USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 591 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 27 THR OG1 : rot -173:sc= 1.29 USER MOD Set 1.2: A 35 CYS SG : rot 109:sc= -1.16 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= -0.32 USER MOD Set 2.3: A 43 LYS NZ :NH3+ 179:sc= 0.889 (180deg=1.17) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 148:sc= 1.75 (180deg=1.27) USER MOD Set 3.2: A 29 HIS : no HE2:sc= 0.705 K(o=2.5,f=-8.6!) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -1.22 K(o=-0.46,f=-10!) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 166:sc= 0.761 (180deg=0.565) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.25 (180deg=1.09) USER MOD Single : A 13 MET CE :methyl 167:sc= -0.565 (180deg=-1.17) USER MOD Single : A 14 THR OG1 : rot -13:sc= 0.416 USER MOD Single : A 17 SER OG : rot 98:sc= 0.425 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 130:sc= 0 USER MOD Single : A 41 THR OG1 : rot 170:sc= -0.323 USER MOD Single : A 42 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.017) USER MOD Single : A 45 HIS : no HE2:sc= -0.702 K(o=-0.7,f=-3.9!) 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 HE2:sc= -1.67! C(o=-1.7!,f=-5.2!) USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.763 USER MOD Single : A 64 SER OG : rot -21:sc= 0.0664 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.469 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.883 -20.031 -0.079 1.00 7.12 N ATOM 2 CA MET A 1 -3.831 -20.817 -0.749 1.00 6.68 C ATOM 3 C MET A 1 -2.747 -19.817 -1.131 1.00 6.06 C ATOM 4 O MET A 1 -2.077 -19.312 -0.236 1.00 6.85 O ATOM 5 CB MET A 1 -4.384 -21.611 -1.949 1.00 6.48 C ATOM 6 CG MET A 1 -5.303 -22.768 -1.532 1.00 7.27 C ATOM 7 SD MET A 1 -4.538 -24.005 -0.453 1.00 8.71 S ATOM 8 CE MET A 1 -5.917 -25.152 -0.243 1.00 9.41 C ATOM 0 H1 MET A 1 -5.687 -20.650 0.148 1.00 7.12 H new ATOM 0 H2 MET A 1 -4.504 -19.620 0.798 1.00 7.12 H new ATOM 0 H3 MET A 1 -5.201 -19.268 -0.710 1.00 7.12 H new ATOM 0 HA MET A 1 -3.420 -21.585 -0.094 1.00 6.68 H new ATOM 0 HB2 MET A 1 -4.935 -20.934 -2.602 1.00 6.48 H new ATOM 0 HB3 MET A 1 -3.551 -22.007 -2.530 1.00 6.48 H new ATOM 0 HG2 MET A 1 -6.174 -22.355 -1.024 1.00 7.27 H new ATOM 0 HG3 MET A 1 -5.665 -23.267 -2.431 1.00 7.27 H new ATOM 0 HE1 MET A 1 -5.610 -25.977 0.400 1.00 9.41 H new ATOM 0 HE2 MET A 1 -6.758 -24.630 0.214 1.00 9.41 H new ATOM 0 HE3 MET A 1 -6.217 -25.542 -1.216 1.00 9.41 H new ATOM 20 N GLY A 2 -2.729 -19.369 -2.389 1.00 5.21 N ATOM 21 CA GLY A 2 -2.554 -17.943 -2.613 1.00 4.67 C ATOM 22 C GLY A 2 -3.705 -17.216 -1.908 1.00 4.01 C ATOM 23 O GLY A 2 -4.728 -17.841 -1.598 1.00 4.68 O ATOM 0 H GLY A 2 -2.828 -19.944 -3.226 1.00 5.21 H new ATOM 0 HA2 GLY A 2 -1.593 -17.609 -2.221 1.00 4.67 H new ATOM 0 HA3 GLY A 2 -2.557 -17.720 -3.680 1.00 4.67 H new ATOM 27 N ASP A 3 -3.533 -15.929 -1.616 1.00 3.44 N ATOM 28 CA ASP A 3 -4.543 -15.084 -1.000 1.00 2.94 C ATOM 29 C ASP A 3 -4.279 -13.664 -1.494 1.00 1.41 C ATOM 30 O ASP A 3 -3.233 -13.419 -2.095 1.00 2.23 O ATOM 31 CB ASP A 3 -4.471 -15.188 0.531 1.00 4.24 C ATOM 32 CG ASP A 3 -5.750 -14.694 1.194 1.00 4.23 C ATOM 33 OD1 ASP A 3 -6.009 -13.471 1.102 1.00 4.19 O ATOM 34 OD2 ASP A 3 -6.466 -15.551 1.750 1.00 5.16 O ATOM 0 H ASP A 3 -2.662 -15.435 -1.808 1.00 3.44 H new ATOM 0 HA ASP A 3 -5.551 -15.394 -1.275 1.00 2.94 H new ATOM 0 HB2 ASP A 3 -4.291 -16.224 0.816 1.00 4.24 H new ATOM 0 HB3 ASP A 3 -3.625 -14.605 0.895 1.00 4.24 H new ATOM 39 N GLY A 4 -5.220 -12.755 -1.257 1.00 1.47 N ATOM 40 CA GLY A 4 -5.168 -11.372 -1.675 1.00 2.40 C ATOM 41 C GLY A 4 -5.225 -10.382 -0.511 1.00 2.05 C ATOM 42 O GLY A 4 -5.153 -9.181 -0.757 1.00 1.88 O ATOM 0 H GLY A 4 -6.074 -12.980 -0.746 1.00 1.47 H new ATOM 0 HA2 GLY A 4 -4.250 -11.205 -2.239 1.00 2.40 H new ATOM 0 HA3 GLY A 4 -5.999 -11.173 -2.352 1.00 2.40 H new ATOM 46 N VAL A 5 -5.364 -10.828 0.743 1.00 2.33 N ATOM 47 CA VAL A 5 -5.301 -9.933 1.898 1.00 2.12 C ATOM 48 C VAL A 5 -3.833 -9.652 2.236 1.00 2.09 C ATOM 49 O VAL A 5 -3.054 -10.596 2.357 1.00 2.35 O ATOM 50 CB VAL A 5 -6.044 -10.564 3.089 1.00 2.15 C ATOM 51 CG1 VAL A 5 -5.991 -9.642 4.314 1.00 2.44 C ATOM 52 CG2 VAL A 5 -7.511 -10.843 2.734 1.00 3.87 C ATOM 0 H VAL A 5 -5.521 -11.807 0.981 1.00 2.33 H new ATOM 0 HA VAL A 5 -5.789 -8.986 1.667 1.00 2.12 H new ATOM 0 HB VAL A 5 -5.546 -11.505 3.323 1.00 2.15 H new ATOM 0 HG11 VAL A 5 -6.522 -10.108 5.144 1.00 2.44 H new ATOM 0 HG12 VAL A 5 -4.952 -9.473 4.598 1.00 2.44 H new ATOM 0 HG13 VAL A 5 -6.461 -8.689 4.072 1.00 2.44 H new ATOM 0 HG21 VAL A 5 -8.014 -11.289 3.592 1.00 3.87 H new ATOM 0 HG22 VAL A 5 -8.005 -9.908 2.468 1.00 3.87 H new ATOM 0 HG23 VAL A 5 -7.557 -11.530 1.889 1.00 3.87 H new ATOM 62 N LEU A 6 -3.435 -8.378 2.386 1.00 2.01 N ATOM 63 CA LEU A 6 -2.041 -8.027 2.621 1.00 1.97 C ATOM 64 C LEU A 6 -1.954 -6.730 3.435 1.00 1.58 C ATOM 65 O LEU A 6 -2.490 -5.700 3.026 1.00 1.68 O ATOM 66 CB LEU A 6 -1.391 -7.907 1.237 1.00 2.23 C ATOM 67 CG LEU A 6 0.136 -7.804 1.165 1.00 2.15 C ATOM 68 CD1 LEU A 6 0.712 -6.534 1.793 1.00 2.63 C ATOM 69 CD2 LEU A 6 0.833 -9.047 1.730 1.00 3.17 C ATOM 0 H LEU A 6 -4.067 -7.578 2.347 1.00 2.01 H new ATOM 0 HA LEU A 6 -1.516 -8.780 3.209 1.00 1.97 H new ATOM 0 HB2 LEU A 6 -1.695 -8.773 0.649 1.00 2.23 H new ATOM 0 HB3 LEU A 6 -1.808 -7.027 0.747 1.00 2.23 H new ATOM 0 HG LEU A 6 0.350 -7.742 0.098 1.00 2.15 H new ATOM 0 HD11 LEU A 6 1.798 -6.542 1.699 1.00 2.63 H new ATOM 0 HD12 LEU A 6 0.310 -5.660 1.281 1.00 2.63 H new ATOM 0 HD13 LEU A 6 0.440 -6.494 2.848 1.00 2.63 H new ATOM 0 HD21 LEU A 6 1.913 -8.924 1.656 1.00 3.17 H new ATOM 0 HD22 LEU A 6 0.554 -9.177 2.776 1.00 3.17 H new ATOM 0 HD23 LEU A 6 0.528 -9.925 1.161 1.00 3.17 H new ATOM 81 N GLU A 7 -1.283 -6.770 4.589 1.00 1.27 N ATOM 82 CA GLU A 7 -1.012 -5.617 5.437 1.00 1.02 C ATOM 83 C GLU A 7 0.480 -5.278 5.438 1.00 1.08 C ATOM 84 O GLU A 7 1.323 -6.092 5.832 1.00 1.40 O ATOM 85 CB GLU A 7 -1.553 -5.785 6.870 1.00 1.02 C ATOM 86 CG GLU A 7 -2.006 -7.202 7.226 1.00 2.52 C ATOM 87 CD GLU A 7 -0.851 -8.184 7.265 1.00 4.09 C ATOM 88 OE1 GLU A 7 -0.518 -8.739 6.192 1.00 5.39 O ATOM 89 OE2 GLU A 7 -0.177 -8.285 8.312 1.00 4.90 O ATOM 0 H GLU A 7 -0.903 -7.638 4.967 1.00 1.27 H new ATOM 0 HA GLU A 7 -1.555 -4.776 5.005 1.00 1.02 H new ATOM 0 HB2 GLU A 7 -0.778 -5.480 7.573 1.00 1.02 H new ATOM 0 HB3 GLU A 7 -2.394 -5.105 7.007 1.00 1.02 H new ATOM 0 HG2 GLU A 7 -2.502 -7.189 8.197 1.00 2.52 H new ATOM 0 HG3 GLU A 7 -2.742 -7.540 6.496 1.00 2.52 H new ATOM 96 N LEU A 8 0.782 -4.044 5.030 1.00 0.97 N ATOM 97 CA LEU A 8 2.066 -3.398 5.259 1.00 0.98 C ATOM 98 C LEU A 8 1.888 -2.379 6.385 1.00 1.10 C ATOM 99 O LEU A 8 0.766 -1.938 6.629 1.00 1.37 O ATOM 100 CB LEU A 8 2.521 -2.675 3.982 1.00 1.17 C ATOM 101 CG LEU A 8 2.584 -3.557 2.726 1.00 1.38 C ATOM 102 CD1 LEU A 8 2.888 -2.677 1.510 1.00 1.88 C ATOM 103 CD2 LEU A 8 3.656 -4.644 2.855 1.00 2.83 C ATOM 0 H LEU A 8 0.122 -3.457 4.520 1.00 0.97 H new ATOM 0 HA LEU A 8 2.818 -4.140 5.529 1.00 0.98 H new ATOM 0 HB2 LEU A 8 1.842 -1.844 3.791 1.00 1.17 H new ATOM 0 HB3 LEU A 8 3.508 -2.246 4.157 1.00 1.17 H new ATOM 0 HG LEU A 8 1.620 -4.051 2.605 1.00 1.38 H new ATOM 0 HD11 LEU A 8 2.934 -3.297 0.615 1.00 1.88 H new ATOM 0 HD12 LEU A 8 2.101 -1.931 1.395 1.00 1.88 H new ATOM 0 HD13 LEU A 8 3.845 -2.176 1.654 1.00 1.88 H new ATOM 0 HD21 LEU A 8 3.672 -5.249 1.948 1.00 2.83 H new ATOM 0 HD22 LEU A 8 4.631 -4.178 2.998 1.00 2.83 H new ATOM 0 HD23 LEU A 8 3.429 -5.280 3.711 1.00 2.83 H new ATOM 115 N VAL A 9 2.983 -1.957 7.023 1.00 1.04 N ATOM 116 CA VAL A 9 3.096 -0.610 7.555 1.00 1.02 C ATOM 117 C VAL A 9 3.578 0.266 6.401 1.00 1.02 C ATOM 118 O VAL A 9 4.375 -0.189 5.580 1.00 1.23 O ATOM 119 CB VAL A 9 4.032 -0.566 8.784 1.00 1.01 C ATOM 120 CG1 VAL A 9 4.949 0.663 8.827 1.00 1.04 C ATOM 121 CG2 VAL A 9 3.198 -0.547 10.071 1.00 0.99 C ATOM 0 H VAL A 9 3.806 -2.539 7.181 1.00 1.04 H new ATOM 0 HA VAL A 9 2.139 -0.241 7.926 1.00 1.02 H new ATOM 0 HB VAL A 9 4.657 -1.455 8.703 1.00 1.01 H new ATOM 0 HG11 VAL A 9 5.574 0.620 9.719 1.00 1.04 H new ATOM 0 HG12 VAL A 9 5.583 0.675 7.940 1.00 1.04 H new ATOM 0 HG13 VAL A 9 4.343 1.569 8.852 1.00 1.04 H new ATOM 0 HG21 VAL A 9 3.862 -0.516 10.935 1.00 0.99 H new ATOM 0 HG22 VAL A 9 2.556 0.334 10.075 1.00 0.99 H new ATOM 0 HG23 VAL A 9 2.582 -1.445 10.119 1.00 0.99 H new ATOM 131 N VAL A 10 3.096 1.506 6.328 1.00 0.86 N ATOM 132 CA VAL A 10 3.492 2.510 5.378 1.00 0.86 C ATOM 133 C VAL A 10 3.648 3.809 6.172 1.00 0.92 C ATOM 134 O VAL A 10 2.918 4.020 7.141 1.00 1.31 O ATOM 135 CB VAL A 10 2.437 2.554 4.263 1.00 0.96 C ATOM 136 CG1 VAL A 10 1.029 2.853 4.783 1.00 2.44 C ATOM 137 CG2 VAL A 10 2.822 3.591 3.221 1.00 1.68 C ATOM 0 H VAL A 10 2.380 1.842 6.972 1.00 0.86 H new ATOM 0 HA VAL A 10 4.440 2.313 4.878 1.00 0.86 H new ATOM 0 HB VAL A 10 2.413 1.559 3.818 1.00 0.96 H new ATOM 0 HG11 VAL A 10 0.329 2.871 3.948 1.00 2.44 H new ATOM 0 HG12 VAL A 10 0.730 2.079 5.490 1.00 2.44 H new ATOM 0 HG13 VAL A 10 1.024 3.822 5.282 1.00 2.44 H new ATOM 0 HG21 VAL A 10 2.067 3.614 2.435 1.00 1.68 H new ATOM 0 HG22 VAL A 10 2.887 4.572 3.691 1.00 1.68 H new ATOM 0 HG23 VAL A 10 3.788 3.331 2.789 1.00 1.68 H new ATOM 147 N ARG A 11 4.612 4.660 5.814 1.00 0.89 N ATOM 148 CA ARG A 11 4.873 5.913 6.511 1.00 1.08 C ATOM 149 C ARG A 11 5.343 6.976 5.516 1.00 0.90 C ATOM 150 O ARG A 11 5.701 6.652 4.382 1.00 1.14 O ATOM 151 CB ARG A 11 5.870 5.692 7.660 1.00 1.38 C ATOM 152 CG ARG A 11 7.269 5.311 7.158 1.00 1.60 C ATOM 153 CD ARG A 11 8.231 5.030 8.318 1.00 1.82 C ATOM 154 NE ARG A 11 9.616 4.983 7.824 1.00 3.26 N ATOM 155 CZ ARG A 11 10.648 4.310 8.355 1.00 4.16 C ATOM 156 NH1 ARG A 11 10.495 3.667 9.518 1.00 4.18 N ATOM 157 NH2 ARG A 11 11.828 4.282 7.728 1.00 5.89 N ATOM 0 H ARG A 11 5.237 4.494 5.025 1.00 0.89 H new ATOM 0 HA ARG A 11 3.951 6.279 6.963 1.00 1.08 H new ATOM 0 HB2 ARG A 11 5.937 6.601 8.258 1.00 1.38 H new ATOM 0 HB3 ARG A 11 5.496 4.905 8.315 1.00 1.38 H new ATOM 0 HG2 ARG A 11 7.199 4.429 6.521 1.00 1.60 H new ATOM 0 HG3 ARG A 11 7.667 6.118 6.543 1.00 1.60 H new ATOM 0 HD2 ARG A 11 8.134 5.805 9.078 1.00 1.82 H new ATOM 0 HD3 ARG A 11 7.974 4.084 8.793 1.00 1.82 H new ATOM 0 HE ARG A 11 9.814 5.524 6.982 1.00 3.26 H new ATOM 0 HH11 ARG A 11 9.596 3.689 9.999 1.00 4.18 H new ATOM 0 HH12 ARG A 11 11.278 3.154 9.924 1.00 4.18 H new ATOM 0 HH21 ARG A 11 11.947 4.774 6.842 1.00 5.89 H new ATOM 0 HH22 ARG A 11 12.610 3.769 8.135 1.00 5.89 H new ATOM 171 N GLY A 12 5.315 8.239 5.952 1.00 0.85 N ATOM 172 CA GLY A 12 5.598 9.404 5.127 1.00 0.78 C ATOM 173 C GLY A 12 4.316 10.176 4.808 1.00 0.75 C ATOM 174 O GLY A 12 4.384 11.293 4.298 1.00 1.09 O ATOM 0 H GLY A 12 5.088 8.480 6.917 1.00 0.85 H new ATOM 0 HA2 GLY A 12 6.301 10.057 5.644 1.00 0.78 H new ATOM 0 HA3 GLY A 12 6.077 9.090 4.200 1.00 0.78 H new ATOM 178 N MET A 13 3.143 9.606 5.119 1.00 0.88 N ATOM 179 CA MET A 13 1.868 10.252 4.845 1.00 0.94 C ATOM 180 C MET A 13 1.644 11.405 5.817 1.00 0.87 C ATOM 181 O MET A 13 0.912 11.274 6.797 1.00 1.22 O ATOM 182 CB MET A 13 0.688 9.273 4.902 1.00 1.37 C ATOM 183 CG MET A 13 0.894 8.004 4.078 1.00 0.90 C ATOM 184 SD MET A 13 1.715 6.637 4.934 1.00 2.10 S ATOM 185 CE MET A 13 0.612 6.381 6.344 1.00 1.55 C ATOM 0 H MET A 13 3.060 8.692 5.564 1.00 0.88 H new ATOM 0 HA MET A 13 1.915 10.637 3.826 1.00 0.94 H new ATOM 0 HB2 MET A 13 0.510 8.995 5.941 1.00 1.37 H new ATOM 0 HB3 MET A 13 -0.210 9.781 4.550 1.00 1.37 H new ATOM 0 HG2 MET A 13 -0.079 7.658 3.729 1.00 0.90 H new ATOM 0 HG3 MET A 13 1.478 8.258 3.194 1.00 0.90 H new ATOM 0 HE1 MET A 13 0.854 5.435 6.829 1.00 1.55 H new ATOM 0 HE2 MET A 13 0.737 7.196 7.057 1.00 1.55 H new ATOM 0 HE3 MET A 13 -0.421 6.357 5.998 1.00 1.55 H new ATOM 195 N THR A 14 2.280 12.541 5.554 1.00 0.76 N ATOM 196 CA THR A 14 2.178 13.692 6.434 1.00 0.89 C ATOM 197 C THR A 14 0.756 14.272 6.517 1.00 0.93 C ATOM 198 O THR A 14 0.514 15.053 7.437 1.00 1.28 O ATOM 199 CB THR A 14 3.247 14.742 6.090 1.00 0.99 C ATOM 200 OG1 THR A 14 3.186 15.824 6.999 1.00 1.64 O ATOM 201 CG2 THR A 14 3.135 15.261 4.658 1.00 1.09 C ATOM 0 H THR A 14 2.872 12.687 4.736 1.00 0.76 H new ATOM 0 HA THR A 14 2.385 13.343 7.446 1.00 0.89 H new ATOM 0 HB THR A 14 4.211 14.241 6.175 1.00 0.99 H new ATOM 0 HG1 THR A 14 2.350 15.776 7.509 1.00 1.64 H new ATOM 0 HG21 THR A 14 3.916 15.999 4.476 1.00 1.09 H new ATOM 0 HG22 THR A 14 3.250 14.431 3.960 1.00 1.09 H new ATOM 0 HG23 THR A 14 2.159 15.724 4.514 1.00 1.09 H new ATOM 209 N CYS A 15 -0.170 13.941 5.602 1.00 0.67 N ATOM 210 CA CYS A 15 -1.551 14.411 5.662 1.00 0.61 C ATOM 211 C CYS A 15 -2.444 13.594 4.722 1.00 0.56 C ATOM 212 O CYS A 15 -1.962 12.755 3.960 1.00 0.57 O ATOM 213 CB CYS A 15 -1.599 15.905 5.312 1.00 0.65 C ATOM 214 SG CYS A 15 -1.051 16.285 3.630 1.00 0.68 S ATOM 0 H CYS A 15 0.025 13.339 4.802 1.00 0.67 H new ATOM 0 HA CYS A 15 -1.932 14.275 6.674 1.00 0.61 H new ATOM 0 HB2 CYS A 15 -2.620 16.265 5.441 1.00 0.65 H new ATOM 0 HB3 CYS A 15 -0.976 16.453 6.019 1.00 0.65 H new ATOM 219 N ALA A 16 -3.754 13.868 4.746 1.00 0.59 N ATOM 220 CA ALA A 16 -4.733 13.249 3.856 1.00 0.66 C ATOM 221 C ALA A 16 -4.288 13.324 2.394 1.00 0.68 C ATOM 222 O ALA A 16 -4.464 12.368 1.636 1.00 0.78 O ATOM 223 CB ALA A 16 -6.092 13.936 4.011 1.00 0.75 C ATOM 0 H ALA A 16 -4.166 14.537 5.396 1.00 0.59 H new ATOM 0 HA ALA A 16 -4.816 12.199 4.135 1.00 0.66 H new ATOM 0 HB1 ALA A 16 -6.815 13.467 3.343 1.00 0.75 H new ATOM 0 HB2 ALA A 16 -6.434 13.839 5.042 1.00 0.75 H new ATOM 0 HB3 ALA A 16 -5.997 14.992 3.759 1.00 0.75 H new ATOM 229 N SER A 17 -3.711 14.466 2.010 1.00 0.65 N ATOM 230 CA SER A 17 -3.194 14.727 0.679 1.00 0.74 C ATOM 231 C SER A 17 -2.133 13.704 0.268 1.00 0.85 C ATOM 232 O SER A 17 -1.938 13.486 -0.927 1.00 1.19 O ATOM 233 CB SER A 17 -2.624 16.147 0.634 1.00 0.78 C ATOM 234 OG SER A 17 -3.419 17.002 1.437 1.00 1.57 O ATOM 0 H SER A 17 -3.591 15.256 2.644 1.00 0.65 H new ATOM 0 HA SER A 17 -4.013 14.636 -0.035 1.00 0.74 H new ATOM 0 HB2 SER A 17 -1.594 16.148 0.992 1.00 0.78 H new ATOM 0 HB3 SER A 17 -2.605 16.510 -0.394 1.00 0.78 H new ATOM 0 HG SER A 17 -2.999 17.109 2.316 1.00 1.57 H new ATOM 240 N CYS A 18 -1.419 13.110 1.226 1.00 0.66 N ATOM 241 CA CYS A 18 -0.675 11.889 0.991 1.00 0.61 C ATOM 242 C CYS A 18 -1.616 10.687 0.885 1.00 0.60 C ATOM 243 O CYS A 18 -1.684 10.036 -0.156 1.00 0.69 O ATOM 244 CB CYS A 18 0.361 11.701 2.094 1.00 0.58 C ATOM 245 SG CYS A 18 1.507 13.090 2.292 1.00 0.72 S ATOM 0 H CYS A 18 -1.346 13.466 2.179 1.00 0.66 H new ATOM 0 HA CYS A 18 -0.151 11.966 0.038 1.00 0.61 H new ATOM 0 HB2 CYS A 18 -0.158 11.537 3.038 1.00 0.58 H new ATOM 0 HB3 CYS A 18 0.936 10.799 1.885 1.00 0.58 H new ATOM 250 N VAL A 19 -2.314 10.380 1.984 1.00 0.59 N ATOM 251 CA VAL A 19 -3.075 9.141 2.161 1.00 0.65 C ATOM 252 C VAL A 19 -3.899 8.801 0.915 1.00 0.58 C ATOM 253 O VAL A 19 -3.760 7.714 0.351 1.00 0.54 O ATOM 254 CB VAL A 19 -3.974 9.225 3.413 1.00 0.71 C ATOM 255 CG1 VAL A 19 -4.788 7.940 3.621 1.00 0.92 C ATOM 256 CG2 VAL A 19 -3.148 9.450 4.685 1.00 0.80 C ATOM 0 H VAL A 19 -2.366 11.000 2.792 1.00 0.59 H new ATOM 0 HA VAL A 19 -2.359 8.332 2.308 1.00 0.65 H new ATOM 0 HB VAL A 19 -4.643 10.068 3.239 1.00 0.71 H new ATOM 0 HG11 VAL A 19 -5.407 8.042 4.513 1.00 0.92 H new ATOM 0 HG12 VAL A 19 -5.426 7.769 2.754 1.00 0.92 H new ATOM 0 HG13 VAL A 19 -4.110 7.096 3.744 1.00 0.92 H new ATOM 0 HG21 VAL A 19 -3.814 9.504 5.546 1.00 0.80 H new ATOM 0 HG22 VAL A 19 -2.450 8.623 4.817 1.00 0.80 H new ATOM 0 HG23 VAL A 19 -2.592 10.383 4.597 1.00 0.80 H new ATOM 266 N HIS A 20 -4.753 9.732 0.481 1.00 0.60 N ATOM 267 CA HIS A 20 -5.651 9.487 -0.643 1.00 0.61 C ATOM 268 C HIS A 20 -4.874 9.164 -1.925 1.00 0.55 C ATOM 269 O HIS A 20 -5.359 8.446 -2.797 1.00 0.55 O ATOM 270 CB HIS A 20 -6.621 10.670 -0.828 1.00 0.92 C ATOM 271 CG HIS A 20 -6.088 11.868 -1.585 1.00 1.11 C ATOM 272 ND1 HIS A 20 -6.788 12.599 -2.517 1.00 1.33 N ATOM 273 CD2 HIS A 20 -4.828 12.400 -1.522 1.00 1.31 C ATOM 274 CE1 HIS A 20 -5.957 13.533 -3.010 1.00 1.59 C ATOM 275 NE2 HIS A 20 -4.733 13.433 -2.462 1.00 1.67 N ATOM 0 H HIS A 20 -4.839 10.661 0.893 1.00 0.60 H new ATOM 0 HA HIS A 20 -6.250 8.605 -0.417 1.00 0.61 H new ATOM 0 HB2 HIS A 20 -7.508 10.306 -1.346 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -6.943 11.005 0.158 1.00 0.92 H new ATOM 0 HD1 HIS A 20 -7.762 12.458 -2.785 1.00 1.33 H new ATOM 0 HD2 HIS A 20 -4.040 12.077 -0.858 1.00 1.31 H new ATOM 0 HE1 HIS A 20 -6.236 14.268 -3.750 1.00 1.59 H new ATOM 283 N LYS A 21 -3.673 9.732 -2.052 1.00 0.62 N ATOM 284 CA LYS A 21 -2.857 9.669 -3.244 1.00 0.61 C ATOM 285 C LYS A 21 -2.308 8.260 -3.408 1.00 0.59 C ATOM 286 O LYS A 21 -2.238 7.764 -4.529 1.00 0.71 O ATOM 287 CB LYS A 21 -1.747 10.720 -3.137 1.00 0.66 C ATOM 288 CG LYS A 21 -1.206 11.140 -4.506 1.00 0.78 C ATOM 289 CD LYS A 21 -0.351 12.410 -4.392 1.00 1.21 C ATOM 290 CE LYS A 21 -1.149 13.718 -4.553 1.00 2.80 C ATOM 291 NZ LYS A 21 -2.172 13.941 -3.507 1.00 4.18 N ATOM 0 H LYS A 21 -3.237 10.263 -1.298 1.00 0.62 H new ATOM 0 HA LYS A 21 -3.446 9.892 -4.134 1.00 0.61 H new ATOM 0 HB2 LYS A 21 -2.130 11.597 -2.616 1.00 0.66 H new ATOM 0 HB3 LYS A 21 -0.931 10.322 -2.533 1.00 0.66 H new ATOM 0 HG2 LYS A 21 -0.609 10.332 -4.929 1.00 0.78 H new ATOM 0 HG3 LYS A 21 -2.036 11.316 -5.191 1.00 0.78 H new ATOM 0 HD2 LYS A 21 0.145 12.416 -3.421 1.00 1.21 H new ATOM 0 HD3 LYS A 21 0.432 12.378 -5.150 1.00 1.21 H new ATOM 0 HE2 LYS A 21 -0.453 14.557 -4.549 1.00 2.80 H new ATOM 0 HE3 LYS A 21 -1.638 13.714 -5.527 1.00 2.80 H new ATOM 0 HZ1 LYS A 21 -2.495 14.929 -3.542 1.00 4.18 H new ATOM 0 HZ2 LYS A 21 -2.980 13.307 -3.670 1.00 4.18 H new ATOM 0 HZ3 LYS A 21 -1.761 13.744 -2.572 1.00 4.18 H new ATOM 305 N ILE A 22 -1.933 7.621 -2.295 1.00 0.51 N ATOM 306 CA ILE A 22 -1.463 6.244 -2.313 1.00 0.52 C ATOM 307 C ILE A 22 -2.530 5.376 -2.963 1.00 0.65 C ATOM 308 O ILE A 22 -2.303 4.844 -4.045 1.00 0.72 O ATOM 309 CB ILE A 22 -1.096 5.748 -0.902 1.00 0.51 C ATOM 310 CG1 ILE A 22 -0.070 6.711 -0.302 1.00 0.46 C ATOM 311 CG2 ILE A 22 -0.548 4.314 -0.977 1.00 0.66 C ATOM 312 CD1 ILE A 22 0.620 6.197 0.963 1.00 0.76 C ATOM 0 H ILE A 22 -1.949 8.045 -1.367 1.00 0.51 H new ATOM 0 HA ILE A 22 -0.546 6.181 -2.898 1.00 0.52 H new ATOM 0 HB ILE A 22 -1.978 5.727 -0.262 1.00 0.51 H new ATOM 0 HG12 ILE A 22 0.690 6.926 -1.053 1.00 0.46 H new ATOM 0 HG13 ILE A 22 -0.567 7.654 -0.072 1.00 0.46 H new ATOM 0 HG21 ILE A 22 -0.291 3.970 0.025 1.00 0.66 H new ATOM 0 HG22 ILE A 22 -1.306 3.657 -1.403 1.00 0.66 H new ATOM 0 HG23 ILE A 22 0.342 4.297 -1.606 1.00 0.66 H new ATOM 0 HD11 ILE A 22 1.330 6.943 1.319 1.00 0.76 H new ATOM 0 HD12 ILE A 22 -0.127 6.010 1.734 1.00 0.76 H new ATOM 0 HD13 ILE A 22 1.149 5.271 0.738 1.00 0.76 H new ATOM 324 N GLU A 23 -3.696 5.273 -2.322 1.00 0.73 N ATOM 325 CA GLU A 23 -4.823 4.505 -2.828 1.00 0.86 C ATOM 326 C GLU A 23 -5.130 4.922 -4.271 1.00 0.84 C ATOM 327 O GLU A 23 -5.091 4.090 -5.172 1.00 1.02 O ATOM 328 CB GLU A 23 -6.005 4.676 -1.853 1.00 0.94 C ATOM 329 CG GLU A 23 -7.391 4.258 -2.373 1.00 2.12 C ATOM 330 CD GLU A 23 -7.883 2.914 -1.843 1.00 2.80 C ATOM 331 OE1 GLU A 23 -8.410 2.903 -0.714 1.00 2.73 O ATOM 332 OE2 GLU A 23 -7.734 1.904 -2.568 1.00 4.43 O ATOM 0 H GLU A 23 -3.881 5.727 -1.428 1.00 0.73 H new ATOM 0 HA GLU A 23 -4.598 3.439 -2.874 1.00 0.86 H new ATOM 0 HB2 GLU A 23 -5.791 4.100 -0.953 1.00 0.94 H new ATOM 0 HB3 GLU A 23 -6.054 5.724 -1.557 1.00 0.94 H new ATOM 0 HG2 GLU A 23 -8.114 5.028 -2.104 1.00 2.12 H new ATOM 0 HG3 GLU A 23 -7.360 4.216 -3.462 1.00 2.12 H new ATOM 339 N SER A 24 -5.406 6.204 -4.517 1.00 0.72 N ATOM 340 CA SER A 24 -5.797 6.664 -5.844 1.00 0.78 C ATOM 341 C SER A 24 -4.769 6.265 -6.911 1.00 0.84 C ATOM 342 O SER A 24 -5.140 5.863 -8.013 1.00 1.02 O ATOM 343 CB SER A 24 -6.024 8.180 -5.826 1.00 0.77 C ATOM 344 OG SER A 24 -6.625 8.624 -7.028 1.00 0.96 O ATOM 0 H SER A 24 -5.365 6.940 -3.812 1.00 0.72 H new ATOM 0 HA SER A 24 -6.733 6.174 -6.112 1.00 0.78 H new ATOM 0 HB2 SER A 24 -6.658 8.445 -4.980 1.00 0.77 H new ATOM 0 HB3 SER A 24 -5.072 8.691 -5.683 1.00 0.77 H new ATOM 0 HG SER A 24 -6.759 9.594 -6.988 1.00 0.96 H new ATOM 350 N SER A 25 -3.476 6.425 -6.617 1.00 0.79 N ATOM 351 CA SER A 25 -2.423 6.123 -7.570 1.00 0.86 C ATOM 352 C SER A 25 -2.300 4.616 -7.759 1.00 0.98 C ATOM 353 O SER A 25 -2.166 4.137 -8.881 1.00 1.20 O ATOM 354 CB SER A 25 -1.095 6.735 -7.110 1.00 0.87 C ATOM 355 OG SER A 25 -0.097 6.525 -8.093 1.00 1.46 O ATOM 0 H SER A 25 -3.139 6.765 -5.717 1.00 0.79 H new ATOM 0 HA SER A 25 -2.680 6.565 -8.533 1.00 0.86 H new ATOM 0 HB2 SER A 25 -1.220 7.803 -6.930 1.00 0.87 H new ATOM 0 HB3 SER A 25 -0.787 6.287 -6.166 1.00 0.87 H new ATOM 0 HG SER A 25 0.352 7.374 -8.290 1.00 1.46 H new ATOM 361 N LEU A 26 -2.233 3.875 -6.660 1.00 0.99 N ATOM 362 CA LEU A 26 -1.974 2.460 -6.638 1.00 1.20 C ATOM 363 C LEU A 26 -3.163 1.633 -7.114 1.00 1.05 C ATOM 364 O LEU A 26 -3.009 0.800 -7.999 1.00 1.09 O ATOM 365 CB LEU A 26 -1.516 2.144 -5.215 1.00 1.56 C ATOM 366 CG LEU A 26 -1.182 0.685 -4.951 1.00 1.34 C ATOM 367 CD1 LEU A 26 -0.219 0.108 -5.992 1.00 3.15 C ATOM 368 CD2 LEU A 26 -0.549 0.618 -3.560 1.00 1.52 C ATOM 0 H LEU A 26 -2.364 4.269 -5.728 1.00 0.99 H new ATOM 0 HA LEU A 26 -1.196 2.184 -7.350 1.00 1.20 H new ATOM 0 HB2 LEU A 26 -0.636 2.748 -4.991 1.00 1.56 H new ATOM 0 HB3 LEU A 26 -2.299 2.452 -4.522 1.00 1.56 H new ATOM 0 HG LEU A 26 -2.092 0.089 -5.013 1.00 1.34 H new ATOM 0 HD11 LEU A 26 -0.013 -0.936 -5.758 1.00 3.15 H new ATOM 0 HD12 LEU A 26 -0.670 0.175 -6.982 1.00 3.15 H new ATOM 0 HD13 LEU A 26 0.713 0.674 -5.979 1.00 3.15 H new ATOM 0 HD21 LEU A 26 -0.292 -0.415 -3.327 1.00 1.52 H new ATOM 0 HD22 LEU A 26 0.353 1.230 -3.541 1.00 1.52 H new ATOM 0 HD23 LEU A 26 -1.257 0.992 -2.820 1.00 1.52 H new ATOM 380 N THR A 27 -4.350 1.841 -6.553 1.00 1.01 N ATOM 381 CA THR A 27 -5.505 0.990 -6.801 1.00 1.16 C ATOM 382 C THR A 27 -5.913 0.936 -8.281 1.00 0.99 C ATOM 383 O THR A 27 -6.520 -0.040 -8.715 1.00 1.58 O ATOM 384 CB THR A 27 -6.621 1.373 -5.819 1.00 1.50 C ATOM 385 OG1 THR A 27 -6.058 1.323 -4.524 1.00 2.90 O ATOM 386 CG2 THR A 27 -7.817 0.418 -5.868 1.00 1.92 C ATOM 0 H THR A 27 -4.537 2.610 -5.910 1.00 1.01 H new ATOM 0 HA THR A 27 -5.246 -0.050 -6.601 1.00 1.16 H new ATOM 0 HB THR A 27 -6.996 2.361 -6.085 1.00 1.50 H new ATOM 0 HG1 THR A 27 -6.762 1.457 -3.856 1.00 2.90 H new ATOM 0 HG21 THR A 27 -8.571 0.743 -5.151 1.00 1.92 H new ATOM 0 HG22 THR A 27 -8.244 0.421 -6.871 1.00 1.92 H new ATOM 0 HG23 THR A 27 -7.488 -0.590 -5.617 1.00 1.92 H new ATOM 394 N LYS A 28 -5.531 1.932 -9.092 1.00 0.68 N ATOM 395 CA LYS A 28 -5.737 1.866 -10.537 1.00 0.82 C ATOM 396 C LYS A 28 -4.933 0.741 -11.221 1.00 0.68 C ATOM 397 O LYS A 28 -5.277 0.334 -12.330 1.00 0.86 O ATOM 398 CB LYS A 28 -5.468 3.229 -11.194 1.00 1.23 C ATOM 399 CG LYS A 28 -4.027 3.728 -11.029 1.00 1.40 C ATOM 400 CD LYS A 28 -3.351 4.171 -12.344 1.00 2.17 C ATOM 401 CE LYS A 28 -1.886 3.708 -12.430 1.00 3.38 C ATOM 402 NZ LYS A 28 -1.050 4.194 -11.312 1.00 4.52 N ATOM 0 H LYS A 28 -5.080 2.788 -8.769 1.00 0.68 H new ATOM 0 HA LYS A 28 -6.787 1.612 -10.685 1.00 0.82 H new ATOM 0 HB2 LYS A 28 -5.698 3.160 -12.257 1.00 1.23 H new ATOM 0 HB3 LYS A 28 -6.148 3.967 -10.768 1.00 1.23 H new ATOM 0 HG2 LYS A 28 -4.023 4.566 -10.332 1.00 1.40 H new ATOM 0 HG3 LYS A 28 -3.430 2.935 -10.577 1.00 1.40 H new ATOM 0 HD2 LYS A 28 -3.908 3.768 -13.190 1.00 2.17 H new ATOM 0 HD3 LYS A 28 -3.392 5.257 -12.423 1.00 2.17 H new ATOM 0 HE2 LYS A 28 -1.858 2.619 -12.448 1.00 3.38 H new ATOM 0 HE3 LYS A 28 -1.458 4.054 -13.371 1.00 3.38 H new ATOM 0 HZ1 LYS A 28 -0.313 3.492 -11.099 1.00 4.52 H new ATOM 0 HZ2 LYS A 28 -0.603 5.095 -11.579 1.00 4.52 H new ATOM 0 HZ3 LYS A 28 -1.645 4.338 -10.471 1.00 4.52 H new ATOM 416 N HIS A 29 -3.846 0.259 -10.607 1.00 0.62 N ATOM 417 CA HIS A 29 -3.077 -0.864 -11.128 1.00 0.79 C ATOM 418 C HIS A 29 -3.958 -2.112 -11.063 1.00 0.93 C ATOM 419 O HIS A 29 -4.179 -2.651 -9.982 1.00 1.62 O ATOM 420 CB HIS A 29 -1.778 -1.085 -10.329 1.00 0.98 C ATOM 421 CG HIS A 29 -0.719 -0.020 -10.501 1.00 1.29 C ATOM 422 ND1 HIS A 29 0.570 -0.212 -10.946 1.00 1.81 N ATOM 423 CD2 HIS A 29 -0.851 1.309 -10.214 1.00 1.82 C ATOM 424 CE1 HIS A 29 1.178 0.989 -10.956 1.00 2.06 C ATOM 425 NE2 HIS A 29 0.340 1.961 -10.551 1.00 2.12 N ATOM 0 H HIS A 29 -3.479 0.641 -9.735 1.00 0.62 H new ATOM 0 HA HIS A 29 -2.785 -0.652 -12.157 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -2.030 -1.154 -9.271 1.00 0.98 H new ATOM 0 HB3 HIS A 29 -1.353 -2.046 -10.619 1.00 0.98 H new ATOM 0 HD1 HIS A 29 0.988 -1.102 -11.218 1.00 1.81 H new ATOM 0 HD2 HIS A 29 -1.729 1.779 -9.796 1.00 1.82 H new ATOM 0 HE1 HIS A 29 2.204 1.151 -11.251 1.00 2.06 H new ATOM 433 N ARG A 30 -4.455 -2.567 -12.216 1.00 1.09 N ATOM 434 CA ARG A 30 -5.231 -3.793 -12.348 1.00 1.27 C ATOM 435 C ARG A 30 -4.467 -4.963 -11.719 1.00 1.51 C ATOM 436 O ARG A 30 -3.546 -5.490 -12.336 1.00 3.34 O ATOM 437 CB ARG A 30 -5.500 -4.072 -13.833 1.00 1.54 C ATOM 438 CG ARG A 30 -6.429 -3.029 -14.464 1.00 2.18 C ATOM 439 CD ARG A 30 -6.585 -3.323 -15.963 1.00 3.13 C ATOM 440 NE ARG A 30 -7.549 -2.415 -16.605 1.00 4.16 N ATOM 441 CZ ARG A 30 -8.884 -2.565 -16.591 1.00 4.78 C ATOM 442 NH1 ARG A 30 -9.435 -3.566 -15.894 1.00 4.75 N ATOM 443 NH2 ARG A 30 -9.662 -1.715 -17.272 1.00 6.09 N ATOM 0 H ARG A 30 -4.323 -2.078 -13.102 1.00 1.09 H new ATOM 0 HA ARG A 30 -6.183 -3.678 -11.829 1.00 1.27 H new ATOM 0 HB2 ARG A 30 -4.554 -4.087 -14.374 1.00 1.54 H new ATOM 0 HB3 ARG A 30 -5.944 -5.062 -13.939 1.00 1.54 H new ATOM 0 HG2 ARG A 30 -7.403 -3.051 -13.975 1.00 2.18 H new ATOM 0 HG3 ARG A 30 -6.022 -2.028 -14.319 1.00 2.18 H new ATOM 0 HD2 ARG A 30 -5.616 -3.229 -16.454 1.00 3.13 H new ATOM 0 HD3 ARG A 30 -6.912 -4.354 -16.098 1.00 3.13 H new ATOM 0 HE ARG A 30 -7.173 -1.607 -17.101 1.00 4.16 H new ATOM 0 HH11 ARG A 30 -8.842 -4.213 -15.375 1.00 4.75 H new ATOM 0 HH12 ARG A 30 -10.448 -3.682 -15.882 1.00 4.75 H new ATOM 0 HH21 ARG A 30 -9.241 -0.952 -17.803 1.00 6.09 H new ATOM 0 HH22 ARG A 30 -10.675 -1.830 -17.260 1.00 6.09 H new ATOM 457 N GLY A 31 -4.838 -5.346 -10.496 1.00 0.84 N ATOM 458 CA GLY A 31 -4.079 -6.289 -9.687 1.00 0.72 C ATOM 459 C GLY A 31 -4.161 -5.899 -8.215 1.00 0.68 C ATOM 460 O GLY A 31 -4.193 -6.758 -7.339 1.00 0.94 O ATOM 0 H GLY A 31 -5.683 -5.004 -10.039 1.00 0.84 H new ATOM 0 HA2 GLY A 31 -4.469 -7.297 -9.827 1.00 0.72 H new ATOM 0 HA3 GLY A 31 -3.038 -6.303 -10.010 1.00 0.72 H new ATOM 464 N ILE A 32 -4.257 -4.597 -7.940 1.00 0.82 N ATOM 465 CA ILE A 32 -4.722 -4.092 -6.666 1.00 0.96 C ATOM 466 C ILE A 32 -6.249 -4.175 -6.675 1.00 1.06 C ATOM 467 O ILE A 32 -6.867 -4.092 -7.736 1.00 1.15 O ATOM 468 CB ILE A 32 -4.264 -2.639 -6.481 1.00 1.20 C ATOM 469 CG1 ILE A 32 -2.769 -2.442 -6.758 1.00 2.38 C ATOM 470 CG2 ILE A 32 -4.582 -2.147 -5.061 1.00 2.09 C ATOM 471 CD1 ILE A 32 -1.888 -3.037 -5.667 1.00 4.20 C ATOM 0 H ILE A 32 -4.010 -3.865 -8.606 1.00 0.82 H new ATOM 0 HA ILE A 32 -4.314 -4.677 -5.842 1.00 0.96 H new ATOM 0 HB ILE A 32 -4.817 -2.053 -7.215 1.00 1.20 H new ATOM 0 HG12 ILE A 32 -2.517 -2.901 -7.714 1.00 2.38 H new ATOM 0 HG13 ILE A 32 -2.558 -1.377 -6.850 1.00 2.38 H new ATOM 0 HG21 ILE A 32 -4.249 -1.115 -4.951 1.00 2.09 H new ATOM 0 HG22 ILE A 32 -5.657 -2.202 -4.889 1.00 2.09 H new ATOM 0 HG23 ILE A 32 -4.066 -2.774 -4.334 1.00 2.09 H new ATOM 0 HD11 ILE A 32 -0.840 -2.869 -5.914 1.00 4.20 H new ATOM 0 HD12 ILE A 32 -2.117 -2.560 -4.714 1.00 4.20 H new ATOM 0 HD13 ILE A 32 -2.076 -4.108 -5.591 1.00 4.20 H new ATOM 483 N LEU A 33 -6.842 -4.340 -5.492 1.00 1.34 N ATOM 484 CA LEU A 33 -8.280 -4.342 -5.275 1.00 1.57 C ATOM 485 C LEU A 33 -8.668 -3.130 -4.425 1.00 1.71 C ATOM 486 O LEU A 33 -9.625 -2.432 -4.754 1.00 2.01 O ATOM 487 CB LEU A 33 -8.706 -5.656 -4.598 1.00 1.67 C ATOM 488 CG LEU A 33 -8.226 -6.922 -5.334 1.00 1.62 C ATOM 489 CD1 LEU A 33 -8.575 -8.160 -4.502 1.00 2.02 C ATOM 490 CD2 LEU A 33 -8.862 -7.049 -6.724 1.00 2.11 C ATOM 0 H LEU A 33 -6.312 -4.480 -4.632 1.00 1.34 H new ATOM 0 HA LEU A 33 -8.798 -4.273 -6.232 1.00 1.57 H new ATOM 0 HB2 LEU A 33 -8.318 -5.671 -3.579 1.00 1.67 H new ATOM 0 HB3 LEU A 33 -9.793 -5.680 -4.526 1.00 1.67 H new ATOM 0 HG LEU A 33 -7.147 -6.843 -5.464 1.00 1.62 H new ATOM 0 HD11 LEU A 33 -8.236 -9.056 -5.022 1.00 2.02 H new ATOM 0 HD12 LEU A 33 -8.084 -8.096 -3.531 1.00 2.02 H new ATOM 0 HD13 LEU A 33 -9.654 -8.210 -4.360 1.00 2.02 H new ATOM 0 HD21 LEU A 33 -8.498 -7.954 -7.210 1.00 2.11 H new ATOM 0 HD22 LEU A 33 -9.946 -7.102 -6.625 1.00 2.11 H new ATOM 0 HD23 LEU A 33 -8.595 -6.181 -7.327 1.00 2.11 H new ATOM 502 N TYR A 34 -7.950 -2.889 -3.322 1.00 1.54 N ATOM 503 CA TYR A 34 -8.251 -1.826 -2.366 1.00 1.57 C ATOM 504 C TYR A 34 -6.962 -1.476 -1.623 1.00 1.28 C ATOM 505 O TYR A 34 -6.140 -2.369 -1.440 1.00 1.02 O ATOM 506 CB TYR A 34 -9.315 -2.373 -1.397 1.00 1.64 C ATOM 507 CG TYR A 34 -9.773 -1.499 -0.240 1.00 1.53 C ATOM 508 CD1 TYR A 34 -9.844 -0.096 -0.351 1.00 2.97 C ATOM 509 CD2 TYR A 34 -10.260 -2.124 0.923 1.00 1.66 C ATOM 510 CE1 TYR A 34 -10.286 0.673 0.740 1.00 2.81 C ATOM 511 CE2 TYR A 34 -10.780 -1.356 1.978 1.00 1.83 C ATOM 512 CZ TYR A 34 -10.763 0.046 1.900 1.00 1.41 C ATOM 513 OH TYR A 34 -11.125 0.791 2.983 1.00 1.51 O ATOM 0 H TYR A 34 -7.130 -3.439 -3.067 1.00 1.54 H new ATOM 0 HA TYR A 34 -8.629 -0.926 -2.852 1.00 1.57 H new ATOM 0 HB2 TYR A 34 -10.196 -2.629 -1.985 1.00 1.64 H new ATOM 0 HB3 TYR A 34 -8.931 -3.302 -0.976 1.00 1.64 H new ATOM 0 HD1 TYR A 34 -9.559 0.388 -1.273 1.00 2.97 H new ATOM 0 HD2 TYR A 34 -10.234 -3.201 1.005 1.00 1.66 H new ATOM 0 HE1 TYR A 34 -10.258 1.751 0.684 1.00 2.81 H new ATOM 0 HE2 TYR A 34 -11.193 -1.844 2.849 1.00 1.83 H new ATOM 0 HH TYR A 34 -11.434 0.198 3.700 1.00 1.51 H new ATOM 523 N CYS A 35 -6.788 -0.230 -1.171 1.00 1.39 N ATOM 524 CA CYS A 35 -5.652 0.196 -0.357 1.00 1.21 C ATOM 525 C CYS A 35 -6.141 0.863 0.928 1.00 1.35 C ATOM 526 O CYS A 35 -6.096 2.087 1.047 1.00 2.64 O ATOM 527 CB CYS A 35 -4.769 1.155 -1.160 1.00 1.35 C ATOM 528 SG CYS A 35 -3.729 0.275 -2.337 1.00 2.49 S ATOM 0 H CYS A 35 -7.448 0.523 -1.366 1.00 1.39 H new ATOM 0 HA CYS A 35 -5.061 -0.679 -0.084 1.00 1.21 H new ATOM 0 HB2 CYS A 35 -5.398 1.869 -1.692 1.00 1.35 H new ATOM 0 HB3 CYS A 35 -4.142 1.729 -0.478 1.00 1.35 H new ATOM 0 HG CYS A 35 -4.160 0.492 -3.544 1.00 2.49 H new ATOM 534 N SER A 36 -6.525 0.087 1.953 1.00 0.43 N ATOM 535 CA SER A 36 -6.971 0.686 3.206 1.00 0.57 C ATOM 536 C SER A 36 -5.752 1.140 4.008 1.00 0.55 C ATOM 537 O SER A 36 -5.357 0.480 4.977 1.00 0.84 O ATOM 538 CB SER A 36 -7.845 -0.282 4.016 1.00 0.77 C ATOM 539 OG SER A 36 -8.441 0.385 5.118 1.00 1.49 O ATOM 0 H SER A 36 -6.534 -0.933 1.935 1.00 0.43 H new ATOM 0 HA SER A 36 -7.593 1.552 2.981 1.00 0.57 H new ATOM 0 HB2 SER A 36 -8.621 -0.702 3.376 1.00 0.77 H new ATOM 0 HB3 SER A 36 -7.240 -1.115 4.373 1.00 0.77 H new ATOM 0 HG SER A 36 -8.995 -0.247 5.622 1.00 1.49 H new ATOM 545 N VAL A 37 -5.181 2.280 3.618 1.00 0.57 N ATOM 546 CA VAL A 37 -4.133 2.980 4.344 1.00 0.55 C ATOM 547 C VAL A 37 -4.741 4.001 5.309 1.00 0.49 C ATOM 548 O VAL A 37 -5.723 4.656 4.966 1.00 0.83 O ATOM 549 CB VAL A 37 -3.114 3.596 3.365 1.00 0.93 C ATOM 550 CG1 VAL A 37 -3.765 4.423 2.248 1.00 1.32 C ATOM 551 CG2 VAL A 37 -2.084 4.466 4.097 1.00 2.66 C ATOM 0 H VAL A 37 -5.449 2.755 2.756 1.00 0.57 H new ATOM 0 HA VAL A 37 -3.578 2.269 4.956 1.00 0.55 H new ATOM 0 HB VAL A 37 -2.615 2.745 2.902 1.00 0.93 H new ATOM 0 HG11 VAL A 37 -2.991 4.827 1.596 1.00 1.32 H new ATOM 0 HG12 VAL A 37 -4.434 3.788 1.667 1.00 1.32 H new ATOM 0 HG13 VAL A 37 -4.334 5.243 2.687 1.00 1.32 H new ATOM 0 HG21 VAL A 37 -1.382 4.884 3.375 1.00 2.66 H new ATOM 0 HG22 VAL A 37 -2.596 5.276 4.616 1.00 2.66 H new ATOM 0 HG23 VAL A 37 -1.542 3.857 4.820 1.00 2.66 H new ATOM 561 N ALA A 38 -4.173 4.150 6.516 1.00 0.53 N ATOM 562 CA ALA A 38 -4.547 5.241 7.407 1.00 0.67 C ATOM 563 C ALA A 38 -3.365 5.650 8.284 1.00 0.71 C ATOM 564 O ALA A 38 -2.892 4.858 9.101 1.00 1.24 O ATOM 565 CB ALA A 38 -5.748 4.847 8.269 1.00 1.18 C ATOM 0 H ALA A 38 -3.457 3.527 6.889 1.00 0.53 H new ATOM 0 HA ALA A 38 -4.832 6.098 6.796 1.00 0.67 H new ATOM 0 HB1 ALA A 38 -6.011 5.675 8.927 1.00 1.18 H new ATOM 0 HB2 ALA A 38 -6.596 4.611 7.626 1.00 1.18 H new ATOM 0 HB3 ALA A 38 -5.494 3.973 8.869 1.00 1.18 H new ATOM 571 N LEU A 39 -2.923 6.904 8.151 1.00 0.66 N ATOM 572 CA LEU A 39 -1.836 7.487 8.937 1.00 0.68 C ATOM 573 C LEU A 39 -2.057 7.399 10.450 1.00 0.64 C ATOM 574 O LEU A 39 -1.098 7.473 11.214 1.00 0.74 O ATOM 575 CB LEU A 39 -1.518 8.917 8.459 1.00 1.00 C ATOM 576 CG LEU A 39 -2.646 9.967 8.516 1.00 0.69 C ATOM 577 CD1 LEU A 39 -3.016 10.407 9.939 1.00 1.33 C ATOM 578 CD2 LEU A 39 -2.183 11.220 7.759 1.00 1.12 C ATOM 0 H LEU A 39 -3.322 7.557 7.476 1.00 0.66 H new ATOM 0 HA LEU A 39 -0.953 6.875 8.755 1.00 0.68 H new ATOM 0 HB2 LEU A 39 -0.684 9.290 9.054 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -1.171 8.855 7.427 1.00 1.00 H new ATOM 0 HG LEU A 39 -3.526 9.498 8.075 1.00 0.69 H new ATOM 0 HD11 LEU A 39 -3.816 11.146 9.895 1.00 1.33 H new ATOM 0 HD12 LEU A 39 -3.352 9.542 10.511 1.00 1.33 H new ATOM 0 HD13 LEU A 39 -2.143 10.846 10.423 1.00 1.33 H new ATOM 0 HD21 LEU A 39 -2.969 11.974 7.789 1.00 1.12 H new ATOM 0 HD22 LEU A 39 -1.282 11.616 8.228 1.00 1.12 H new ATOM 0 HD23 LEU A 39 -1.969 10.960 6.722 1.00 1.12 H new ATOM 590 N ALA A 40 -3.307 7.202 10.882 1.00 0.75 N ATOM 591 CA ALA A 40 -3.646 7.003 12.281 1.00 0.92 C ATOM 592 C ALA A 40 -3.002 5.727 12.823 1.00 0.98 C ATOM 593 O ALA A 40 -2.642 5.673 13.996 1.00 1.34 O ATOM 594 CB ALA A 40 -5.169 6.952 12.432 1.00 1.17 C ATOM 0 H ALA A 40 -4.114 7.177 10.259 1.00 0.75 H new ATOM 0 HA ALA A 40 -3.257 7.839 12.863 1.00 0.92 H new ATOM 0 HB1 ALA A 40 -5.426 6.803 13.481 1.00 1.17 H new ATOM 0 HB2 ALA A 40 -5.601 7.890 12.083 1.00 1.17 H new ATOM 0 HB3 ALA A 40 -5.566 6.127 11.840 1.00 1.17 H new ATOM 600 N THR A 41 -2.888 4.693 11.982 1.00 0.82 N ATOM 601 CA THR A 41 -2.331 3.400 12.355 1.00 0.97 C ATOM 602 C THR A 41 -1.081 3.063 11.531 1.00 1.02 C ATOM 603 O THR A 41 -0.415 2.075 11.834 1.00 1.37 O ATOM 604 CB THR A 41 -3.435 2.322 12.325 1.00 1.24 C ATOM 605 OG1 THR A 41 -2.935 1.042 11.997 1.00 2.11 O ATOM 606 CG2 THR A 41 -4.618 2.656 11.408 1.00 2.89 C ATOM 0 H THR A 41 -3.187 4.738 11.008 1.00 0.82 H new ATOM 0 HA THR A 41 -1.972 3.438 13.384 1.00 0.97 H new ATOM 0 HB THR A 41 -3.811 2.309 13.348 1.00 1.24 H new ATOM 0 HG1 THR A 41 -3.632 0.370 12.147 1.00 2.11 H new ATOM 0 HG21 THR A 41 -5.347 1.847 11.446 1.00 2.89 H new ATOM 0 HG22 THR A 41 -5.086 3.582 11.741 1.00 2.89 H new ATOM 0 HG23 THR A 41 -4.262 2.776 10.385 1.00 2.89 H new ATOM 614 N ASN A 42 -0.759 3.859 10.502 1.00 0.87 N ATOM 615 CA ASN A 42 0.435 3.715 9.672 1.00 0.94 C ATOM 616 C ASN A 42 0.446 2.372 8.964 1.00 1.02 C ATOM 617 O ASN A 42 1.503 1.865 8.611 1.00 1.11 O ATOM 618 CB ASN A 42 1.719 3.937 10.490 1.00 1.20 C ATOM 619 CG ASN A 42 1.589 5.210 11.302 1.00 1.30 C ATOM 620 OD1 ASN A 42 1.612 5.192 12.527 1.00 2.26 O ATOM 621 ND2 ASN A 42 1.334 6.314 10.613 1.00 1.20 N ATOM 0 H ASN A 42 -1.344 4.645 10.219 1.00 0.87 H new ATOM 0 HA ASN A 42 0.405 4.491 8.907 1.00 0.94 H new ATOM 0 HB2 ASN A 42 1.893 3.088 11.151 1.00 1.20 H new ATOM 0 HB3 ASN A 42 2.580 4.004 9.824 1.00 1.20 H new ATOM 0 HD21 ASN A 42 1.148 7.189 11.103 1.00 1.20 H new ATOM 0 HD22 ASN A 42 1.324 6.288 9.593 1.00 1.20 H new ATOM 628 N LYS A 43 -0.742 1.816 8.741 1.00 1.19 N ATOM 629 CA LYS A 43 -0.944 0.514 8.150 1.00 1.25 C ATOM 630 C LYS A 43 -1.402 0.740 6.727 1.00 1.00 C ATOM 631 O LYS A 43 -1.897 1.824 6.414 1.00 0.85 O ATOM 632 CB LYS A 43 -1.957 -0.297 8.972 1.00 1.35 C ATOM 633 CG LYS A 43 -3.354 0.322 9.144 1.00 1.58 C ATOM 634 CD LYS A 43 -4.308 0.128 7.956 1.00 1.32 C ATOM 635 CE LYS A 43 -5.735 0.580 8.308 1.00 1.70 C ATOM 636 NZ LYS A 43 -6.710 0.162 7.276 1.00 2.68 N ATOM 0 H LYS A 43 -1.616 2.284 8.979 1.00 1.19 H new ATOM 0 HA LYS A 43 -0.024 -0.071 8.146 1.00 1.25 H new ATOM 0 HB2 LYS A 43 -2.072 -1.274 8.503 1.00 1.35 H new ATOM 0 HB3 LYS A 43 -1.535 -0.467 9.962 1.00 1.35 H new ATOM 0 HG2 LYS A 43 -3.816 -0.106 10.034 1.00 1.58 H new ATOM 0 HG3 LYS A 43 -3.240 1.391 9.327 1.00 1.58 H new ATOM 0 HD2 LYS A 43 -3.945 0.695 7.099 1.00 1.32 H new ATOM 0 HD3 LYS A 43 -4.318 -0.922 7.662 1.00 1.32 H new ATOM 0 HE2 LYS A 43 -6.023 0.160 9.272 1.00 1.70 H new ATOM 0 HE3 LYS A 43 -5.758 1.665 8.413 1.00 1.70 H new ATOM 0 HZ1 LYS A 43 -7.664 0.469 7.555 1.00 2.68 H new ATOM 0 HZ2 LYS A 43 -6.459 0.596 6.365 1.00 2.68 H new ATOM 0 HZ3 LYS A 43 -6.693 -0.874 7.182 1.00 2.68 H new ATOM 650 N ALA A 44 -1.291 -0.293 5.901 1.00 1.03 N ATOM 651 CA ALA A 44 -1.927 -0.376 4.611 1.00 0.83 C ATOM 652 C ALA A 44 -2.414 -1.801 4.491 1.00 0.84 C ATOM 653 O ALA A 44 -1.680 -2.673 4.031 1.00 0.96 O ATOM 654 CB ALA A 44 -0.960 0.003 3.501 1.00 0.91 C ATOM 0 H ALA A 44 -0.736 -1.118 6.127 1.00 1.03 H new ATOM 0 HA ALA A 44 -2.757 0.324 4.517 1.00 0.83 H new ATOM 0 HB1 ALA A 44 -1.466 -0.068 2.538 1.00 0.91 H new ATOM 0 HB2 ALA A 44 -0.613 1.025 3.654 1.00 0.91 H new ATOM 0 HB3 ALA A 44 -0.107 -0.676 3.514 1.00 0.91 H new ATOM 660 N HIS A 45 -3.653 -2.012 4.936 1.00 0.92 N ATOM 661 CA HIS A 45 -4.393 -3.226 4.666 1.00 0.97 C ATOM 662 C HIS A 45 -4.884 -3.025 3.248 1.00 1.03 C ATOM 663 O HIS A 45 -5.987 -2.535 3.005 1.00 1.27 O ATOM 664 CB HIS A 45 -5.485 -3.409 5.730 1.00 1.04 C ATOM 665 CG HIS A 45 -6.245 -4.711 5.653 1.00 1.14 C ATOM 666 ND1 HIS A 45 -6.656 -5.466 6.730 1.00 1.47 N ATOM 667 CD2 HIS A 45 -6.735 -5.311 4.524 1.00 1.11 C ATOM 668 CE1 HIS A 45 -7.386 -6.489 6.253 1.00 1.63 C ATOM 669 NE2 HIS A 45 -7.478 -6.428 4.916 1.00 1.41 N ATOM 0 H HIS A 45 -4.168 -1.334 5.498 1.00 0.92 H new ATOM 0 HA HIS A 45 -3.823 -4.153 4.728 1.00 0.97 H new ATOM 0 HB2 HIS A 45 -5.026 -3.332 6.716 1.00 1.04 H new ATOM 0 HB3 HIS A 45 -6.195 -2.587 5.644 1.00 1.04 H new ATOM 0 HD1 HIS A 45 -6.445 -5.282 7.711 1.00 1.47 H new ATOM 0 HD2 HIS A 45 -6.575 -4.979 3.509 1.00 1.11 H new ATOM 0 HE1 HIS A 45 -7.838 -7.257 6.864 1.00 1.63 H new ATOM 677 N ILE A 46 -4.006 -3.351 2.308 1.00 0.95 N ATOM 678 CA ILE A 46 -4.400 -3.410 0.929 1.00 1.13 C ATOM 679 C ILE A 46 -5.066 -4.760 0.728 1.00 1.32 C ATOM 680 O ILE A 46 -4.938 -5.680 1.542 1.00 1.85 O ATOM 681 CB ILE A 46 -3.209 -3.172 -0.018 1.00 1.14 C ATOM 682 CG1 ILE A 46 -2.352 -4.435 -0.144 1.00 2.28 C ATOM 683 CG2 ILE A 46 -2.364 -1.975 0.431 1.00 2.88 C ATOM 684 CD1 ILE A 46 -1.009 -4.210 -0.822 1.00 2.97 C ATOM 0 H ILE A 46 -3.027 -3.575 2.485 1.00 0.95 H new ATOM 0 HA ILE A 46 -5.101 -2.612 0.683 1.00 1.13 H new ATOM 0 HB ILE A 46 -3.612 -2.936 -1.003 1.00 1.14 H new ATOM 0 HG12 ILE A 46 -2.180 -4.845 0.851 1.00 2.28 H new ATOM 0 HG13 ILE A 46 -2.909 -5.185 -0.706 1.00 2.28 H new ATOM 0 HG21 ILE A 46 -1.533 -1.837 -0.260 1.00 2.88 H new ATOM 0 HG22 ILE A 46 -2.981 -1.077 0.440 1.00 2.88 H new ATOM 0 HG23 ILE A 46 -1.976 -2.159 1.433 1.00 2.88 H new ATOM 0 HD11 ILE A 46 -0.464 -5.153 -0.872 1.00 2.97 H new ATOM 0 HD12 ILE A 46 -1.170 -3.830 -1.831 1.00 2.97 H new ATOM 0 HD13 ILE A 46 -0.429 -3.486 -0.250 1.00 2.97 H new ATOM 696 N LYS A 47 -5.763 -4.884 -0.387 1.00 1.07 N ATOM 697 CA LYS A 47 -6.097 -6.166 -0.934 1.00 1.11 C ATOM 698 C LYS A 47 -5.636 -6.118 -2.384 1.00 1.09 C ATOM 699 O LYS A 47 -5.814 -5.093 -3.047 1.00 1.19 O ATOM 700 CB LYS A 47 -7.581 -6.451 -0.712 1.00 1.17 C ATOM 701 CG LYS A 47 -7.893 -6.541 0.786 1.00 1.07 C ATOM 702 CD LYS A 47 -9.250 -7.207 1.028 1.00 1.85 C ATOM 703 CE LYS A 47 -9.503 -7.312 2.538 1.00 2.41 C ATOM 704 NZ LYS A 47 -10.696 -8.122 2.853 1.00 3.44 N ATOM 0 H LYS A 47 -6.109 -4.093 -0.931 1.00 1.07 H new ATOM 0 HA LYS A 47 -5.601 -7.007 -0.450 1.00 1.11 H new ATOM 0 HB2 LYS A 47 -8.181 -5.663 -1.167 1.00 1.17 H new ATOM 0 HB3 LYS A 47 -7.855 -7.385 -1.203 1.00 1.17 H new ATOM 0 HG2 LYS A 47 -7.111 -7.109 1.290 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -7.892 -5.542 1.221 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -10.042 -6.627 0.555 1.00 1.85 H new ATOM 0 HD3 LYS A 47 -9.267 -8.198 0.575 1.00 1.85 H new ATOM 0 HE2 LYS A 47 -8.630 -7.752 3.020 1.00 2.41 H new ATOM 0 HE3 LYS A 47 -9.626 -6.312 2.954 1.00 2.41 H new ATOM 0 HZ1 LYS A 47 -10.825 -8.163 3.884 1.00 3.44 H new ATOM 0 HZ2 LYS A 47 -11.535 -7.689 2.416 1.00 3.44 H new ATOM 0 HZ3 LYS A 47 -10.570 -9.085 2.481 1.00 3.44 H new ATOM 718 N TYR A 48 -4.955 -7.178 -2.817 1.00 1.12 N ATOM 719 CA TYR A 48 -4.229 -7.277 -4.077 1.00 1.02 C ATOM 720 C TYR A 48 -4.380 -8.702 -4.603 1.00 1.08 C ATOM 721 O TYR A 48 -4.945 -9.538 -3.904 1.00 1.61 O ATOM 722 CB TYR A 48 -2.750 -6.872 -3.900 1.00 0.96 C ATOM 723 CG TYR A 48 -1.757 -7.886 -3.330 1.00 0.89 C ATOM 724 CD1 TYR A 48 -2.132 -8.838 -2.363 1.00 1.99 C ATOM 725 CD2 TYR A 48 -0.407 -7.826 -3.729 1.00 1.66 C ATOM 726 CE1 TYR A 48 -1.186 -9.729 -1.830 1.00 2.13 C ATOM 727 CE2 TYR A 48 0.555 -8.662 -3.139 1.00 1.63 C ATOM 728 CZ TYR A 48 0.165 -9.615 -2.188 1.00 1.08 C ATOM 729 OH TYR A 48 1.097 -10.411 -1.591 1.00 1.24 O ATOM 0 H TYR A 48 -4.893 -8.035 -2.267 1.00 1.12 H new ATOM 0 HA TYR A 48 -4.645 -6.583 -4.807 1.00 1.02 H new ATOM 0 HB2 TYR A 48 -2.377 -6.562 -4.876 1.00 0.96 H new ATOM 0 HB3 TYR A 48 -2.726 -5.993 -3.256 1.00 0.96 H new ATOM 0 HD1 TYR A 48 -3.158 -8.884 -2.028 1.00 1.99 H new ATOM 0 HD2 TYR A 48 -0.108 -7.129 -4.498 1.00 1.66 H new ATOM 0 HE1 TYR A 48 -1.499 -10.502 -1.144 1.00 2.13 H new ATOM 0 HE2 TYR A 48 1.594 -8.571 -3.418 1.00 1.63 H new ATOM 0 HH TYR A 48 1.984 -10.205 -1.954 1.00 1.24 H new ATOM 739 N ASP A 49 -3.851 -8.994 -5.789 1.00 0.81 N ATOM 740 CA ASP A 49 -3.464 -10.346 -6.168 1.00 0.84 C ATOM 741 C ASP A 49 -1.933 -10.379 -6.267 1.00 0.92 C ATOM 742 O ASP A 49 -1.355 -9.458 -6.844 1.00 1.07 O ATOM 743 CB ASP A 49 -4.133 -10.736 -7.485 1.00 0.86 C ATOM 744 CG ASP A 49 -3.522 -12.017 -8.039 1.00 1.82 C ATOM 745 OD1 ASP A 49 -2.391 -11.926 -8.566 1.00 3.08 O ATOM 746 OD2 ASP A 49 -4.178 -13.066 -7.885 1.00 2.54 O ATOM 0 H ASP A 49 -3.679 -8.297 -6.514 1.00 0.81 H new ATOM 0 HA ASP A 49 -3.792 -11.073 -5.425 1.00 0.84 H new ATOM 0 HB2 ASP A 49 -5.203 -10.875 -7.328 1.00 0.86 H new ATOM 0 HB3 ASP A 49 -4.019 -9.930 -8.210 1.00 0.86 H new ATOM 751 N PRO A 50 -1.265 -11.387 -5.681 1.00 0.93 N ATOM 752 CA PRO A 50 0.185 -11.435 -5.580 1.00 1.05 C ATOM 753 C PRO A 50 0.877 -11.793 -6.898 1.00 1.23 C ATOM 754 O PRO A 50 2.085 -11.589 -7.007 1.00 1.93 O ATOM 755 CB PRO A 50 0.474 -12.501 -4.517 1.00 1.04 C ATOM 756 CG PRO A 50 -0.709 -13.456 -4.648 1.00 0.98 C ATOM 757 CD PRO A 50 -1.862 -12.510 -4.977 1.00 0.91 C ATOM 0 HA PRO A 50 0.576 -10.451 -5.320 1.00 1.05 H new ATOM 0 HB2 PRO A 50 1.422 -13.007 -4.702 1.00 1.04 H new ATOM 0 HB3 PRO A 50 0.533 -12.068 -3.518 1.00 1.04 H new ATOM 0 HG2 PRO A 50 -0.551 -14.192 -5.436 1.00 0.98 H new ATOM 0 HG3 PRO A 50 -0.888 -14.009 -3.726 1.00 0.98 H new ATOM 0 HD2 PRO A 50 -2.610 -13.006 -5.595 1.00 0.91 H new ATOM 0 HD3 PRO A 50 -2.367 -12.179 -4.070 1.00 0.91 H new ATOM 765 N GLU A 51 0.158 -12.362 -7.871 1.00 0.96 N ATOM 766 CA GLU A 51 0.740 -12.812 -9.122 1.00 1.09 C ATOM 767 C GLU A 51 0.708 -11.668 -10.131 1.00 1.02 C ATOM 768 O GLU A 51 1.730 -11.359 -10.742 1.00 1.57 O ATOM 769 CB GLU A 51 0.004 -14.058 -9.635 1.00 1.24 C ATOM 770 CG GLU A 51 0.151 -15.235 -8.656 1.00 2.25 C ATOM 771 CD GLU A 51 -0.421 -16.541 -9.198 1.00 2.39 C ATOM 772 OE1 GLU A 51 -0.457 -16.688 -10.439 1.00 2.71 O ATOM 773 OE2 GLU A 51 -0.787 -17.387 -8.353 1.00 3.06 O ATOM 0 H GLU A 51 -0.847 -12.520 -7.805 1.00 0.96 H new ATOM 0 HA GLU A 51 1.780 -13.099 -8.968 1.00 1.09 H new ATOM 0 HB2 GLU A 51 -1.052 -13.828 -9.774 1.00 1.24 H new ATOM 0 HB3 GLU A 51 0.400 -14.341 -10.610 1.00 1.24 H new ATOM 0 HG2 GLU A 51 1.207 -15.377 -8.424 1.00 2.25 H new ATOM 0 HG3 GLU A 51 -0.351 -14.986 -7.721 1.00 2.25 H new ATOM 780 N ILE A 52 -0.453 -11.025 -10.310 1.00 0.67 N ATOM 781 CA ILE A 52 -0.592 -9.971 -11.314 1.00 0.69 C ATOM 782 C ILE A 52 -0.170 -8.584 -10.803 1.00 0.79 C ATOM 783 O ILE A 52 -0.236 -7.618 -11.559 1.00 1.37 O ATOM 784 CB ILE A 52 -1.981 -9.989 -11.984 1.00 1.03 C ATOM 785 CG1 ILE A 52 -3.133 -9.732 -11.003 1.00 1.96 C ATOM 786 CG2 ILE A 52 -2.179 -11.327 -12.715 1.00 3.22 C ATOM 787 CD1 ILE A 52 -4.414 -9.299 -11.724 1.00 2.79 C ATOM 0 H ILE A 52 -1.301 -11.216 -9.776 1.00 0.67 H new ATOM 0 HA ILE A 52 0.125 -10.200 -12.103 1.00 0.69 H new ATOM 0 HB ILE A 52 -2.006 -9.165 -12.697 1.00 1.03 H new ATOM 0 HG12 ILE A 52 -3.329 -10.637 -10.428 1.00 1.96 H new ATOM 0 HG13 ILE A 52 -2.838 -8.960 -10.292 1.00 1.96 H new ATOM 0 HG21 ILE A 52 -3.160 -11.341 -13.189 1.00 3.22 H new ATOM 0 HG22 ILE A 52 -1.407 -11.444 -13.476 1.00 3.22 H new ATOM 0 HG23 ILE A 52 -2.110 -12.146 -11.999 1.00 3.22 H new ATOM 0 HD11 ILE A 52 -5.203 -9.128 -10.992 1.00 2.79 H new ATOM 0 HD12 ILE A 52 -4.227 -8.379 -12.278 1.00 2.79 H new ATOM 0 HD13 ILE A 52 -4.724 -10.082 -12.416 1.00 2.79 H new ATOM 799 N ILE A 53 0.299 -8.466 -9.556 1.00 0.56 N ATOM 800 CA ILE A 53 0.900 -7.243 -9.035 1.00 0.71 C ATOM 801 C ILE A 53 1.889 -7.670 -7.947 1.00 0.82 C ATOM 802 O ILE A 53 1.510 -8.380 -7.018 1.00 1.16 O ATOM 803 CB ILE A 53 -0.210 -6.278 -8.548 1.00 0.80 C ATOM 804 CG1 ILE A 53 -0.201 -4.914 -9.255 1.00 1.34 C ATOM 805 CG2 ILE A 53 -0.322 -6.104 -7.033 1.00 0.85 C ATOM 806 CD1 ILE A 53 1.015 -4.057 -8.915 1.00 0.81 C ATOM 0 H ILE A 53 0.270 -9.227 -8.877 1.00 0.56 H new ATOM 0 HA ILE A 53 1.447 -6.682 -9.793 1.00 0.71 H new ATOM 0 HB ILE A 53 -1.115 -6.806 -8.849 1.00 0.80 H new ATOM 0 HG12 ILE A 53 -0.233 -5.073 -10.333 1.00 1.34 H new ATOM 0 HG13 ILE A 53 -1.106 -4.369 -8.986 1.00 1.34 H new ATOM 0 HG21 ILE A 53 -1.130 -5.408 -6.805 1.00 0.85 H new ATOM 0 HG22 ILE A 53 -0.532 -7.068 -6.571 1.00 0.85 H new ATOM 0 HG23 ILE A 53 0.616 -5.711 -6.642 1.00 0.85 H new ATOM 0 HD11 ILE A 53 0.953 -3.109 -9.450 1.00 0.81 H new ATOM 0 HD12 ILE A 53 1.038 -3.867 -7.842 1.00 0.81 H new ATOM 0 HD13 ILE A 53 1.924 -4.582 -9.210 1.00 0.81 H new ATOM 818 N GLY A 54 3.168 -7.296 -8.048 1.00 1.07 N ATOM 819 CA GLY A 54 4.115 -7.697 -7.026 1.00 1.15 C ATOM 820 C GLY A 54 3.861 -6.901 -5.742 1.00 0.94 C ATOM 821 O GLY A 54 3.510 -5.721 -5.814 1.00 0.96 O ATOM 0 H GLY A 54 3.555 -6.733 -8.806 1.00 1.07 H new ATOM 0 HA2 GLY A 54 4.020 -8.765 -6.828 1.00 1.15 H new ATOM 0 HA3 GLY A 54 5.134 -7.527 -7.375 1.00 1.15 H new ATOM 825 N PRO A 55 4.117 -7.469 -4.553 1.00 0.90 N ATOM 826 CA PRO A 55 4.183 -6.669 -3.339 1.00 0.89 C ATOM 827 C PRO A 55 5.238 -5.573 -3.535 1.00 0.75 C ATOM 828 O PRO A 55 5.000 -4.402 -3.258 1.00 0.80 O ATOM 829 CB PRO A 55 4.523 -7.649 -2.213 1.00 1.04 C ATOM 830 CG PRO A 55 5.207 -8.820 -2.923 1.00 1.05 C ATOM 831 CD PRO A 55 4.578 -8.829 -4.318 1.00 1.00 C ATOM 0 HA PRO A 55 3.252 -6.157 -3.095 1.00 0.89 H new ATOM 0 HB2 PRO A 55 5.182 -7.193 -1.474 1.00 1.04 H new ATOM 0 HB3 PRO A 55 3.627 -7.973 -1.684 1.00 1.04 H new ATOM 0 HG2 PRO A 55 6.287 -8.680 -2.973 1.00 1.05 H new ATOM 0 HG3 PRO A 55 5.032 -9.760 -2.401 1.00 1.05 H new ATOM 0 HD2 PRO A 55 5.304 -9.132 -5.073 1.00 1.00 H new ATOM 0 HD3 PRO A 55 3.751 -9.537 -4.370 1.00 1.00 H new ATOM 839 N ARG A 56 6.387 -5.948 -4.100 1.00 0.68 N ATOM 840 CA ARG A 56 7.416 -5.019 -4.538 1.00 0.69 C ATOM 841 C ARG A 56 6.846 -3.910 -5.439 1.00 0.63 C ATOM 842 O ARG A 56 7.333 -2.795 -5.351 1.00 0.67 O ATOM 843 CB ARG A 56 8.595 -5.831 -5.113 1.00 0.85 C ATOM 844 CG ARG A 56 9.591 -5.204 -6.106 1.00 1.84 C ATOM 845 CD ARG A 56 10.178 -3.805 -5.860 1.00 2.90 C ATOM 846 NE ARG A 56 10.520 -3.475 -4.465 1.00 3.54 N ATOM 847 CZ ARG A 56 10.846 -2.221 -4.091 1.00 4.86 C ATOM 848 NH1 ARG A 56 10.943 -1.263 -5.016 1.00 5.81 N ATOM 849 NH2 ARG A 56 11.079 -1.919 -2.813 1.00 5.83 N ATOM 0 H ARG A 56 6.627 -6.925 -4.267 1.00 0.68 H new ATOM 0 HA ARG A 56 7.817 -4.451 -3.698 1.00 0.69 H new ATOM 0 HB2 ARG A 56 9.177 -6.191 -4.264 1.00 0.85 H new ATOM 0 HB3 ARG A 56 8.169 -6.707 -5.601 1.00 0.85 H new ATOM 0 HG2 ARG A 56 10.432 -5.892 -6.193 1.00 1.84 H new ATOM 0 HG3 ARG A 56 9.099 -5.178 -7.078 1.00 1.84 H new ATOM 0 HD2 ARG A 56 11.078 -3.700 -6.466 1.00 2.90 H new ATOM 0 HD3 ARG A 56 9.463 -3.066 -6.221 1.00 2.90 H new ATOM 0 HE ARG A 56 10.510 -4.215 -3.763 1.00 3.54 H new ATOM 0 HH11 ARG A 56 10.771 -1.482 -5.997 1.00 5.81 H new ATOM 0 HH12 ARG A 56 11.189 -0.312 -4.741 1.00 5.81 H new ATOM 0 HH21 ARG A 56 11.012 -2.643 -2.098 1.00 5.83 H new ATOM 0 HH22 ARG A 56 11.324 -0.964 -2.551 1.00 5.83 H new ATOM 863 N ASP A 57 5.817 -4.146 -6.261 1.00 0.65 N ATOM 864 CA ASP A 57 5.198 -3.097 -7.078 1.00 0.68 C ATOM 865 C ASP A 57 4.363 -2.118 -6.262 1.00 0.62 C ATOM 866 O ASP A 57 4.431 -0.900 -6.456 1.00 0.68 O ATOM 867 CB ASP A 57 4.393 -3.693 -8.227 1.00 0.76 C ATOM 868 CG ASP A 57 5.278 -4.505 -9.150 1.00 1.28 C ATOM 869 OD1 ASP A 57 6.377 -3.988 -9.464 1.00 2.39 O ATOM 870 OD2 ASP A 57 4.836 -5.629 -9.483 1.00 1.84 O ATOM 0 H ASP A 57 5.392 -5.066 -6.378 1.00 0.65 H new ATOM 0 HA ASP A 57 6.017 -2.516 -7.502 1.00 0.68 H new ATOM 0 HB2 ASP A 57 3.600 -4.326 -7.829 1.00 0.76 H new ATOM 0 HB3 ASP A 57 3.911 -2.894 -8.790 1.00 0.76 H new ATOM 875 N ILE A 58 3.570 -2.635 -5.327 1.00 0.57 N ATOM 876 CA ILE A 58 2.994 -1.778 -4.297 1.00 0.52 C ATOM 877 C ILE A 58 4.097 -0.905 -3.682 1.00 0.45 C ATOM 878 O ILE A 58 3.969 0.323 -3.653 1.00 0.45 O ATOM 879 CB ILE A 58 2.227 -2.633 -3.278 1.00 0.56 C ATOM 880 CG1 ILE A 58 0.933 -3.138 -3.923 1.00 0.68 C ATOM 881 CG2 ILE A 58 1.939 -1.882 -1.973 1.00 0.72 C ATOM 882 CD1 ILE A 58 0.730 -4.629 -3.669 1.00 0.62 C ATOM 0 H ILE A 58 3.316 -3.621 -5.261 1.00 0.57 H new ATOM 0 HA ILE A 58 2.262 -1.092 -4.724 1.00 0.52 H new ATOM 0 HB ILE A 58 2.856 -3.479 -3.002 1.00 0.56 H new ATOM 0 HG12 ILE A 58 0.085 -2.581 -3.525 1.00 0.68 H new ATOM 0 HG13 ILE A 58 0.962 -2.951 -4.996 1.00 0.68 H new ATOM 0 HG21 ILE A 58 1.395 -2.535 -1.290 1.00 0.72 H new ATOM 0 HG22 ILE A 58 2.879 -1.578 -1.513 1.00 0.72 H new ATOM 0 HG23 ILE A 58 1.338 -0.998 -2.187 1.00 0.72 H new ATOM 0 HD11 ILE A 58 -0.197 -4.955 -4.140 1.00 0.62 H new ATOM 0 HD12 ILE A 58 1.567 -5.187 -4.090 1.00 0.62 H new ATOM 0 HD13 ILE A 58 0.675 -4.811 -2.596 1.00 0.62 H new ATOM 894 N ILE A 59 5.208 -1.514 -3.254 1.00 0.48 N ATOM 895 CA ILE A 59 6.334 -0.754 -2.749 1.00 0.61 C ATOM 896 C ILE A 59 6.867 0.236 -3.807 1.00 0.65 C ATOM 897 O ILE A 59 7.079 1.392 -3.464 1.00 0.70 O ATOM 898 CB ILE A 59 7.415 -1.674 -2.150 1.00 0.71 C ATOM 899 CG1 ILE A 59 6.919 -2.688 -1.100 1.00 0.84 C ATOM 900 CG2 ILE A 59 8.470 -0.792 -1.498 1.00 0.74 C ATOM 901 CD1 ILE A 59 6.332 -2.072 0.171 1.00 2.08 C ATOM 0 H ILE A 59 5.342 -2.525 -3.251 1.00 0.48 H new ATOM 0 HA ILE A 59 5.987 -0.137 -1.920 1.00 0.61 H new ATOM 0 HB ILE A 59 7.795 -2.271 -2.979 1.00 0.71 H new ATOM 0 HG12 ILE A 59 6.162 -3.323 -1.560 1.00 0.84 H new ATOM 0 HG13 ILE A 59 7.751 -3.335 -0.821 1.00 0.84 H new ATOM 0 HG21 ILE A 59 9.250 -1.418 -1.064 1.00 0.74 H new ATOM 0 HG22 ILE A 59 8.908 -0.134 -2.248 1.00 0.74 H new ATOM 0 HG23 ILE A 59 8.008 -0.192 -0.714 1.00 0.74 H new ATOM 0 HD11 ILE A 59 6.012 -2.866 0.846 1.00 2.08 H new ATOM 0 HD12 ILE A 59 7.089 -1.461 0.662 1.00 2.08 H new ATOM 0 HD13 ILE A 59 5.476 -1.449 -0.088 1.00 2.08 H new ATOM 913 N HIS A 60 7.039 -0.159 -5.079 1.00 0.74 N ATOM 914 CA HIS A 60 7.481 0.725 -6.163 1.00 0.87 C ATOM 915 C HIS A 60 6.624 1.983 -6.169 1.00 0.65 C ATOM 916 O HIS A 60 7.132 3.093 -6.296 1.00 0.64 O ATOM 917 CB HIS A 60 7.379 0.075 -7.564 1.00 1.22 C ATOM 918 CG HIS A 60 8.436 -0.938 -7.929 1.00 1.41 C ATOM 919 ND1 HIS A 60 8.264 -2.140 -8.602 1.00 2.58 N ATOM 920 CD2 HIS A 60 9.782 -0.698 -7.867 1.00 1.93 C ATOM 921 CE1 HIS A 60 9.489 -2.626 -8.867 1.00 3.14 C ATOM 922 NE2 HIS A 60 10.447 -1.799 -8.408 1.00 2.81 N ATOM 0 H HIS A 60 6.871 -1.117 -5.385 1.00 0.74 H new ATOM 0 HA HIS A 60 8.531 0.946 -5.971 1.00 0.87 H new ATOM 0 HB2 HIS A 60 6.405 -0.408 -7.643 1.00 1.22 H new ATOM 0 HB3 HIS A 60 7.401 0.871 -8.309 1.00 1.22 H new ATOM 0 HD1 HIS A 60 7.374 -2.573 -8.849 1.00 2.58 H new ATOM 0 HD2 HIS A 60 10.249 0.190 -7.468 1.00 1.93 H new ATOM 0 HE1 HIS A 60 9.679 -3.557 -9.380 1.00 3.14 H new ATOM 930 N THR A 61 5.311 1.805 -6.053 1.00 0.58 N ATOM 931 CA THR A 61 4.377 2.913 -6.098 1.00 0.59 C ATOM 932 C THR A 61 4.605 3.818 -4.880 1.00 0.51 C ATOM 933 O THR A 61 4.827 5.019 -5.019 1.00 0.59 O ATOM 934 CB THR A 61 2.950 2.360 -6.199 1.00 0.68 C ATOM 935 OG1 THR A 61 2.893 1.379 -7.222 1.00 0.81 O ATOM 936 CG2 THR A 61 1.959 3.474 -6.544 1.00 0.84 C ATOM 0 H THR A 61 4.872 0.893 -5.926 1.00 0.58 H new ATOM 0 HA THR A 61 4.537 3.534 -6.979 1.00 0.59 H new ATOM 0 HB THR A 61 2.684 1.926 -5.235 1.00 0.68 H new ATOM 0 HG1 THR A 61 3.286 0.543 -6.895 1.00 0.81 H new ATOM 0 HG21 THR A 61 0.953 3.059 -6.611 1.00 0.84 H new ATOM 0 HG22 THR A 61 1.985 4.238 -5.767 1.00 0.84 H new ATOM 0 HG23 THR A 61 2.231 3.920 -7.501 1.00 0.84 H new ATOM 944 N ILE A 62 4.580 3.224 -3.686 1.00 0.44 N ATOM 945 CA ILE A 62 4.803 3.907 -2.414 1.00 0.50 C ATOM 946 C ILE A 62 6.101 4.740 -2.458 1.00 0.53 C ATOM 947 O ILE A 62 6.071 5.943 -2.178 1.00 0.62 O ATOM 948 CB ILE A 62 4.748 2.833 -1.307 1.00 0.52 C ATOM 949 CG1 ILE A 62 3.283 2.385 -1.127 1.00 0.57 C ATOM 950 CG2 ILE A 62 5.329 3.267 0.041 1.00 0.65 C ATOM 951 CD1 ILE A 62 3.131 1.177 -0.199 1.00 1.45 C ATOM 0 H ILE A 62 4.399 2.226 -3.576 1.00 0.44 H new ATOM 0 HA ILE A 62 4.030 4.645 -2.199 1.00 0.50 H new ATOM 0 HB ILE A 62 5.384 2.013 -1.640 1.00 0.52 H new ATOM 0 HG12 ILE A 62 2.702 3.217 -0.728 1.00 0.57 H new ATOM 0 HG13 ILE A 62 2.862 2.141 -2.102 1.00 0.57 H new ATOM 0 HG21 ILE A 62 5.246 2.447 0.754 1.00 0.65 H new ATOM 0 HG22 ILE A 62 6.378 3.534 -0.084 1.00 0.65 H new ATOM 0 HG23 ILE A 62 4.777 4.130 0.414 1.00 0.65 H new ATOM 0 HD11 ILE A 62 2.077 0.913 -0.115 1.00 1.45 H new ATOM 0 HD12 ILE A 62 3.685 0.332 -0.608 1.00 1.45 H new ATOM 0 HD13 ILE A 62 3.523 1.425 0.788 1.00 1.45 H new ATOM 963 N GLU A 63 7.213 4.111 -2.853 1.00 0.53 N ATOM 964 CA GLU A 63 8.498 4.753 -3.098 1.00 0.71 C ATOM 965 C GLU A 63 8.332 5.905 -4.096 1.00 0.61 C ATOM 966 O GLU A 63 8.714 7.039 -3.818 1.00 0.69 O ATOM 967 CB GLU A 63 9.497 3.710 -3.641 1.00 0.96 C ATOM 968 CG GLU A 63 9.936 2.675 -2.590 1.00 0.99 C ATOM 969 CD GLU A 63 10.713 1.499 -3.186 1.00 1.17 C ATOM 970 OE1 GLU A 63 10.692 1.316 -4.422 1.00 2.34 O ATOM 971 OE2 GLU A 63 11.276 0.702 -2.403 1.00 1.61 O ATOM 0 H GLU A 63 7.238 3.104 -3.015 1.00 0.53 H new ATOM 0 HA GLU A 63 8.882 5.162 -2.163 1.00 0.71 H new ATOM 0 HB2 GLU A 63 9.044 3.190 -4.485 1.00 0.96 H new ATOM 0 HB3 GLU A 63 10.378 4.226 -4.021 1.00 0.96 H new ATOM 0 HG2 GLU A 63 10.555 3.168 -1.841 1.00 0.99 H new ATOM 0 HG3 GLU A 63 9.054 2.295 -2.074 1.00 0.99 H new ATOM 978 N SER A 64 7.780 5.600 -5.274 1.00 0.56 N ATOM 979 CA SER A 64 7.714 6.523 -6.397 1.00 0.60 C ATOM 980 C SER A 64 6.861 7.756 -6.102 1.00 0.56 C ATOM 981 O SER A 64 7.061 8.773 -6.763 1.00 0.76 O ATOM 982 CB SER A 64 7.204 5.813 -7.657 1.00 0.66 C ATOM 983 OG SER A 64 7.286 6.677 -8.777 1.00 1.39 O ATOM 0 H SER A 64 7.362 4.691 -5.471 1.00 0.56 H new ATOM 0 HA SER A 64 8.732 6.873 -6.569 1.00 0.60 H new ATOM 0 HB2 SER A 64 7.793 4.914 -7.839 1.00 0.66 H new ATOM 0 HB3 SER A 64 6.172 5.494 -7.510 1.00 0.66 H new ATOM 0 HG SER A 64 7.318 7.607 -8.471 1.00 1.39 H new ATOM 989 N LEU A 65 5.886 7.670 -5.192 1.00 0.47 N ATOM 990 CA LEU A 65 5.205 8.856 -4.699 1.00 0.54 C ATOM 991 C LEU A 65 6.159 9.601 -3.757 1.00 0.65 C ATOM 992 O LEU A 65 6.953 10.414 -4.221 1.00 1.07 O ATOM 993 CB LEU A 65 3.853 8.489 -4.069 1.00 0.62 C ATOM 994 CG LEU A 65 2.722 8.415 -5.112 1.00 0.90 C ATOM 995 CD1 LEU A 65 2.887 7.297 -6.144 1.00 2.10 C ATOM 996 CD2 LEU A 65 1.382 8.222 -4.399 1.00 2.05 C ATOM 0 H LEU A 65 5.557 6.793 -4.788 1.00 0.47 H new ATOM 0 HA LEU A 65 4.955 9.534 -5.515 1.00 0.54 H new ATOM 0 HB2 LEU A 65 3.940 7.528 -3.562 1.00 0.62 H new ATOM 0 HB3 LEU A 65 3.596 9.228 -3.310 1.00 0.62 H new ATOM 0 HG LEU A 65 2.761 9.357 -5.658 1.00 0.90 H new ATOM 0 HD11 LEU A 65 2.048 7.317 -6.839 1.00 2.10 H new ATOM 0 HD12 LEU A 65 3.817 7.443 -6.693 1.00 2.10 H new ATOM 0 HD13 LEU A 65 2.914 6.333 -5.635 1.00 2.10 H new ATOM 0 HD21 LEU A 65 0.581 8.170 -5.137 1.00 2.05 H new ATOM 0 HD22 LEU A 65 1.406 7.297 -3.823 1.00 2.05 H new ATOM 0 HD23 LEU A 65 1.203 9.062 -3.728 1.00 2.05 H new ATOM 1008 N GLY A 66 6.073 9.382 -2.442 1.00 0.58 N ATOM 1009 CA GLY A 66 7.047 9.960 -1.523 1.00 0.71 C ATOM 1010 C GLY A 66 7.090 9.237 -0.184 1.00 0.66 C ATOM 1011 O GLY A 66 7.255 9.893 0.843 1.00 0.89 O ATOM 0 H GLY A 66 5.349 8.817 -1.998 1.00 0.58 H new ATOM 0 HA2 GLY A 66 8.036 9.928 -1.981 1.00 0.71 H new ATOM 0 HA3 GLY A 66 6.806 11.010 -1.357 1.00 0.71 H new ATOM 1015 N PHE A 67 6.878 7.917 -0.165 1.00 0.61 N ATOM 1016 CA PHE A 67 6.541 7.204 1.062 1.00 0.63 C ATOM 1017 C PHE A 67 7.439 5.978 1.230 1.00 0.74 C ATOM 1018 O PHE A 67 8.061 5.532 0.269 1.00 0.96 O ATOM 1019 CB PHE A 67 5.058 6.821 0.986 1.00 0.63 C ATOM 1020 CG PHE A 67 4.126 7.975 0.655 1.00 0.55 C ATOM 1021 CD1 PHE A 67 4.205 9.172 1.390 1.00 1.91 C ATOM 1022 CD2 PHE A 67 3.274 7.905 -0.466 1.00 2.15 C ATOM 1023 CE1 PHE A 67 3.479 10.303 0.986 1.00 1.97 C ATOM 1024 CE2 PHE A 67 2.486 9.013 -0.816 1.00 2.08 C ATOM 1025 CZ PHE A 67 2.609 10.219 -0.112 1.00 0.51 C ATOM 0 H PHE A 67 6.935 7.322 -0.992 1.00 0.61 H new ATOM 0 HA PHE A 67 6.707 7.834 1.936 1.00 0.63 H new ATOM 0 HB2 PHE A 67 4.935 6.043 0.232 1.00 0.63 H new ATOM 0 HB3 PHE A 67 4.757 6.390 1.941 1.00 0.63 H new ATOM 0 HD1 PHE A 67 4.828 9.221 2.271 1.00 1.91 H new ATOM 0 HD2 PHE A 67 3.228 7.001 -1.055 1.00 2.15 H new ATOM 0 HE1 PHE A 67 3.590 11.236 1.519 1.00 1.97 H new ATOM 0 HE2 PHE A 67 1.782 8.936 -1.631 1.00 2.08 H new ATOM 0 HZ PHE A 67 2.035 11.082 -0.414 1.00 0.51 H new ATOM 1035 N GLU A 68 7.486 5.424 2.445 1.00 0.73 N ATOM 1036 CA GLU A 68 8.199 4.188 2.760 1.00 0.84 C ATOM 1037 C GLU A 68 7.174 3.155 3.221 1.00 0.84 C ATOM 1038 O GLU A 68 6.113 3.542 3.709 1.00 0.93 O ATOM 1039 CB GLU A 68 9.179 4.434 3.909 1.00 0.97 C ATOM 1040 CG GLU A 68 10.233 5.514 3.649 1.00 1.69 C ATOM 1041 CD GLU A 68 10.992 5.748 4.940 1.00 2.10 C ATOM 1042 OE1 GLU A 68 10.464 6.495 5.788 1.00 2.47 O ATOM 1043 OE2 GLU A 68 11.994 5.043 5.185 1.00 3.01 O ATOM 0 H GLU A 68 7.018 5.834 3.253 1.00 0.73 H new ATOM 0 HA GLU A 68 8.743 3.842 1.881 1.00 0.84 H new ATOM 0 HB2 GLU A 68 8.610 4.710 4.797 1.00 0.97 H new ATOM 0 HB3 GLU A 68 9.690 3.498 4.136 1.00 0.97 H new ATOM 0 HG2 GLU A 68 10.914 5.199 2.858 1.00 1.69 H new ATOM 0 HG3 GLU A 68 9.759 6.436 3.313 1.00 1.69 H new ATOM 1050 N ALA A 69 7.490 1.858 3.128 1.00 0.89 N ATOM 1051 CA ALA A 69 6.646 0.803 3.677 1.00 0.92 C ATOM 1052 C ALA A 69 7.445 -0.457 3.982 1.00 1.02 C ATOM 1053 O ALA A 69 8.578 -0.603 3.526 1.00 1.19 O ATOM 1054 CB ALA A 69 5.496 0.492 2.715 1.00 1.41 C ATOM 0 H ALA A 69 8.336 1.516 2.671 1.00 0.89 H new ATOM 0 HA ALA A 69 6.233 1.163 4.619 1.00 0.92 H new ATOM 0 HB1 ALA A 69 4.873 -0.297 3.136 1.00 1.41 H new ATOM 0 HB2 ALA A 69 4.894 1.388 2.565 1.00 1.41 H new ATOM 0 HB3 ALA A 69 5.901 0.163 1.758 1.00 1.41 H new ATOM 1060 N SER A 70 6.838 -1.360 4.754 1.00 1.11 N ATOM 1061 CA SER A 70 7.412 -2.626 5.174 1.00 1.35 C ATOM 1062 C SER A 70 6.274 -3.601 5.482 1.00 1.33 C ATOM 1063 O SER A 70 5.212 -3.188 5.937 1.00 1.42 O ATOM 1064 CB SER A 70 8.288 -2.397 6.414 1.00 1.54 C ATOM 1065 OG SER A 70 7.576 -1.670 7.400 1.00 2.44 O ATOM 0 H SER A 70 5.895 -1.217 5.115 1.00 1.11 H new ATOM 0 HA SER A 70 8.035 -3.047 4.385 1.00 1.35 H new ATOM 0 HB2 SER A 70 8.608 -3.356 6.822 1.00 1.54 H new ATOM 0 HB3 SER A 70 9.190 -1.853 6.133 1.00 1.54 H new ATOM 0 HG SER A 70 8.149 -1.535 8.184 1.00 2.44 H new ATOM 1071 N LEU A 71 6.476 -4.898 5.253 1.00 1.35 N ATOM 1072 CA LEU A 71 5.589 -5.914 5.804 1.00 1.28 C ATOM 1073 C LEU A 71 5.867 -6.013 7.304 1.00 1.18 C ATOM 1074 O LEU A 71 7.007 -6.235 7.704 1.00 1.57 O ATOM 1075 CB LEU A 71 5.789 -7.260 5.088 1.00 1.49 C ATOM 1076 CG LEU A 71 7.254 -7.731 4.965 1.00 1.70 C ATOM 1077 CD1 LEU A 71 7.372 -9.210 5.349 1.00 2.72 C ATOM 1078 CD2 LEU A 71 7.774 -7.533 3.536 1.00 2.13 C ATOM 0 H LEU A 71 7.244 -5.266 4.692 1.00 1.35 H new ATOM 0 HA LEU A 71 4.546 -5.639 5.648 1.00 1.28 H new ATOM 0 HB2 LEU A 71 5.223 -8.024 5.621 1.00 1.49 H new ATOM 0 HB3 LEU A 71 5.363 -7.187 4.087 1.00 1.49 H new ATOM 0 HG LEU A 71 7.857 -7.130 5.646 1.00 1.70 H new ATOM 0 HD11 LEU A 71 8.411 -9.528 5.257 1.00 2.72 H new ATOM 0 HD12 LEU A 71 7.040 -9.346 6.378 1.00 2.72 H new ATOM 0 HD13 LEU A 71 6.749 -9.809 4.685 1.00 2.72 H new ATOM 0 HD21 LEU A 71 8.808 -7.872 3.475 1.00 2.13 H new ATOM 0 HD22 LEU A 71 7.161 -8.109 2.843 1.00 2.13 H new ATOM 0 HD23 LEU A 71 7.723 -6.476 3.273 1.00 2.13 H new ATOM 1090 N VAL A 72 4.831 -5.859 8.130 1.00 1.35 N ATOM 1091 CA VAL A 72 4.885 -6.154 9.553 1.00 1.43 C ATOM 1092 C VAL A 72 3.870 -7.263 9.811 1.00 1.47 C ATOM 1093 O VAL A 72 2.811 -7.274 9.184 1.00 2.56 O ATOM 1094 CB VAL A 72 4.638 -4.881 10.382 1.00 1.61 C ATOM 1095 CG1 VAL A 72 3.243 -4.282 10.168 1.00 2.37 C ATOM 1096 CG2 VAL A 72 4.858 -5.158 11.874 1.00 2.67 C ATOM 0 H VAL A 72 3.920 -5.521 7.820 1.00 1.35 H new ATOM 0 HA VAL A 72 5.871 -6.500 9.862 1.00 1.43 H new ATOM 0 HB VAL A 72 5.361 -4.145 10.030 1.00 1.61 H new ATOM 0 HG11 VAL A 72 3.133 -3.387 10.781 1.00 2.37 H new ATOM 0 HG12 VAL A 72 3.117 -4.020 9.118 1.00 2.37 H new ATOM 0 HG13 VAL A 72 2.486 -5.012 10.453 1.00 2.37 H new ATOM 0 HG21 VAL A 72 4.679 -4.246 12.444 1.00 2.67 H new ATOM 0 HG22 VAL A 72 4.169 -5.934 12.205 1.00 2.67 H new ATOM 0 HG23 VAL A 72 5.883 -5.491 12.035 1.00 2.67 H new ATOM 1106 N LYS A 73 4.239 -8.233 10.648 1.00 1.74 N ATOM 1107 CA LYS A 73 3.402 -9.348 11.078 1.00 1.94 C ATOM 1108 C LYS A 73 4.164 -10.174 12.119 1.00 2.48 C ATOM 1109 O LYS A 73 3.612 -10.522 13.158 1.00 3.53 O ATOM 1110 CB LYS A 73 2.857 -10.206 9.914 1.00 2.08 C ATOM 1111 CG LYS A 73 3.857 -10.718 8.860 1.00 2.49 C ATOM 1112 CD LYS A 73 4.064 -9.845 7.606 1.00 3.10 C ATOM 1113 CE LYS A 73 2.827 -9.737 6.693 1.00 3.46 C ATOM 1114 NZ LYS A 73 1.979 -8.552 6.940 1.00 4.10 N ATOM 0 H LYS A 73 5.171 -8.262 11.062 1.00 1.74 H new ATOM 0 HA LYS A 73 2.504 -8.935 11.538 1.00 1.94 H new ATOM 0 HB2 LYS A 73 2.354 -11.072 10.345 1.00 2.08 H new ATOM 0 HB3 LYS A 73 2.097 -9.621 9.396 1.00 2.08 H new ATOM 0 HG2 LYS A 73 4.824 -10.847 9.346 1.00 2.49 H new ATOM 0 HG3 LYS A 73 3.530 -11.705 8.535 1.00 2.49 H new ATOM 0 HD2 LYS A 73 4.357 -8.843 7.920 1.00 3.10 H new ATOM 0 HD3 LYS A 73 4.893 -10.253 7.027 1.00 3.10 H new ATOM 0 HE2 LYS A 73 3.159 -9.719 5.655 1.00 3.46 H new ATOM 0 HE3 LYS A 73 2.220 -10.634 6.819 1.00 3.46 H new ATOM 0 HZ1 LYS A 73 1.329 -8.417 6.139 1.00 4.10 H new ATOM 0 HZ2 LYS A 73 1.430 -8.694 7.812 1.00 4.10 H new ATOM 0 HZ3 LYS A 73 2.581 -7.710 7.043 1.00 4.10 H new ATOM 1128 N ILE A 74 5.445 -10.444 11.847 1.00 2.89 N ATOM 1129 CA ILE A 74 6.394 -10.990 12.811 1.00 3.80 C ATOM 1130 C ILE A 74 7.250 -9.831 13.330 1.00 4.80 C ATOM 1131 O ILE A 74 7.324 -9.614 14.537 1.00 5.65 O ATOM 1132 CB ILE A 74 7.252 -12.091 12.154 1.00 5.03 C ATOM 1133 CG1 ILE A 74 6.411 -13.198 11.490 1.00 5.84 C ATOM 1134 CG2 ILE A 74 8.230 -12.695 13.173 1.00 6.17 C ATOM 1135 CD1 ILE A 74 5.454 -13.928 12.439 1.00 6.33 C ATOM 0 H ILE A 74 5.856 -10.284 10.927 1.00 2.89 H new ATOM 0 HA ILE A 74 5.874 -11.457 13.648 1.00 3.80 H new ATOM 0 HB ILE A 74 7.816 -11.608 11.356 1.00 5.03 H new ATOM 0 HG12 ILE A 74 5.832 -12.758 10.678 1.00 5.84 H new ATOM 0 HG13 ILE A 74 7.085 -13.928 11.042 1.00 5.84 H new ATOM 0 HG21 ILE A 74 8.826 -13.470 12.690 1.00 6.17 H new ATOM 0 HG22 ILE A 74 8.889 -11.914 13.552 1.00 6.17 H new ATOM 0 HG23 ILE A 74 7.670 -13.131 14.000 1.00 6.17 H new ATOM 0 HD11 ILE A 74 4.904 -14.689 11.886 1.00 6.33 H new ATOM 0 HD12 ILE A 74 6.025 -14.401 13.238 1.00 6.33 H new ATOM 0 HD13 ILE A 74 4.752 -13.213 12.869 1.00 6.33 H new ATOM 1147 N GLU A 75 7.849 -9.089 12.392 1.00 5.70 N ATOM 1148 CA GLU A 75 8.883 -8.094 12.639 1.00 7.62 C ATOM 1149 C GLU A 75 10.166 -8.835 13.039 1.00 8.73 C ATOM 1150 O GLU A 75 10.899 -8.343 13.924 1.00 9.63 O ATOM 1151 CB GLU A 75 8.396 -7.002 13.615 1.00 8.31 C ATOM 1152 CG GLU A 75 8.953 -5.615 13.248 1.00 9.51 C ATOM 1153 CD GLU A 75 8.350 -4.501 14.095 1.00 10.49 C ATOM 1154 OE1 GLU A 75 7.102 -4.451 14.163 1.00 10.48 O ATOM 1155 OE2 GLU A 75 9.141 -3.694 14.630 1.00 11.58 O ATOM 1156 OXT GLU A 75 10.394 -9.901 12.422 1.00 9.14 O ATOM 0 H GLU A 75 7.613 -9.173 11.403 1.00 5.70 H new ATOM 0 HA GLU A 75 9.119 -7.524 11.740 1.00 7.62 H new ATOM 0 HB2 GLU A 75 7.307 -6.969 13.609 1.00 8.31 H new ATOM 0 HB3 GLU A 75 8.701 -7.259 14.629 1.00 8.31 H new ATOM 0 HG2 GLU A 75 10.036 -5.617 13.374 1.00 9.51 H new ATOM 0 HG3 GLU A 75 8.755 -5.414 12.195 1.00 9.51 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.545 14.925 3.009 1.00 0.68 CU