 H ALA A 38 3.188 6.502 -4.392 1.00 0.62 H new ATOM 0 HA ALA A 38 5.732 7.174 -5.692 1.00 0.70 H new ATOM 0 HB1 ALA A 38 4.608 9.034 -6.867 1.00 0.79 H new ATOM 0 HB2 ALA A 38 4.007 7.446 -7.402 1.00 0.79 H new ATOM 0 HB3 ALA A 38 3.034 8.437 -6.289 1.00 0.79 H new ATOM 571 N LEU A 39 6.092 8.983 -4.064 1.00 0.76 N ATOM 572 CA LEU A 39 6.433 9.960 -3.041 1.00 0.80 C ATOM 573 C LEU A 39 5.805 11.317 -3.358 1.00 0.79 C ATOM 574 O LEU A 39 5.450 12.052 -2.444 1.00 0.79 O ATOM 575 CB LEU A 39 7.951 10.057 -2.832 1.00 1.02 C ATOM 576 CG LEU A 39 8.781 10.228 -4.118 1.00 0.97 C ATOM 577 CD1 LEU A 39 9.890 11.261 -3.892 1.00 1.75 C ATOM 578 CD2 LEU A 39 9.425 8.895 -4.525 1.00 1.65 C ATOM 0 H LEU A 39 6.885 8.714 -4.646 1.00 0.76 H new ATOM 0 HA LEU A 39 6.013 9.618 -2.095 1.00 0.80 H new ATOM 0 HB2 LEU A 39 8.157 10.899 -2.171 1.00 1.02 H new ATOM 0 HB3 LEU A 39 8.289 9.157 -2.318 1.00 1.02 H new ATOM 0 HG LEU A 39 8.113 10.565 -4.911 1.00 0.97 H new ATOM 0 HD11 LEU A 39 10.472 11.376 -4.806 1.00 1.75 H new ATOM 0 HD12 LEU A 39 9.445 12.219 -3.622 1.00 1.75 H new ATOM 0 HD13 LEU A 39 10.542 10.924 -3.086 1.00 1.75 H new ATOM 0 HD21 LEU A 39 10.007 9.035 -5.436 1.00 1.65 H new ATOM 0 HD22 LEU A 39 10.080 8.548 -3.725 1.00 1.65 H new ATOM 0 HD23 LEU A 39 8.646 8.154 -4.703 1.00 1.65 H new ATOM 590 N ALA A 40 5.607 11.622 -4.646 1.00 0.84 N ATOM 591 CA ALA A 40 5.013 12.868 -5.118 1.00 0.93 C ATOM 592 C ALA A 40 3.714 13.224 -4.388 1.00 0.83 C ATOM 593 O ALA A 40 3.432 14.400 -4.175 1.00 0.93 O ATOM 594 CB ALA A 40 4.770 12.770 -6.627 1.00 1.09 C ATOM 0 H ALA A 40 5.864 10.990 -5.404 1.00 0.84 H new ATOM 0 HA ALA A 40 5.716 13.672 -4.901 1.00 0.93 H new ATOM 0 HB1 ALA A 40 4.326 13.699 -6.985 1.00 1.09 H new ATOM 0 HB2 ALA A 40 5.718 12.600 -7.138 1.00 1.09 H new ATOM 0 HB3 ALA A 40 4.093 11.941 -6.833 1.00 1.09 H new ATOM 600 N THR A 41 2.917 12.214 -4.022 1.00 0.76 N ATOM 601 CA THR A 41 1.700 12.382 -3.232 1.00 0.78 C ATOM 602 C THR A 41 1.758 11.560 -1.937 1.00 0.73 C ATOM 603 O THR A 41 0.738 11.380 -1.276 1.00 0.88 O ATOM 604 CB THR A 41 0.494 11.993 -4.102 1.00 1.03 C ATOM 605 OG1 THR A 41 0.781 10.844 -4.878 1.00 2.24 O ATOM 606 CG2 THR A 41 0.118 13.132 -5.052 1.00 2.06 C ATOM 0 H THR A 41 3.106 11.243 -4.272 1.00 0.76 H new ATOM 0 HA THR A 41 1.600 13.424 -2.928 1.00 0.78 H new ATOM 0 HB THR A 41 -0.336 11.785 -3.427 1.00 1.03 H new ATOM 0 HG1 THR A 41 -0.001 10.613 -5.422 1.00 2.24 H new ATOM 0 HG21 THR A 41 -0.738 12.833 -5.657 1.00 2.06 H new ATOM 0 HG22 THR A 41 -0.139 14.019 -4.473 1.00 2.06 H new ATOM 0 HG23 THR A 41 0.963 13.356 -5.704 1.00 2.06 H new ATOM 614 N ASN A 42 2.946 11.062 -1.577 1.00 0.72 N ATOM 615 CA ASN A 42 3.193 10.117 -0.491 1.00 0.70 C ATOM 616 C ASN A 42 2.096 9.049 -0.444 1.00 0.66 C ATOM 617 O ASN A 42 1.474 8.837 0.595 1.00 0.68 O ATOM 618 CB ASN A 42 3.342 10.848 0.854 1.00 0.77 C ATOM 619 CG ASN A 42 4.435 11.912 0.823 1.00 1.00 C ATOM 620 OD1 ASN A 42 4.139 13.100 0.739 1.00 1.93 O ATOM 621 ND2 ASN A 42 5.704 11.520 0.907 1.00 1.37 N ATOM 0 H ASN A 42 3.804 11.323 -2.063 1.00 0.72 H new ATOM 0 HA ASN A 42 4.137 9.608 -0.685 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.393 11.315 1.117 1.00 0.77 H new ATOM 0 HB3 ASN A 42 3.568 10.122 1.635 1.00 0.77 H new ATOM 0 HD21 ASN A 42 6.453 12.212 0.902 1.00 1.37 H new ATOM 0 HD22 ASN A 42 5.928 10.527 0.976 1.00 1.37 H new ATOM 628 N LYS A 43 1.827 8.393 -1.579 1.00 0.66 N ATOM 629 CA LYS A 43 0.614 7.606 -1.759 1.00 0.63 C ATOM 630 C LYS A 43 0.922 6.263 -2.402 1.00 0.50 C ATOM 631 O LYS A 43 1.750 6.185 -3.306 1.00 0.60 O ATOM 632 CB LYS A 43 -0.401 8.436 -2.556 1.00 0.91 C ATOM 633 CG LYS A 43 -1.725 7.715 -2.847 1.00 1.92 C ATOM 634 CD LYS A 43 -1.761 7.125 -4.264 1.00 1.52 C ATOM 635 CE LYS A 43 -1.789 8.229 -5.338 1.00 1.33 C ATOM 636 NZ LYS A 43 -2.823 7.979 -6.366 1.00 1.53 N ATOM 0 H LYS A 43 2.444 8.396 -2.391 1.00 0.66 H new ATOM 0 HA LYS A 43 0.172 7.372 -0.790 1.00 0.63 H new ATOM 0 HB2 LYS A 43 -0.614 9.352 -2.005 1.00 0.91 H new ATOM 0 HB3 LYS A 43 0.053 8.731 -3.502 1.00 0.91 H new ATOM 0 HG2 LYS A 43 -1.871 6.917 -2.119 1.00 1.92 H new ATOM 0 HG3 LYS A 43 -2.553 8.414 -2.724 1.00 1.92 H new ATOM 0 HD2 LYS A 43 -0.888 6.490 -4.417 1.00 1.52 H new ATOM 0 HD3 LYS A 43 -2.640 6.489 -4.372 1.00 1.52 H new ATOM 0 HE2 LYS A 43 -1.976 9.192 -4.863 1.00 1.33 H new ATOM 0 HE3 LYS A 43 -0.812 8.294 -5.816 1.00 1.33 H new ATOM 0 HZ1 LYS A 43 -2.687 8.635 -7.162 1.00 1.53 H new ATOM 0 HZ2 LYS A 43 -2.744 7.000 -6.707 1.00 1.53 H new ATOM 0 HZ3 LYS A 43 -3.766 8.127 -5.953 1.00 1.53 H new ATOM 650 N ALA A 44 0.239 5.218 -1.925 1.00 0.45 N ATOM 651 CA ALA A 44 0.325 3.851 -2.405 1.00 0.47 C ATOM 652 C ALA A 44 -1.012 3.449 -3.009 1.00 0.47 C ATOM 653 O ALA A 44 -2.051 3.614 -2.370 1.00 0.58 O ATOM 654 CB ALA A 44 0.703 2.930 -1.243 1.00 0.52 C ATOM 0 H ALA A 44 -0.421 5.317 -1.154 1.00 0.45 H new ATOM 0 HA ALA A 44 1.092 3.767 -3.175 1.00 0.47 H new ATOM 0 HB1 ALA A 44 0.769 1.902 -1.600 1.00 0.52 H new ATOM 0 HB2 ALA A 44 1.667 3.235 -0.836 1.00 0.52 H new ATOM 0 HB3 ALA A 44 -0.057 2.996 -0.464 1.00 0.52 H new ATOM 660 N HIS A 45 -0.969 2.936 -4.240 1.00 0.45 N ATOM 661 CA HIS A 45 -2.033 2.344 -4.977 1.00 0.49 C ATOM 662 C HIS A 45 -1.862 0.838 -4.811 1.00 0.41 C ATOM 663 O HIS A 45 -0.804 0.310 -5.163 1.00 0.54 O ATOM 664 CB HIS A 45 -1.776 2.767 -6.421 1.00 0.86 C ATOM 665 CG HIS A 45 -2.874 2.348 -7.323 1.00 0.86 C ATOM 666 ND1 HIS A 45 -3.926 3.151 -7.653 1.00 2.07 N ATOM 667 CD2 HIS A 45 -3.150 1.069 -7.717 1.00 1.06 C ATOM 668 CE1 HIS A 45 -4.825 2.368 -8.253 1.00 2.81 C ATOM 669 NE2 HIS A 45 -4.402 1.094 -8.338 1.00 2.08 N ATOM 0 H HIS A 45 -0.100 2.936 -4.774 1.00 0.45 H new ATOM 0 HA HIS A 45 -3.037 2.632 -4.665 1.00 0.49 H new ATOM 0 HB2 HIS A 45 -1.662 3.850 -6.467 1.00 0.86 H new ATOM 0 HB3 HIS A 45 -0.838 2.332 -6.765 1.00 0.86 H new ATOM 0 HD1 HIS A 45 -4.009 4.152 -7.476 1.00 2.07 H new ATOM 0 HD2 HIS A 45 -2.520 0.203 -7.575 1.00 1.06 H new ATOM 0 HE1 HIS A 45 -5.777 2.715 -8.625 1.00 2.81 H new ATOM 677 N ILE A 46 -2.878 0.158 -4.278 1.00 0.47 N ATOM 678 CA ILE A 46 -2.864 -1.285 -4.107 1.00 0.50 C ATOM 679 C ILE A 46 -4.076 -1.873 -4.820 1.00 0.53 C ATOM 680 O ILE A 46 -5.188 -1.353 -4.708 1.00 0.77 O ATOM 681 CB ILE A 46 -2.773 -1.642 -2.609 1.00 0.51 C ATOM 682 CG1 ILE A 46 -1.281 -1.726 -2.248 1.00 0.88 C ATOM 683 CG2 ILE A 46 -3.477 -2.973 -2.306 1.00 0.90 C ATOM 684 CD1 ILE A 46 -0.995 -1.695 -0.747 1.00 1.63 C ATOM 0 H ILE A 46 -3.737 0.601 -3.952 1.00 0.47 H new ATOM 0 HA ILE A 46 -1.980 -1.730 -4.564 1.00 0.50 H new ATOM 0 HB ILE A 46 -3.274 -0.879 -2.013 1.00 0.51 H new ATOM 0 HG12 ILE A 46 -0.869 -2.645 -2.666 1.00 0.88 H new ATOM 0 HG13 ILE A 46 -0.757 -0.897 -2.723 1.00 0.88 H new ATOM 0 HG21 ILE A 46 -3.394 -3.195 -1.242 1.00 0.90 H new ATOM 0 HG22 ILE A 46 -4.529 -2.899 -2.580 1.00 0.90 H new ATOM 0 HG23 ILE A 46 -3.008 -3.772 -2.881 1.00 0.90 H new ATOM 0 HD11 ILE A 46 0.080 -1.759 -0.580 1.00 1.63 H new ATOM 0 HD12 ILE A 46 -1.374 -0.765 -0.324 1.00 1.63 H new ATOM 0 HD13 ILE A 46 -1.488 -2.540 -0.265 1.00 1.63 H new ATOM 696 N LYS A 47 -3.833 -2.949 -5.572 1.00 0.47 N ATOM 697 CA LYS A 47 -4.828 -3.689 -6.319 1.00 0.53 C ATOM 698 C LYS A 47 -4.747 -5.127 -5.823 1.00 0.58 C ATOM 699 O LYS A 47 -3.639 -5.657 -5.693 1.00 0.59 O ATOM 700 CB LYS A 47 -4.535 -3.578 -7.818 1.00 0.65 C ATOM 701 CG LYS A 47 -4.036 -2.169 -8.178 1.00 0.61 C ATOM 702 CD LYS A 47 -4.040 -1.942 -9.694 1.00 0.97 C ATOM 703 CE LYS A 47 -5.452 -1.642 -10.217 1.00 1.54 C ATOM 704 NZ LYS A 47 -5.438 -1.235 -11.636 1.00 2.40 N ATOM 0 H LYS A 47 -2.895 -3.337 -5.675 1.00 0.47 H new ATOM 0 HA LYS A 47 -5.835 -3.300 -6.171 1.00 0.53 H new ATOM 0 HB2 LYS A 47 -3.785 -4.317 -8.102 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -5.437 -3.805 -8.386 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.668 -1.424 -7.696 1.00 0.61 H new ATOM 0 HG3 LYS A 47 -3.027 -2.029 -7.791 1.00 0.61 H new ATOM 0 HD2 LYS A 47 -3.377 -1.113 -9.940 1.00 0.97 H new ATOM 0 HD3 LYS A 47 -3.646 -2.826 -10.196 1.00 0.97 H new ATOM 0 HE2 LYS A 47 -6.078 -2.526 -10.099 1.00 1.54 H new ATOM 0 HE3 LYS A 47 -5.901 -0.851 -9.617 1.00 1.54 H new ATOM 0 HZ1 LYS A 47 -6.410 -1.041 -11.951 1.00 2.40 H new ATOM 0 HZ2 LYS A 47 -4.861 -0.377 -11.745 1.00 2.40 H new ATOM 0 HZ3 LYS A 47 -5.033 -2.000 -12.213 1.00 2.40 H new ATOM 718 N TYR A 48 -5.883 -5.732 -5.479 1.00 1.19 N ATOM 719 CA TYR A 48 -5.893 -6.883 -4.595 1.00 1.05 C ATOM 720 C TYR A 48 -7.200 -7.667 -4.683 1.00 0.96 C ATOM 721 O TYR A 48 -8.161 -7.193 -5.280 1.00 1.28 O ATOM 722 CB TYR A 48 -5.674 -6.394 -3.155 1.00 1.05 C ATOM 723 CG TYR A 48 -6.828 -5.583 -2.586 1.00 1.14 C ATOM 724 CD1 TYR A 48 -7.013 -4.242 -2.972 1.00 2.31 C ATOM 725 CD2 TYR A 48 -7.737 -6.173 -1.685 1.00 1.95 C ATOM 726 CE1 TYR A 48 -8.087 -3.500 -2.454 1.00 2.51 C ATOM 727 CE2 TYR A 48 -8.750 -5.400 -1.096 1.00 2.05 C ATOM 728 CZ TYR A 48 -8.940 -4.069 -1.496 1.00 1.66 C ATOM 729 OH TYR A 48 -9.942 -3.328 -0.946 1.00 1.97 O ATOM 0 H TYR A 48 -6.805 -5.440 -5.802 1.00 1.19 H new ATOM 0 HA TYR A 48 -5.094 -7.559 -4.901 1.00 1.05 H new ATOM 0 HB2 TYR A 48 -5.501 -7.258 -2.513 1.00 1.05 H new ATOM 0 HB3 TYR A 48 -4.769 -5.787 -3.124 1.00 1.05 H new ATOM 0 HD1 TYR A 48 -6.327 -3.783 -3.668 1.00 2.31 H new ATOM 0 HD2 TYR A 48 -7.654 -7.223 -1.447 1.00 1.95 H new ATOM 0 HE1 TYR A 48 -8.257 -2.489 -2.794 1.00 2.51 H new ATOM 0 HE2 TYR A 48 -9.383 -5.830 -0.334 1.00 2.05 H new ATOM 0 HH TYR A 48 -10.438 -3.875 -0.302 1.00 1.97 H new ATOM 739 N ASP A 49 -7.228 -8.837 -4.042 1.00 0.64 N ATOM 740 CA ASP A 49 -8.363 -9.751 -3.997 1.00 0.73 C ATOM 741 C ASP A 49 -9.032 -9.668 -2.616 1.00 0.83 C ATOM 742 O ASP A 49 -8.535 -10.258 -1.650 1.00 0.98 O ATOM 743 CB ASP A 49 -7.891 -11.176 -4.318 1.00 0.81 C ATOM 744 CG ASP A 49 -7.770 -11.379 -5.821 1.00 1.66 C ATOM 745 OD1 ASP A 49 -8.839 -11.543 -6.448 1.00 2.80 O ATOM 746 OD2 ASP A 49 -6.624 -11.341 -6.318 1.00 2.36 O ATOM 0 H ASP A 49 -6.424 -9.185 -3.519 1.00 0.64 H new ATOM 0 HA ASP A 49 -9.103 -9.470 -4.746 1.00 0.73 H new ATOM 0 HB2 ASP A 49 -6.928 -11.361 -3.843 1.00 0.81 H new ATOM 0 HB3 ASP A 49 -8.594 -11.899 -3.904 1.00 0.81 H new ATOM 751 N PRO A 50 -10.153 -8.936 -2.489 1.00 0.93 N ATOM 752 CA PRO A 50 -10.738 -8.585 -1.202 1.00 1.16 C ATOM 753 C PRO A 50 -11.325 -9.783 -0.455 1.00 1.33 C ATOM 754 O PRO A 50 -11.633 -9.658 0.728 1.00 2.37 O ATOM 755 CB PRO A 50 -11.811 -7.534 -1.512 1.00 1.41 C ATOM 756 CG PRO A 50 -12.232 -7.873 -2.939 1.00 1.36 C ATOM 757 CD PRO A 50 -10.922 -8.340 -3.569 1.00 1.06 C ATOM 0 HA PRO A 50 -9.970 -8.203 -0.529 1.00 1.16 H new ATOM 0 HB2 PRO A 50 -12.650 -7.599 -0.819 1.00 1.41 H new ATOM 0 HB3 PRO A 50 -11.415 -6.521 -1.439 1.00 1.41 H new ATOM 0 HG2 PRO A 50 -12.994 -8.652 -2.963 1.00 1.36 H new ATOM 0 HG3 PRO A 50 -12.645 -7.007 -3.457 1.00 1.36 H new ATOM 0 HD2 PRO A 50 -11.106 -9.063 -4.363 1.00 1.06 H new ATOM 0 HD3 PRO A 50 -10.384 -7.505 -4.017 1.00 1.06 H new ATOM 765 N GLU A 51 -11.490 -10.934 -1.117 1.00 1.07 N ATOM 766 CA GLU A 51 -11.975 -12.147 -0.480 1.00 1.15 C ATOM 767 C GLU A 51 -11.153 -12.499 0.765 1.00 0.97 C ATOM 768 O GLU A 51 -11.721 -12.944 1.762 1.00 1.54 O ATOM 769 CB GLU A 51 -12.001 -13.308 -1.485 1.00 1.46 C ATOM 770 CG GLU A 51 -10.737 -13.433 -2.348 1.00 2.26 C ATOM 771 CD GLU A 51 -10.637 -14.833 -2.942 1.00 3.17 C ATOM 772 OE1 GLU A 51 -11.569 -15.192 -3.694 1.00 3.05 O ATOM 773 OE2 GLU A 51 -9.655 -15.525 -2.600 1.00 4.63 O ATOM 0 H GLU A 51 -11.288 -11.043 -2.111 1.00 1.07 H new ATOM 0 HA GLU A 51 -12.996 -11.966 -0.144 1.00 1.15 H new ATOM 0 HB2 GLU A 51 -12.147 -14.240 -0.940 1.00 1.46 H new ATOM 0 HB3 GLU A 51 -12.863 -13.184 -2.141 1.00 1.46 H new ATOM 0 HG2 GLU A 51 -10.760 -12.692 -3.147 1.00 2.26 H new ATOM 0 HG3 GLU A 51 -9.854 -13.223 -1.744 1.00 2.26 H new ATOM 780 N ILE A 52 -9.829 -12.318 0.705 1.00 0.62 N ATOM 781 CA ILE A 52 -8.927 -12.686 1.785 1.00 0.74 C ATOM 782 C ILE A 52 -8.152 -11.489 2.318 1.00 0.75 C ATOM 783 O ILE A 52 -8.185 -11.244 3.526 1.00 1.16 O ATOM 784 CB ILE A 52 -8.052 -13.895 1.398 1.00 1.04 C ATOM 785 CG1 ILE A 52 -7.037 -13.636 0.268 1.00 1.04 C ATOM 786 CG2 ILE A 52 -8.943 -15.092 1.035 1.00 1.90 C ATOM 787 CD1 ILE A 52 -5.622 -13.450 0.829 1.00 1.70 C ATOM 0 H ILE A 52 -9.357 -11.909 -0.102 1.00 0.62 H new ATOM 0 HA ILE A 52 -9.527 -13.021 2.631 1.00 0.74 H new ATOM 0 HB ILE A 52 -7.451 -14.108 2.282 1.00 1.04 H new ATOM 0 HG12 ILE A 52 -7.047 -14.471 -0.432 1.00 1.04 H new ATOM 0 HG13 ILE A 52 -7.330 -12.747 -0.291 1.00 1.04 H new ATOM 0 HG21 ILE A 52 -8.317 -15.942 0.763 1.00 1.90 H new ATOM 0 HG22 ILE A 52 -9.563 -15.357 1.892 1.00 1.90 H new ATOM 0 HG23 ILE A 52 -9.582 -14.828 0.193 1.00 1.90 H new ATOM 0 HD11 ILE A 52 -4.927 -13.269 0.009 1.00 1.70 H new ATOM 0 HD12 ILE A 52 -5.610 -12.599 1.510 1.00 1.70 H new ATOM 0 HD13 ILE A 52 -5.323 -14.350 1.367 1.00 1.70 H new ATOM 799 N ILE A 53 -7.446 -10.745 1.461 1.00 0.82 N ATOM 800 CA ILE A 53 -6.567 -9.685 1.931 1.00 0.99 C ATOM 801 C ILE A 53 -7.417 -8.429 2.141 1.00 0.88 C ATOM 802 O ILE A 53 -8.032 -7.924 1.204 1.00 1.07 O ATOM 803 CB ILE A 53 -5.348 -9.545 0.997 1.00 1.07 C ATOM 804 CG1 ILE A 53 -4.120 -8.944 1.692 1.00 1.40 C ATOM 805 CG2 ILE A 53 -5.611 -8.823 -0.323 1.00 0.99 C ATOM 806 CD1 ILE A 53 -4.316 -7.517 2.192 1.00 1.84 C ATOM 0 H ILE A 53 -7.469 -10.860 0.448 1.00 0.82 H new ATOM 0 HA ILE A 53 -6.116 -9.908 2.898 1.00 0.99 H new ATOM 0 HB ILE A 53 -5.131 -10.581 0.736 1.00 1.07 H new ATOM 0 HG12 ILE A 53 -3.849 -9.578 2.536 1.00 1.40 H new ATOM 0 HG13 ILE A 53 -3.280 -8.961 0.998 1.00 1.40 H new ATOM 0 HG21 ILE A 53 -4.690 -8.779 -0.904 1.00 0.99 H new ATOM 0 HG22 ILE A 53 -6.371 -9.363 -0.888 1.00 0.99 H new ATOM 0 HG23 ILE A 53 -5.961 -7.811 -0.121 1.00 0.99 H new ATOM 0 HD11 ILE A 53 -3.400 -7.170 2.670 1.00 1.84 H new ATOM 0 HD12 ILE A 53 -4.556 -6.866 1.351 1.00 1.84 H new ATOM 0 HD13 ILE A 53 -5.133 -7.493 2.913 1.00 1.84 H new ATOM 818 N GLY A 54 -7.504 -7.961 3.387 1.00 0.78 N ATOM 819 CA GLY A 54 -8.314 -6.816 3.765 1.00 0.78 C ATOM 820 C GLY A 54 -7.437 -5.581 3.961 1.00 0.71 C ATOM 821 O GLY A 54 -6.234 -5.706 4.195 1.00 0.77 O ATOM 0 H GLY A 54 -7.002 -8.379 4.171 1.00 0.78 H new ATOM 0 HA2 GLY A 54 -9.060 -6.621 2.995 1.00 0.78 H new ATOM 0 HA3 GLY A 54 -8.856 -7.034 4.685 1.00 0.78 H new ATOM 825 N PRO A 55 -8.033 -4.376 3.938 1.00 0.71 N ATOM 826 CA PRO A 55 -7.318 -3.133 4.189 1.00 0.67 C ATOM 827 C PRO A 55 -6.523 -3.216 5.492 1.00 0.64 C ATOM 828 O PRO A 55 -5.392 -2.745 5.559 1.00 0.62 O ATOM 829 CB PRO A 55 -8.380 -2.027 4.207 1.00 0.74 C ATOM 830 CG PRO A 55 -9.686 -2.770 4.487 1.00 0.81 C ATOM 831 CD PRO A 55 -9.462 -4.131 3.827 1.00 0.80 C ATOM 0 HA PRO A 55 -6.577 -2.924 3.417 1.00 0.67 H new ATOM 0 HB2 PRO A 55 -8.170 -1.285 4.978 1.00 0.74 H new ATOM 0 HB3 PRO A 55 -8.419 -1.496 3.256 1.00 0.74 H new ATOM 0 HG2 PRO A 55 -9.873 -2.867 5.556 1.00 0.81 H new ATOM 0 HG3 PRO A 55 -10.544 -2.251 4.059 1.00 0.81 H new ATOM 0 HD2 PRO A 55 -10.036 -4.911 4.328 1.00 0.80 H new ATOM 0 HD3 PRO A 55 -9.780 -4.121 2.785 1.00 0.80 H new ATOM 839 N ARG A 56 -7.104 -3.868 6.503 1.00 0.71 N ATOM 840 CA ARG A 56 -6.446 -4.192 7.758 1.00 0.83 C ATOM 841 C ARG A 56 -5.009 -4.707 7.531 1.00 0.74 C ATOM 842 O ARG A 56 -4.074 -4.196 8.135 1.00 0.69 O ATOM 843 CB ARG A 56 -7.336 -5.174 8.556 1.00 1.07 C ATOM 844 CG ARG A 56 -7.234 -6.590 7.981 1.00 3.20 C ATOM 845 CD ARG A 56 -8.238 -7.652 8.428 1.00 4.09 C ATOM 846 NE ARG A 56 -7.801 -8.913 7.801 1.00 6.15 N ATOM 847 CZ ARG A 56 -8.465 -9.629 6.884 1.00 7.60 C ATOM 848 NH1 ARG A 56 -9.802 -9.666 6.881 1.00 7.51 N ATOM 849 NH2 ARG A 56 -7.769 -10.286 5.958 1.00 9.48 N ATOM 0 H ARG A 56 -8.071 -4.191 6.464 1.00 0.71 H new ATOM 0 HA ARG A 56 -6.329 -3.289 8.357 1.00 0.83 H new ATOM 0 HB2 ARG A 56 -7.032 -5.179 9.603 1.00 1.07 H new ATOM 0 HB3 ARG A 56 -8.373 -4.838 8.527 1.00 1.07 H new ATOM 0 HG2 ARG A 56 -7.304 -6.509 6.896 1.00 3.20 H new ATOM 0 HG3 ARG A 56 -6.236 -6.965 8.209 1.00 3.20 H new ATOM 0 HD2 ARG A 56 -8.254 -7.741 9.514 1.00 4.09 H new ATOM 0 HD3 ARG A 56 -9.249 -7.390 8.115 1.00 4.09 H new ATOM 0 HE ARG A 56 -6.896 -9.279 8.097 1.00 6.15 H new ATOM 0 HH11 ARG A 56 -10.328 -9.145 7.583 1.00 7.51 H new ATOM 0 HH12 ARG A 56 -10.295 -10.215 6.177 1.00 7.51 H new ATOM 0 HH21 ARG A 56 -6.750 -10.238 5.956 1.00 9.48 H new ATOM 0 HH22 ARG A 56 -8.255 -10.837 5.250 1.00 9.48 H new ATOM 863 N ASP A 57 -4.810 -5.721 6.678 1.00 0.81 N ATOM 864 CA ASP A 57 -3.543 -6.440 6.601 1.00 0.79 C ATOM 865 C ASP A 57 -2.484 -5.553 5.943 1.00 0.75 C ATOM 866 O ASP A 57 -1.325 -5.516 6.370 1.00 0.84 O ATOM 867 CB ASP A 57 -3.685 -7.788 5.878 1.00 0.94 C ATOM 868 CG ASP A 57 -4.943 -8.579 6.198 1.00 1.35 C ATOM 869 OD1 ASP A 57 -5.144 -8.960 7.369 1.00 2.50 O ATOM 870 OD2 ASP A 57 -5.733 -8.825 5.261 1.00 2.22 O ATOM 0 H ASP A 57 -5.520 -6.060 6.029 1.00 0.81 H new ATOM 0 HA ASP A 57 -3.221 -6.674 7.616 1.00 0.79 H new ATOM 0 HB2 ASP A 57 -3.655 -7.608 4.803 1.00 0.94 H new ATOM 0 HB3 ASP A 57 -2.819 -8.403 6.122 1.00 0.94 H new ATOM 875 N ILE A 58 -2.905 -4.827 4.900 1.00 0.65 N ATOM 876 CA ILE A 58 -2.105 -3.776 4.284 1.00 0.56 C ATOM 877 C ILE A 58 -1.664 -2.825 5.389 1.00 0.52 C ATOM 878 O ILE A 58 -0.477 -2.589 5.589 1.00 0.54 O ATOM 879 CB ILE A 58 -2.916 -2.992 3.231 1.00 0.54 C ATOM 880 CG1 ILE A 58 -3.461 -3.908 2.126 1.00 0.49 C ATOM 881 CG2 ILE A 58 -2.070 -1.849 2.641 1.00 0.61 C ATOM 882 CD1 ILE A 58 -4.402 -3.134 1.202 1.00 1.55 C ATOM 0 H ILE A 58 -3.817 -4.958 4.461 1.00 0.65 H new ATOM 0 HA ILE A 58 -1.250 -4.224 3.777 1.00 0.56 H new ATOM 0 HB ILE A 58 -3.779 -2.558 3.735 1.00 0.54 H new ATOM 0 HG12 ILE A 58 -2.634 -4.322 1.548 1.00 0.49 H new ATOM 0 HG13 ILE A 58 -3.991 -4.750 2.572 1.00 0.49 H new ATOM 0 HG21 ILE A 58 -2.657 -1.307 1.900 1.00 0.61 H new ATOM 0 HG22 ILE A 58 -1.773 -1.168 3.438 1.00 0.61 H new ATOM 0 HG23 ILE A 58 -1.180 -2.263 2.166 1.00 0.61 H new ATOM 0 HD11 ILE A 58 -4.778 -3.800 0.425 1.00 1.55 H new ATOM 0 HD12 ILE A 58 -5.239 -2.742 1.780 1.00 1.55 H new ATOM 0 HD13 ILE A 58 -3.861 -2.308 0.741 1.00 1.55 H new ATOM 894 N ILE A 59 -2.638 -2.269 6.104 1.00 0.53 N ATOM 895 CA ILE A 59 -2.389 -1.263 7.114 1.00 0.53 C ATOM 896 C ILE A 59 -1.387 -1.787 8.143 1.00 0.54 C ATOM 897 O ILE A 59 -0.376 -1.131 8.379 1.00 0.55 O ATOM 898 CB ILE A 59 -3.733 -0.793 7.694 1.00 0.58 C ATOM 899 CG1 ILE A 59 -4.397 0.157 6.685 1.00 0.60 C ATOM 900 CG2 ILE A 59 -3.610 -0.169 9.093 1.00 0.64 C ATOM 901 CD1 ILE A 59 -5.888 0.321 6.954 1.00 0.63 C ATOM 0 H ILE A 59 -3.623 -2.509 5.994 1.00 0.53 H new ATOM 0 HA ILE A 59 -1.917 -0.378 6.688 1.00 0.53 H new ATOM 0 HB ILE A 59 -4.368 -1.666 7.844 1.00 0.58 H new ATOM 0 HG12 ILE A 59 -3.911 1.132 6.730 1.00 0.60 H new ATOM 0 HG13 ILE A 59 -4.250 -0.226 5.675 1.00 0.60 H new ATOM 0 HG21 ILE A 59 -4.595 0.140 9.441 1.00 0.64 H new ATOM 0 HG22 ILE A 59 -3.195 -0.903 9.784 1.00 0.64 H new ATOM 0 HG23 ILE A 59 -2.952 0.699 9.048 1.00 0.64 H new ATOM 0 HD11 ILE A 59 -6.318 1.000 6.218 1.00 0.63 H new ATOM 0 HD12 ILE A 59 -6.379 -0.649 6.883 1.00 0.63 H new ATOM 0 HD13 ILE A 59 -6.035 0.729 7.954 1.00 0.63 H new ATOM 913 N HIS A 60 -1.616 -3.001 8.659 1.00 0.61 N ATOM 914 CA HIS A 60 -0.753 -3.649 9.639 1.00 0.71 C ATOM 915 C HIS A 60 0.667 -3.714 9.083 1.00 0.54 C ATOM 916 O HIS A 60 1.650 -3.415 9.760 1.00 0.51 O ATOM 917 CB HIS A 60 -1.250 -5.069 9.951 1.00 1.09 C ATOM 918 CG HIS A 60 -2.651 -5.179 10.506 1.00 1.54 C ATOM 919 ND1 HIS A 60 -3.451 -6.296 10.414 1.00 3.51 N ATOM 920 CD2 HIS A 60 -3.367 -4.210 11.162 1.00 1.12 C ATOM 921 CE1 HIS A 60 -4.622 -6.005 11.004 1.00 3.54 C ATOM 922 NE2 HIS A 60 -4.623 -4.748 11.473 1.00 1.95 N ATOM 0 H HIS A 60 -2.424 -3.567 8.398 1.00 0.61 H new ATOM 0 HA HIS A 60 -0.769 -3.070 10.563 1.00 0.71 H new ATOM 0 HB2 HIS A 60 -1.197 -5.659 9.036 1.00 1.09 H new ATOM 0 HB3 HIS A 60 -0.562 -5.524 10.664 1.00 1.09 H new ATOM 0 HD2 HIS A 60 -3.025 -3.213 11.396 1.00 1.12 H new ATOM 0 HE1 HIS A 60 -5.452 -6.691 11.089 1.00 3.54 H new ATOM 0 HE2 HIS A 60 -5.386 -4.277 11.959 1.00 1.95 H new ATOM 930 N THR A 61 0.765 -4.107 7.815 1.00 0.56 N ATOM 931 CA THR A 61 2.048 -4.210 7.144 1.00 0.63 C ATOM 932 C THR A 61 2.718 -2.827 7.058 1.00 0.58 C ATOM 933 O THR A 61 3.909 -2.695 7.337 1.00 0.68 O ATOM 934 CB THR A 61 1.842 -4.888 5.782 1.00 0.78 C ATOM 935 OG1 THR A 61 1.376 -6.217 5.964 1.00 0.97 O ATOM 936 CG2 THR A 61 3.134 -4.939 4.965 1.00 0.97 C ATOM 0 H THR A 61 -0.035 -4.359 7.234 1.00 0.56 H new ATOM 0 HA THR A 61 2.737 -4.834 7.713 1.00 0.63 H new ATOM 0 HB THR A 61 1.108 -4.293 5.239 1.00 0.78 H new ATOM 0 HG1 THR A 61 0.410 -6.205 6.129 1.00 0.97 H new ATOM 0 HG21 THR A 61 2.941 -5.427 4.009 1.00 0.97 H new ATOM 0 HG22 THR A 61 3.493 -3.925 4.789 1.00 0.97 H new ATOM 0 HG23 THR A 61 3.889 -5.501 5.514 1.00 0.97 H new ATOM 944 N ILE A 62 1.976 -1.788 6.670 1.00 0.53 N ATOM 945 CA ILE A 62 2.538 -0.466 6.428 1.00 0.57 C ATOM 946 C ILE A 62 2.975 0.184 7.748 1.00 0.56 C ATOM 947 O ILE A 62 4.053 0.780 7.817 1.00 0.65 O ATOM 948 CB ILE A 62 1.534 0.401 5.647 1.00 0.66 C ATOM 949 CG1 ILE A 62 1.209 -0.153 4.245 1.00 0.77 C ATOM 950 CG2 ILE A 62 2.065 1.830 5.516 1.00 0.80 C ATOM 951 CD1 ILE A 62 2.269 0.130 3.177 1.00 1.48 C ATOM 0 H ILE A 62 0.969 -1.844 6.516 1.00 0.53 H new ATOM 0 HA ILE A 62 3.432 -0.560 5.812 1.00 0.57 H new ATOM 0 HB ILE A 62 0.607 0.388 6.220 1.00 0.66 H new ATOM 0 HG12 ILE A 62 1.069 -1.231 4.320 1.00 0.77 H new ATOM 0 HG13 ILE A 62 0.260 0.269 3.915 1.00 0.77 H new ATOM 0 HG21 ILE A 62 1.348 2.435 4.962 1.00 0.80 H new ATOM 0 HG22 ILE A 62 2.210 2.257 6.508 1.00 0.80 H new ATOM 0 HG23 ILE A 62 3.016 1.817 4.984 1.00 0.80 H new ATOM 0 HD11 ILE A 62 1.951 -0.298 2.226 1.00 1.48 H new ATOM 0 HD12 ILE A 62 2.395 1.207 3.066 1.00 1.48 H new ATOM 0 HD13 ILE A 62 3.217 -0.317 3.477 1.00 1.48 H new ATOM 963 N GLU A 63 2.165 0.066 8.803 1.00 0.51 N ATOM 964 CA GLU A 63 2.561 0.575 10.107 1.00 0.53 C ATOM 965 C GLU A 63 3.794 -0.171 10.610 1.00 0.56 C ATOM 966 O GLU A 63 4.741 0.448 11.083 1.00 0.61 O ATOM 967 CB GLU A 63 1.397 0.555 11.098 1.00 0.65 C ATOM 968 CG GLU A 63 0.863 -0.823 11.483 1.00 2.02 C ATOM 969 CD GLU A 63 -0.390 -0.697 12.337 1.00 2.23 C ATOM 970 OE1 GLU A 63 -0.227 -0.355 13.526 1.00 3.01 O ATOM 971 OE2 GLU A 63 -1.484 -0.930 11.780 1.00 2.98 O ATOM 0 H GLU A 63 1.244 -0.372 8.776 1.00 0.51 H new ATOM 0 HA GLU A 63 2.839 1.624 10.007 1.00 0.53 H new ATOM 0 HB2 GLU A 63 1.712 1.067 12.007 1.00 0.65 H new ATOM 0 HB3 GLU A 63 0.577 1.134 10.675 1.00 0.65 H new ATOM 0 HG2 GLU A 63 0.639 -1.396 10.583 1.00 2.02 H new ATOM 0 HG3 GLU A 63 1.628 -1.375 12.030 1.00 2.02 H new ATOM 978 N SER A 64 3.810 -1.497 10.447 1.00 0.57 N ATOM 979 CA SER A 64 5.000 -2.295 10.736 1.00 0.59 C ATOM 980 C SER A 64 6.232 -1.783 9.974 1.00 0.65 C ATOM 981 O SER A 64 7.307 -1.683 10.560 1.00 0.82 O ATOM 982 CB SER A 64 4.763 -3.783 10.463 1.00 0.61 C ATOM 983 OG SER A 64 3.722 -4.279 11.279 1.00 1.63 O ATOM 0 H SER A 64 3.011 -2.038 10.116 1.00 0.57 H new ATOM 0 HA SER A 64 5.204 -2.182 11.801 1.00 0.59 H new ATOM 0 HB2 SER A 64 4.510 -3.930 9.413 1.00 0.61 H new ATOM 0 HB3 SER A 64 5.679 -4.343 10.652 1.00 0.61 H new ATOM 0 HG SER A 64 2.866 -4.182 10.812 1.00 1.63 H new ATOM 989 N LEU A 65 6.105 -1.468 8.678 1.00 0.61 N ATOM 990 CA LEU A 65 7.202 -0.845 7.932 1.00 0.69 C ATOM 991 C LEU A 65 7.581 0.510 8.536 1.00 0.73 C ATOM 992 O LEU A 65 8.763 0.839 8.608 1.00 1.02 O ATOM 993 CB LEU A 65 6.858 -0.673 6.446 1.00 0.73 C ATOM 994 CG LEU A 65 6.810 -1.992 5.663 1.00 0.79 C ATOM 995 CD1 LEU A 65 6.278 -1.715 4.252 1.00 0.99 C ATOM 996 CD2 LEU A 65 8.198 -2.640 5.561 1.00 1.17 C ATOM 0 H LEU A 65 5.261 -1.633 8.130 1.00 0.61 H new ATOM 0 HA LEU A 65 8.056 -1.518 8.008 1.00 0.69 H new ATOM 0 HB2 LEU A 65 5.891 -0.176 6.362 1.00 0.73 H new ATOM 0 HB3 LEU A 65 7.595 -0.015 5.986 1.00 0.73 H new ATOM 0 HG LEU A 65 6.154 -2.681 6.194 1.00 0.79 H new ATOM 0 HD11 LEU A 65 6.240 -2.647 3.688 1.00 0.99 H new ATOM 0 HD12 LEU A 65 5.276 -1.290 4.318 1.00 0.99 H new ATOM 0 HD13 LEU A 65 6.938 -1.011 3.746 1.00 0.99 H new ATOM 0 HD21 LEU A 65 8.124 -3.572 5.000 1.00 1.17 H new ATOM 0 HD22 LEU A 65 8.880 -1.961 5.049 1.00 1.17 H new ATOM 0 HD23 LEU A 65 8.577 -2.848 6.562 1.00 1.17 H new ATOM 1008 N GLY A 66 6.582 1.286 8.958 1.00 0.62 N ATOM 1009 CA GLY A 66 6.770 2.537 9.678 1.00 0.68 C ATOM 1010 C GLY A 66 6.292 3.732 8.863 1.00 0.67 C ATOM 1011 O GLY A 66 6.937 4.779 8.880 1.00 0.82 O ATOM 0 H GLY A 66 5.601 1.054 8.803 1.00 0.62 H new ATOM 0 HA2 GLY A 66 6.226 2.499 10.622 1.00 0.68 H new ATOM 0 HA3 GLY A 66 7.825 2.661 9.923 1.00 0.68 H new ATOM 1015 N PHE A 67 5.151 3.594 8.178 1.00 0.55 N ATOM 1016 CA PHE A 67 4.475 4.711 7.524 1.00 0.53 C ATOM 1017 C PHE A 67 3.015 4.722 7.986 1.00 0.54 C ATOM 1018 O PHE A 67 2.543 3.707 8.488 1.00 0.62 O ATOM 1019 CB PHE A 67 4.588 4.569 5.998 1.00 0.53 C ATOM 1020 CG PHE A 67 5.961 4.165 5.485 1.00 0.52 C ATOM 1021 CD1 PHE A 67 7.069 5.001 5.717 1.00 1.78 C ATOM 1022 CD2 PHE A 67 6.149 2.928 4.837 1.00 1.75 C ATOM 1023 CE1 PHE A 67 8.345 4.630 5.260 1.00 1.76 C ATOM 1024 CE2 PHE A 67 7.427 2.554 4.386 1.00 1.80 C ATOM 1025 CZ PHE A 67 8.521 3.411 4.583 1.00 0.60 C ATOM 0 H PHE A 67 4.672 2.701 8.064 1.00 0.55 H new ATOM 0 HA PHE A 67 4.940 5.659 7.795 1.00 0.53 H new ATOM 0 HB2 PHE A 67 3.861 3.829 5.663 1.00 0.53 H new ATOM 0 HB3 PHE A 67 4.311 5.518 5.539 1.00 0.53 H new ATOM 0 HD1 PHE A 67 6.938 5.932 6.249 1.00 1.78 H new ATOM 0 HD2 PHE A 67 5.309 2.266 4.686 1.00 1.75 H new ATOM 0 HE1 PHE A 67 9.190 5.281 5.429 1.00 1.76 H new ATOM 0 HE2 PHE A 67 7.567 1.606 3.887 1.00 1.80 H new ATOM 0 HZ PHE A 67 9.498 3.134 4.215 1.00 0.60 H new ATOM 1035 N GLU A 68 2.292 5.835 7.824 1.00 0.54 N ATOM 1036 CA GLU A 68 0.897 5.949 8.231 1.00 0.55 C ATOM 1037 C GLU A 68 -0.024 5.684 7.031 1.00 0.53 C ATOM 1038 O GLU A 68 -0.163 6.580 6.196 1.00 0.57 O ATOM 1039 CB GLU A 68 0.643 7.371 8.733 1.00 0.66 C ATOM 1040 CG GLU A 68 1.566 7.846 9.861 1.00 1.01 C ATOM 1041 CD GLU A 68 1.299 9.315 10.149 1.00 1.67 C ATOM 1042 OE1 GLU A 68 0.112 9.644 10.371 1.00 2.14 O ATOM 1043 OE2 GLU A 68 2.251 10.112 10.032 1.00 2.68 O ATOM 0 H GLU A 68 2.666 6.686 7.403 1.00 0.54 H new ATOM 0 HA GLU A 68 0.692 5.221 9.016 1.00 0.55 H new ATOM 0 HB2 GLU A 68 0.742 8.058 7.892 1.00 0.66 H new ATOM 0 HB3 GLU A 68 -0.389 7.437 9.079 1.00 0.66 H new ATOM 0 HG2 GLU A 68 1.396 7.252 10.759 1.00 1.01 H new ATOM 0 HG3 GLU A 68 2.609 7.704 9.577 1.00 1.01 H new ATOM 1050 N PRO A 69 -0.667 4.509 6.910 1.00 0.57 N ATOM 1051 CA PRO A 69 -1.496 4.166 5.760 1.00 0.59 C ATOM 1052 C PRO A 69 -2.855 4.863 5.846 1.00 0.59 C ATOM 1053 O PRO A 69 -3.881 4.258 6.158 1.00 1.02 O ATOM 1054 CB PRO A 69 -1.629 2.644 5.806 1.00 0.72 C ATOM 1055 CG PRO A 69 -1.603 2.363 7.305 1.00 0.79 C ATOM 1056 CD PRO A 69 -0.635 3.404 7.855 1.00 0.71 C ATOM 0 HA PRO A 69 -1.058 4.494 4.818 1.00 0.59 H new ATOM 0 HB2 PRO A 69 -2.555 2.302 5.344 1.00 0.72 H new ATOM 0 HB3 PRO A 69 -0.810 2.148 5.285 1.00 0.72 H new ATOM 0 HG2 PRO A 69 -2.594 2.465 7.748 1.00 0.79 H new ATOM 0 HG3 PRO A 69 -1.262 1.349 7.516 1.00 0.79 H new ATOM 0 HD2 PRO A 69 -0.936 3.731 8.850 1.00 0.71 H new ATOM 0 HD3 PRO A 69 0.371 2.994 7.945 1.00 0.71 H new ATOM 1064 N SER A 70 -2.878 6.153 5.530 1.00 0.56 N ATOM 1065 CA SER A 70 -4.083 6.953 5.628 1.00 0.62 C ATOM 1066 C SER A 70 -4.958 6.655 4.410 1.00 0.54 C ATOM 1067 O SER A 70 -4.808 7.299 3.373 1.00 0.57 O ATOM 1068 CB SER A 70 -3.698 8.432 5.722 1.00 0.77 C ATOM 1069 OG SER A 70 -2.759 8.622 6.764 1.00 1.69 O ATOM 0 H SER A 70 -2.062 6.668 5.200 1.00 0.56 H new ATOM 0 HA SER A 70 -4.653 6.708 6.524 1.00 0.62 H new ATOM 0 HB2 SER A 70 -3.275 8.767 4.775 1.00 0.77 H new ATOM 0 HB3 SER A 70 -4.586 9.037 5.907 1.00 0.77 H new ATOM 0 HG SER A 70 -3.227 8.650 7.625 1.00 1.69 H new ATOM 1075 N LEU A 71 -5.842 5.658 4.528 1.00 0.71 N ATOM 1076 CA LEU A 71 -6.719 5.156 3.470 1.00 0.86 C ATOM 1077 C LEU A 71 -7.789 6.156 2.993 1.00 1.04 C ATOM 1078 O LEU A 71 -8.980 5.838 2.951 1.00 1.73 O ATOM 1079 CB LEU A 71 -7.312 3.793 3.881 1.00 1.33 C ATOM 1080 CG LEU A 71 -8.273 3.770 5.092 1.00 1.32 C ATOM 1081 CD1 LEU A 71 -9.025 2.433 5.090 1.00 1.74 C ATOM 1082 CD2 LEU A 71 -7.561 3.938 6.441 1.00 2.61 C ATOM 0 H LEU A 71 -5.970 5.157 5.407 1.00 0.71 H new ATOM 0 HA LEU A 71 -6.096 5.015 2.587 1.00 0.86 H new ATOM 0 HB2 LEU A 71 -7.844 3.384 3.022 1.00 1.33 H new ATOM 0 HB3 LEU A 71 -6.484 3.117 4.095 1.00 1.33 H new ATOM 0 HG LEU A 71 -8.949 4.618 4.985 1.00 1.32 H new ATOM 0 HD11 LEU A 71 -9.708 2.399 5.938 1.00 1.74 H new ATOM 0 HD12 LEU A 71 -9.591 2.335 4.164 1.00 1.74 H new ATOM 0 HD13 LEU A 71 -8.310 1.614 5.166 1.00 1.74 H new ATOM 0 HD21 LEU A 71 -8.296 3.912 7.246 1.00 2.61 H new ATOM 0 HD22 LEU A 71 -6.845 3.128 6.578 1.00 2.61 H new ATOM 0 HD23 LEU A 71 -7.036 4.893 6.459 1.00 2.61 H new ATOM 1094 N VAL A 72 -7.360 7.332 2.531 1.00 1.08 N ATOM 1095 CA VAL A 72 -8.191 8.451 2.118 1.00 1.31 C ATOM 1096 C VAL A 72 -7.958 8.671 0.622 1.00 1.24 C ATOM 1097 O VAL A 72 -7.039 9.374 0.214 1.00 2.75 O ATOM 1098 CB VAL A 72 -7.829 9.687 2.959 1.00 2.42 C ATOM 1099 CG1 VAL A 72 -8.737 10.874 2.616 1.00 3.20 C ATOM 1100 CG2 VAL A 72 -7.953 9.396 4.462 1.00 3.66 C ATOM 0 H VAL A 72 -6.365 7.535 2.432 1.00 1.08 H new ATOM 0 HA VAL A 72 -9.251 8.255 2.280 1.00 1.31 H new ATOM 0 HB VAL A 72 -6.795 9.936 2.722 1.00 2.42 H new ATOM 0 HG11 VAL A 72 -8.458 11.733 3.226 1.00 3.20 H new ATOM 0 HG12 VAL A 72 -8.624 11.125 1.561 1.00 3.20 H new ATOM 0 HG13 VAL A 72 -9.775 10.608 2.817 1.00 3.20 H new ATOM 0 HG21 VAL A 72 -7.690 10.289 5.028 1.00 3.66 H new ATOM 0 HG22 VAL A 72 -8.978 9.108 4.693 1.00 3.66 H new ATOM 0 HG23 VAL A 72 -7.278 8.584 4.732 1.00 3.66 H new ATOM 1110 N LYS A 73 -8.795 8.027 -0.188 1.00 1.04 N ATOM 1111 CA LYS A 73 -8.799 8.132 -1.637 1.00 1.42 C ATOM 1112 C LYS A 73 -9.739 9.280 -2.016 1.00 2.19 C ATOM 1113 O LYS A 73 -10.956 9.116 -1.960 1.00 3.18 O ATOM 1114 CB LYS A 73 -9.197 6.782 -2.271 1.00 2.00 C ATOM 1115 CG LYS A 73 -10.379 6.057 -1.601 1.00 2.68 C ATOM 1116 CD LYS A 73 -9.930 5.118 -0.464 1.00 4.09 C ATOM 1117 CE LYS A 73 -11.111 4.826 0.475 1.00 5.53 C ATOM 1118 NZ LYS A 73 -10.681 4.145 1.714 1.00 7.14 N ATOM 0 H LYS A 73 -9.514 7.395 0.164 1.00 1.04 H new ATOM 0 HA LYS A 73 -7.806 8.357 -2.025 1.00 1.42 H new ATOM 0 HB2 LYS A 73 -9.444 6.952 -3.319 1.00 2.00 H new ATOM 0 HB3 LYS A 73 -8.330 6.122 -2.251 1.00 2.00 H new ATOM 0 HG2 LYS A 73 -11.076 6.795 -1.204 1.00 2.68 H new ATOM 0 HG3 LYS A 73 -10.919 5.480 -2.352 1.00 2.68 H new ATOM 0 HD2 LYS A 73 -9.547 4.186 -0.881 1.00 4.09 H new ATOM 0 HD3 LYS A 73 -9.114 5.576 0.096 1.00 4.09 H new ATOM 0 HE2 LYS A 73 -11.610 5.761 0.730 1.00 5.53 H new ATOM 0 HE3 LYS A 73 -11.842 4.206 -0.044 1.00 5.53 H new ATOM 0 HZ1 LYS A 73 -11.431 4.223 2.431 1.00 7.14 H new ATOM 0 HZ2 LYS A 73 -10.497 3.141 1.513 1.00 7.14 H new ATOM 0 HZ3 LYS A 73 -9.812 4.591 2.072 1.00 7.14 H new ATOM 1132 N ILE A 74 -9.180 10.447 -2.342 1.00 3.18 N ATOM 1133 CA ILE A 74 -9.916 11.654 -2.699 1.00 4.35 C ATOM 1134 C ILE A 74 -9.164 12.367 -3.824 1.00 5.42 C ATOM 1135 O ILE A 74 -8.082 11.923 -4.214 1.00 6.01 O ATOM 1136 CB ILE A 74 -10.095 12.568 -1.465 1.00 5.79 C ATOM 1137 CG1 ILE A 74 -8.736 13.000 -0.879 1.00 7.25 C ATOM 1138 CG2 ILE A 74 -10.980 11.885 -0.412 1.00 6.30 C ATOM 1139 CD1 ILE A 74 -8.880 14.010 0.263 1.00 9.03 C ATOM 0 H ILE A 74 -8.169 10.579 -2.364 1.00 3.18 H new ATOM 0 HA ILE A 74 -10.915 11.394 -3.048 1.00 4.35 H new ATOM 0 HB ILE A 74 -10.602 13.478 -1.787 1.00 5.79 H new ATOM 0 HG12 ILE A 74 -8.205 12.120 -0.516 1.00 7.25 H new ATOM 0 HG13 ILE A 74 -8.126 13.436 -1.670 1.00 7.25 H new ATOM 0 HG21 ILE A 74 -11.095 12.543 0.449 1.00 6.30 H new ATOM 0 HG22 ILE A 74 -11.960 11.675 -0.841 1.00 6.30 H new ATOM 0 HG23 ILE A 74 -10.515 10.951 -0.096 1.00 6.30 H new ATOM 0 HD11 ILE A 74 -7.892 14.279 0.638 1.00 9.03 H new ATOM 0 HD12 ILE A 74 -9.385 14.904 -0.103 1.00 9.03 H new ATOM 0 HD13 ILE A 74 -9.465 13.567 1.069 1.00 9.03 H new ATOM 1151 N GLU A 75 -9.724 13.474 -4.305 1.00 6.45 N ATOM 1152 CA GLU A 75 -9.148 14.398 -5.257 1.00 8.02 C ATOM 1153 C GLU A 75 -9.697 15.771 -4.859 1.00 8.56 C ATOM 1154 O GLU A 75 -10.635 15.772 -4.023 1.00 8.45 O ATOM 1155 CB GLU A 75 -9.518 13.991 -6.693 1.00 8.86 C ATOM 1156 CG GLU A 75 -11.003 13.629 -6.886 1.00 8.98 C ATOM 1157 CD GLU A 75 -11.343 13.275 -8.330 1.00 10.14 C ATOM 1158 OE1 GLU A 75 -10.395 13.122 -9.132 1.00 11.07 O ATOM 1159 OE2 GLU A 75 -12.555 13.146 -8.607 1.00 10.46 O ATOM 1160 OXT GLU A 75 -9.155 16.782 -5.356 1.00 9.40 O ATOM 0 H GLU A 75 -10.658 13.762 -4.014 1.00 6.45 H new ATOM 0 HA GLU A 75 -8.058 14.406 -5.240 1.00 8.02 H new ATOM 0 HB2 GLU A 75 -9.265 14.810 -7.367 1.00 8.86 H new ATOM 0 HB3 GLU A 75 -8.907 13.137 -6.985 1.00 8.86 H new ATOM 0 HG2 GLU A 75 -11.253 12.786 -6.242 1.00 8.98 H new ATOM 0 HG3 GLU A 75 -11.621 14.468 -6.567 1.00 8.98 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.068 6.132 1.674 1.00 0.75 CU