USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 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 29 HIS : no HD1:sc= -0.421 K(o=0.77,f=-1.5) USER MOD Set 1.2: A 61 THR OG1 : rot 76:sc= 1.19 USER MOD Set 2.1: A 25 SER OG : rot -86:sc= 1.02 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 179:sc= 1.16 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.293 (180deg=-0.0338) USER MOD Single : A 13 MET CE :methyl 172:sc= -0.929 (180deg=-0.957) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.041 USER MOD Single : A 20 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0845) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.477 USER MOD Single : A 36 SER OG : rot 27:sc= 1.26 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000706 USER MOD Single : A 42 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.275!) USER MOD Single : A 45 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.9) USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.171) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00347 USER MOD Single : A 60 HIS : no HE2:sc= 1.94 K(o=1.9,f=-9.8!) USER MOD Single : A 64 SER OG : rot 55:sc= 1.3 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 2.32 (180deg=1.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.601 -9.266 -14.178 1.00 7.95 N ATOM 2 CA MET A 1 -11.826 -10.078 -14.074 1.00 6.66 C ATOM 3 C MET A 1 -12.408 -10.054 -12.650 1.00 4.84 C ATOM 4 O MET A 1 -12.798 -11.100 -12.138 1.00 4.85 O ATOM 5 CB MET A 1 -11.580 -11.515 -14.563 1.00 7.41 C ATOM 6 CG MET A 1 -11.173 -11.598 -16.040 1.00 9.08 C ATOM 7 SD MET A 1 -11.043 -13.291 -16.667 1.00 10.33 S ATOM 8 CE MET A 1 -10.592 -12.962 -18.385 1.00 12.10 C ATOM 0 H1 MET A 1 -10.128 -9.465 -15.083 1.00 7.95 H new ATOM 0 H2 MET A 1 -10.848 -8.257 -14.131 1.00 7.95 H new ATOM 0 H3 MET A 1 -9.960 -9.502 -13.393 1.00 7.95 H new ATOM 0 HA MET A 1 -12.573 -9.630 -14.729 1.00 6.66 H new ATOM 0 HB2 MET A 1 -10.799 -11.969 -13.953 1.00 7.41 H new ATOM 0 HB3 MET A 1 -12.486 -12.102 -14.410 1.00 7.41 H new ATOM 0 HG2 MET A 1 -11.902 -11.053 -16.640 1.00 9.08 H new ATOM 0 HG3 MET A 1 -10.214 -11.097 -16.172 1.00 9.08 H new ATOM 0 HE1 MET A 1 -10.472 -13.906 -18.917 1.00 12.10 H new ATOM 0 HE2 MET A 1 -11.377 -12.374 -18.861 1.00 12.10 H new ATOM 0 HE3 MET A 1 -9.654 -12.407 -18.415 1.00 12.10 H new ATOM 20 N GLY A 2 -12.484 -8.879 -12.015 1.00 4.05 N ATOM 21 CA GLY A 2 -12.846 -8.762 -10.608 1.00 2.96 C ATOM 22 C GLY A 2 -11.541 -8.556 -9.854 1.00 2.18 C ATOM 23 O GLY A 2 -10.933 -9.516 -9.394 1.00 2.67 O ATOM 0 H GLY A 2 -12.295 -7.985 -12.467 1.00 4.05 H new ATOM 0 HA2 GLY A 2 -13.525 -7.924 -10.448 1.00 2.96 H new ATOM 0 HA3 GLY A 2 -13.359 -9.659 -10.261 1.00 2.96 H new ATOM 27 N ASP A 3 -11.074 -7.305 -9.848 1.00 2.11 N ATOM 28 CA ASP A 3 -9.670 -6.963 -9.692 1.00 1.82 C ATOM 29 C ASP A 3 -9.591 -5.865 -8.636 1.00 1.72 C ATOM 30 O ASP A 3 -10.001 -4.734 -8.899 1.00 2.48 O ATOM 31 CB ASP A 3 -9.117 -6.482 -11.051 1.00 2.02 C ATOM 32 CG ASP A 3 -9.559 -7.368 -12.207 1.00 3.13 C ATOM 33 OD1 ASP A 3 -8.891 -8.383 -12.503 1.00 4.35 O ATOM 34 OD2 ASP A 3 -10.625 -7.085 -12.807 1.00 3.72 O ATOM 0 H ASP A 3 -11.678 -6.490 -9.954 1.00 2.11 H new ATOM 0 HA ASP A 3 -9.073 -7.818 -9.375 1.00 1.82 H new ATOM 0 HB2 ASP A 3 -9.449 -5.460 -11.233 1.00 2.02 H new ATOM 0 HB3 ASP A 3 -8.028 -6.461 -11.009 1.00 2.02 H new ATOM 39 N GLY A 4 -9.128 -6.193 -7.431 1.00 1.82 N ATOM 40 CA GLY A 4 -9.151 -5.272 -6.311 1.00 2.12 C ATOM 41 C GLY A 4 -8.398 -3.973 -6.592 1.00 1.65 C ATOM 42 O GLY A 4 -7.363 -3.981 -7.257 1.00 1.99 O ATOM 0 H GLY A 4 -8.728 -7.105 -7.210 1.00 1.82 H new ATOM 0 HA2 GLY A 4 -10.186 -5.039 -6.060 1.00 2.12 H new ATOM 0 HA3 GLY A 4 -8.714 -5.758 -5.439 1.00 2.12 H new ATOM 46 N VAL A 5 -8.913 -2.856 -6.068 1.00 1.40 N ATOM 47 CA VAL A 5 -8.306 -1.534 -6.151 1.00 1.10 C ATOM 48 C VAL A 5 -8.674 -0.741 -4.902 1.00 1.19 C ATOM 49 O VAL A 5 -9.836 -0.382 -4.736 1.00 1.58 O ATOM 50 CB VAL A 5 -8.768 -0.766 -7.408 1.00 1.44 C ATOM 51 CG1 VAL A 5 -7.894 -1.119 -8.608 1.00 2.17 C ATOM 52 CG2 VAL A 5 -10.241 -0.992 -7.786 1.00 3.17 C ATOM 0 H VAL A 5 -9.796 -2.853 -5.557 1.00 1.40 H new ATOM 0 HA VAL A 5 -7.225 -1.659 -6.221 1.00 1.10 H new ATOM 0 HB VAL A 5 -8.665 0.287 -7.146 1.00 1.44 H new ATOM 0 HG11 VAL A 5 -8.237 -0.567 -9.483 1.00 2.17 H new ATOM 0 HG12 VAL A 5 -6.859 -0.854 -8.394 1.00 2.17 H new ATOM 0 HG13 VAL A 5 -7.961 -2.189 -8.805 1.00 2.17 H new ATOM 0 HG21 VAL A 5 -10.480 -0.415 -8.680 1.00 3.17 H new ATOM 0 HG22 VAL A 5 -10.408 -2.051 -7.982 1.00 3.17 H new ATOM 0 HG23 VAL A 5 -10.881 -0.670 -6.965 1.00 3.17 H new ATOM 62 N LEU A 6 -7.698 -0.431 -4.045 1.00 0.94 N ATOM 63 CA LEU A 6 -7.835 0.646 -3.077 1.00 0.92 C ATOM 64 C LEU A 6 -6.521 1.422 -3.042 1.00 0.88 C ATOM 65 O LEU A 6 -5.476 0.925 -3.478 1.00 0.88 O ATOM 66 CB LEU A 6 -8.253 0.132 -1.690 1.00 1.02 C ATOM 67 CG LEU A 6 -9.750 -0.227 -1.597 1.00 2.18 C ATOM 68 CD1 LEU A 6 -9.994 -1.731 -1.785 1.00 3.15 C ATOM 69 CD2 LEU A 6 -10.326 0.212 -0.246 1.00 2.61 C ATOM 0 H LEU A 6 -6.802 -0.917 -4.007 1.00 0.94 H new ATOM 0 HA LEU A 6 -8.640 1.314 -3.383 1.00 0.92 H new ATOM 0 HB2 LEU A 6 -7.660 -0.748 -1.443 1.00 1.02 H new ATOM 0 HB3 LEU A 6 -8.022 0.892 -0.944 1.00 1.02 H new ATOM 0 HG LEU A 6 -10.254 0.305 -2.404 1.00 2.18 H new ATOM 0 HD11 LEU A 6 -11.062 -1.938 -1.712 1.00 3.15 H new ATOM 0 HD12 LEU A 6 -9.631 -2.039 -2.766 1.00 3.15 H new ATOM 0 HD13 LEU A 6 -9.463 -2.285 -1.011 1.00 3.15 H new ATOM 0 HD21 LEU A 6 -11.383 -0.050 -0.199 1.00 2.61 H new ATOM 0 HD22 LEU A 6 -9.791 -0.292 0.559 1.00 2.61 H new ATOM 0 HD23 LEU A 6 -10.214 1.291 -0.136 1.00 2.61 H new ATOM 81 N GLU A 7 -6.602 2.670 -2.574 1.00 0.96 N ATOM 82 CA GLU A 7 -5.530 3.638 -2.649 1.00 0.89 C ATOM 83 C GLU A 7 -5.459 4.387 -1.316 1.00 0.73 C ATOM 84 O GLU A 7 -6.495 4.773 -0.772 1.00 1.11 O ATOM 85 CB GLU A 7 -5.785 4.559 -3.852 1.00 1.19 C ATOM 86 CG GLU A 7 -4.497 5.291 -4.213 1.00 1.47 C ATOM 87 CD GLU A 7 -4.590 6.058 -5.522 1.00 1.42 C ATOM 88 OE1 GLU A 7 -4.978 7.240 -5.483 1.00 2.10 O ATOM 89 OE2 GLU A 7 -4.089 5.519 -6.535 1.00 2.32 O ATOM 0 H GLU A 7 -7.441 3.034 -2.123 1.00 0.96 H new ATOM 0 HA GLU A 7 -4.560 3.165 -2.806 1.00 0.89 H new ATOM 0 HB2 GLU A 7 -6.135 3.975 -4.703 1.00 1.19 H new ATOM 0 HB3 GLU A 7 -6.570 5.277 -3.614 1.00 1.19 H new ATOM 0 HG2 GLU A 7 -4.244 5.984 -3.411 1.00 1.47 H new ATOM 0 HG3 GLU A 7 -3.683 4.569 -4.280 1.00 1.47 H new ATOM 96 N LEU A 8 -4.249 4.524 -0.769 1.00 0.48 N ATOM 97 CA LEU A 8 -4.006 5.010 0.584 1.00 0.54 C ATOM 98 C LEU A 8 -2.756 5.896 0.569 1.00 0.45 C ATOM 99 O LEU A 8 -1.788 5.596 -0.130 1.00 0.48 O ATOM 100 CB LEU A 8 -3.887 3.828 1.574 1.00 0.66 C ATOM 101 CG LEU A 8 -3.063 2.641 1.035 1.00 0.68 C ATOM 102 CD1 LEU A 8 -2.295 1.980 2.180 1.00 0.97 C ATOM 103 CD2 LEU A 8 -3.951 1.569 0.384 1.00 1.40 C ATOM 0 H LEU A 8 -3.391 4.293 -1.271 1.00 0.48 H new ATOM 0 HA LEU A 8 -4.847 5.612 0.929 1.00 0.54 H new ATOM 0 HB2 LEU A 8 -3.430 4.185 2.497 1.00 0.66 H new ATOM 0 HB3 LEU A 8 -4.887 3.477 1.828 1.00 0.66 H new ATOM 0 HG LEU A 8 -2.383 3.042 0.283 1.00 0.68 H new ATOM 0 HD11 LEU A 8 -1.715 1.142 1.793 1.00 0.97 H new ATOM 0 HD12 LEU A 8 -1.623 2.708 2.635 1.00 0.97 H new ATOM 0 HD13 LEU A 8 -2.999 1.618 2.929 1.00 0.97 H new ATOM 0 HD21 LEU A 8 -3.328 0.753 0.019 1.00 1.40 H new ATOM 0 HD22 LEU A 8 -4.657 1.185 1.120 1.00 1.40 H new ATOM 0 HD23 LEU A 8 -4.499 2.008 -0.450 1.00 1.40 H new ATOM 115 N VAL A 9 -2.781 7.012 1.306 1.00 0.43 N ATOM 116 CA VAL A 9 -1.668 7.946 1.387 1.00 0.43 C ATOM 117 C VAL A 9 -0.718 7.445 2.474 1.00 0.40 C ATOM 118 O VAL A 9 -0.993 7.615 3.661 1.00 0.51 O ATOM 119 CB VAL A 9 -2.154 9.390 1.605 1.00 0.58 C ATOM 120 CG1 VAL A 9 -0.980 10.378 1.601 1.00 0.83 C ATOM 121 CG2 VAL A 9 -3.100 9.803 0.473 1.00 1.00 C ATOM 0 H VAL A 9 -3.587 7.289 1.867 1.00 0.43 H new ATOM 0 HA VAL A 9 -1.125 7.983 0.443 1.00 0.43 H new ATOM 0 HB VAL A 9 -2.660 9.417 2.570 1.00 0.58 H new ATOM 0 HG11 VAL A 9 -1.355 11.389 1.757 1.00 0.83 H new ATOM 0 HG12 VAL A 9 -0.285 10.121 2.401 1.00 0.83 H new ATOM 0 HG13 VAL A 9 -0.464 10.326 0.642 1.00 0.83 H new ATOM 0 HG21 VAL A 9 -3.438 10.826 0.637 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.575 9.742 -0.480 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.961 9.135 0.456 1.00 1.00 H new ATOM 131 N VAL A 10 0.368 6.790 2.064 1.00 0.49 N ATOM 132 CA VAL A 10 1.381 6.219 2.923 1.00 0.44 C ATOM 133 C VAL A 10 2.386 7.309 3.296 1.00 0.47 C ATOM 134 O VAL A 10 3.500 7.355 2.777 1.00 0.61 O ATOM 135 CB VAL A 10 1.996 4.983 2.238 1.00 0.49 C ATOM 136 CG1 VAL A 10 0.938 3.887 2.099 1.00 0.69 C ATOM 137 CG2 VAL A 10 2.607 5.214 0.850 1.00 0.72 C ATOM 0 H VAL A 10 0.566 6.641 1.075 1.00 0.49 H new ATOM 0 HA VAL A 10 0.961 5.858 3.862 1.00 0.44 H new ATOM 0 HB VAL A 10 2.820 4.702 2.894 1.00 0.49 H new ATOM 0 HG11 VAL A 10 1.378 3.016 1.614 1.00 0.69 H new ATOM 0 HG12 VAL A 10 0.573 3.607 3.087 1.00 0.69 H new ATOM 0 HG13 VAL A 10 0.108 4.257 1.497 1.00 0.69 H new ATOM 0 HG21 VAL A 10 3.008 4.275 0.468 1.00 0.72 H new ATOM 0 HG22 VAL A 10 1.838 5.583 0.171 1.00 0.72 H new ATOM 0 HG23 VAL A 10 3.409 5.948 0.923 1.00 0.72 H new ATOM 147 N ARG A 11 2.015 8.197 4.219 1.00 0.50 N ATOM 148 CA ARG A 11 2.898 9.315 4.522 1.00 0.63 C ATOM 149 C ARG A 11 4.051 8.798 5.387 1.00 0.54 C ATOM 150 O ARG A 11 3.855 7.915 6.223 1.00 0.64 O ATOM 151 CB ARG A 11 2.140 10.501 5.143 1.00 0.94 C ATOM 152 CG ARG A 11 1.608 10.213 6.548 1.00 1.37 C ATOM 153 CD ARG A 11 0.946 11.438 7.191 1.00 1.84 C ATOM 154 NE ARG A 11 0.773 11.198 8.633 1.00 2.85 N ATOM 155 CZ ARG A 11 -0.090 11.795 9.465 1.00 3.59 C ATOM 156 NH1 ARG A 11 -0.823 12.825 9.030 1.00 3.96 N ATOM 157 NH2 ARG A 11 -0.216 11.364 10.722 1.00 4.82 N ATOM 0 H ARG A 11 1.144 8.166 4.749 1.00 0.50 H new ATOM 0 HA ARG A 11 3.317 9.720 3.601 1.00 0.63 H new ATOM 0 HB2 ARG A 11 2.803 11.365 5.184 1.00 0.94 H new ATOM 0 HB3 ARG A 11 1.306 10.769 4.495 1.00 0.94 H new ATOM 0 HG2 ARG A 11 0.886 9.398 6.499 1.00 1.37 H new ATOM 0 HG3 ARG A 11 2.428 9.874 7.181 1.00 1.37 H new ATOM 0 HD2 ARG A 11 1.560 12.324 7.029 1.00 1.84 H new ATOM 0 HD3 ARG A 11 -0.020 11.630 6.724 1.00 1.84 H new ATOM 0 HE ARG A 11 1.383 10.493 9.048 1.00 2.85 H new ATOM 0 HH11 ARG A 11 -0.723 13.152 8.069 1.00 3.96 H new ATOM 0 HH12 ARG A 11 -1.482 13.284 9.659 1.00 3.96 H new ATOM 0 HH21 ARG A 11 0.346 10.578 11.051 1.00 4.82 H new ATOM 0 HH22 ARG A 11 -0.874 11.820 11.354 1.00 4.82 H new ATOM 171 N GLY A 12 5.260 9.306 5.136 1.00 0.55 N ATOM 172 CA GLY A 12 6.475 8.871 5.809 1.00 0.54 C ATOM 173 C GLY A 12 7.566 8.536 4.796 1.00 0.52 C ATOM 174 O GLY A 12 8.723 8.896 5.004 1.00 0.65 O ATOM 0 H GLY A 12 5.419 10.042 4.448 1.00 0.55 H new ATOM 0 HA2 GLY A 12 6.825 9.655 6.481 1.00 0.54 H new ATOM 0 HA3 GLY A 12 6.262 7.996 6.424 1.00 0.54 H new ATOM 178 N MET A 13 7.219 7.838 3.707 1.00 0.56 N ATOM 179 CA MET A 13 8.212 7.493 2.700 1.00 0.64 C ATOM 180 C MET A 13 8.747 8.760 2.029 1.00 0.74 C ATOM 181 O MET A 13 8.033 9.755 1.941 1.00 1.05 O ATOM 182 CB MET A 13 7.656 6.480 1.695 1.00 0.98 C ATOM 183 CG MET A 13 6.511 6.992 0.824 1.00 0.94 C ATOM 184 SD MET A 13 6.067 5.822 -0.483 1.00 1.21 S ATOM 185 CE MET A 13 4.902 6.851 -1.381 1.00 1.32 C ATOM 0 H MET A 13 6.274 7.509 3.509 1.00 0.56 H new ATOM 0 HA MET A 13 9.055 7.004 3.188 1.00 0.64 H new ATOM 0 HB2 MET A 13 8.468 6.153 1.045 1.00 0.98 H new ATOM 0 HB3 MET A 13 7.312 5.602 2.241 1.00 0.98 H new ATOM 0 HG2 MET A 13 5.639 7.183 1.449 1.00 0.94 H new ATOM 0 HG3 MET A 13 6.796 7.944 0.375 1.00 0.94 H new ATOM 0 HE1 MET A 13 4.620 6.356 -2.310 1.00 1.32 H new ATOM 0 HE2 MET A 13 4.013 7.011 -0.771 1.00 1.32 H new ATOM 0 HE3 MET A 13 5.365 7.812 -1.608 1.00 1.32 H new ATOM 195 N THR A 14 10.007 8.729 1.585 1.00 0.77 N ATOM 196 CA THR A 14 10.720 9.927 1.151 1.00 0.99 C ATOM 197 C THR A 14 11.581 9.684 -0.095 1.00 0.82 C ATOM 198 O THR A 14 11.640 10.553 -0.965 1.00 0.99 O ATOM 199 CB THR A 14 11.489 10.518 2.347 1.00 1.52 C ATOM 200 OG1 THR A 14 12.039 11.775 2.014 1.00 2.13 O ATOM 201 CG2 THR A 14 12.605 9.606 2.867 1.00 2.16 C ATOM 0 H THR A 14 10.558 7.873 1.518 1.00 0.77 H new ATOM 0 HA THR A 14 10.000 10.676 0.822 1.00 0.99 H new ATOM 0 HB THR A 14 10.755 10.623 3.146 1.00 1.52 H new ATOM 0 HG1 THR A 14 12.522 12.136 2.786 1.00 2.13 H new ATOM 0 HG21 THR A 14 13.104 10.086 3.709 1.00 2.16 H new ATOM 0 HG22 THR A 14 12.178 8.657 3.191 1.00 2.16 H new ATOM 0 HG23 THR A 14 13.328 9.426 2.071 1.00 2.16 H new ATOM 209 N CYS A 15 12.225 8.516 -0.222 1.00 0.83 N ATOM 210 CA CYS A 15 13.117 8.208 -1.333 1.00 0.75 C ATOM 211 C CYS A 15 12.853 6.802 -1.873 1.00 0.64 C ATOM 212 O CYS A 15 12.140 6.009 -1.257 1.00 0.58 O ATOM 213 CB CYS A 15 14.570 8.392 -0.880 1.00 0.91 C ATOM 214 SG CYS A 15 15.033 7.546 0.654 1.00 1.21 S ATOM 0 H CYS A 15 12.136 7.756 0.453 1.00 0.83 H new ATOM 0 HA CYS A 15 12.926 8.896 -2.157 1.00 0.75 H new ATOM 0 HB2 CYS A 15 15.226 8.043 -1.677 1.00 0.91 H new ATOM 0 HB3 CYS A 15 14.759 9.458 -0.756 1.00 0.91 H new ATOM 219 N ALA A 16 13.442 6.499 -3.035 1.00 0.68 N ATOM 220 CA ALA A 16 13.304 5.226 -3.735 1.00 0.67 C ATOM 221 C ALA A 16 13.506 4.031 -2.798 1.00 0.63 C ATOM 222 O ALA A 16 12.805 3.023 -2.905 1.00 0.62 O ATOM 223 CB ALA A 16 14.299 5.173 -4.897 1.00 0.83 C ATOM 0 H ALA A 16 14.047 7.157 -3.526 1.00 0.68 H new ATOM 0 HA ALA A 16 12.287 5.159 -4.121 1.00 0.67 H new ATOM 0 HB1 ALA A 16 14.197 4.222 -5.421 1.00 0.83 H new ATOM 0 HB2 ALA A 16 14.096 5.991 -5.588 1.00 0.83 H new ATOM 0 HB3 ALA A 16 15.314 5.267 -4.511 1.00 0.83 H new ATOM 229 N SER A 17 14.460 4.165 -1.872 1.00 0.68 N ATOM 230 CA SER A 17 14.726 3.220 -0.806 1.00 0.72 C ATOM 231 C SER A 17 13.444 2.763 -0.104 1.00 0.68 C ATOM 232 O SER A 17 13.284 1.578 0.172 1.00 0.80 O ATOM 233 CB SER A 17 15.704 3.872 0.171 1.00 0.84 C ATOM 234 OG SER A 17 16.775 4.430 -0.569 1.00 1.79 O ATOM 0 H SER A 17 15.087 4.969 -1.852 1.00 0.68 H new ATOM 0 HA SER A 17 15.167 2.316 -1.226 1.00 0.72 H new ATOM 0 HB2 SER A 17 15.201 4.646 0.751 1.00 0.84 H new ATOM 0 HB3 SER A 17 16.078 3.134 0.881 1.00 0.84 H new ATOM 0 HG SER A 17 17.411 4.854 0.045 1.00 1.79 H new ATOM 240 N CYS A 18 12.545 3.703 0.198 1.00 0.59 N ATOM 241 CA CYS A 18 11.242 3.412 0.767 1.00 0.57 C ATOM 242 C CYS A 18 10.328 2.765 -0.275 1.00 0.58 C ATOM 243 O CYS A 18 9.740 1.718 -0.015 1.00 0.72 O ATOM 244 CB CYS A 18 10.625 4.703 1.305 1.00 0.59 C ATOM 245 SG CYS A 18 11.675 5.633 2.449 1.00 0.73 S ATOM 0 H CYS A 18 12.711 4.698 0.049 1.00 0.59 H new ATOM 0 HA CYS A 18 11.360 2.704 1.588 1.00 0.57 H new ATOM 0 HB2 CYS A 18 10.373 5.346 0.462 1.00 0.59 H new ATOM 0 HB3 CYS A 18 9.691 4.459 1.810 1.00 0.59 H new ATOM 250 N VAL A 19 10.203 3.398 -1.447 1.00 0.46 N ATOM 251 CA VAL A 19 9.285 3.017 -2.515 1.00 0.42 C ATOM 252 C VAL A 19 9.384 1.518 -2.739 1.00 0.44 C ATOM 253 O VAL A 19 8.423 0.770 -2.546 1.00 0.42 O ATOM 254 CB VAL A 19 9.628 3.784 -3.810 1.00 0.45 C ATOM 255 CG1 VAL A 19 8.788 3.360 -5.022 1.00 0.51 C ATOM 256 CG2 VAL A 19 9.474 5.288 -3.595 1.00 0.47 C ATOM 0 H VAL A 19 10.761 4.219 -1.682 1.00 0.46 H new ATOM 0 HA VAL A 19 8.264 3.272 -2.232 1.00 0.42 H new ATOM 0 HB VAL A 19 10.664 3.532 -4.036 1.00 0.45 H new ATOM 0 HG11 VAL A 19 9.087 3.943 -5.893 1.00 0.51 H new ATOM 0 HG12 VAL A 19 8.947 2.300 -5.222 1.00 0.51 H new ATOM 0 HG13 VAL A 19 7.733 3.535 -4.813 1.00 0.51 H new ATOM 0 HG21 VAL A 19 9.720 5.814 -4.517 1.00 0.47 H new ATOM 0 HG22 VAL A 19 8.445 5.512 -3.312 1.00 0.47 H new ATOM 0 HG23 VAL A 19 10.147 5.613 -2.802 1.00 0.47 H new ATOM 266 N HIS A 20 10.588 1.085 -3.108 1.00 0.53 N ATOM 267 CA HIS A 20 10.810 -0.292 -3.458 1.00 0.61 C ATOM 268 C HIS A 20 10.653 -1.212 -2.245 1.00 0.63 C ATOM 269 O HIS A 20 10.336 -2.388 -2.410 1.00 0.67 O ATOM 270 CB HIS A 20 12.125 -0.402 -4.234 1.00 0.71 C ATOM 271 CG HIS A 20 13.418 -0.005 -3.563 1.00 0.76 C ATOM 272 ND1 HIS A 20 14.507 0.509 -4.230 1.00 0.89 N ATOM 273 CD2 HIS A 20 13.825 -0.290 -2.286 1.00 0.78 C ATOM 274 CE1 HIS A 20 15.542 0.528 -3.374 1.00 0.96 C ATOM 275 NE2 HIS A 20 15.179 0.036 -2.181 1.00 0.90 N ATOM 0 H HIS A 20 11.416 1.677 -3.168 1.00 0.53 H new ATOM 0 HA HIS A 20 10.038 -0.657 -4.136 1.00 0.61 H new ATOM 0 HB2 HIS A 20 12.229 -1.438 -4.556 1.00 0.71 H new ATOM 0 HB3 HIS A 20 12.025 0.204 -5.135 1.00 0.71 H new ATOM 0 HD2 HIS A 20 13.207 -0.696 -1.499 1.00 0.78 H new ATOM 0 HE1 HIS A 20 16.531 0.890 -3.614 1.00 0.96 H new ATOM 0 HE2 HIS A 20 15.773 -0.078 -1.360 1.00 0.90 H new ATOM 283 N LYS A 21 10.818 -0.684 -1.026 1.00 0.62 N ATOM 284 CA LYS A 21 10.585 -1.431 0.197 1.00 0.68 C ATOM 285 C LYS A 21 9.098 -1.747 0.281 1.00 0.57 C ATOM 286 O LYS A 21 8.734 -2.911 0.446 1.00 0.64 O ATOM 287 CB LYS A 21 11.056 -0.635 1.429 1.00 0.82 C ATOM 288 CG LYS A 21 12.179 -1.324 2.210 1.00 1.29 C ATOM 289 CD LYS A 21 11.641 -2.525 3.004 1.00 2.71 C ATOM 290 CE LYS A 21 12.728 -3.198 3.856 1.00 3.69 C ATOM 291 NZ LYS A 21 13.270 -2.302 4.900 1.00 4.02 N ATOM 0 H LYS A 21 11.118 0.278 -0.869 1.00 0.62 H new ATOM 0 HA LYS A 21 11.159 -2.357 0.183 1.00 0.68 H new ATOM 0 HB2 LYS A 21 11.399 0.348 1.107 1.00 0.82 H new ATOM 0 HB3 LYS A 21 10.207 -0.475 2.094 1.00 0.82 H new ATOM 0 HG2 LYS A 21 12.955 -1.657 1.521 1.00 1.29 H new ATOM 0 HG3 LYS A 21 12.643 -0.611 2.892 1.00 1.29 H new ATOM 0 HD2 LYS A 21 10.829 -2.195 3.651 1.00 2.71 H new ATOM 0 HD3 LYS A 21 11.221 -3.255 2.313 1.00 2.71 H new ATOM 0 HE2 LYS A 21 12.315 -4.090 4.327 1.00 3.69 H new ATOM 0 HE3 LYS A 21 13.540 -3.527 3.208 1.00 3.69 H new ATOM 0 HZ1 LYS A 21 13.884 -2.846 5.539 1.00 4.02 H new ATOM 0 HZ2 LYS A 21 13.822 -1.542 4.453 1.00 4.02 H new ATOM 0 HZ3 LYS A 21 12.486 -1.887 5.443 1.00 4.02 H new ATOM 305 N ILE A 22 8.242 -0.723 0.168 1.00 0.46 N ATOM 306 CA ILE A 22 6.803 -0.944 0.209 1.00 0.42 C ATOM 307 C ILE A 22 6.424 -1.899 -0.916 1.00 0.37 C ATOM 308 O ILE A 22 5.837 -2.942 -0.646 1.00 0.42 O ATOM 309 CB ILE A 22 5.973 0.355 0.155 1.00 0.45 C ATOM 310 CG1 ILE A 22 6.506 1.382 1.163 1.00 0.55 C ATOM 311 CG2 ILE A 22 4.504 0.012 0.460 1.00 0.80 C ATOM 312 CD1 ILE A 22 5.599 2.598 1.364 1.00 0.57 C ATOM 0 H ILE A 22 8.522 0.251 0.049 1.00 0.46 H new ATOM 0 HA ILE A 22 6.561 -1.386 1.175 1.00 0.42 H new ATOM 0 HB ILE A 22 6.050 0.797 -0.838 1.00 0.45 H new ATOM 0 HG12 ILE A 22 6.651 0.889 2.124 1.00 0.55 H new ATOM 0 HG13 ILE A 22 7.486 1.725 0.830 1.00 0.55 H new ATOM 0 HG21 ILE A 22 3.903 0.921 0.426 1.00 0.80 H new ATOM 0 HG22 ILE A 22 4.134 -0.696 -0.282 1.00 0.80 H new ATOM 0 HG23 ILE A 22 4.433 -0.433 1.453 1.00 0.80 H new ATOM 0 HD11 ILE A 22 6.051 3.272 2.092 1.00 0.57 H new ATOM 0 HD12 ILE A 22 5.474 3.119 0.415 1.00 0.57 H new ATOM 0 HD13 ILE A 22 4.626 2.270 1.729 1.00 0.57 H new ATOM 324 N GLU A 23 6.765 -1.572 -2.162 1.00 0.37 N ATOM 325 CA GLU A 23 6.368 -2.377 -3.309 1.00 0.41 C ATOM 326 C GLU A 23 6.819 -3.833 -3.140 1.00 0.43 C ATOM 327 O GLU A 23 5.987 -4.744 -3.130 1.00 0.44 O ATOM 328 CB GLU A 23 6.879 -1.727 -4.601 1.00 0.54 C ATOM 329 CG GLU A 23 6.212 -0.356 -4.791 1.00 1.20 C ATOM 330 CD GLU A 23 6.691 0.394 -6.029 1.00 1.44 C ATOM 331 OE1 GLU A 23 7.787 0.051 -6.519 1.00 2.02 O ATOM 332 OE2 GLU A 23 5.947 1.308 -6.457 1.00 2.35 O ATOM 0 H GLU A 23 7.319 -0.749 -2.400 1.00 0.37 H new ATOM 0 HA GLU A 23 5.281 -2.410 -3.376 1.00 0.41 H new ATOM 0 HB2 GLU A 23 7.962 -1.612 -4.558 1.00 0.54 H new ATOM 0 HB3 GLU A 23 6.660 -2.370 -5.454 1.00 0.54 H new ATOM 0 HG2 GLU A 23 5.133 -0.493 -4.855 1.00 1.20 H new ATOM 0 HG3 GLU A 23 6.403 0.256 -3.910 1.00 1.20 H new ATOM 339 N SER A 24 8.125 -4.054 -2.963 1.00 0.49 N ATOM 340 CA SER A 24 8.682 -5.390 -2.805 1.00 0.56 C ATOM 341 C SER A 24 8.010 -6.118 -1.639 1.00 0.57 C ATOM 342 O SER A 24 7.573 -7.258 -1.791 1.00 0.68 O ATOM 343 CB SER A 24 10.203 -5.313 -2.622 1.00 0.67 C ATOM 344 OG SER A 24 10.779 -6.605 -2.602 1.00 1.60 O ATOM 0 H SER A 24 8.821 -3.309 -2.926 1.00 0.49 H new ATOM 0 HA SER A 24 8.483 -5.966 -3.709 1.00 0.56 H new ATOM 0 HB2 SER A 24 10.641 -4.729 -3.431 1.00 0.67 H new ATOM 0 HB3 SER A 24 10.435 -4.794 -1.692 1.00 0.67 H new ATOM 0 HG SER A 24 11.749 -6.529 -2.486 1.00 1.60 H new ATOM 350 N SER A 25 7.908 -5.463 -0.477 1.00 0.54 N ATOM 351 CA SER A 25 7.318 -6.084 0.698 1.00 0.60 C ATOM 352 C SER A 25 5.870 -6.482 0.406 1.00 0.59 C ATOM 353 O SER A 25 5.514 -7.649 0.535 1.00 0.86 O ATOM 354 CB SER A 25 7.434 -5.139 1.898 1.00 0.67 C ATOM 355 OG SER A 25 6.984 -5.751 3.097 1.00 0.90 O ATOM 0 H SER A 25 8.228 -4.505 -0.332 1.00 0.54 H new ATOM 0 HA SER A 25 7.859 -6.996 0.949 1.00 0.60 H new ATOM 0 HB2 SER A 25 8.472 -4.828 2.016 1.00 0.67 H new ATOM 0 HB3 SER A 25 6.851 -4.238 1.709 1.00 0.67 H new ATOM 0 HG SER A 25 6.014 -5.634 3.180 1.00 0.90 H new ATOM 361 N LEU A 26 5.031 -5.526 0.007 1.00 0.46 N ATOM 362 CA LEU A 26 3.618 -5.764 -0.245 1.00 0.51 C ATOM 363 C LEU A 26 3.420 -6.908 -1.234 1.00 0.52 C ATOM 364 O LEU A 26 2.540 -7.736 -1.021 1.00 0.63 O ATOM 365 CB LEU A 26 2.924 -4.482 -0.724 1.00 0.55 C ATOM 366 CG LEU A 26 2.369 -3.617 0.421 1.00 0.71 C ATOM 367 CD1 LEU A 26 1.080 -4.219 0.992 1.00 1.84 C ATOM 368 CD2 LEU A 26 3.350 -3.364 1.574 1.00 1.45 C ATOM 0 H LEU A 26 5.319 -4.560 -0.150 1.00 0.46 H new ATOM 0 HA LEU A 26 3.153 -6.061 0.695 1.00 0.51 H new ATOM 0 HB2 LEU A 26 3.632 -3.891 -1.304 1.00 0.55 H new ATOM 0 HB3 LEU A 26 2.107 -4.750 -1.395 1.00 0.55 H new ATOM 0 HG LEU A 26 2.174 -2.650 -0.043 1.00 0.71 H new ATOM 0 HD11 LEU A 26 0.710 -3.587 1.799 1.00 1.84 H new ATOM 0 HD12 LEU A 26 0.328 -4.281 0.206 1.00 1.84 H new ATOM 0 HD13 LEU A 26 1.285 -5.218 1.377 1.00 1.84 H new ATOM 0 HD21 LEU A 26 2.869 -2.746 2.332 1.00 1.45 H new ATOM 0 HD22 LEU A 26 3.645 -4.316 2.016 1.00 1.45 H new ATOM 0 HD23 LEU A 26 4.233 -2.851 1.194 1.00 1.45 H new ATOM 380 N THR A 27 4.248 -6.991 -2.277 1.00 0.53 N ATOM 381 CA THR A 27 4.177 -8.081 -3.252 1.00 0.65 C ATOM 382 C THR A 27 4.127 -9.484 -2.610 1.00 1.06 C ATOM 383 O THR A 27 3.563 -10.398 -3.208 1.00 2.31 O ATOM 384 CB THR A 27 5.289 -7.940 -4.304 1.00 0.96 C ATOM 385 OG1 THR A 27 5.196 -6.670 -4.919 1.00 1.69 O ATOM 386 CG2 THR A 27 5.157 -8.970 -5.430 1.00 2.25 C ATOM 0 H THR A 27 4.982 -6.309 -2.469 1.00 0.53 H new ATOM 0 HA THR A 27 3.220 -7.987 -3.766 1.00 0.65 H new ATOM 0 HB THR A 27 6.234 -8.085 -3.780 1.00 0.96 H new ATOM 0 HG1 THR A 27 5.594 -5.993 -4.333 1.00 1.69 H new ATOM 0 HG21 THR A 27 5.965 -8.830 -6.148 1.00 2.25 H new ATOM 0 HG22 THR A 27 5.213 -9.975 -5.012 1.00 2.25 H new ATOM 0 HG23 THR A 27 4.199 -8.839 -5.932 1.00 2.25 H new ATOM 394 N LYS A 28 4.665 -9.690 -1.397 1.00 0.97 N ATOM 395 CA LYS A 28 4.572 -10.996 -0.736 1.00 1.06 C ATOM 396 C LYS A 28 3.117 -11.406 -0.443 1.00 0.84 C ATOM 397 O LYS A 28 2.818 -12.593 -0.323 1.00 0.96 O ATOM 398 CB LYS A 28 5.433 -11.016 0.539 1.00 1.47 C ATOM 399 CG LYS A 28 4.742 -10.296 1.706 1.00 2.22 C ATOM 400 CD LYS A 28 5.739 -9.725 2.722 1.00 2.68 C ATOM 401 CE LYS A 28 5.004 -8.742 3.648 1.00 3.70 C ATOM 402 NZ LYS A 28 5.934 -7.867 4.387 1.00 4.38 N ATOM 0 H LYS A 28 5.162 -8.978 -0.862 1.00 0.97 H new ATOM 0 HA LYS A 28 4.964 -11.741 -1.428 1.00 1.06 H new ATOM 0 HB2 LYS A 28 5.641 -12.048 0.821 1.00 1.47 H new ATOM 0 HB3 LYS A 28 6.393 -10.541 0.337 1.00 1.47 H new ATOM 0 HG2 LYS A 28 4.125 -9.487 1.314 1.00 2.22 H new ATOM 0 HG3 LYS A 28 4.072 -10.992 2.212 1.00 2.22 H new ATOM 0 HD2 LYS A 28 6.184 -10.531 3.306 1.00 2.68 H new ATOM 0 HD3 LYS A 28 6.554 -9.218 2.205 1.00 2.68 H new ATOM 0 HE2 LYS A 28 4.324 -8.129 3.057 1.00 3.70 H new ATOM 0 HE3 LYS A 28 4.394 -9.301 4.357 1.00 3.70 H new ATOM 0 HZ1 LYS A 28 5.392 -7.211 4.985 1.00 4.38 H new ATOM 0 HZ2 LYS A 28 6.556 -8.448 4.985 1.00 4.38 H new ATOM 0 HZ3 LYS A 28 6.511 -7.325 3.712 1.00 4.38 H new ATOM 416 N HIS A 29 2.215 -10.433 -0.269 1.00 0.84 N ATOM 417 CA HIS A 29 0.816 -10.693 0.023 1.00 1.15 C ATOM 418 C HIS A 29 0.158 -11.322 -1.202 1.00 1.10 C ATOM 419 O HIS A 29 -0.114 -10.621 -2.170 1.00 1.51 O ATOM 420 CB HIS A 29 0.089 -9.393 0.384 1.00 1.68 C ATOM 421 CG HIS A 29 0.421 -8.853 1.746 1.00 0.76 C ATOM 422 ND1 HIS A 29 -0.445 -8.784 2.808 1.00 1.83 N ATOM 423 CD2 HIS A 29 1.593 -8.267 2.134 1.00 1.31 C ATOM 424 CE1 HIS A 29 0.190 -8.172 3.816 1.00 2.98 C ATOM 425 NE2 HIS A 29 1.448 -7.855 3.461 1.00 2.77 N ATOM 0 H HIS A 29 2.445 -9.441 -0.329 1.00 0.84 H new ATOM 0 HA HIS A 29 0.752 -11.373 0.872 1.00 1.15 H new ATOM 0 HB2 HIS A 29 0.331 -8.636 -0.362 1.00 1.68 H new ATOM 0 HB3 HIS A 29 -0.986 -9.564 0.327 1.00 1.68 H new ATOM 0 HD2 HIS A 29 2.475 -8.144 1.523 1.00 1.31 H new ATOM 0 HE1 HIS A 29 -0.248 -7.962 4.781 1.00 2.98 H new ATOM 0 HE2 HIS A 29 2.154 -7.405 4.043 1.00 2.77 H new ATOM 433 N ARG A 30 -0.158 -12.618 -1.141 1.00 1.03 N ATOM 434 CA ARG A 30 -0.829 -13.342 -2.219 1.00 1.26 C ATOM 435 C ARG A 30 -2.035 -12.584 -2.794 1.00 1.65 C ATOM 436 O ARG A 30 -2.297 -12.665 -3.989 1.00 3.45 O ATOM 437 CB ARG A 30 -1.282 -14.718 -1.713 1.00 1.47 C ATOM 438 CG ARG A 30 -0.098 -15.649 -1.413 1.00 2.24 C ATOM 439 CD ARG A 30 -0.579 -16.972 -0.804 1.00 2.76 C ATOM 440 NE ARG A 30 -1.490 -17.688 -1.714 1.00 3.43 N ATOM 441 CZ ARG A 30 -2.221 -18.765 -1.383 1.00 4.26 C ATOM 442 NH1 ARG A 30 -2.101 -19.303 -0.165 1.00 4.47 N ATOM 443 NH2 ARG A 30 -3.069 -19.297 -2.272 1.00 5.55 N ATOM 0 H ARG A 30 0.049 -13.200 -0.329 1.00 1.03 H new ATOM 0 HA ARG A 30 -0.105 -13.449 -3.027 1.00 1.26 H new ATOM 0 HB2 ARG A 30 -1.879 -14.592 -0.810 1.00 1.47 H new ATOM 0 HB3 ARG A 30 -1.926 -15.183 -2.459 1.00 1.47 H new ATOM 0 HG2 ARG A 30 0.455 -15.847 -2.331 1.00 2.24 H new ATOM 0 HG3 ARG A 30 0.591 -15.157 -0.726 1.00 2.24 H new ATOM 0 HD2 ARG A 30 0.281 -17.603 -0.578 1.00 2.76 H new ATOM 0 HD3 ARG A 30 -1.087 -16.775 0.140 1.00 2.76 H new ATOM 0 HE ARG A 30 -1.572 -17.339 -2.669 1.00 3.43 H new ATOM 0 HH11 ARG A 30 -1.455 -18.896 0.511 1.00 4.47 H new ATOM 0 HH12 ARG A 30 -2.655 -20.121 0.088 1.00 4.47 H new ATOM 0 HH21 ARG A 30 -3.160 -18.884 -3.200 1.00 5.55 H new ATOM 0 HH22 ARG A 30 -3.624 -20.115 -2.021 1.00 5.55 H new ATOM 457 N GLY A 31 -2.789 -11.885 -1.939 1.00 0.65 N ATOM 458 CA GLY A 31 -3.988 -11.164 -2.345 1.00 0.75 C ATOM 459 C GLY A 31 -3.700 -9.845 -3.069 1.00 0.60 C ATOM 460 O GLY A 31 -4.625 -9.243 -3.608 1.00 0.67 O ATOM 0 H GLY A 31 -2.579 -11.807 -0.944 1.00 0.65 H new ATOM 0 HA2 GLY A 31 -4.582 -11.804 -2.998 1.00 0.75 H new ATOM 0 HA3 GLY A 31 -4.594 -10.959 -1.462 1.00 0.75 H new ATOM 464 N ILE A 32 -2.456 -9.353 -3.056 1.00 0.60 N ATOM 465 CA ILE A 32 -2.040 -8.193 -3.817 1.00 0.53 C ATOM 466 C ILE A 32 -1.715 -8.626 -5.244 1.00 0.64 C ATOM 467 O ILE A 32 -0.830 -9.454 -5.449 1.00 0.86 O ATOM 468 CB ILE A 32 -0.879 -7.493 -3.076 1.00 0.49 C ATOM 469 CG1 ILE A 32 -1.159 -5.999 -2.928 1.00 0.68 C ATOM 470 CG2 ILE A 32 0.532 -7.711 -3.641 1.00 0.88 C ATOM 471 CD1 ILE A 32 -0.988 -5.232 -4.232 1.00 1.93 C ATOM 0 H ILE A 32 -1.704 -9.765 -2.503 1.00 0.60 H new ATOM 0 HA ILE A 32 -2.835 -7.452 -3.899 1.00 0.53 H new ATOM 0 HB ILE A 32 -0.858 -7.989 -2.105 1.00 0.49 H new ATOM 0 HG12 ILE A 32 -2.176 -5.860 -2.561 1.00 0.68 H new ATOM 0 HG13 ILE A 32 -0.489 -5.582 -2.176 1.00 0.68 H new ATOM 0 HG21 ILE A 32 1.255 -7.168 -3.033 1.00 0.88 H new ATOM 0 HG22 ILE A 32 0.770 -8.775 -3.625 1.00 0.88 H new ATOM 0 HG23 ILE A 32 0.574 -7.345 -4.667 1.00 0.88 H new ATOM 0 HD11 ILE A 32 -1.200 -4.176 -4.064 1.00 1.93 H new ATOM 0 HD12 ILE A 32 0.036 -5.344 -4.588 1.00 1.93 H new ATOM 0 HD13 ILE A 32 -1.677 -5.626 -4.979 1.00 1.93 H new ATOM 483 N LEU A 33 -2.419 -8.071 -6.234 1.00 0.60 N ATOM 484 CA LEU A 33 -2.102 -8.327 -7.631 1.00 0.70 C ATOM 485 C LEU A 33 -1.112 -7.286 -8.169 1.00 0.70 C ATOM 486 O LEU A 33 -0.303 -7.626 -9.028 1.00 0.82 O ATOM 487 CB LEU A 33 -3.377 -8.526 -8.466 1.00 0.85 C ATOM 488 CG LEU A 33 -4.188 -7.249 -8.714 1.00 1.65 C ATOM 489 CD1 LEU A 33 -3.957 -6.723 -10.132 1.00 2.52 C ATOM 490 CD2 LEU A 33 -5.683 -7.496 -8.491 1.00 2.50 C ATOM 0 H LEU A 33 -3.210 -7.443 -6.089 1.00 0.60 H new ATOM 0 HA LEU A 33 -1.575 -9.277 -7.718 1.00 0.70 H new ATOM 0 HB2 LEU A 33 -3.101 -8.957 -9.428 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -4.015 -9.253 -7.963 1.00 0.85 H new ATOM 0 HG LEU A 33 -3.847 -6.499 -8.000 1.00 1.65 H new ATOM 0 HD11 LEU A 33 -4.543 -5.817 -10.284 1.00 2.52 H new ATOM 0 HD12 LEU A 33 -2.899 -6.498 -10.269 1.00 2.52 H new ATOM 0 HD13 LEU A 33 -4.264 -7.479 -10.855 1.00 2.52 H new ATOM 0 HD21 LEU A 33 -6.235 -6.574 -8.674 1.00 2.50 H new ATOM 0 HD22 LEU A 33 -6.030 -8.269 -9.177 1.00 2.50 H new ATOM 0 HD23 LEU A 33 -5.849 -7.821 -7.464 1.00 2.50 H new ATOM 502 N TYR A 34 -1.133 -6.032 -7.683 1.00 0.63 N ATOM 503 CA TYR A 34 -0.093 -5.066 -8.024 1.00 0.66 C ATOM 504 C TYR A 34 -0.034 -3.969 -6.963 1.00 0.58 C ATOM 505 O TYR A 34 -1.071 -3.398 -6.634 1.00 0.84 O ATOM 506 CB TYR A 34 -0.360 -4.461 -9.405 1.00 0.81 C ATOM 507 CG TYR A 34 0.717 -3.503 -9.874 1.00 0.92 C ATOM 508 CD1 TYR A 34 1.953 -4.007 -10.315 1.00 2.20 C ATOM 509 CD2 TYR A 34 0.488 -2.114 -9.869 1.00 2.19 C ATOM 510 CE1 TYR A 34 2.949 -3.128 -10.773 1.00 2.34 C ATOM 511 CE2 TYR A 34 1.477 -1.237 -10.346 1.00 2.28 C ATOM 512 CZ TYR A 34 2.713 -1.744 -10.787 1.00 1.37 C ATOM 513 OH TYR A 34 3.671 -0.904 -11.271 1.00 1.64 O ATOM 0 H TYR A 34 -1.855 -5.673 -7.059 1.00 0.63 H new ATOM 0 HA TYR A 34 0.869 -5.578 -8.054 1.00 0.66 H new ATOM 0 HB2 TYR A 34 -0.457 -5.268 -10.132 1.00 0.81 H new ATOM 0 HB3 TYR A 34 -1.315 -3.936 -9.382 1.00 0.81 H new ATOM 0 HD1 TYR A 34 2.137 -5.071 -10.302 1.00 2.20 H new ATOM 0 HD2 TYR A 34 -0.448 -1.722 -9.499 1.00 2.19 H new ATOM 0 HE1 TYR A 34 3.897 -3.517 -11.115 1.00 2.34 H new ATOM 0 HE2 TYR A 34 1.288 -0.174 -10.374 1.00 2.28 H new ATOM 0 HH TYR A 34 3.354 0.022 -11.213 1.00 1.64 H new ATOM 523 N CYS A 35 1.154 -3.650 -6.449 1.00 0.57 N ATOM 524 CA CYS A 35 1.380 -2.421 -5.695 1.00 0.54 C ATOM 525 C CYS A 35 2.106 -1.461 -6.624 1.00 0.63 C ATOM 526 O CYS A 35 2.962 -1.908 -7.386 1.00 0.93 O ATOM 527 CB CYS A 35 2.272 -2.672 -4.473 1.00 0.64 C ATOM 528 SG CYS A 35 2.506 -1.111 -3.596 1.00 2.07 S ATOM 0 H CYS A 35 1.984 -4.236 -6.544 1.00 0.57 H new ATOM 0 HA CYS A 35 0.426 -2.026 -5.346 1.00 0.54 H new ATOM 0 HB2 CYS A 35 1.813 -3.410 -3.815 1.00 0.64 H new ATOM 0 HB3 CYS A 35 3.234 -3.078 -4.785 1.00 0.64 H new ATOM 0 HG CYS A 35 3.259 -1.307 -2.555 1.00 2.07 H new ATOM 534 N SER A 36 1.831 -0.159 -6.538 1.00 0.55 N ATOM 535 CA SER A 36 2.913 0.790 -6.747 1.00 0.90 C ATOM 536 C SER A 36 2.692 2.019 -5.878 1.00 0.64 C ATOM 537 O SER A 36 1.542 2.353 -5.575 1.00 0.79 O ATOM 538 CB SER A 36 3.121 1.125 -8.225 1.00 1.46 C ATOM 539 OG SER A 36 4.233 1.982 -8.395 1.00 2.41 O ATOM 0 H SER A 36 0.916 0.244 -6.336 1.00 0.55 H new ATOM 0 HA SER A 36 3.848 0.325 -6.435 1.00 0.90 H new ATOM 0 HB2 SER A 36 3.274 0.207 -8.792 1.00 1.46 H new ATOM 0 HB3 SER A 36 2.225 1.601 -8.624 1.00 1.46 H new ATOM 0 HG SER A 36 4.869 1.842 -7.662 1.00 2.41 H new ATOM 545 N VAL A 37 3.790 2.653 -5.449 1.00 0.56 N ATOM 546 CA VAL A 37 3.763 3.797 -4.556 1.00 0.47 C ATOM 547 C VAL A 37 4.542 4.979 -5.151 1.00 0.55 C ATOM 548 O VAL A 37 5.601 4.789 -5.742 1.00 0.80 O ATOM 549 CB VAL A 37 4.227 3.382 -3.145 1.00 0.61 C ATOM 550 CG1 VAL A 37 3.658 2.031 -2.707 1.00 1.77 C ATOM 551 CG2 VAL A 37 5.739 3.209 -3.044 1.00 1.52 C ATOM 0 H VAL A 37 4.732 2.374 -5.722 1.00 0.56 H new ATOM 0 HA VAL A 37 2.739 4.153 -4.447 1.00 0.47 H new ATOM 0 HB VAL A 37 3.870 4.197 -2.515 1.00 0.61 H new ATOM 0 HG11 VAL A 37 4.019 1.791 -1.707 1.00 1.77 H new ATOM 0 HG12 VAL A 37 2.569 2.081 -2.698 1.00 1.77 H new ATOM 0 HG13 VAL A 37 3.980 1.257 -3.404 1.00 1.77 H new ATOM 0 HG21 VAL A 37 6.005 2.917 -2.028 1.00 1.52 H new ATOM 0 HG22 VAL A 37 6.064 2.436 -3.741 1.00 1.52 H new ATOM 0 HG23 VAL A 37 6.230 4.150 -3.291 1.00 1.52 H new ATOM 561 N ALA A 38 4.011 6.202 -5.015 1.00 0.52 N ATOM 562 CA ALA A 38 4.598 7.423 -5.558 1.00 0.60 C ATOM 563 C ALA A 38 4.849 8.470 -4.471 1.00 0.60 C ATOM 564 O ALA A 38 3.964 8.799 -3.674 1.00 0.62 O ATOM 565 CB ALA A 38 3.710 8.015 -6.647 1.00 0.70 C ATOM 0 H ALA A 38 3.140 6.368 -4.511 1.00 0.52 H new ATOM 0 HA ALA A 38 5.560 7.146 -5.990 1.00 0.60 H new ATOM 0 HB1 ALA A 38 4.169 8.924 -7.036 1.00 0.70 H new ATOM 0 HB2 ALA A 38 3.594 7.292 -7.455 1.00 0.70 H new ATOM 0 HB3 ALA A 38 2.731 8.252 -6.230 1.00 0.70 H new ATOM 571 N LEU A 39 6.068 9.012 -4.490 1.00 0.64 N ATOM 572 CA LEU A 39 6.620 9.921 -3.492 1.00 0.67 C ATOM 573 C LEU A 39 5.929 11.276 -3.519 1.00 0.68 C ATOM 574 O LEU A 39 5.555 11.788 -2.471 1.00 0.70 O ATOM 575 CB LEU A 39 8.122 10.108 -3.729 1.00 0.97 C ATOM 576 CG LEU A 39 8.947 8.835 -3.491 1.00 1.39 C ATOM 577 CD1 LEU A 39 10.391 9.124 -3.905 1.00 2.46 C ATOM 578 CD2 LEU A 39 8.905 8.407 -2.018 1.00 2.45 C ATOM 0 H LEU A 39 6.729 8.817 -5.242 1.00 0.64 H new ATOM 0 HA LEU A 39 6.451 9.475 -2.512 1.00 0.67 H new ATOM 0 HB2 LEU A 39 8.280 10.447 -4.753 1.00 0.97 H new ATOM 0 HB3 LEU A 39 8.489 10.897 -3.072 1.00 0.97 H new ATOM 0 HG LEU A 39 8.528 8.019 -4.081 1.00 1.39 H new ATOM 0 HD11 LEU A 39 11.000 8.234 -3.746 1.00 2.46 H new ATOM 0 HD12 LEU A 39 10.419 9.399 -4.959 1.00 2.46 H new ATOM 0 HD13 LEU A 39 10.784 9.945 -3.305 1.00 2.46 H new ATOM 0 HD21 LEU A 39 9.499 7.503 -1.885 1.00 2.45 H new ATOM 0 HD22 LEU A 39 9.312 9.204 -1.396 1.00 2.45 H new ATOM 0 HD23 LEU A 39 7.874 8.210 -1.726 1.00 2.45 H new ATOM 590 N ALA A 40 5.772 11.856 -4.713 1.00 0.88 N ATOM 591 CA ALA A 40 5.199 13.187 -4.881 1.00 1.10 C ATOM 592 C ALA A 40 3.881 13.313 -4.116 1.00 0.92 C ATOM 593 O ALA A 40 3.660 14.282 -3.393 1.00 1.26 O ATOM 594 CB ALA A 40 5.000 13.478 -6.371 1.00 1.44 C ATOM 0 H ALA A 40 6.041 11.411 -5.590 1.00 0.88 H new ATOM 0 HA ALA A 40 5.889 13.924 -4.469 1.00 1.10 H new ATOM 0 HB1 ALA A 40 4.572 14.473 -6.493 1.00 1.44 H new ATOM 0 HB2 ALA A 40 5.961 13.431 -6.882 1.00 1.44 H new ATOM 0 HB3 ALA A 40 4.325 12.737 -6.799 1.00 1.44 H new ATOM 600 N THR A 41 3.014 12.313 -4.265 1.00 0.65 N ATOM 601 CA THR A 41 1.745 12.253 -3.576 1.00 0.66 C ATOM 602 C THR A 41 1.971 11.762 -2.144 1.00 0.69 C ATOM 603 O THR A 41 1.354 12.272 -1.212 1.00 1.42 O ATOM 604 CB THR A 41 0.839 11.299 -4.361 1.00 1.28 C ATOM 605 OG1 THR A 41 1.074 11.444 -5.750 1.00 2.55 O ATOM 606 CG2 THR A 41 -0.639 11.555 -4.056 1.00 2.11 C ATOM 0 H THR A 41 3.184 11.516 -4.878 1.00 0.65 H new ATOM 0 HA THR A 41 1.273 13.234 -3.518 1.00 0.66 H new ATOM 0 HB THR A 41 1.077 10.281 -4.054 1.00 1.28 H new ATOM 0 HG1 THR A 41 0.493 10.830 -6.246 1.00 2.55 H new ATOM 0 HG21 THR A 41 -1.254 10.861 -4.629 1.00 2.11 H new ATOM 0 HG22 THR A 41 -0.822 11.408 -2.992 1.00 2.11 H new ATOM 0 HG23 THR A 41 -0.895 12.579 -4.330 1.00 2.11 H new ATOM 614 N ASN A 42 2.867 10.783 -1.975 1.00 0.53 N ATOM 615 CA ASN A 42 3.095 9.984 -0.772 1.00 0.50 C ATOM 616 C ASN A 42 2.017 8.907 -0.720 1.00 0.47 C ATOM 617 O ASN A 42 1.417 8.665 0.324 1.00 0.53 O ATOM 618 CB ASN A 42 3.154 10.788 0.542 1.00 0.60 C ATOM 619 CG ASN A 42 4.205 11.892 0.543 1.00 0.93 C ATOM 620 OD1 ASN A 42 5.289 11.723 1.088 1.00 1.86 O ATOM 621 ND2 ASN A 42 3.876 13.045 -0.029 1.00 2.53 N ATOM 0 H ASN A 42 3.495 10.511 -2.731 1.00 0.53 H new ATOM 0 HA ASN A 42 4.091 9.547 -0.849 1.00 0.50 H new ATOM 0 HB2 ASN A 42 2.176 11.231 0.730 1.00 0.60 H new ATOM 0 HB3 ASN A 42 3.358 10.104 1.366 1.00 0.60 H new ATOM 0 HD21 ASN A 42 4.535 13.824 -0.023 1.00 2.53 H new ATOM 0 HD22 ASN A 42 2.965 13.152 -0.474 1.00 2.53 H new ATOM 628 N LYS A 43 1.735 8.283 -1.869 1.00 0.49 N ATOM 629 CA LYS A 43 0.548 7.461 -2.056 1.00 0.47 C ATOM 630 C LYS A 43 0.909 6.075 -2.557 1.00 0.41 C ATOM 631 O LYS A 43 1.753 5.960 -3.436 1.00 0.53 O ATOM 632 CB LYS A 43 -0.424 8.179 -2.996 1.00 0.68 C ATOM 633 CG LYS A 43 -1.640 7.336 -3.399 1.00 1.70 C ATOM 634 CD LYS A 43 -1.439 6.773 -4.817 1.00 1.46 C ATOM 635 CE LYS A 43 -1.824 7.826 -5.870 1.00 1.59 C ATOM 636 NZ LYS A 43 -2.159 7.215 -7.172 1.00 2.28 N ATOM 0 H LYS A 43 2.330 8.338 -2.695 1.00 0.49 H new ATOM 0 HA LYS A 43 0.055 7.319 -1.094 1.00 0.47 H new ATOM 0 HB2 LYS A 43 -0.772 9.092 -2.514 1.00 0.68 H new ATOM 0 HB3 LYS A 43 0.112 8.478 -3.897 1.00 0.68 H new ATOM 0 HG2 LYS A 43 -1.779 6.520 -2.690 1.00 1.70 H new ATOM 0 HG3 LYS A 43 -2.543 7.945 -3.365 1.00 1.70 H new ATOM 0 HD2 LYS A 43 -0.399 6.476 -4.953 1.00 1.46 H new ATOM 0 HD3 LYS A 43 -2.046 5.878 -4.949 1.00 1.46 H new ATOM 0 HE2 LYS A 43 -2.677 8.402 -5.511 1.00 1.59 H new ATOM 0 HE3 LYS A 43 -0.999 8.526 -6.000 1.00 1.59 H new ATOM 0 HZ1 LYS A 43 -2.751 7.870 -7.721 1.00 2.28 H new ATOM 0 HZ2 LYS A 43 -1.284 7.016 -7.698 1.00 2.28 H new ATOM 0 HZ3 LYS A 43 -2.678 6.328 -7.016 1.00 2.28 H new ATOM 650 N ALA A 44 0.235 5.050 -2.029 1.00 0.37 N ATOM 651 CA ALA A 44 0.287 3.673 -2.488 1.00 0.40 C ATOM 652 C ALA A 44 -1.056 3.301 -3.101 1.00 0.43 C ATOM 653 O ALA A 44 -2.092 3.445 -2.450 1.00 0.56 O ATOM 654 CB ALA A 44 0.616 2.752 -1.311 1.00 0.46 C ATOM 0 H ALA A 44 -0.390 5.171 -1.232 1.00 0.37 H new ATOM 0 HA ALA A 44 1.065 3.560 -3.243 1.00 0.40 H new ATOM 0 HB1 ALA A 44 0.655 1.719 -1.657 1.00 0.46 H new ATOM 0 HB2 ALA A 44 1.582 3.030 -0.890 1.00 0.46 H new ATOM 0 HB3 ALA A 44 -0.154 2.850 -0.546 1.00 0.46 H new ATOM 660 N HIS A 45 -1.032 2.822 -4.348 1.00 0.41 N ATOM 661 CA HIS A 45 -2.123 2.166 -5.000 1.00 0.46 C ATOM 662 C HIS A 45 -1.824 0.690 -4.786 1.00 0.41 C ATOM 663 O HIS A 45 -0.799 0.201 -5.268 1.00 0.53 O ATOM 664 CB HIS A 45 -2.012 2.607 -6.454 1.00 0.73 C ATOM 665 CG HIS A 45 -2.970 2.005 -7.427 1.00 0.85 C ATOM 666 ND1 HIS A 45 -3.067 2.443 -8.719 1.00 1.53 N ATOM 667 CD2 HIS A 45 -3.634 0.809 -7.333 1.00 1.17 C ATOM 668 CE1 HIS A 45 -3.764 1.527 -9.395 1.00 2.16 C ATOM 669 NE2 HIS A 45 -4.141 0.515 -8.603 1.00 1.93 N ATOM 0 H HIS A 45 -0.205 2.894 -4.941 1.00 0.41 H new ATOM 0 HA HIS A 45 -3.132 2.383 -4.650 1.00 0.46 H new ATOM 0 HB2 HIS A 45 -2.132 3.690 -6.488 1.00 0.73 H new ATOM 0 HB3 HIS A 45 -1.001 2.388 -6.797 1.00 0.73 H new ATOM 0 HD1 HIS A 45 -2.679 3.308 -9.096 1.00 1.53 H new ATOM 0 HD2 HIS A 45 -3.745 0.206 -6.444 1.00 1.17 H new ATOM 0 HE1 HIS A 45 -3.995 1.594 -10.448 1.00 2.16 H new ATOM 677 N ILE A 46 -2.687 0.008 -4.030 1.00 0.37 N ATOM 678 CA ILE A 46 -2.512 -1.390 -3.690 1.00 0.41 C ATOM 679 C ILE A 46 -3.717 -2.124 -4.254 1.00 0.54 C ATOM 680 O ILE A 46 -4.837 -2.004 -3.749 1.00 0.94 O ATOM 681 CB ILE A 46 -2.327 -1.547 -2.171 1.00 0.58 C ATOM 682 CG1 ILE A 46 -1.039 -0.815 -1.779 1.00 0.79 C ATOM 683 CG2 ILE A 46 -2.176 -3.016 -1.767 1.00 1.04 C ATOM 684 CD1 ILE A 46 -0.671 -0.951 -0.301 1.00 1.44 C ATOM 0 H ILE A 46 -3.532 0.422 -3.637 1.00 0.37 H new ATOM 0 HA ILE A 46 -1.610 -1.821 -4.124 1.00 0.41 H new ATOM 0 HB ILE A 46 -3.205 -1.140 -1.669 1.00 0.58 H new ATOM 0 HG12 ILE A 46 -0.217 -1.198 -2.384 1.00 0.79 H new ATOM 0 HG13 ILE A 46 -1.147 0.243 -2.020 1.00 0.79 H new ATOM 0 HG21 ILE A 46 -2.047 -3.085 -0.687 1.00 1.04 H new ATOM 0 HG22 ILE A 46 -3.068 -3.568 -2.062 1.00 1.04 H new ATOM 0 HG23 ILE A 46 -1.305 -3.442 -2.264 1.00 1.04 H new ATOM 0 HD11 ILE A 46 0.252 -0.405 -0.104 1.00 1.44 H new ATOM 0 HD12 ILE A 46 -1.473 -0.541 0.313 1.00 1.44 H new ATOM 0 HD13 ILE A 46 -0.529 -2.004 -0.057 1.00 1.44 H new ATOM 696 N LYS A 47 -3.496 -2.877 -5.329 1.00 0.42 N ATOM 697 CA LYS A 47 -4.543 -3.634 -5.962 1.00 0.47 C ATOM 698 C LYS A 47 -4.695 -4.928 -5.178 1.00 0.54 C ATOM 699 O LYS A 47 -4.259 -5.986 -5.630 1.00 0.77 O ATOM 700 CB LYS A 47 -4.173 -3.856 -7.427 1.00 0.57 C ATOM 701 CG LYS A 47 -3.966 -2.521 -8.151 1.00 0.60 C ATOM 702 CD LYS A 47 -3.992 -2.766 -9.664 1.00 0.87 C ATOM 703 CE LYS A 47 -5.437 -2.804 -10.187 1.00 1.80 C ATOM 704 NZ LYS A 47 -5.544 -3.383 -11.542 1.00 2.40 N ATOM 0 H LYS A 47 -2.584 -2.971 -5.776 1.00 0.42 H new ATOM 0 HA LYS A 47 -5.502 -3.116 -5.958 1.00 0.47 H new ATOM 0 HB2 LYS A 47 -3.263 -4.452 -7.489 1.00 0.57 H new ATOM 0 HB3 LYS A 47 -4.961 -4.424 -7.922 1.00 0.57 H new ATOM 0 HG2 LYS A 47 -4.748 -1.815 -7.870 1.00 0.60 H new ATOM 0 HG3 LYS A 47 -3.015 -2.077 -7.858 1.00 0.60 H new ATOM 0 HD2 LYS A 47 -3.437 -1.979 -10.174 1.00 0.87 H new ATOM 0 HD3 LYS A 47 -3.493 -3.708 -9.893 1.00 0.87 H new ATOM 0 HE2 LYS A 47 -6.051 -3.385 -9.500 1.00 1.80 H new ATOM 0 HE3 LYS A 47 -5.841 -1.792 -10.197 1.00 1.80 H new ATOM 0 HZ1 LYS A 47 -6.351 -2.955 -12.040 1.00 2.40 H new ATOM 0 HZ2 LYS A 47 -4.670 -3.191 -12.071 1.00 2.40 H new ATOM 0 HZ3 LYS A 47 -5.687 -4.411 -11.470 1.00 2.40 H new ATOM 718 N TYR A 48 -5.240 -4.815 -3.964 1.00 1.14 N ATOM 719 CA TYR A 48 -5.478 -5.966 -3.114 1.00 1.17 C ATOM 720 C TYR A 48 -6.906 -6.451 -3.285 1.00 1.34 C ATOM 721 O TYR A 48 -7.845 -5.661 -3.209 1.00 1.85 O ATOM 722 CB TYR A 48 -5.130 -5.684 -1.653 1.00 1.22 C ATOM 723 CG TYR A 48 -6.025 -4.712 -0.909 1.00 1.49 C ATOM 724 CD1 TYR A 48 -7.178 -5.178 -0.248 1.00 1.85 C ATOM 725 CD2 TYR A 48 -5.656 -3.362 -0.792 1.00 2.83 C ATOM 726 CE1 TYR A 48 -7.932 -4.305 0.554 1.00 1.98 C ATOM 727 CE2 TYR A 48 -6.375 -2.505 0.052 1.00 3.12 C ATOM 728 CZ TYR A 48 -7.515 -2.975 0.720 1.00 2.11 C ATOM 729 OH TYR A 48 -8.259 -2.116 1.467 1.00 2.41 O ATOM 0 H TYR A 48 -5.524 -3.926 -3.552 1.00 1.14 H new ATOM 0 HA TYR A 48 -4.809 -6.768 -3.427 1.00 1.17 H new ATOM 0 HB2 TYR A 48 -5.136 -6.631 -1.114 1.00 1.22 H new ATOM 0 HB3 TYR A 48 -4.110 -5.303 -1.615 1.00 1.22 H new ATOM 0 HD1 TYR A 48 -7.483 -6.208 -0.358 1.00 1.85 H new ATOM 0 HD2 TYR A 48 -4.815 -2.983 -1.354 1.00 2.83 H new ATOM 0 HE1 TYR A 48 -8.830 -4.656 1.041 1.00 1.98 H new ATOM 0 HE2 TYR A 48 -6.052 -1.484 0.188 1.00 3.12 H new ATOM 0 HH TYR A 48 -7.828 -1.236 1.480 1.00 2.41 H new ATOM 739 N ASP A 49 -7.050 -7.752 -3.514 1.00 1.01 N ATOM 740 CA ASP A 49 -8.343 -8.372 -3.764 1.00 1.16 C ATOM 741 C ASP A 49 -9.076 -8.506 -2.427 1.00 0.95 C ATOM 742 O ASP A 49 -8.574 -9.197 -1.538 1.00 0.72 O ATOM 743 CB ASP A 49 -8.168 -9.712 -4.491 1.00 1.31 C ATOM 744 CG ASP A 49 -7.705 -9.523 -5.935 1.00 2.33 C ATOM 745 OD1 ASP A 49 -8.270 -8.631 -6.609 1.00 3.60 O ATOM 746 OD2 ASP A 49 -6.791 -10.271 -6.340 1.00 2.60 O ATOM 0 H ASP A 49 -6.269 -8.408 -3.531 1.00 1.01 H new ATOM 0 HA ASP A 49 -8.949 -7.753 -4.426 1.00 1.16 H new ATOM 0 HB2 ASP A 49 -7.442 -10.324 -3.955 1.00 1.31 H new ATOM 0 HB3 ASP A 49 -9.113 -10.256 -4.481 1.00 1.31 H new ATOM 751 N PRO A 50 -10.222 -7.826 -2.235 1.00 1.23 N ATOM 752 CA PRO A 50 -10.813 -7.603 -0.921 1.00 1.37 C ATOM 753 C PRO A 50 -11.598 -8.825 -0.421 1.00 1.31 C ATOM 754 O PRO A 50 -12.768 -8.706 -0.063 1.00 1.59 O ATOM 755 CB PRO A 50 -11.698 -6.362 -1.111 1.00 1.82 C ATOM 756 CG PRO A 50 -12.186 -6.519 -2.551 1.00 1.91 C ATOM 757 CD PRO A 50 -10.939 -7.061 -3.245 1.00 1.62 C ATOM 0 HA PRO A 50 -10.060 -7.448 -0.148 1.00 1.37 H new ATOM 0 HB2 PRO A 50 -12.526 -6.342 -0.402 1.00 1.82 H new ATOM 0 HB3 PRO A 50 -11.136 -5.438 -0.972 1.00 1.82 H new ATOM 0 HG2 PRO A 50 -13.027 -7.208 -2.625 1.00 1.91 H new ATOM 0 HG3 PRO A 50 -12.512 -5.571 -2.978 1.00 1.91 H new ATOM 0 HD2 PRO A 50 -11.207 -7.690 -4.094 1.00 1.62 H new ATOM 0 HD3 PRO A 50 -10.323 -6.249 -3.631 1.00 1.62 H new ATOM 765 N GLU A 51 -10.944 -9.990 -0.376 1.00 1.24 N ATOM 766 CA GLU A 51 -11.497 -11.232 0.138 1.00 1.27 C ATOM 767 C GLU A 51 -10.569 -11.784 1.219 1.00 1.18 C ATOM 768 O GLU A 51 -10.898 -11.752 2.402 1.00 1.79 O ATOM 769 CB GLU A 51 -11.703 -12.235 -1.007 1.00 1.44 C ATOM 770 CG GLU A 51 -12.606 -11.663 -2.107 1.00 2.22 C ATOM 771 CD GLU A 51 -13.067 -12.747 -3.075 1.00 2.68 C ATOM 772 OE1 GLU A 51 -12.336 -13.755 -3.192 1.00 3.16 O ATOM 773 OE2 GLU A 51 -14.148 -12.552 -3.670 1.00 3.58 O ATOM 0 H GLU A 51 -9.985 -10.090 -0.709 1.00 1.24 H new ATOM 0 HA GLU A 51 -12.474 -11.049 0.586 1.00 1.27 H new ATOM 0 HB2 GLU A 51 -10.737 -12.504 -1.433 1.00 1.44 H new ATOM 0 HB3 GLU A 51 -12.144 -13.151 -0.614 1.00 1.44 H new ATOM 0 HG2 GLU A 51 -13.475 -11.186 -1.654 1.00 2.22 H new ATOM 0 HG3 GLU A 51 -12.068 -10.890 -2.655 1.00 2.22 H new ATOM 780 N ILE A 52 -9.401 -12.296 0.816 1.00 0.81 N ATOM 781 CA ILE A 52 -8.467 -12.918 1.748 1.00 0.89 C ATOM 782 C ILE A 52 -7.739 -11.867 2.584 1.00 0.91 C ATOM 783 O ILE A 52 -7.398 -12.112 3.738 1.00 1.20 O ATOM 784 CB ILE A 52 -7.490 -13.859 1.017 1.00 1.05 C ATOM 785 CG1 ILE A 52 -6.407 -13.160 0.173 1.00 1.21 C ATOM 786 CG2 ILE A 52 -8.261 -14.875 0.162 1.00 1.65 C ATOM 787 CD1 ILE A 52 -5.090 -13.025 0.953 1.00 2.00 C ATOM 0 H ILE A 52 -9.083 -12.289 -0.153 1.00 0.81 H new ATOM 0 HA ILE A 52 -9.042 -13.534 2.440 1.00 0.89 H new ATOM 0 HB ILE A 52 -6.944 -14.367 1.812 1.00 1.05 H new ATOM 0 HG12 ILE A 52 -6.234 -13.727 -0.742 1.00 1.21 H new ATOM 0 HG13 ILE A 52 -6.758 -12.172 -0.126 1.00 1.21 H new ATOM 0 HG21 ILE A 52 -7.556 -15.532 -0.347 1.00 1.65 H new ATOM 0 HG22 ILE A 52 -8.913 -15.469 0.802 1.00 1.65 H new ATOM 0 HG23 ILE A 52 -8.863 -14.346 -0.577 1.00 1.65 H new ATOM 0 HD11 ILE A 52 -4.347 -12.528 0.329 1.00 2.00 H new ATOM 0 HD12 ILE A 52 -5.260 -12.436 1.854 1.00 2.00 H new ATOM 0 HD13 ILE A 52 -4.728 -14.015 1.229 1.00 2.00 H new ATOM 799 N ILE A 53 -7.466 -10.719 1.965 1.00 0.74 N ATOM 800 CA ILE A 53 -6.717 -9.603 2.520 1.00 0.73 C ATOM 801 C ILE A 53 -7.652 -8.395 2.615 1.00 0.66 C ATOM 802 O ILE A 53 -8.431 -8.157 1.692 1.00 0.70 O ATOM 803 CB ILE A 53 -5.486 -9.347 1.621 1.00 0.72 C ATOM 804 CG1 ILE A 53 -4.534 -8.289 2.191 1.00 0.98 C ATOM 805 CG2 ILE A 53 -5.853 -8.976 0.181 1.00 0.65 C ATOM 806 CD1 ILE A 53 -3.719 -8.897 3.329 1.00 1.11 C ATOM 0 H ILE A 53 -7.780 -10.537 1.012 1.00 0.74 H new ATOM 0 HA ILE A 53 -6.350 -9.812 3.525 1.00 0.73 H new ATOM 0 HB ILE A 53 -4.967 -10.305 1.604 1.00 0.72 H new ATOM 0 HG12 ILE A 53 -3.869 -7.923 1.408 1.00 0.98 H new ATOM 0 HG13 ILE A 53 -5.101 -7.432 2.553 1.00 0.98 H new ATOM 0 HG21 ILE A 53 -4.943 -8.810 -0.395 1.00 0.65 H new ATOM 0 HG22 ILE A 53 -6.425 -9.788 -0.269 1.00 0.65 H new ATOM 0 HG23 ILE A 53 -6.453 -8.066 0.181 1.00 0.65 H new ATOM 0 HD11 ILE A 53 -3.042 -8.145 3.734 1.00 1.11 H new ATOM 0 HD12 ILE A 53 -4.392 -9.241 4.115 1.00 1.11 H new ATOM 0 HD13 ILE A 53 -3.140 -9.740 2.952 1.00 1.11 H new ATOM 818 N GLY A 54 -7.605 -7.643 3.719 1.00 0.64 N ATOM 819 CA GLY A 54 -8.444 -6.480 3.939 1.00 0.64 C ATOM 820 C GLY A 54 -7.610 -5.212 4.134 1.00 0.59 C ATOM 821 O GLY A 54 -6.376 -5.250 4.149 1.00 0.62 O ATOM 0 H GLY A 54 -6.969 -7.836 4.493 1.00 0.64 H new ATOM 0 HA2 GLY A 54 -9.114 -6.348 3.089 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -9.070 -6.643 4.816 1.00 0.64 H new ATOM 825 N PRO A 55 -8.285 -4.062 4.298 1.00 0.60 N ATOM 826 CA PRO A 55 -7.643 -2.789 4.566 1.00 0.63 C ATOM 827 C PRO A 55 -6.796 -2.869 5.831 1.00 0.62 C ATOM 828 O PRO A 55 -5.670 -2.379 5.843 1.00 0.60 O ATOM 829 CB PRO A 55 -8.772 -1.758 4.702 1.00 0.77 C ATOM 830 CG PRO A 55 -10.014 -2.596 5.004 1.00 0.78 C ATOM 831 CD PRO A 55 -9.731 -3.923 4.300 1.00 0.68 C ATOM 0 HA PRO A 55 -6.962 -2.506 3.763 1.00 0.63 H new ATOM 0 HB2 PRO A 55 -8.567 -1.047 5.503 1.00 0.77 H new ATOM 0 HB3 PRO A 55 -8.895 -1.180 3.786 1.00 0.77 H new ATOM 0 HG2 PRO A 55 -10.155 -2.733 6.076 1.00 0.78 H new ATOM 0 HG3 PRO A 55 -10.919 -2.124 4.622 1.00 0.78 H new ATOM 0 HD2 PRO A 55 -10.204 -4.754 4.824 1.00 0.68 H new ATOM 0 HD3 PRO A 55 -10.126 -3.920 3.284 1.00 0.68 H new ATOM 839 N ARG A 56 -7.324 -3.472 6.903 1.00 0.67 N ATOM 840 CA ARG A 56 -6.593 -3.528 8.157 1.00 0.72 C ATOM 841 C ARG A 56 -5.246 -4.235 7.981 1.00 0.67 C ATOM 842 O ARG A 56 -4.247 -3.769 8.523 1.00 0.65 O ATOM 843 CB ARG A 56 -7.432 -4.136 9.294 1.00 1.00 C ATOM 844 CG ARG A 56 -6.589 -4.058 10.574 1.00 2.53 C ATOM 845 CD ARG A 56 -7.335 -4.284 11.892 1.00 3.08 C ATOM 846 NE ARG A 56 -6.402 -4.017 13.003 1.00 4.70 N ATOM 847 CZ ARG A 56 -6.397 -4.583 14.217 1.00 5.89 C ATOM 848 NH1 ARG A 56 -7.441 -5.312 14.625 1.00 5.81 N ATOM 849 NH2 ARG A 56 -5.332 -4.407 15.005 1.00 7.48 N ATOM 0 H ARG A 56 -8.241 -3.919 6.920 1.00 0.67 H new ATOM 0 HA ARG A 56 -6.381 -2.502 8.457 1.00 0.72 H new ATOM 0 HB2 ARG A 56 -8.367 -3.590 9.416 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -7.694 -5.170 9.068 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -5.789 -4.795 10.503 1.00 2.53 H new ATOM 0 HG3 ARG A 56 -6.115 -3.077 10.613 1.00 2.53 H new ATOM 0 HD2 ARG A 56 -8.201 -3.625 11.956 1.00 3.08 H new ATOM 0 HD3 ARG A 56 -7.708 -5.307 11.947 1.00 3.08 H new ATOM 0 HE ARG A 56 -5.677 -3.321 12.826 1.00 4.70 H new ATOM 0 HH11 ARG A 56 -8.246 -5.439 14.011 1.00 5.81 H new ATOM 0 HH12 ARG A 56 -7.433 -5.741 15.550 1.00 5.81 H new ATOM 0 HH21 ARG A 56 -4.542 -3.850 14.678 1.00 7.48 H new ATOM 0 HH22 ARG A 56 -5.309 -4.830 15.933 1.00 7.48 H new ATOM 863 N ASP A 57 -5.205 -5.348 7.243 1.00 0.69 N ATOM 864 CA ASP A 57 -3.981 -6.109 7.038 1.00 0.67 C ATOM 865 C ASP A 57 -2.926 -5.219 6.388 1.00 0.61 C ATOM 866 O ASP A 57 -1.808 -5.077 6.886 1.00 0.60 O ATOM 867 CB ASP A 57 -4.266 -7.317 6.142 1.00 0.73 C ATOM 868 CG ASP A 57 -5.491 -8.094 6.587 1.00 1.42 C ATOM 869 OD1 ASP A 57 -6.590 -7.621 6.217 1.00 2.48 O ATOM 870 OD2 ASP A 57 -5.312 -9.114 7.280 1.00 2.50 O ATOM 0 H ASP A 57 -6.021 -5.742 6.774 1.00 0.69 H new ATOM 0 HA ASP A 57 -3.610 -6.460 8.001 1.00 0.67 H new ATOM 0 HB2 ASP A 57 -4.407 -6.979 5.116 1.00 0.73 H new ATOM 0 HB3 ASP A 57 -3.400 -7.979 6.143 1.00 0.73 H new ATOM 875 N ILE A 58 -3.304 -4.604 5.265 1.00 0.59 N ATOM 876 CA ILE A 58 -2.480 -3.645 4.540 1.00 0.54 C ATOM 877 C ILE A 58 -1.989 -2.555 5.486 1.00 0.51 C ATOM 878 O ILE A 58 -0.796 -2.252 5.550 1.00 0.51 O ATOM 879 CB ILE A 58 -3.316 -3.063 3.385 1.00 0.55 C ATOM 880 CG1 ILE A 58 -3.631 -4.118 2.317 1.00 0.51 C ATOM 881 CG2 ILE A 58 -2.673 -1.814 2.761 1.00 0.68 C ATOM 882 CD1 ILE A 58 -2.372 -4.712 1.692 1.00 2.04 C ATOM 0 H ILE A 58 -4.212 -4.765 4.828 1.00 0.59 H new ATOM 0 HA ILE A 58 -1.597 -4.133 4.127 1.00 0.54 H new ATOM 0 HB ILE A 58 -4.261 -2.746 3.826 1.00 0.55 H new ATOM 0 HG12 ILE A 58 -4.222 -4.917 2.764 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -4.243 -3.667 1.535 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -3.304 -1.445 1.952 1.00 0.68 H new ATOM 0 HG22 ILE A 58 -2.569 -1.040 3.521 1.00 0.68 H new ATOM 0 HG23 ILE A 58 -1.690 -2.070 2.366 1.00 0.68 H new ATOM 0 HD11 ILE A 58 -2.652 -5.453 0.943 1.00 2.04 H new ATOM 0 HD12 ILE A 58 -1.792 -3.920 1.219 1.00 2.04 H new ATOM 0 HD13 ILE A 58 -1.771 -5.189 2.467 1.00 2.04 H new ATOM 894 N ILE A 59 -2.915 -1.961 6.230 1.00 0.52 N ATOM 895 CA ILE A 59 -2.592 -0.891 7.147 1.00 0.50 C ATOM 896 C ILE A 59 -1.546 -1.365 8.159 1.00 0.50 C ATOM 897 O ILE A 59 -0.518 -0.710 8.324 1.00 0.53 O ATOM 898 CB ILE A 59 -3.882 -0.331 7.760 1.00 0.52 C ATOM 899 CG1 ILE A 59 -4.562 0.578 6.724 1.00 0.55 C ATOM 900 CG2 ILE A 59 -3.663 0.381 9.106 1.00 0.54 C ATOM 901 CD1 ILE A 59 -6.043 0.769 7.032 1.00 0.56 C ATOM 0 H ILE A 59 -3.904 -2.211 6.210 1.00 0.52 H new ATOM 0 HA ILE A 59 -2.127 -0.054 6.626 1.00 0.50 H new ATOM 0 HB ILE A 59 -4.538 -1.167 8.001 1.00 0.52 H new ATOM 0 HG12 ILE A 59 -4.065 1.548 6.708 1.00 0.55 H new ATOM 0 HG13 ILE A 59 -4.449 0.146 5.730 1.00 0.55 H new ATOM 0 HG21 ILE A 59 -4.617 0.752 9.481 1.00 0.54 H new ATOM 0 HG22 ILE A 59 -3.239 -0.321 9.824 1.00 0.54 H new ATOM 0 HG23 ILE A 59 -2.978 1.217 8.968 1.00 0.54 H new ATOM 0 HD11 ILE A 59 -6.491 1.417 6.279 1.00 0.56 H new ATOM 0 HD12 ILE A 59 -6.544 -0.199 7.022 1.00 0.56 H new ATOM 0 HD13 ILE A 59 -6.154 1.225 8.016 1.00 0.56 H new ATOM 913 N HIS A 60 -1.775 -2.521 8.791 1.00 0.50 N ATOM 914 CA HIS A 60 -0.865 -3.057 9.795 1.00 0.51 C ATOM 915 C HIS A 60 0.494 -3.346 9.177 1.00 0.50 C ATOM 916 O HIS A 60 1.541 -3.097 9.766 1.00 0.51 O ATOM 917 CB HIS A 60 -1.422 -4.292 10.506 1.00 0.61 C ATOM 918 CG HIS A 60 -1.905 -3.949 11.890 1.00 1.51 C ATOM 919 ND1 HIS A 60 -1.135 -3.452 12.918 1.00 3.13 N ATOM 920 CD2 HIS A 60 -3.209 -3.817 12.258 1.00 1.58 C ATOM 921 CE1 HIS A 60 -1.973 -3.094 13.909 1.00 3.76 C ATOM 922 NE2 HIS A 60 -3.259 -3.311 13.561 1.00 2.81 N ATOM 0 H HIS A 60 -2.593 -3.105 8.619 1.00 0.50 H new ATOM 0 HA HIS A 60 -0.750 -2.291 10.562 1.00 0.51 H new ATOM 0 HB2 HIS A 60 -2.243 -4.711 9.924 1.00 0.61 H new ATOM 0 HB3 HIS A 60 -0.650 -5.059 10.567 1.00 0.61 H new ATOM 0 HD1 HIS A 60 -0.118 -3.370 12.927 1.00 3.13 H new ATOM 0 HD2 HIS A 60 -4.064 -4.062 11.645 1.00 1.58 H new ATOM 0 HE1 HIS A 60 -1.658 -2.687 14.858 1.00 3.76 H new ATOM 930 N THR A 61 0.480 -3.861 7.953 1.00 0.51 N ATOM 931 CA THR A 61 1.714 -4.115 7.238 1.00 0.56 C ATOM 932 C THR A 61 2.522 -2.815 7.143 1.00 0.58 C ATOM 933 O THR A 61 3.700 -2.780 7.495 1.00 0.64 O ATOM 934 CB THR A 61 1.376 -4.731 5.876 1.00 0.66 C ATOM 935 OG1 THR A 61 0.689 -5.946 6.088 1.00 0.75 O ATOM 936 CG2 THR A 61 2.620 -5.024 5.032 1.00 0.74 C ATOM 0 H THR A 61 -0.368 -4.108 7.442 1.00 0.51 H new ATOM 0 HA THR A 61 2.343 -4.832 7.765 1.00 0.56 H new ATOM 0 HB THR A 61 0.768 -4.007 5.333 1.00 0.66 H new ATOM 0 HG1 THR A 61 -0.236 -5.757 6.351 1.00 0.75 H new ATOM 0 HG21 THR A 61 2.319 -5.459 4.079 1.00 0.74 H new ATOM 0 HG22 THR A 61 3.164 -4.097 4.852 1.00 0.74 H new ATOM 0 HG23 THR A 61 3.264 -5.725 5.564 1.00 0.74 H new ATOM 944 N ILE A 62 1.901 -1.742 6.655 1.00 0.55 N ATOM 945 CA ILE A 62 2.607 -0.506 6.352 1.00 0.52 C ATOM 946 C ILE A 62 3.024 0.238 7.633 1.00 0.55 C ATOM 947 O ILE A 62 4.151 0.737 7.710 1.00 0.57 O ATOM 948 CB ILE A 62 1.796 0.305 5.331 1.00 0.44 C ATOM 949 CG1 ILE A 62 1.664 -0.498 4.021 1.00 0.47 C ATOM 950 CG2 ILE A 62 2.471 1.647 5.035 1.00 0.46 C ATOM 951 CD1 ILE A 62 0.542 0.027 3.128 1.00 1.18 C ATOM 0 H ILE A 62 0.900 -1.708 6.461 1.00 0.55 H new ATOM 0 HA ILE A 62 3.562 -0.715 5.869 1.00 0.52 H new ATOM 0 HB ILE A 62 0.810 0.497 5.753 1.00 0.44 H new ATOM 0 HG12 ILE A 62 2.607 -0.458 3.476 1.00 0.47 H new ATOM 0 HG13 ILE A 62 1.477 -1.546 4.257 1.00 0.47 H new ATOM 0 HG21 ILE A 62 1.876 2.201 4.309 1.00 0.46 H new ATOM 0 HG22 ILE A 62 2.551 2.225 5.956 1.00 0.46 H new ATOM 0 HG23 ILE A 62 3.467 1.471 4.629 1.00 0.46 H new ATOM 0 HD11 ILE A 62 0.490 -0.572 2.219 1.00 1.18 H new ATOM 0 HD12 ILE A 62 -0.407 -0.038 3.660 1.00 1.18 H new ATOM 0 HD13 ILE A 62 0.741 1.066 2.867 1.00 1.18 H new ATOM 963 N GLU A 63 2.157 0.281 8.652 1.00 0.55 N ATOM 964 CA GLU A 63 2.539 0.839 9.948 1.00 0.61 C ATOM 965 C GLU A 63 3.717 0.062 10.533 1.00 0.62 C ATOM 966 O GLU A 63 4.729 0.657 10.894 1.00 0.59 O ATOM 967 CB GLU A 63 1.336 0.969 10.893 1.00 0.90 C ATOM 968 CG GLU A 63 0.680 -0.339 11.319 1.00 1.54 C ATOM 969 CD GLU A 63 1.317 -1.049 12.509 1.00 2.96 C ATOM 970 OE1 GLU A 63 1.817 -0.342 13.406 1.00 3.59 O ATOM 971 OE2 GLU A 63 1.265 -2.301 12.507 1.00 4.21 O ATOM 0 H GLU A 63 1.197 -0.061 8.603 1.00 0.55 H new ATOM 0 HA GLU A 63 2.887 1.862 9.806 1.00 0.61 H new ATOM 0 HB2 GLU A 63 1.658 1.500 11.789 1.00 0.90 H new ATOM 0 HB3 GLU A 63 0.583 1.590 10.408 1.00 0.90 H new ATOM 0 HG2 GLU A 63 -0.364 -0.138 11.558 1.00 1.54 H new ATOM 0 HG3 GLU A 63 0.687 -1.020 10.468 1.00 1.54 H new ATOM 978 N SER A 64 3.625 -1.268 10.541 1.00 0.75 N ATOM 979 CA SER A 64 4.722 -2.123 10.974 1.00 0.85 C ATOM 980 C SER A 64 6.006 -1.859 10.170 1.00 0.80 C ATOM 981 O SER A 64 7.090 -1.846 10.748 1.00 0.93 O ATOM 982 CB SER A 64 4.305 -3.595 10.920 1.00 1.05 C ATOM 983 OG SER A 64 3.332 -3.891 11.910 1.00 2.16 O ATOM 0 H SER A 64 2.791 -1.777 10.249 1.00 0.75 H new ATOM 0 HA SER A 64 4.953 -1.877 12.011 1.00 0.85 H new ATOM 0 HB2 SER A 64 3.905 -3.826 9.933 1.00 1.05 H new ATOM 0 HB3 SER A 64 5.180 -4.229 11.066 1.00 1.05 H new ATOM 0 HG SER A 64 2.571 -3.281 11.813 1.00 2.16 H new ATOM 989 N LEU A 65 5.917 -1.653 8.847 1.00 0.75 N ATOM 990 CA LEU A 65 7.085 -1.252 8.058 1.00 0.83 C ATOM 991 C LEU A 65 7.624 0.110 8.503 1.00 0.79 C ATOM 992 O LEU A 65 8.839 0.301 8.525 1.00 1.12 O ATOM 993 CB LEU A 65 6.784 -1.222 6.551 1.00 0.87 C ATOM 994 CG LEU A 65 6.596 -2.615 5.933 1.00 0.96 C ATOM 995 CD1 LEU A 65 6.037 -2.469 4.511 1.00 1.20 C ATOM 996 CD2 LEU A 65 7.911 -3.407 5.886 1.00 0.94 C ATOM 0 H LEU A 65 5.057 -1.757 8.309 1.00 0.75 H new ATOM 0 HA LEU A 65 7.848 -2.009 8.238 1.00 0.83 H new ATOM 0 HB2 LEU A 65 5.882 -0.634 6.381 1.00 0.87 H new ATOM 0 HB3 LEU A 65 7.599 -0.713 6.036 1.00 0.87 H new ATOM 0 HG LEU A 65 5.898 -3.167 6.563 1.00 0.96 H new ATOM 0 HD11 LEU A 65 5.903 -3.457 4.070 1.00 1.20 H new ATOM 0 HD12 LEU A 65 5.077 -1.955 4.549 1.00 1.20 H new ATOM 0 HD13 LEU A 65 6.734 -1.892 3.903 1.00 1.20 H new ATOM 0 HD21 LEU A 65 7.731 -4.386 5.441 1.00 0.94 H new ATOM 0 HD22 LEU A 65 8.641 -2.865 5.285 1.00 0.94 H new ATOM 0 HD23 LEU A 65 8.296 -3.534 6.898 1.00 0.94 H new ATOM 1008 N GLY A 66 6.731 1.043 8.836 1.00 0.58 N ATOM 1009 CA GLY A 66 7.082 2.328 9.427 1.00 0.60 C ATOM 1010 C GLY A 66 6.657 3.505 8.556 1.00 0.58 C ATOM 1011 O GLY A 66 7.352 4.519 8.525 1.00 0.68 O ATOM 0 H GLY A 66 5.728 0.922 8.699 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.611 2.415 10.406 1.00 0.60 H new ATOM 0 HA3 GLY A 66 8.159 2.369 9.587 1.00 0.60 H new ATOM 1015 N PHE A 67 5.505 3.401 7.883 1.00 0.52 N ATOM 1016 CA PHE A 67 4.870 4.535 7.214 1.00 0.50 C ATOM 1017 C PHE A 67 3.406 4.561 7.651 1.00 0.48 C ATOM 1018 O PHE A 67 2.904 3.528 8.077 1.00 0.53 O ATOM 1019 CB PHE A 67 5.009 4.391 5.692 1.00 0.50 C ATOM 1020 CG PHE A 67 6.391 3.978 5.213 1.00 0.50 C ATOM 1021 CD1 PHE A 67 7.460 4.889 5.286 1.00 1.76 C ATOM 1022 CD2 PHE A 67 6.633 2.658 4.786 1.00 1.97 C ATOM 1023 CE1 PHE A 67 8.740 4.514 4.844 1.00 1.77 C ATOM 1024 CE2 PHE A 67 7.919 2.278 4.360 1.00 2.00 C ATOM 1025 CZ PHE A 67 8.966 3.215 4.362 1.00 0.60 C ATOM 0 H PHE A 67 4.989 2.526 7.789 1.00 0.52 H new ATOM 0 HA PHE A 67 5.348 5.476 7.487 1.00 0.50 H new ATOM 0 HB2 PHE A 67 4.284 3.655 5.343 1.00 0.50 H new ATOM 0 HB3 PHE A 67 4.748 5.341 5.226 1.00 0.50 H new ATOM 0 HD1 PHE A 67 7.297 5.880 5.683 1.00 1.76 H new ATOM 0 HD2 PHE A 67 5.830 1.936 4.786 1.00 1.97 H new ATOM 0 HE1 PHE A 67 9.551 5.226 4.875 1.00 1.77 H new ATOM 0 HE2 PHE A 67 8.101 1.266 4.031 1.00 2.00 H new ATOM 0 HZ PHE A 67 9.942 2.937 3.994 1.00 0.60 H new ATOM 1035 N GLU A 68 2.714 5.700 7.567 1.00 0.48 N ATOM 1036 CA GLU A 68 1.335 5.831 8.020 1.00 0.48 C ATOM 1037 C GLU A 68 0.370 5.732 6.827 1.00 0.42 C ATOM 1038 O GLU A 68 0.262 6.700 6.072 1.00 0.47 O ATOM 1039 CB GLU A 68 1.178 7.193 8.694 1.00 0.61 C ATOM 1040 CG GLU A 68 1.924 7.326 10.024 1.00 1.03 C ATOM 1041 CD GLU A 68 1.728 8.737 10.547 1.00 1.67 C ATOM 1042 OE1 GLU A 68 2.425 9.640 10.041 1.00 2.66 O ATOM 1043 OE2 GLU A 68 0.772 8.968 11.316 1.00 2.25 O ATOM 0 H GLU A 68 3.101 6.560 7.180 1.00 0.48 H new ATOM 0 HA GLU A 68 1.101 5.030 8.721 1.00 0.48 H new ATOM 0 HB2 GLU A 68 1.533 7.966 8.012 1.00 0.61 H new ATOM 0 HB3 GLU A 68 0.118 7.381 8.865 1.00 0.61 H new ATOM 0 HG2 GLU A 68 1.547 6.599 10.744 1.00 1.03 H new ATOM 0 HG3 GLU A 68 2.985 7.117 9.886 1.00 1.03 H new ATOM 1050 N PRO A 69 -0.341 4.606 6.641 1.00 0.39 N ATOM 1051 CA PRO A 69 -1.262 4.400 5.532 1.00 0.41 C ATOM 1052 C PRO A 69 -2.617 5.055 5.812 1.00 0.52 C ATOM 1053 O PRO A 69 -3.529 4.424 6.344 1.00 0.87 O ATOM 1054 CB PRO A 69 -1.377 2.881 5.394 1.00 0.42 C ATOM 1055 CG PRO A 69 -1.195 2.388 6.822 1.00 0.43 C ATOM 1056 CD PRO A 69 -0.240 3.396 7.444 1.00 0.43 C ATOM 0 HA PRO A 69 -0.908 4.858 4.609 1.00 0.41 H new ATOM 0 HB2 PRO A 69 -2.344 2.586 4.986 1.00 0.42 H new ATOM 0 HB3 PRO A 69 -0.614 2.478 4.728 1.00 0.42 H new ATOM 0 HG2 PRO A 69 -2.144 2.356 7.357 1.00 0.43 H new ATOM 0 HG3 PRO A 69 -0.781 1.380 6.846 1.00 0.43 H new ATOM 0 HD2 PRO A 69 -0.507 3.595 8.482 1.00 0.43 H new ATOM 0 HD3 PRO A 69 0.781 3.014 7.445 1.00 0.43 H new ATOM 1064 N SER A 70 -2.774 6.318 5.416 1.00 0.57 N ATOM 1065 CA SER A 70 -4.039 7.022 5.556 1.00 0.63 C ATOM 1066 C SER A 70 -4.983 6.587 4.432 1.00 0.54 C ATOM 1067 O SER A 70 -4.759 6.890 3.259 1.00 0.52 O ATOM 1068 CB SER A 70 -3.797 8.530 5.542 1.00 0.82 C ATOM 1069 OG SER A 70 -5.004 9.221 5.800 1.00 2.16 O ATOM 0 H SER A 70 -2.031 6.874 4.993 1.00 0.57 H new ATOM 0 HA SER A 70 -4.506 6.773 6.509 1.00 0.63 H new ATOM 0 HB2 SER A 70 -3.051 8.793 6.292 1.00 0.82 H new ATOM 0 HB3 SER A 70 -3.396 8.832 4.575 1.00 0.82 H new ATOM 0 HG SER A 70 -4.837 10.187 5.790 1.00 2.16 H new ATOM 1075 N LEU A 71 -6.042 5.866 4.793 1.00 0.73 N ATOM 1076 CA LEU A 71 -7.028 5.311 3.871 1.00 0.90 C ATOM 1077 C LEU A 71 -7.976 6.396 3.340 1.00 1.01 C ATOM 1078 O LEU A 71 -9.185 6.323 3.542 1.00 1.45 O ATOM 1079 CB LEU A 71 -7.782 4.155 4.554 1.00 1.28 C ATOM 1080 CG LEU A 71 -8.509 4.564 5.853 1.00 1.85 C ATOM 1081 CD1 LEU A 71 -9.951 4.040 5.846 1.00 2.05 C ATOM 1082 CD2 LEU A 71 -7.798 4.019 7.098 1.00 3.05 C ATOM 0 H LEU A 71 -6.243 5.645 5.768 1.00 0.73 H new ATOM 0 HA LEU A 71 -6.512 4.909 2.999 1.00 0.90 H new ATOM 0 HB2 LEU A 71 -8.511 3.746 3.854 1.00 1.28 H new ATOM 0 HB3 LEU A 71 -7.075 3.357 4.781 1.00 1.28 H new ATOM 0 HG LEU A 71 -8.503 5.653 5.892 1.00 1.85 H new ATOM 0 HD11 LEU A 71 -10.450 4.336 6.768 1.00 2.05 H new ATOM 0 HD12 LEU A 71 -10.486 4.458 4.993 1.00 2.05 H new ATOM 0 HD13 LEU A 71 -9.943 2.953 5.771 1.00 2.05 H new ATOM 0 HD21 LEU A 71 -8.340 4.328 7.991 1.00 3.05 H new ATOM 0 HD22 LEU A 71 -7.766 2.930 7.052 1.00 3.05 H new ATOM 0 HD23 LEU A 71 -6.781 4.410 7.137 1.00 3.05 H new ATOM 1094 N VAL A 72 -7.436 7.411 2.659 1.00 1.11 N ATOM 1095 CA VAL A 72 -8.201 8.567 2.224 1.00 1.31 C ATOM 1096 C VAL A 72 -9.395 8.169 1.351 1.00 1.67 C ATOM 1097 O VAL A 72 -10.490 8.694 1.542 1.00 2.56 O ATOM 1098 CB VAL A 72 -7.285 9.592 1.535 1.00 1.59 C ATOM 1099 CG1 VAL A 72 -6.191 10.095 2.487 1.00 2.96 C ATOM 1100 CG2 VAL A 72 -6.655 9.080 0.232 1.00 3.06 C ATOM 0 H VAL A 72 -6.451 7.447 2.396 1.00 1.11 H new ATOM 0 HA VAL A 72 -8.623 9.045 3.108 1.00 1.31 H new ATOM 0 HB VAL A 72 -7.937 10.423 1.264 1.00 1.59 H new ATOM 0 HG11 VAL A 72 -5.561 10.818 1.968 1.00 2.96 H new ATOM 0 HG12 VAL A 72 -6.652 10.571 3.352 1.00 2.96 H new ATOM 0 HG13 VAL A 72 -5.581 9.254 2.817 1.00 2.96 H new ATOM 0 HG21 VAL A 72 -6.022 9.857 -0.196 1.00 3.06 H new ATOM 0 HG22 VAL A 72 -6.052 8.196 0.442 1.00 3.06 H new ATOM 0 HG23 VAL A 72 -7.443 8.822 -0.476 1.00 3.06 H new ATOM 1110 N LYS A 73 -9.183 7.243 0.405 1.00 1.51 N ATOM 1111 CA LYS A 73 -10.227 6.698 -0.458 1.00 2.15 C ATOM 1112 C LYS A 73 -11.108 7.818 -1.045 1.00 2.52 C ATOM 1113 O LYS A 73 -12.338 7.747 -1.016 1.00 3.93 O ATOM 1114 CB LYS A 73 -10.980 5.612 0.336 1.00 3.46 C ATOM 1115 CG LYS A 73 -12.148 4.953 -0.420 1.00 4.11 C ATOM 1116 CD LYS A 73 -13.491 5.224 0.284 1.00 5.26 C ATOM 1117 CE LYS A 73 -14.648 5.332 -0.718 1.00 5.81 C ATOM 1118 NZ LYS A 73 -14.716 6.680 -1.319 1.00 5.80 N ATOM 0 H LYS A 73 -8.261 6.848 0.219 1.00 1.51 H new ATOM 0 HA LYS A 73 -9.807 6.216 -1.341 1.00 2.15 H new ATOM 0 HB2 LYS A 73 -10.271 4.837 0.627 1.00 3.46 H new ATOM 0 HB3 LYS A 73 -11.364 6.054 1.255 1.00 3.46 H new ATOM 0 HG2 LYS A 73 -12.186 5.335 -1.440 1.00 4.11 H new ATOM 0 HG3 LYS A 73 -11.980 3.878 -0.488 1.00 4.11 H new ATOM 0 HD2 LYS A 73 -13.698 4.422 0.993 1.00 5.26 H new ATOM 0 HD3 LYS A 73 -13.420 6.148 0.859 1.00 5.26 H new ATOM 0 HE2 LYS A 73 -14.521 4.587 -1.504 1.00 5.81 H new ATOM 0 HE3 LYS A 73 -15.589 5.108 -0.215 1.00 5.81 H new ATOM 0 HZ1 LYS A 73 -15.121 6.614 -2.274 1.00 5.80 H new ATOM 0 HZ2 LYS A 73 -15.315 7.293 -0.730 1.00 5.80 H new ATOM 0 HZ3 LYS A 73 -13.759 7.083 -1.376 1.00 5.80 H new ATOM 1132 N ILE A 74 -10.475 8.854 -1.599 1.00 2.53 N ATOM 1133 CA ILE A 74 -11.193 9.952 -2.234 1.00 3.60 C ATOM 1134 C ILE A 74 -11.961 9.464 -3.468 1.00 3.92 C ATOM 1135 O ILE A 74 -11.592 8.456 -4.071 1.00 4.22 O ATOM 1136 CB ILE A 74 -10.261 11.135 -2.562 1.00 4.77 C ATOM 1137 CG1 ILE A 74 -9.320 10.928 -3.767 1.00 5.55 C ATOM 1138 CG2 ILE A 74 -9.494 11.600 -1.317 1.00 5.93 C ATOM 1139 CD1 ILE A 74 -8.325 9.768 -3.655 1.00 6.30 C ATOM 0 H ILE A 74 -9.460 8.952 -1.619 1.00 2.53 H new ATOM 0 HA ILE A 74 -11.926 10.326 -1.519 1.00 3.60 H new ATOM 0 HB ILE A 74 -10.932 11.931 -2.885 1.00 4.77 H new ATOM 0 HG12 ILE A 74 -9.931 10.771 -4.656 1.00 5.55 H new ATOM 0 HG13 ILE A 74 -8.758 11.848 -3.925 1.00 5.55 H new ATOM 0 HG21 ILE A 74 -8.845 12.435 -1.580 1.00 5.93 H new ATOM 0 HG22 ILE A 74 -10.202 11.918 -0.551 1.00 5.93 H new ATOM 0 HG23 ILE A 74 -8.890 10.778 -0.934 1.00 5.93 H new ATOM 0 HD11 ILE A 74 -7.718 9.721 -4.559 1.00 6.30 H new ATOM 0 HD12 ILE A 74 -7.678 9.925 -2.792 1.00 6.30 H new ATOM 0 HD13 ILE A 74 -8.870 8.832 -3.534 1.00 6.30 H new ATOM 1151 N GLU A 75 -13.015 10.197 -3.822 1.00 4.89 N ATOM 1152 CA GLU A 75 -13.755 10.134 -5.067 1.00 5.96 C ATOM 1153 C GLU A 75 -14.130 11.594 -5.344 1.00 6.56 C ATOM 1154 O GLU A 75 -14.516 11.891 -6.495 1.00 7.28 O ATOM 1155 CB GLU A 75 -15.020 9.276 -4.914 1.00 6.74 C ATOM 1156 CG GLU A 75 -14.713 7.777 -4.784 1.00 7.25 C ATOM 1157 CD GLU A 75 -15.988 6.967 -4.607 1.00 8.36 C ATOM 1158 OE1 GLU A 75 -16.637 6.666 -5.628 1.00 9.30 O ATOM 1159 OE2 GLU A 75 -16.282 6.656 -3.429 1.00 8.69 O ATOM 1160 OXT GLU A 75 -14.011 12.384 -4.377 1.00 6.72 O ATOM 0 H GLU A 75 -13.398 10.903 -3.193 1.00 4.89 H new ATOM 0 HA GLU A 75 -13.177 9.681 -5.873 1.00 5.96 H new ATOM 0 HB2 GLU A 75 -15.573 9.606 -4.034 1.00 6.74 H new ATOM 0 HB3 GLU A 75 -15.668 9.436 -5.776 1.00 6.74 H new ATOM 0 HG2 GLU A 75 -14.181 7.434 -5.672 1.00 7.25 H new ATOM 0 HG3 GLU A 75 -14.053 7.611 -3.933 1.00 7.25 H new TER 1167 GLU A 75 HETATM 1168 CU CU1 A 76 13.480 6.232 1.402 1.00 0.89 CU