USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 17 SER OG : rot 67:sc= 1.99 USER MOD Set 1.2: A 40 TYR OH : rot -174:sc=-0.00553 USER MOD Set 1.3: A 48 THR OG1 : rot -31:sc= 1.4 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0899 (180deg=-0.499) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.153 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 121:sc= 0.946 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 21 THR OG1 : rot -47:sc= 0.22 USER MOD Single : A 24 THR OG1 : rot 45:sc= 1.2 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 46 MET CE :methyl 170:sc= -1.74 (180deg=-2.09!) USER MOD Single : A 54 SER OG : rot -86:sc= 0.473 USER MOD Single : A 56 TYR OH : rot -172:sc= 0.565 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 131:sc= -1.59! USER MOD Single : A 79 ASN : amide:sc= 0.892 K(o=0.89,f=-8.4!) USER MOD Single : A 87 SXH O33 : rot 8:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.643 -12.104 3.612 1.00 5.89 N ATOM 2 CA MET A 1 18.754 -12.440 2.492 1.00 5.39 C ATOM 3 C MET A 1 17.979 -11.203 2.092 1.00 4.66 C ATOM 4 O MET A 1 17.932 -10.230 2.847 1.00 4.91 O ATOM 5 CB MET A 1 17.768 -13.573 2.862 1.00 5.72 C ATOM 6 CG MET A 1 16.724 -13.198 3.910 1.00 6.12 C ATOM 7 SD MET A 1 15.575 -14.538 4.293 1.00 6.79 S ATOM 8 CE MET A 1 16.690 -15.766 4.964 1.00 7.46 C ATOM 0 H1 MET A 1 20.634 -12.199 3.309 1.00 5.89 H new ATOM 0 H2 MET A 1 19.465 -11.125 3.915 1.00 5.89 H new ATOM 0 H3 MET A 1 19.460 -12.750 4.406 1.00 5.89 H new ATOM 0 HA MET A 1 19.366 -12.793 1.662 1.00 5.39 H new ATOM 0 HB2 MET A 1 17.254 -13.897 1.957 1.00 5.72 H new ATOM 0 HB3 MET A 1 18.339 -14.427 3.228 1.00 5.72 H new ATOM 0 HG2 MET A 1 17.232 -12.893 4.825 1.00 6.12 H new ATOM 0 HG3 MET A 1 16.159 -12.335 3.556 1.00 6.12 H new ATOM 0 HE1 MET A 1 16.121 -16.503 5.531 1.00 7.46 H new ATOM 0 HE2 MET A 1 17.217 -16.263 4.149 1.00 7.46 H new ATOM 0 HE3 MET A 1 17.412 -15.281 5.621 1.00 7.46 H new ATOM 20 N ALA A 2 17.390 -11.230 0.924 1.00 4.17 N ATOM 21 CA ALA A 2 16.603 -10.122 0.441 1.00 3.77 C ATOM 22 C ALA A 2 15.184 -10.203 0.988 1.00 2.58 C ATOM 23 O ALA A 2 14.400 -11.072 0.594 1.00 2.61 O ATOM 24 CB ALA A 2 16.595 -10.092 -1.082 1.00 4.69 C ATOM 0 H ALA A 2 17.442 -12.020 0.280 1.00 4.17 H new ATOM 0 HA ALA A 2 17.055 -9.195 0.794 1.00 3.77 H new ATOM 0 HB1 ALA A 2 15.996 -9.249 -1.426 1.00 4.69 H new ATOM 0 HB2 ALA A 2 17.616 -9.986 -1.449 1.00 4.69 H new ATOM 0 HB3 ALA A 2 16.168 -11.020 -1.462 1.00 4.69 H new ATOM 30 N THR A 3 14.881 -9.323 1.903 1.00 2.17 N ATOM 31 CA THR A 3 13.580 -9.242 2.506 1.00 1.65 C ATOM 32 C THR A 3 12.711 -8.352 1.632 1.00 1.51 C ATOM 33 O THR A 3 12.922 -7.139 1.576 1.00 2.34 O ATOM 34 CB THR A 3 13.711 -8.617 3.890 1.00 2.61 C ATOM 35 OG1 THR A 3 14.669 -9.362 4.671 1.00 3.14 O ATOM 36 CG2 THR A 3 12.368 -8.582 4.613 1.00 3.14 C ATOM 0 H THR A 3 15.542 -8.631 2.256 1.00 2.17 H new ATOM 0 HA THR A 3 13.136 -10.233 2.598 1.00 1.65 H new ATOM 0 HB THR A 3 14.055 -7.590 3.768 1.00 2.61 H new ATOM 0 HG1 THR A 3 14.752 -8.957 5.559 1.00 3.14 H new ATOM 0 HG21 THR A 3 12.496 -8.131 5.597 1.00 3.14 H new ATOM 0 HG22 THR A 3 11.658 -7.993 4.033 1.00 3.14 H new ATOM 0 HG23 THR A 3 11.989 -9.598 4.726 1.00 3.14 H new ATOM 44 N LEU A 4 11.792 -8.959 0.915 1.00 1.02 N ATOM 45 CA LEU A 4 10.961 -8.243 -0.028 1.00 0.89 C ATOM 46 C LEU A 4 9.487 -8.326 0.352 1.00 0.82 C ATOM 47 O LEU A 4 9.097 -9.116 1.212 1.00 1.00 O ATOM 48 CB LEU A 4 11.182 -8.764 -1.453 1.00 0.93 C ATOM 49 CG LEU A 4 12.593 -8.595 -2.027 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.667 -9.173 -3.422 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.000 -7.125 -2.046 1.00 1.09 C ATOM 0 H LEU A 4 11.600 -9.959 0.968 1.00 1.02 H new ATOM 0 HA LEU A 4 11.254 -7.194 0.005 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.929 -9.824 -1.473 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.480 -8.257 -2.115 1.00 0.93 H new ATOM 0 HG LEU A 4 13.287 -9.136 -1.384 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.675 -9.045 -3.816 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.422 -10.235 -3.389 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.957 -8.657 -4.068 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.005 -7.031 -2.458 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.301 -6.562 -2.664 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.986 -6.730 -1.030 1.00 1.09 H new ATOM 63 N LEU A 5 8.689 -7.515 -0.293 1.00 0.69 N ATOM 64 CA LEU A 5 7.273 -7.440 -0.055 1.00 0.62 C ATOM 65 C LEU A 5 6.568 -8.250 -1.128 1.00 0.51 C ATOM 66 O LEU A 5 6.822 -8.064 -2.329 1.00 0.50 O ATOM 67 CB LEU A 5 6.818 -5.975 -0.164 1.00 0.64 C ATOM 68 CG LEU A 5 5.350 -5.666 0.162 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.076 -5.840 1.622 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.980 -4.268 -0.269 1.00 1.01 C ATOM 0 H LEU A 5 9.015 -6.873 -1.016 1.00 0.69 H new ATOM 0 HA LEU A 5 7.037 -7.826 0.937 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.443 -5.378 0.499 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.016 -5.635 -1.181 1.00 0.64 H new ATOM 0 HG LEU A 5 4.736 -6.374 -0.394 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.029 -5.615 1.825 1.00 1.14 H new ATOM 0 HD12 LEU A 5 5.289 -6.869 1.912 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.710 -5.163 2.194 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.935 -4.077 -0.026 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.611 -3.548 0.251 1.00 1.01 H new ATOM 0 HD23 LEU A 5 5.126 -4.168 -1.345 1.00 1.01 H new ATOM 82 N THR A 6 5.717 -9.137 -0.734 1.00 0.53 N ATOM 83 CA THR A 6 4.965 -9.888 -1.685 1.00 0.54 C ATOM 84 C THR A 6 3.579 -9.271 -1.837 1.00 0.47 C ATOM 85 O THR A 6 3.191 -8.415 -1.024 1.00 0.45 O ATOM 86 CB THR A 6 4.879 -11.378 -1.285 1.00 0.74 C ATOM 87 OG1 THR A 6 4.456 -11.488 0.093 1.00 0.84 O ATOM 88 CG2 THR A 6 6.226 -12.063 -1.460 1.00 1.01 C ATOM 0 H THR A 6 5.524 -9.361 0.242 1.00 0.53 H new ATOM 0 HA THR A 6 5.475 -9.849 -2.648 1.00 0.54 H new ATOM 0 HB THR A 6 4.153 -11.868 -1.934 1.00 0.74 H new ATOM 0 HG1 THR A 6 3.628 -12.010 0.140 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.141 -13.111 -1.172 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.535 -11.997 -2.503 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.968 -11.573 -0.830 1.00 1.01 H new ATOM 96 N THR A 7 2.850 -9.671 -2.859 1.00 0.53 N ATOM 97 CA THR A 7 1.510 -9.158 -3.111 1.00 0.55 C ATOM 98 C THR A 7 0.601 -9.427 -1.890 1.00 0.49 C ATOM 99 O THR A 7 -0.137 -8.549 -1.435 1.00 0.47 O ATOM 100 CB THR A 7 0.925 -9.811 -4.384 1.00 0.73 C ATOM 101 OG1 THR A 7 1.950 -9.827 -5.411 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.264 -9.001 -4.895 1.00 0.95 C ATOM 0 H THR A 7 3.166 -10.361 -3.541 1.00 0.53 H new ATOM 0 HA THR A 7 1.563 -8.081 -3.269 1.00 0.55 H new ATOM 0 HB THR A 7 0.596 -10.823 -4.149 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.592 -10.241 -6.224 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.667 -9.472 -5.792 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.036 -8.964 -4.127 1.00 0.95 H new ATOM 0 HG23 THR A 7 0.061 -7.988 -5.132 1.00 0.95 H new ATOM 110 N ASP A 8 0.728 -10.631 -1.336 1.00 0.57 N ATOM 111 CA ASP A 8 -0.075 -11.056 -0.194 1.00 0.61 C ATOM 112 C ASP A 8 0.341 -10.296 1.062 1.00 0.54 C ATOM 113 O ASP A 8 -0.473 -10.079 1.967 1.00 0.53 O ATOM 114 CB ASP A 8 0.061 -12.572 0.053 1.00 0.81 C ATOM 115 CG ASP A 8 1.393 -12.964 0.656 1.00 1.41 C ATOM 116 OD1 ASP A 8 2.391 -13.097 -0.081 1.00 2.14 O ATOM 117 OD2 ASP A 8 1.471 -13.132 1.887 1.00 1.86 O ATOM 0 H ASP A 8 1.388 -11.336 -1.665 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.117 -10.834 -0.424 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -0.740 -12.898 0.716 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.072 -13.100 -0.891 1.00 0.81 H new ATOM 122 N ASP A 9 1.610 -9.909 1.124 1.00 0.55 N ATOM 123 CA ASP A 9 2.122 -9.152 2.261 1.00 0.57 C ATOM 124 C ASP A 9 1.556 -7.750 2.204 1.00 0.50 C ATOM 125 O ASP A 9 1.119 -7.181 3.211 1.00 0.57 O ATOM 126 CB ASP A 9 3.641 -9.079 2.250 1.00 0.65 C ATOM 127 CG ASP A 9 4.183 -8.730 3.611 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.103 -7.547 4.008 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.686 -9.610 4.306 1.00 1.61 O ATOM 0 H ASP A 9 2.303 -10.106 0.402 1.00 0.55 H new ATOM 0 HA ASP A 9 1.818 -9.658 3.177 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.051 -10.036 1.928 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.966 -8.333 1.525 1.00 0.65 H new ATOM 134 N LEU A 10 1.527 -7.215 0.991 1.00 0.43 N ATOM 135 CA LEU A 10 0.981 -5.900 0.729 1.00 0.43 C ATOM 136 C LEU A 10 -0.509 -5.910 1.026 1.00 0.41 C ATOM 137 O LEU A 10 -1.058 -4.919 1.516 1.00 0.47 O ATOM 138 CB LEU A 10 1.243 -5.501 -0.730 1.00 0.46 C ATOM 139 CG LEU A 10 0.710 -4.136 -1.178 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.324 -3.011 -0.357 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.986 -3.928 -2.654 1.00 0.79 C ATOM 0 H LEU A 10 1.884 -7.687 0.160 1.00 0.43 H new ATOM 0 HA LEU A 10 1.466 -5.166 1.372 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.320 -5.518 -0.899 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.807 -6.264 -1.375 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.367 -4.119 -1.014 1.00 0.57 H new ATOM 0 HD11 LEU A 10 0.928 -2.054 -0.697 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.078 -3.152 0.695 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.407 -3.019 -0.481 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.603 -2.955 -2.962 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.061 -3.968 -2.832 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.493 -4.711 -3.230 1.00 0.79 H new ATOM 153 N ARG A 11 -1.154 -7.042 0.725 1.00 0.39 N ATOM 154 CA ARG A 11 -2.551 -7.262 1.058 1.00 0.44 C ATOM 155 C ARG A 11 -2.783 -6.970 2.525 1.00 0.44 C ATOM 156 O ARG A 11 -3.694 -6.235 2.855 1.00 0.48 O ATOM 157 CB ARG A 11 -2.992 -8.692 0.724 1.00 0.52 C ATOM 158 CG ARG A 11 -4.473 -8.955 0.964 1.00 0.70 C ATOM 159 CD ARG A 11 -4.840 -10.398 0.670 1.00 0.85 C ATOM 160 NE ARG A 11 -4.640 -10.775 -0.734 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.190 -11.972 -1.143 1.00 1.67 C ATOM 162 NH1 ARG A 11 -3.623 -12.808 -0.279 1.00 2.17 N ATOM 163 NH2 ARG A 11 -4.237 -12.280 -2.430 1.00 2.23 N ATOM 0 H ARG A 11 -0.715 -7.827 0.244 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.153 -6.582 0.455 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.762 -8.898 -0.321 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.408 -9.391 1.323 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.722 -8.720 1.999 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.067 -8.293 0.335 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -4.242 -11.054 1.303 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.884 -10.561 0.937 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.858 -10.080 -1.448 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -3.528 -12.542 0.701 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -3.283 -13.716 -0.596 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -4.613 -11.610 -3.101 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -3.897 -13.187 -2.750 1.00 2.23 H new ATOM 177 N ARG A 12 -1.902 -7.513 3.394 1.00 0.47 N ATOM 178 CA ARG A 12 -1.990 -7.286 4.844 1.00 0.54 C ATOM 179 C ARG A 12 -1.973 -5.819 5.173 1.00 0.54 C ATOM 180 O ARG A 12 -2.821 -5.337 5.901 1.00 0.62 O ATOM 181 CB ARG A 12 -0.839 -7.916 5.620 1.00 0.64 C ATOM 182 CG ARG A 12 -0.842 -9.416 5.763 1.00 1.04 C ATOM 183 CD ARG A 12 0.132 -9.805 6.874 1.00 1.27 C ATOM 184 NE ARG A 12 -0.221 -9.098 8.126 1.00 1.78 N ATOM 185 CZ ARG A 12 0.568 -8.885 9.190 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.786 -9.420 9.272 1.00 2.59 N ATOM 187 NH2 ARG A 12 0.101 -8.128 10.185 1.00 3.25 N ATOM 0 H ARG A 12 -1.125 -8.110 3.112 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.931 -7.751 5.138 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.093 -7.625 5.136 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.828 -7.482 6.620 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.845 -9.771 5.999 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.550 -9.886 4.824 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.102 -10.883 7.034 1.00 1.27 H new ATOM 0 HD3 ARG A 12 1.151 -9.554 6.580 1.00 1.27 H new ATOM 0 HE ARG A 12 -1.171 -8.732 8.186 1.00 1.78 H new ATOM 0 HH11 ARG A 12 2.137 -10.006 8.515 1.00 2.59 H new ATOM 0 HH12 ARG A 12 2.367 -9.243 10.092 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -0.835 -7.727 10.125 1.00 3.25 H new ATOM 0 HH22 ARG A 12 0.680 -7.950 11.006 1.00 3.25 H new ATOM 201 N ALA A 13 -1.014 -5.111 4.604 1.00 0.52 N ATOM 202 CA ALA A 13 -0.824 -3.703 4.900 1.00 0.59 C ATOM 203 C ALA A 13 -2.048 -2.910 4.504 1.00 0.59 C ATOM 204 O ALA A 13 -2.532 -2.071 5.272 1.00 0.69 O ATOM 205 CB ALA A 13 0.406 -3.173 4.184 1.00 0.66 C ATOM 0 H ALA A 13 -0.350 -5.492 3.929 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.674 -3.592 5.974 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.535 -2.116 4.416 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.285 -3.727 4.513 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.282 -3.296 3.108 1.00 0.66 H new ATOM 211 N LEU A 14 -2.562 -3.203 3.336 1.00 0.52 N ATOM 212 CA LEU A 14 -3.738 -2.544 2.831 1.00 0.55 C ATOM 213 C LEU A 14 -4.983 -2.895 3.658 1.00 0.58 C ATOM 214 O LEU A 14 -5.610 -2.022 4.231 1.00 0.68 O ATOM 215 CB LEU A 14 -3.952 -2.871 1.353 1.00 0.52 C ATOM 216 CG LEU A 14 -2.841 -2.431 0.386 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.174 -2.851 -1.018 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.639 -0.932 0.431 1.00 1.05 C ATOM 0 H LEU A 14 -2.175 -3.907 2.708 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.578 -1.470 2.923 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.081 -3.949 1.257 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.886 -2.409 1.033 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.916 -2.915 0.700 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.378 -2.533 -1.691 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.272 -3.936 -1.060 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -4.113 -2.390 -1.323 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.847 -0.651 -0.263 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -3.565 -0.431 0.148 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -2.359 -0.633 1.441 1.00 1.05 H new ATOM 230 N VAL A 15 -5.279 -4.182 3.785 1.00 0.57 N ATOM 231 CA VAL A 15 -6.512 -4.644 4.455 1.00 0.66 C ATOM 232 C VAL A 15 -6.515 -4.333 5.976 1.00 0.72 C ATOM 233 O VAL A 15 -7.569 -4.302 6.623 1.00 0.91 O ATOM 234 CB VAL A 15 -6.790 -6.171 4.198 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.806 -7.061 4.938 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.217 -6.568 4.525 1.00 1.01 C ATOM 0 H VAL A 15 -4.687 -4.935 3.435 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.326 -4.076 4.005 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.646 -6.323 3.128 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.035 -8.107 4.732 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.792 -6.839 4.604 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.884 -6.877 6.010 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.353 -7.632 4.329 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.420 -6.364 5.576 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.906 -5.994 3.905 1.00 1.01 H new ATOM 246 N GLU A 16 -5.352 -4.109 6.541 1.00 0.66 N ATOM 247 CA GLU A 16 -5.278 -3.736 7.932 1.00 0.79 C ATOM 248 C GLU A 16 -5.431 -2.238 8.111 1.00 0.83 C ATOM 249 O GLU A 16 -5.788 -1.763 9.193 1.00 0.98 O ATOM 250 CB GLU A 16 -4.039 -4.297 8.614 1.00 0.94 C ATOM 251 CG GLU A 16 -4.106 -5.810 8.806 1.00 1.08 C ATOM 252 CD GLU A 16 -2.896 -6.369 9.498 1.00 1.28 C ATOM 253 OE1 GLU A 16 -2.586 -5.949 10.631 1.00 1.49 O ATOM 254 OE2 GLU A 16 -2.231 -7.263 8.931 1.00 1.71 O ATOM 0 H GLU A 16 -4.453 -4.178 6.064 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.124 -4.197 8.441 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.159 -4.049 8.021 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.915 -3.817 9.585 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.996 -6.058 9.385 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.215 -6.289 7.833 1.00 1.08 H new ATOM 261 N SER A 17 -5.169 -1.499 7.056 1.00 0.77 N ATOM 262 CA SER A 17 -5.404 -0.083 7.066 1.00 0.91 C ATOM 263 C SER A 17 -6.879 0.146 6.742 1.00 0.95 C ATOM 264 O SER A 17 -7.585 0.882 7.446 1.00 1.24 O ATOM 265 CB SER A 17 -4.524 0.617 6.033 1.00 0.98 C ATOM 266 OG SER A 17 -3.142 0.332 6.244 1.00 1.24 O ATOM 0 H SER A 17 -4.792 -1.862 6.180 1.00 0.77 H new ATOM 0 HA SER A 17 -5.158 0.330 8.044 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.813 0.299 5.031 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.687 1.694 6.085 1.00 0.98 H new ATOM 0 HG SER A 17 -2.972 -0.616 6.062 1.00 1.24 H new ATOM 272 N ALA A 18 -7.343 -0.546 5.709 1.00 0.83 N ATOM 273 CA ALA A 18 -8.700 -0.460 5.248 1.00 0.94 C ATOM 274 C ALA A 18 -9.058 -1.676 4.417 1.00 1.41 C ATOM 275 O ALA A 18 -8.755 -1.744 3.226 1.00 2.05 O ATOM 276 CB ALA A 18 -8.896 0.778 4.409 1.00 1.05 C ATOM 0 H ALA A 18 -6.767 -1.190 5.167 1.00 0.83 H new ATOM 0 HA ALA A 18 -9.347 -0.414 6.124 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.930 0.827 4.068 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -8.669 1.662 5.005 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.231 0.742 3.546 1.00 1.05 H new ATOM 282 N GLY A 19 -9.607 -2.656 5.060 1.00 1.80 N ATOM 283 CA GLY A 19 -10.122 -3.780 4.354 1.00 2.47 C ATOM 284 C GLY A 19 -11.578 -3.578 4.167 1.00 2.48 C ATOM 285 O GLY A 19 -12.072 -3.597 3.049 1.00 3.01 O ATOM 0 H GLY A 19 -9.709 -2.699 6.074 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -9.625 -3.884 3.389 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -9.933 -4.698 4.910 1.00 2.47 H new ATOM 289 N GLU A 20 -12.251 -3.359 5.307 1.00 2.56 N ATOM 290 CA GLU A 20 -13.672 -3.000 5.410 1.00 2.99 C ATOM 291 C GLU A 20 -14.605 -3.959 4.629 1.00 3.37 C ATOM 292 O GLU A 20 -14.200 -5.059 4.227 1.00 3.90 O ATOM 293 CB GLU A 20 -13.862 -1.547 4.965 1.00 3.57 C ATOM 294 CG GLU A 20 -12.933 -0.553 5.673 1.00 4.14 C ATOM 295 CD GLU A 20 -13.062 -0.577 7.177 1.00 4.54 C ATOM 296 OE1 GLU A 20 -13.980 0.060 7.718 1.00 4.80 O ATOM 297 OE2 GLU A 20 -12.259 -1.237 7.856 1.00 4.96 O ATOM 0 H GLU A 20 -11.801 -3.430 6.219 1.00 2.56 H new ATOM 0 HA GLU A 20 -13.963 -3.103 6.455 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -13.696 -1.482 3.890 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -14.896 -1.254 5.146 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -11.901 -0.775 5.401 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -13.148 0.453 5.313 1.00 4.14 H new ATOM 304 N THR A 21 -15.871 -3.590 4.506 1.00 3.68 N ATOM 305 CA THR A 21 -16.816 -4.376 3.737 1.00 4.48 C ATOM 306 C THR A 21 -18.018 -3.488 3.298 1.00 4.44 C ATOM 307 O THR A 21 -19.093 -3.979 2.952 1.00 4.98 O ATOM 308 CB THR A 21 -17.287 -5.637 4.564 1.00 5.48 C ATOM 309 OG1 THR A 21 -18.029 -6.560 3.750 1.00 5.80 O ATOM 310 CG2 THR A 21 -18.132 -5.231 5.773 1.00 6.23 C ATOM 0 H THR A 21 -16.265 -2.750 4.930 1.00 3.68 H new ATOM 0 HA THR A 21 -16.327 -4.743 2.835 1.00 4.48 H new ATOM 0 HB THR A 21 -16.382 -6.132 4.916 1.00 5.48 H new ATOM 0 HG1 THR A 21 -18.701 -6.071 3.231 1.00 5.80 H new ATOM 0 HG21 THR A 21 -18.439 -6.123 6.319 1.00 6.23 H new ATOM 0 HG22 THR A 21 -17.544 -4.589 6.429 1.00 6.23 H new ATOM 0 HG23 THR A 21 -19.016 -4.691 5.434 1.00 6.23 H new ATOM 318 N ASP A 22 -17.770 -2.183 3.209 1.00 4.14 N ATOM 319 CA ASP A 22 -18.830 -1.197 2.892 1.00 4.35 C ATOM 320 C ASP A 22 -19.029 -1.121 1.396 1.00 4.02 C ATOM 321 O ASP A 22 -20.137 -1.213 0.874 1.00 4.29 O ATOM 322 CB ASP A 22 -18.424 0.212 3.374 1.00 4.92 C ATOM 323 CG ASP A 22 -18.009 0.269 4.814 1.00 5.42 C ATOM 324 OD1 ASP A 22 -16.857 -0.082 5.111 1.00 5.76 O ATOM 325 OD2 ASP A 22 -18.816 0.660 5.689 1.00 5.81 O ATOM 0 H ASP A 22 -16.847 -1.772 3.350 1.00 4.14 H new ATOM 0 HA ASP A 22 -19.743 -1.518 3.392 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -17.603 0.574 2.755 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -19.262 0.892 3.221 1.00 4.92 H new ATOM 330 N GLY A 23 -17.937 -0.967 0.736 1.00 3.87 N ATOM 331 CA GLY A 23 -17.858 -0.798 -0.694 1.00 3.86 C ATOM 332 C GLY A 23 -16.428 -0.577 -0.979 1.00 3.70 C ATOM 333 O GLY A 23 -15.867 -1.063 -1.955 1.00 4.24 O ATOM 0 H GLY A 23 -17.023 -0.953 1.189 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -18.232 -1.679 -1.216 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -18.461 0.048 -1.024 1.00 3.86 H new ATOM 337 N THR A 24 -15.838 0.180 -0.095 1.00 3.36 N ATOM 338 CA THR A 24 -14.422 0.304 0.004 1.00 3.53 C ATOM 339 C THR A 24 -13.903 -0.987 0.683 1.00 2.73 C ATOM 340 O THR A 24 -13.657 -1.035 1.873 1.00 3.11 O ATOM 341 CB THR A 24 -14.023 1.608 0.808 1.00 4.59 C ATOM 342 OG1 THR A 24 -12.621 1.658 1.088 1.00 5.10 O ATOM 343 CG2 THR A 24 -14.823 1.770 2.107 1.00 5.14 C ATOM 0 H THR A 24 -16.347 0.739 0.590 1.00 3.36 H new ATOM 0 HA THR A 24 -13.966 0.413 -0.980 1.00 3.53 H new ATOM 0 HB THR A 24 -14.275 2.443 0.155 1.00 4.59 H new ATOM 0 HG1 THR A 24 -12.118 1.406 0.286 1.00 5.10 H new ATOM 0 HG21 THR A 24 -14.508 2.680 2.617 1.00 5.14 H new ATOM 0 HG22 THR A 24 -15.886 1.834 1.874 1.00 5.14 H new ATOM 0 HG23 THR A 24 -14.644 0.911 2.754 1.00 5.14 H new ATOM 351 N ASP A 25 -13.928 -2.064 -0.065 1.00 2.22 N ATOM 352 CA ASP A 25 -13.493 -3.334 0.436 1.00 2.06 C ATOM 353 C ASP A 25 -12.368 -3.871 -0.404 1.00 1.66 C ATOM 354 O ASP A 25 -12.467 -3.977 -1.645 1.00 1.97 O ATOM 355 CB ASP A 25 -14.654 -4.346 0.594 1.00 2.79 C ATOM 356 CG ASP A 25 -15.346 -4.750 -0.690 1.00 3.18 C ATOM 357 OD1 ASP A 25 -16.180 -3.980 -1.196 1.00 3.73 O ATOM 358 OD2 ASP A 25 -15.020 -5.811 -1.252 1.00 3.49 O ATOM 0 H ASP A 25 -14.250 -2.079 -1.033 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.111 -3.178 1.445 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.267 -5.244 1.076 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -15.397 -3.918 1.267 1.00 2.79 H new ATOM 363 N LEU A 26 -11.291 -4.170 0.260 1.00 1.45 N ATOM 364 CA LEU A 26 -10.077 -4.595 -0.380 1.00 1.10 C ATOM 365 C LEU A 26 -9.641 -5.943 0.170 1.00 1.10 C ATOM 366 O LEU A 26 -9.493 -6.106 1.388 1.00 1.60 O ATOM 367 CB LEU A 26 -8.992 -3.500 -0.153 1.00 0.99 C ATOM 368 CG LEU A 26 -7.618 -3.630 -0.865 1.00 1.10 C ATOM 369 CD1 LEU A 26 -6.881 -2.317 -0.751 1.00 1.49 C ATOM 370 CD2 LEU A 26 -6.748 -4.727 -0.253 1.00 1.62 C ATOM 0 H LEU A 26 -11.228 -4.125 1.277 1.00 1.45 H new ATOM 0 HA LEU A 26 -10.232 -4.720 -1.452 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.425 -2.544 -0.449 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -8.801 -3.445 0.919 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.810 -3.892 -1.905 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -5.914 -2.398 -1.248 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -7.467 -1.529 -1.223 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -6.729 -2.075 0.301 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -5.798 -4.778 -0.786 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -6.563 -4.501 0.797 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -7.261 -5.685 -0.333 1.00 1.62 H new ATOM 382 N SER A 27 -9.457 -6.902 -0.726 1.00 1.08 N ATOM 383 CA SER A 27 -8.947 -8.208 -0.394 1.00 1.10 C ATOM 384 C SER A 27 -8.670 -8.953 -1.702 1.00 1.13 C ATOM 385 O SER A 27 -8.987 -8.433 -2.783 1.00 1.60 O ATOM 386 CB SER A 27 -9.942 -8.989 0.485 1.00 1.37 C ATOM 387 OG SER A 27 -9.332 -10.145 1.053 1.00 1.84 O ATOM 0 H SER A 27 -9.664 -6.784 -1.718 1.00 1.08 H new ATOM 0 HA SER A 27 -8.028 -8.110 0.183 1.00 1.10 H new ATOM 0 HB2 SER A 27 -10.313 -8.343 1.280 1.00 1.37 H new ATOM 0 HB3 SER A 27 -10.804 -9.286 -0.113 1.00 1.37 H new ATOM 0 HG SER A 27 -9.985 -10.621 1.607 1.00 1.84 H new ATOM 393 N GLY A 28 -8.086 -10.140 -1.604 1.00 0.95 N ATOM 394 CA GLY A 28 -7.759 -10.932 -2.779 1.00 1.09 C ATOM 395 C GLY A 28 -6.709 -10.271 -3.644 1.00 0.84 C ATOM 396 O GLY A 28 -5.656 -9.856 -3.140 1.00 1.04 O ATOM 0 H GLY A 28 -7.829 -10.576 -0.718 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -7.403 -11.913 -2.465 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -8.662 -11.094 -3.368 1.00 1.09 H new ATOM 400 N ASP A 29 -6.974 -10.162 -4.916 1.00 0.80 N ATOM 401 CA ASP A 29 -6.044 -9.505 -5.818 1.00 0.86 C ATOM 402 C ASP A 29 -6.519 -8.087 -6.008 1.00 0.77 C ATOM 403 O ASP A 29 -7.719 -7.838 -6.100 1.00 1.01 O ATOM 404 CB ASP A 29 -5.949 -10.207 -7.175 1.00 1.28 C ATOM 405 CG ASP A 29 -4.741 -9.740 -7.981 1.00 1.96 C ATOM 406 OD1 ASP A 29 -4.783 -8.601 -8.521 1.00 2.38 O ATOM 407 OD2 ASP A 29 -3.748 -10.499 -8.126 1.00 2.61 O ATOM 0 H ASP A 29 -7.822 -10.516 -5.359 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.046 -9.538 -5.381 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -5.887 -11.284 -7.021 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -6.859 -10.018 -7.745 1.00 1.28 H new ATOM 412 N PHE A 30 -5.608 -7.172 -6.035 1.00 0.58 N ATOM 413 CA PHE A 30 -5.937 -5.756 -6.101 1.00 0.52 C ATOM 414 C PHE A 30 -4.826 -4.981 -6.775 1.00 0.46 C ATOM 415 O PHE A 30 -4.873 -3.757 -6.830 1.00 0.44 O ATOM 416 CB PHE A 30 -6.083 -5.232 -4.654 1.00 0.56 C ATOM 417 CG PHE A 30 -4.920 -5.658 -3.774 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.718 -4.992 -3.847 1.00 0.73 C ATOM 419 CD2 PHE A 30 -5.052 -6.683 -2.847 1.00 0.67 C ATOM 420 CE1 PHE A 30 -2.677 -5.339 -3.028 1.00 0.86 C ATOM 421 CE2 PHE A 30 -4.013 -7.025 -2.019 1.00 0.84 C ATOM 422 CZ PHE A 30 -2.784 -6.506 -2.237 1.00 0.89 C ATOM 0 H PHE A 30 -4.607 -7.368 -6.013 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.857 -5.626 -6.671 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.148 -4.144 -4.667 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.015 -5.602 -4.227 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -3.595 -4.188 -4.557 1.00 0.73 H new ATOM 0 HD2 PHE A 30 -5.987 -7.219 -2.777 1.00 0.67 H new ATOM 0 HE1 PHE A 30 -1.786 -4.730 -2.987 1.00 0.86 H new ATOM 0 HE2 PHE A 30 -4.176 -7.706 -1.197 1.00 0.84 H new ATOM 0 HZ PHE A 30 -1.905 -6.972 -1.817 1.00 0.89 H new ATOM 432 N LEU A 31 -3.831 -5.704 -7.289 1.00 0.48 N ATOM 433 CA LEU A 31 -2.569 -5.096 -7.735 1.00 0.49 C ATOM 434 C LEU A 31 -2.754 -3.934 -8.718 1.00 0.43 C ATOM 435 O LEU A 31 -2.053 -2.921 -8.633 1.00 0.46 O ATOM 436 CB LEU A 31 -1.629 -6.124 -8.352 1.00 0.62 C ATOM 437 CG LEU A 31 -0.184 -5.657 -8.464 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.510 -5.726 -7.112 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.588 -6.398 -9.534 1.00 1.53 C ATOM 0 H LEU A 31 -3.871 -6.716 -7.409 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.125 -4.691 -6.825 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.660 -7.034 -7.753 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -1.994 -6.384 -9.346 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.206 -4.614 -8.780 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.541 -5.388 -7.215 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.013 -5.086 -6.402 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.500 -6.754 -6.750 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.611 -6.024 -9.569 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.599 -7.463 -9.303 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.111 -6.241 -10.501 1.00 1.53 H new ATOM 451 N ASP A 32 -3.708 -4.075 -9.613 1.00 0.43 N ATOM 452 CA ASP A 32 -3.887 -3.110 -10.696 1.00 0.49 C ATOM 453 C ASP A 32 -5.023 -2.148 -10.408 1.00 0.41 C ATOM 454 O ASP A 32 -5.393 -1.339 -11.260 1.00 0.51 O ATOM 455 CB ASP A 32 -4.184 -3.836 -12.011 1.00 0.68 C ATOM 456 CG ASP A 32 -3.177 -4.900 -12.365 1.00 1.43 C ATOM 457 OD1 ASP A 32 -2.056 -4.571 -12.812 1.00 2.17 O ATOM 458 OD2 ASP A 32 -3.491 -6.101 -12.218 1.00 1.99 O ATOM 0 H ASP A 32 -4.376 -4.846 -9.619 1.00 0.43 H new ATOM 0 HA ASP A 32 -2.959 -2.545 -10.778 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -5.172 -4.292 -11.947 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -4.222 -3.104 -12.818 1.00 0.68 H new ATOM 463 N LEU A 33 -5.565 -2.210 -9.222 1.00 0.36 N ATOM 464 CA LEU A 33 -6.707 -1.379 -8.876 1.00 0.35 C ATOM 465 C LEU A 33 -6.290 -0.004 -8.431 1.00 0.32 C ATOM 466 O LEU A 33 -5.327 0.161 -7.694 1.00 0.38 O ATOM 467 CB LEU A 33 -7.604 -2.031 -7.805 1.00 0.46 C ATOM 468 CG LEU A 33 -8.619 -3.089 -8.280 1.00 0.70 C ATOM 469 CD1 LEU A 33 -7.956 -4.241 -9.002 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.425 -3.599 -7.106 1.00 1.56 C ATOM 0 H LEU A 33 -5.242 -2.823 -8.474 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.291 -1.281 -9.791 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -6.957 -2.495 -7.060 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.155 -1.238 -7.299 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.283 -2.603 -8.995 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.714 -4.958 -9.316 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.427 -3.865 -9.878 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.248 -4.731 -8.333 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.139 -4.346 -7.452 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -8.755 -4.049 -6.373 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -9.962 -2.770 -6.646 1.00 1.56 H new ATOM 482 N ARG A 34 -7.010 0.975 -8.900 1.00 0.39 N ATOM 483 CA ARG A 34 -6.781 2.344 -8.518 1.00 0.49 C ATOM 484 C ARG A 34 -7.349 2.582 -7.128 1.00 0.45 C ATOM 485 O ARG A 34 -8.527 2.261 -6.876 1.00 0.50 O ATOM 486 CB ARG A 34 -7.433 3.295 -9.527 1.00 0.73 C ATOM 487 CG ARG A 34 -6.789 3.287 -10.905 1.00 0.89 C ATOM 488 CD ARG A 34 -5.365 3.778 -10.812 1.00 0.95 C ATOM 489 NE ARG A 34 -4.695 3.882 -12.107 1.00 1.79 N ATOM 490 CZ ARG A 34 -4.149 5.015 -12.561 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.441 6.179 -11.969 1.00 2.76 N ATOM 492 NH2 ARG A 34 -3.353 5.003 -13.613 1.00 3.48 N ATOM 0 H ARG A 34 -7.776 0.848 -9.561 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.709 2.538 -8.507 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.485 3.030 -9.630 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.397 4.309 -9.128 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -6.808 2.279 -11.319 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -7.358 3.922 -11.585 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.357 4.755 -10.329 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -4.798 3.102 -10.172 1.00 0.95 H new ATOM 0 HE ARG A 34 -4.641 3.049 -12.693 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -5.079 6.201 -11.173 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -4.026 7.045 -12.313 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -3.149 4.124 -14.088 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -2.942 5.873 -13.951 1.00 3.48 H new ATOM 506 N PHE A 35 -6.520 3.123 -6.235 1.00 0.43 N ATOM 507 CA PHE A 35 -6.909 3.420 -4.843 1.00 0.43 C ATOM 508 C PHE A 35 -8.223 4.198 -4.748 1.00 0.48 C ATOM 509 O PHE A 35 -9.075 3.895 -3.904 1.00 0.52 O ATOM 510 CB PHE A 35 -5.792 4.145 -4.077 1.00 0.44 C ATOM 511 CG PHE A 35 -4.575 3.298 -3.808 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.666 2.168 -3.011 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.343 3.643 -4.324 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.552 1.402 -2.737 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.221 2.879 -4.058 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.327 1.757 -3.263 1.00 0.60 C ATOM 0 H PHE A 35 -5.554 3.371 -6.451 1.00 0.43 H new ATOM 0 HA PHE A 35 -7.073 2.453 -4.368 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.490 5.025 -4.645 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.190 4.500 -3.127 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.623 1.883 -2.599 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.253 4.522 -4.945 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.639 0.526 -2.112 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.264 3.160 -4.472 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.453 1.158 -3.053 1.00 0.60 H new ATOM 526 N GLU A 36 -8.394 5.157 -5.635 1.00 0.53 N ATOM 527 CA GLU A 36 -9.606 5.977 -5.716 1.00 0.67 C ATOM 528 C GLU A 36 -10.889 5.121 -5.825 1.00 0.73 C ATOM 529 O GLU A 36 -11.936 5.478 -5.289 1.00 0.87 O ATOM 530 CB GLU A 36 -9.528 6.887 -6.940 1.00 0.75 C ATOM 531 CG GLU A 36 -9.316 6.114 -8.228 1.00 1.26 C ATOM 532 CD GLU A 36 -9.513 6.922 -9.453 1.00 1.59 C ATOM 533 OE1 GLU A 36 -10.670 7.110 -9.860 1.00 2.04 O ATOM 534 OE2 GLU A 36 -8.531 7.311 -10.088 1.00 1.90 O ATOM 0 H GLU A 36 -7.691 5.399 -6.333 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.660 6.560 -4.796 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.447 7.467 -7.016 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.712 7.598 -6.809 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.305 5.706 -8.233 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.002 5.267 -8.249 1.00 1.26 H new ATOM 541 N ASP A 37 -10.790 3.984 -6.492 1.00 0.70 N ATOM 542 CA ASP A 37 -11.960 3.170 -6.765 1.00 0.83 C ATOM 543 C ASP A 37 -12.238 2.199 -5.641 1.00 0.82 C ATOM 544 O ASP A 37 -13.357 1.762 -5.448 1.00 0.98 O ATOM 545 CB ASP A 37 -11.819 2.443 -8.100 1.00 0.94 C ATOM 546 CG ASP A 37 -13.044 1.634 -8.446 1.00 1.41 C ATOM 547 OD1 ASP A 37 -14.135 2.212 -8.561 1.00 1.71 O ATOM 548 OD2 ASP A 37 -12.933 0.386 -8.566 1.00 2.12 O ATOM 0 H ASP A 37 -9.914 3.605 -6.853 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.817 3.839 -6.834 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.633 3.171 -8.889 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.951 1.785 -8.062 1.00 0.94 H new ATOM 553 N ILE A 38 -11.230 1.905 -4.860 1.00 0.68 N ATOM 554 CA ILE A 38 -11.400 1.002 -3.733 1.00 0.70 C ATOM 555 C ILE A 38 -11.644 1.779 -2.455 1.00 0.72 C ATOM 556 O ILE A 38 -11.546 1.243 -1.356 1.00 0.82 O ATOM 557 CB ILE A 38 -10.211 0.017 -3.553 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.874 0.772 -3.508 1.00 0.63 C ATOM 559 CG2 ILE A 38 -10.218 -1.033 -4.643 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.648 -0.110 -3.397 1.00 0.75 C ATOM 0 H ILE A 38 -10.285 2.271 -4.976 1.00 0.68 H new ATOM 0 HA ILE A 38 -12.276 0.394 -3.957 1.00 0.70 H new ATOM 0 HB ILE A 38 -10.330 -0.494 -2.598 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.786 1.380 -4.408 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.889 1.457 -2.661 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -9.378 -1.713 -4.499 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -11.151 -1.595 -4.601 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -10.130 -0.549 -5.615 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.753 0.512 -3.372 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.706 -0.700 -2.482 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.601 -0.778 -4.257 1.00 0.75 H new ATOM 572 N GLY A 39 -12.029 3.042 -2.632 1.00 0.75 N ATOM 573 CA GLY A 39 -12.329 3.929 -1.527 1.00 0.87 C ATOM 574 C GLY A 39 -11.139 4.147 -0.622 1.00 0.68 C ATOM 575 O GLY A 39 -11.291 4.310 0.583 1.00 0.76 O ATOM 0 H GLY A 39 -12.140 3.472 -3.550 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.666 4.889 -1.917 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -13.153 3.515 -0.946 1.00 0.87 H new ATOM 579 N TYR A 40 -9.972 4.147 -1.194 1.00 0.55 N ATOM 580 CA TYR A 40 -8.761 4.289 -0.449 1.00 0.52 C ATOM 581 C TYR A 40 -8.310 5.728 -0.566 1.00 0.56 C ATOM 582 O TYR A 40 -7.796 6.142 -1.608 1.00 0.71 O ATOM 583 CB TYR A 40 -7.713 3.361 -1.044 1.00 0.60 C ATOM 584 CG TYR A 40 -6.900 2.596 -0.049 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.411 1.488 0.592 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.619 3.006 0.264 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.669 0.807 1.526 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.867 2.333 1.189 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.405 1.135 1.752 1.00 0.93 C ATOM 590 OH TYR A 40 -4.658 0.557 2.747 1.00 1.21 O ATOM 0 H TYR A 40 -9.835 4.047 -2.200 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.909 4.033 0.600 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -8.212 2.651 -1.704 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -7.038 3.951 -1.663 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.409 1.150 0.356 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.203 3.872 -0.229 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.119 -0.003 2.081 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -3.894 2.697 1.485 1.00 0.79 H new ATOM 0 HH TYR A 40 -3.788 1.005 2.805 1.00 1.21 H new ATOM 600 N ASP A 41 -8.548 6.496 0.460 1.00 0.58 N ATOM 601 CA ASP A 41 -8.191 7.906 0.439 1.00 0.77 C ATOM 602 C ASP A 41 -6.751 8.085 0.855 1.00 0.91 C ATOM 603 O ASP A 41 -6.091 7.127 1.292 1.00 1.78 O ATOM 604 CB ASP A 41 -9.094 8.747 1.371 1.00 0.86 C ATOM 605 CG ASP A 41 -10.560 8.741 0.995 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.956 9.444 0.045 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.354 8.018 1.634 1.00 2.34 O ATOM 0 H ASP A 41 -8.987 6.180 1.325 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.334 8.257 -0.583 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.991 8.373 2.390 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -8.736 9.777 1.371 1.00 0.86 H new ATOM 612 N SER A 42 -6.268 9.304 0.715 1.00 0.59 N ATOM 613 CA SER A 42 -4.928 9.719 1.120 1.00 0.58 C ATOM 614 C SER A 42 -4.633 9.314 2.584 1.00 0.51 C ATOM 615 O SER A 42 -3.507 8.936 2.938 1.00 0.51 O ATOM 616 CB SER A 42 -4.867 11.226 0.979 1.00 0.71 C ATOM 617 OG SER A 42 -6.002 11.793 1.721 1.00 0.97 O ATOM 0 H SER A 42 -6.811 10.062 0.303 1.00 0.59 H new ATOM 0 HA SER A 42 -4.181 9.231 0.494 1.00 0.58 H new ATOM 0 HB2 SER A 42 -3.925 11.609 1.371 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.915 11.514 -0.071 1.00 0.71 H new ATOM 622 N LEU A 43 -5.669 9.390 3.412 1.00 0.48 N ATOM 623 CA LEU A 43 -5.583 9.057 4.815 1.00 0.51 C ATOM 624 C LEU A 43 -5.263 7.564 4.968 1.00 0.46 C ATOM 625 O LEU A 43 -4.402 7.187 5.746 1.00 0.50 O ATOM 626 CB LEU A 43 -6.906 9.456 5.528 1.00 0.60 C ATOM 627 CG LEU A 43 -6.908 9.540 7.081 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.816 8.176 7.754 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.778 10.439 7.555 1.00 1.64 C ATOM 0 H LEU A 43 -6.599 9.689 3.117 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.776 9.615 5.290 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.212 10.428 5.142 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.673 8.740 5.232 1.00 0.60 H new ATOM 0 HG LEU A 43 -7.868 9.966 7.373 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.822 8.303 8.837 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -7.668 7.565 7.456 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.892 7.683 7.452 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.787 10.492 8.644 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -4.824 10.032 7.220 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.911 11.439 7.142 1.00 1.64 H new ATOM 641 N ALA A 44 -5.928 6.728 4.196 1.00 0.44 N ATOM 642 CA ALA A 44 -5.661 5.300 4.233 1.00 0.45 C ATOM 643 C ALA A 44 -4.249 5.017 3.739 1.00 0.41 C ATOM 644 O ALA A 44 -3.551 4.162 4.287 1.00 0.47 O ATOM 645 CB ALA A 44 -6.683 4.535 3.414 1.00 0.51 C ATOM 0 H ALA A 44 -6.655 7.009 3.537 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.742 4.961 5.266 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.460 3.469 3.458 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.680 4.715 3.816 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.644 4.871 2.378 1.00 0.51 H new ATOM 651 N LEU A 45 -3.819 5.780 2.735 1.00 0.39 N ATOM 652 CA LEU A 45 -2.479 5.649 2.178 1.00 0.42 C ATOM 653 C LEU A 45 -1.400 5.912 3.222 1.00 0.41 C ATOM 654 O LEU A 45 -0.435 5.151 3.310 1.00 0.44 O ATOM 655 CB LEU A 45 -2.264 6.563 0.960 1.00 0.50 C ATOM 656 CG LEU A 45 -3.081 6.243 -0.294 1.00 0.61 C ATOM 657 CD1 LEU A 45 -2.730 7.210 -1.410 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.824 4.817 -0.746 1.00 0.90 C ATOM 0 H LEU A 45 -4.387 6.501 2.289 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.392 4.615 1.846 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -2.488 7.587 1.260 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -1.207 6.532 0.694 1.00 0.50 H new ATOM 0 HG LEU A 45 -4.139 6.349 -0.052 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -3.318 6.972 -2.296 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -2.951 8.229 -1.091 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -1.669 7.125 -1.645 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -3.413 4.607 -1.639 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -1.765 4.692 -0.972 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -3.109 4.127 0.048 1.00 0.90 H new ATOM 670 N MET A 46 -1.569 6.968 4.032 1.00 0.42 N ATOM 671 CA MET A 46 -0.562 7.296 5.056 1.00 0.48 C ATOM 672 C MET A 46 -0.471 6.189 6.103 1.00 0.46 C ATOM 673 O MET A 46 0.618 5.865 6.568 1.00 0.53 O ATOM 674 CB MET A 46 -0.796 8.676 5.743 1.00 0.57 C ATOM 675 CG MET A 46 -2.027 8.755 6.642 1.00 0.58 C ATOM 676 SD MET A 46 -2.197 10.324 7.529 1.00 1.46 S ATOM 677 CE MET A 46 -0.718 10.319 8.545 1.00 1.78 C ATOM 0 H MET A 46 -2.372 7.596 4.002 1.00 0.42 H new ATOM 0 HA MET A 46 0.388 7.373 4.527 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.084 8.922 6.337 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.882 9.439 4.969 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.918 8.595 6.035 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.986 7.943 7.368 1.00 0.58 H new ATOM 0 HE1 MET A 46 -0.594 11.296 9.011 1.00 1.78 H new ATOM 0 HE2 MET A 46 -0.811 9.557 9.319 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.150 10.101 7.923 1.00 1.78 H new ATOM 687 N GLU A 47 -1.614 5.587 6.438 1.00 0.44 N ATOM 688 CA GLU A 47 -1.654 4.505 7.411 1.00 0.49 C ATOM 689 C GLU A 47 -0.856 3.313 6.890 1.00 0.47 C ATOM 690 O GLU A 47 0.002 2.765 7.592 1.00 0.51 O ATOM 691 CB GLU A 47 -3.102 4.088 7.702 1.00 0.54 C ATOM 692 CG GLU A 47 -3.982 5.214 8.224 1.00 0.78 C ATOM 693 CD GLU A 47 -3.509 5.789 9.537 1.00 1.06 C ATOM 694 OE1 GLU A 47 -2.657 6.708 9.528 1.00 1.88 O ATOM 695 OE2 GLU A 47 -3.953 5.317 10.610 1.00 1.03 O ATOM 0 H GLU A 47 -2.523 5.834 6.047 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.208 4.856 8.342 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.544 3.690 6.789 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.096 3.279 8.432 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -4.019 6.010 7.480 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -5.000 4.843 8.345 1.00 0.78 H new ATOM 702 N THR A 48 -1.128 2.941 5.658 1.00 0.45 N ATOM 703 CA THR A 48 -0.453 1.846 5.002 1.00 0.48 C ATOM 704 C THR A 48 1.057 2.120 4.893 1.00 0.44 C ATOM 705 O THR A 48 1.881 1.292 5.313 1.00 0.46 O ATOM 706 CB THR A 48 -1.053 1.670 3.608 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.464 1.482 3.754 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.449 0.468 2.900 1.00 0.65 C ATOM 0 H THR A 48 -1.833 3.397 5.078 1.00 0.45 H new ATOM 0 HA THR A 48 -0.587 0.937 5.588 1.00 0.48 H new ATOM 0 HB THR A 48 -0.838 2.554 3.007 1.00 0.54 H new ATOM 0 HG1 THR A 48 -2.647 1.023 4.601 1.00 0.63 H new ATOM 0 HG21 THR A 48 -0.894 0.367 1.910 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.628 0.607 2.801 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.646 -0.433 3.480 1.00 0.65 H new ATOM 716 N ALA A 49 1.397 3.287 4.343 1.00 0.45 N ATOM 717 CA ALA A 49 2.777 3.689 4.122 1.00 0.48 C ATOM 718 C ALA A 49 3.585 3.627 5.404 1.00 0.44 C ATOM 719 O ALA A 49 4.600 2.929 5.462 1.00 0.45 O ATOM 720 CB ALA A 49 2.832 5.091 3.529 1.00 0.57 C ATOM 0 H ALA A 49 0.714 3.981 4.038 1.00 0.45 H new ATOM 0 HA ALA A 49 3.219 2.987 3.415 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.871 5.378 3.369 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.301 5.104 2.577 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.363 5.795 4.216 1.00 0.57 H new ATOM 726 N ALA A 50 3.091 4.291 6.441 1.00 0.44 N ATOM 727 CA ALA A 50 3.776 4.373 7.725 1.00 0.46 C ATOM 728 C ALA A 50 4.012 3.009 8.345 1.00 0.44 C ATOM 729 O ALA A 50 5.072 2.767 8.938 1.00 0.44 O ATOM 730 CB ALA A 50 2.996 5.239 8.681 1.00 0.56 C ATOM 0 H ALA A 50 2.201 4.789 6.415 1.00 0.44 H new ATOM 0 HA ALA A 50 4.752 4.820 7.535 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.520 5.291 9.635 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.898 6.242 8.266 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.005 4.811 8.834 1.00 0.56 H new ATOM 736 N ARG A 51 3.044 2.116 8.187 1.00 0.46 N ATOM 737 CA ARG A 51 3.119 0.785 8.767 1.00 0.48 C ATOM 738 C ARG A 51 4.201 -0.047 8.068 1.00 0.46 C ATOM 739 O ARG A 51 4.857 -0.889 8.690 1.00 0.49 O ATOM 740 CB ARG A 51 1.747 0.089 8.699 1.00 0.54 C ATOM 741 CG ARG A 51 1.676 -1.245 9.434 1.00 0.78 C ATOM 742 CD ARG A 51 0.271 -1.845 9.395 1.00 0.80 C ATOM 743 NE ARG A 51 -0.740 -0.968 10.024 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.846 -1.379 10.657 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.022 -2.670 10.924 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.728 -0.483 11.094 1.00 3.14 N ATOM 0 H ARG A 51 2.191 2.293 7.657 1.00 0.46 H new ATOM 0 HA ARG A 51 3.396 0.877 9.817 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.994 0.758 9.114 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.488 -0.073 7.653 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.382 -1.944 8.985 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.982 -1.105 10.471 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.011 -2.033 8.359 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.277 -2.809 9.904 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.581 0.038 9.971 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.314 -3.349 10.646 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.865 -2.981 11.406 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.560 0.512 10.946 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.572 -0.792 11.577 1.00 3.14 H new ATOM 760 N LEU A 52 4.398 0.202 6.788 1.00 0.44 N ATOM 761 CA LEU A 52 5.424 -0.491 6.033 1.00 0.46 C ATOM 762 C LEU A 52 6.793 0.109 6.303 1.00 0.38 C ATOM 763 O LEU A 52 7.785 -0.622 6.396 1.00 0.40 O ATOM 764 CB LEU A 52 5.112 -0.492 4.534 1.00 0.55 C ATOM 765 CG LEU A 52 3.927 -1.355 4.102 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.627 -1.156 2.630 1.00 0.83 C ATOM 767 CD2 LEU A 52 4.212 -2.821 4.380 1.00 0.80 C ATOM 0 H LEU A 52 3.860 0.880 6.248 1.00 0.44 H new ATOM 0 HA LEU A 52 5.436 -1.529 6.367 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.923 0.535 4.221 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.998 -0.831 3.998 1.00 0.55 H new ATOM 0 HG LEU A 52 3.054 -1.048 4.679 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.780 -1.780 2.344 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.385 -0.109 2.446 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.500 -1.436 2.040 1.00 0.83 H new ATOM 0 HD21 LEU A 52 3.359 -3.423 4.067 1.00 0.80 H new ATOM 0 HD22 LEU A 52 5.098 -3.131 3.826 1.00 0.80 H new ATOM 0 HD23 LEU A 52 4.384 -2.962 5.447 1.00 0.80 H new ATOM 779 N GLU A 53 6.836 1.430 6.460 1.00 0.35 N ATOM 780 CA GLU A 53 8.079 2.147 6.749 1.00 0.33 C ATOM 781 C GLU A 53 8.739 1.616 8.002 1.00 0.34 C ATOM 782 O GLU A 53 9.904 1.211 7.975 1.00 0.41 O ATOM 783 CB GLU A 53 7.834 3.638 6.917 1.00 0.34 C ATOM 784 CG GLU A 53 7.334 4.341 5.684 1.00 0.35 C ATOM 785 CD GLU A 53 7.044 5.796 5.944 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.457 6.124 7.008 1.00 0.59 O ATOM 787 OE2 GLU A 53 7.438 6.646 5.116 1.00 0.49 O ATOM 0 H GLU A 53 6.016 2.032 6.391 1.00 0.35 H new ATOM 0 HA GLU A 53 8.739 1.986 5.896 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.111 3.784 7.719 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.763 4.110 7.235 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.077 4.255 4.891 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.429 3.849 5.328 1.00 0.35 H new ATOM 794 N SER A 54 7.985 1.585 9.074 1.00 0.36 N ATOM 795 CA SER A 54 8.475 1.145 10.355 1.00 0.43 C ATOM 796 C SER A 54 8.885 -0.331 10.323 1.00 0.42 C ATOM 797 O SER A 54 10.006 -0.682 10.696 1.00 0.48 O ATOM 798 CB SER A 54 7.399 1.398 11.398 1.00 0.55 C ATOM 799 OG SER A 54 6.155 0.891 10.938 1.00 1.22 O ATOM 0 H SER A 54 7.005 1.867 9.080 1.00 0.36 H new ATOM 0 HA SER A 54 9.371 1.709 10.612 1.00 0.43 H new ATOM 0 HB2 SER A 54 7.672 0.920 12.339 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.316 2.467 11.596 1.00 0.55 H new ATOM 0 HG SER A 54 5.711 1.567 10.384 1.00 1.22 H new ATOM 805 N ARG A 55 7.996 -1.163 9.804 1.00 0.44 N ATOM 806 CA ARG A 55 8.179 -2.608 9.766 1.00 0.51 C ATOM 807 C ARG A 55 9.363 -3.030 8.888 1.00 0.56 C ATOM 808 O ARG A 55 10.137 -3.897 9.274 1.00 0.64 O ATOM 809 CB ARG A 55 6.881 -3.288 9.298 1.00 0.60 C ATOM 810 CG ARG A 55 6.971 -4.793 9.120 1.00 0.77 C ATOM 811 CD ARG A 55 5.654 -5.373 8.625 1.00 0.95 C ATOM 812 NE ARG A 55 5.801 -6.778 8.221 1.00 1.51 N ATOM 813 CZ ARG A 55 5.275 -7.299 7.105 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.342 -6.635 6.437 1.00 1.87 N ATOM 815 NH2 ARG A 55 5.626 -8.520 6.696 1.00 2.88 N ATOM 0 H ARG A 55 7.116 -0.852 9.392 1.00 0.44 H new ATOM 0 HA ARG A 55 8.414 -2.935 10.779 1.00 0.51 H new ATOM 0 HB2 ARG A 55 6.094 -3.069 10.020 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.577 -2.843 8.350 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.764 -5.030 8.411 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.241 -5.258 10.068 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.903 -5.296 9.412 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.292 -4.787 7.780 1.00 0.95 H new ATOM 0 HE ARG A 55 6.338 -7.396 8.829 1.00 1.51 H new ATOM 0 HH11 ARG A 55 4.024 -5.726 6.773 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.942 -7.033 5.587 1.00 1.87 H new ATOM 0 HH21 ARG A 55 6.300 -9.064 7.235 1.00 2.88 H new ATOM 0 HH22 ARG A 55 5.220 -8.909 5.845 1.00 2.88 H new ATOM 829 N TYR A 56 9.518 -2.414 7.738 1.00 0.56 N ATOM 830 CA TYR A 56 10.581 -2.816 6.824 1.00 0.67 C ATOM 831 C TYR A 56 11.857 -2.018 6.982 1.00 0.70 C ATOM 832 O TYR A 56 12.930 -2.495 6.625 1.00 0.86 O ATOM 833 CB TYR A 56 10.105 -2.786 5.379 1.00 0.75 C ATOM 834 CG TYR A 56 9.187 -3.926 5.036 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.672 -5.128 4.548 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.820 -3.781 5.187 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.814 -6.156 4.225 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.958 -4.791 4.867 1.00 0.96 C ATOM 839 CZ TYR A 56 7.547 -6.065 4.421 1.00 1.17 C ATOM 840 OH TYR A 56 6.568 -6.965 4.047 1.00 1.33 O ATOM 0 H TYR A 56 8.935 -1.644 7.410 1.00 0.56 H new ATOM 0 HA TYR A 56 10.829 -3.842 7.096 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.590 -1.844 5.192 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.971 -2.813 4.717 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.736 -5.261 4.419 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.426 -2.850 5.566 1.00 0.82 H new ATOM 0 HE1 TYR A 56 9.216 -7.062 3.796 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.888 -4.661 4.938 1.00 0.96 H new ATOM 0 HH TYR A 56 5.684 -6.575 4.214 1.00 1.33 H new ATOM 850 N GLY A 57 11.766 -0.853 7.556 1.00 0.61 N ATOM 851 CA GLY A 57 12.939 -0.018 7.689 1.00 0.68 C ATOM 852 C GLY A 57 13.126 0.831 6.454 1.00 0.72 C ATOM 853 O GLY A 57 14.238 0.975 5.927 1.00 0.91 O ATOM 0 H GLY A 57 10.906 -0.458 7.937 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.840 0.622 8.566 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.820 -0.640 7.847 1.00 0.68 H new ATOM 857 N VAL A 58 12.036 1.392 5.984 1.00 0.62 N ATOM 858 CA VAL A 58 12.040 2.213 4.792 1.00 0.65 C ATOM 859 C VAL A 58 11.422 3.559 5.091 1.00 0.57 C ATOM 860 O VAL A 58 10.885 3.759 6.171 1.00 0.50 O ATOM 861 CB VAL A 58 11.320 1.554 3.566 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.980 0.250 3.178 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.835 1.331 3.835 1.00 0.57 C ATOM 0 H VAL A 58 11.118 1.293 6.418 1.00 0.62 H new ATOM 0 HA VAL A 58 13.085 2.329 4.505 1.00 0.65 H new ATOM 0 HB VAL A 58 11.412 2.251 2.733 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.458 -0.182 2.325 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.021 0.434 2.911 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.938 -0.443 4.018 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.372 0.873 2.961 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.716 0.673 4.696 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.355 2.288 4.040 1.00 0.57 H new ATOM 873 N SER A 59 11.488 4.459 4.151 1.00 0.63 N ATOM 874 CA SER A 59 10.886 5.765 4.280 1.00 0.63 C ATOM 875 C SER A 59 10.269 6.097 2.929 1.00 0.62 C ATOM 876 O SER A 59 10.966 6.087 1.915 1.00 0.73 O ATOM 877 CB SER A 59 11.957 6.815 4.649 1.00 0.83 C ATOM 878 OG SER A 59 12.688 6.444 5.838 1.00 1.41 O ATOM 0 H SER A 59 11.965 4.309 3.262 1.00 0.63 H new ATOM 0 HA SER A 59 10.133 5.772 5.068 1.00 0.63 H new ATOM 0 HB2 SER A 59 12.652 6.932 3.817 1.00 0.83 H new ATOM 0 HB3 SER A 59 11.479 7.782 4.804 1.00 0.83 H new ATOM 0 HG SER A 59 13.357 7.131 6.039 1.00 1.41 H new ATOM 884 N ILE A 60 8.976 6.305 2.899 1.00 0.52 N ATOM 885 CA ILE A 60 8.289 6.583 1.658 1.00 0.53 C ATOM 886 C ILE A 60 8.121 8.090 1.490 1.00 0.59 C ATOM 887 O ILE A 60 7.450 8.733 2.295 1.00 0.67 O ATOM 888 CB ILE A 60 6.905 5.880 1.601 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.080 4.367 1.825 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.227 6.145 0.252 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.782 3.589 1.864 1.00 0.55 C ATOM 0 H ILE A 60 8.374 6.287 3.722 1.00 0.52 H new ATOM 0 HA ILE A 60 8.893 6.189 0.841 1.00 0.53 H new ATOM 0 HB ILE A 60 6.270 6.284 2.389 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.708 3.964 1.030 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.613 4.210 2.763 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.258 5.646 0.227 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.086 7.218 0.120 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.854 5.760 -0.552 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.996 2.532 2.025 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.159 3.961 2.677 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.255 3.712 0.918 1.00 0.55 H new ATOM 903 N PRO A 61 8.784 8.682 0.489 1.00 0.62 N ATOM 904 CA PRO A 61 8.686 10.117 0.210 1.00 0.71 C ATOM 905 C PRO A 61 7.288 10.531 -0.279 1.00 0.65 C ATOM 906 O PRO A 61 6.567 9.730 -0.913 1.00 0.57 O ATOM 907 CB PRO A 61 9.733 10.344 -0.893 1.00 0.78 C ATOM 908 CG PRO A 61 10.609 9.147 -0.836 1.00 0.77 C ATOM 909 CD PRO A 61 9.719 8.020 -0.431 1.00 0.64 C ATOM 0 HA PRO A 61 8.857 10.714 1.106 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.262 10.443 -1.871 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.300 11.258 -0.718 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.072 8.953 -1.804 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.417 9.286 -0.118 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.206 7.578 -1.285 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.273 7.218 0.058 1.00 0.64 H new ATOM 917 N ASP A 62 6.940 11.784 -0.007 1.00 0.75 N ATOM 918 CA ASP A 62 5.628 12.381 -0.341 1.00 0.78 C ATOM 919 C ASP A 62 5.317 12.272 -1.821 1.00 0.68 C ATOM 920 O ASP A 62 4.183 11.954 -2.211 1.00 0.67 O ATOM 921 CB ASP A 62 5.564 13.877 0.060 1.00 0.99 C ATOM 922 CG ASP A 62 5.542 14.146 1.554 1.00 1.34 C ATOM 923 OD1 ASP A 62 6.612 14.102 2.206 1.00 1.88 O ATOM 924 OD2 ASP A 62 4.468 14.456 2.104 1.00 2.03 O ATOM 0 H ASP A 62 7.568 12.437 0.462 1.00 0.75 H new ATOM 0 HA ASP A 62 4.889 11.816 0.227 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.423 14.390 -0.373 1.00 0.99 H new ATOM 0 HB3 ASP A 62 4.672 14.318 -0.385 1.00 0.99 H new ATOM 929 N ASP A 63 6.323 12.489 -2.649 1.00 0.67 N ATOM 930 CA ASP A 63 6.135 12.479 -4.109 1.00 0.67 C ATOM 931 C ASP A 63 5.921 11.061 -4.608 1.00 0.58 C ATOM 932 O ASP A 63 5.342 10.844 -5.664 1.00 0.60 O ATOM 933 CB ASP A 63 7.335 13.107 -4.851 1.00 0.85 C ATOM 934 CG ASP A 63 8.544 12.191 -4.979 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.264 11.978 -3.985 1.00 1.95 O ATOM 936 OD2 ASP A 63 8.783 11.671 -6.092 1.00 2.23 O ATOM 0 H ASP A 63 7.280 12.675 -2.348 1.00 0.67 H new ATOM 0 HA ASP A 63 5.251 13.081 -4.320 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.014 13.406 -5.849 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.636 14.015 -4.328 1.00 0.85 H new ATOM 941 N VAL A 64 6.397 10.105 -3.856 1.00 0.60 N ATOM 942 CA VAL A 64 6.214 8.722 -4.190 1.00 0.64 C ATOM 943 C VAL A 64 4.832 8.265 -3.737 1.00 0.60 C ATOM 944 O VAL A 64 4.045 7.769 -4.532 1.00 0.58 O ATOM 945 CB VAL A 64 7.292 7.836 -3.553 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.046 6.397 -3.934 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.674 8.270 -4.010 1.00 0.98 C ATOM 0 H VAL A 64 6.922 10.265 -2.996 1.00 0.60 H new ATOM 0 HA VAL A 64 6.301 8.623 -5.272 1.00 0.64 H new ATOM 0 HB VAL A 64 7.243 7.937 -2.469 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.811 5.765 -3.482 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.063 6.089 -3.577 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.086 6.296 -5.019 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.427 7.631 -3.549 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.742 8.186 -5.095 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.846 9.305 -3.715 1.00 0.98 H new ATOM 957 N ALA A 65 4.540 8.456 -2.463 1.00 0.72 N ATOM 958 CA ALA A 65 3.258 8.045 -1.884 1.00 0.85 C ATOM 959 C ALA A 65 2.087 8.725 -2.596 1.00 0.80 C ATOM 960 O ALA A 65 1.021 8.146 -2.758 1.00 0.90 O ATOM 961 CB ALA A 65 3.227 8.354 -0.394 1.00 1.09 C ATOM 0 H ALA A 65 5.175 8.897 -1.798 1.00 0.72 H new ATOM 0 HA ALA A 65 3.155 6.969 -2.021 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.269 8.043 0.022 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.032 7.815 0.106 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.358 9.425 -0.242 1.00 1.09 H new ATOM 967 N GLY A 66 2.315 9.938 -3.051 1.00 0.73 N ATOM 968 CA GLY A 66 1.293 10.660 -3.750 1.00 0.81 C ATOM 969 C GLY A 66 1.178 10.282 -5.221 1.00 0.73 C ATOM 970 O GLY A 66 0.201 10.648 -5.871 1.00 0.92 O ATOM 0 H GLY A 66 3.198 10.437 -2.946 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.335 10.482 -3.262 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.496 11.728 -3.673 1.00 0.81 H new ATOM 974 N ARG A 67 2.155 9.553 -5.756 1.00 0.56 N ATOM 975 CA ARG A 67 2.121 9.201 -7.184 1.00 0.61 C ATOM 976 C ARG A 67 1.625 7.776 -7.399 1.00 0.58 C ATOM 977 O ARG A 67 1.320 7.390 -8.524 1.00 0.79 O ATOM 978 CB ARG A 67 3.496 9.343 -7.861 1.00 0.63 C ATOM 979 CG ARG A 67 4.498 8.262 -7.472 1.00 0.57 C ATOM 980 CD ARG A 67 5.766 8.335 -8.283 1.00 0.87 C ATOM 981 NE ARG A 67 6.521 9.564 -8.064 1.00 1.64 N ATOM 982 CZ ARG A 67 7.404 10.061 -8.937 1.00 2.30 C ATOM 983 NH1 ARG A 67 7.504 9.544 -10.159 1.00 2.40 N ATOM 984 NH2 ARG A 67 8.185 11.065 -8.591 1.00 3.30 N ATOM 0 H ARG A 67 2.963 9.200 -5.243 1.00 0.56 H new ATOM 0 HA ARG A 67 1.429 9.908 -7.641 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.360 9.324 -8.942 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.914 10.318 -7.609 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.741 8.359 -6.414 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.041 7.282 -7.605 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.396 7.481 -8.036 1.00 0.87 H new ATOM 0 HD3 ARG A 67 5.518 8.253 -9.341 1.00 0.87 H new ATOM 0 HE ARG A 67 6.366 10.074 -7.194 1.00 1.64 H new ATOM 0 HH11 ARG A 67 6.906 8.765 -10.434 1.00 2.40 H new ATOM 0 HH12 ARG A 67 8.179 9.927 -10.821 1.00 2.40 H new ATOM 0 HH21 ARG A 67 8.117 11.465 -7.655 1.00 3.30 H new ATOM 0 HH22 ARG A 67 8.857 11.442 -9.259 1.00 3.30 H new ATOM 998 N VAL A 68 1.568 6.993 -6.336 1.00 0.45 N ATOM 999 CA VAL A 68 1.183 5.598 -6.459 1.00 0.45 C ATOM 1000 C VAL A 68 -0.333 5.450 -6.466 1.00 0.46 C ATOM 1001 O VAL A 68 -1.019 5.659 -5.466 1.00 0.53 O ATOM 1002 CB VAL A 68 1.867 4.673 -5.389 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.366 4.641 -5.610 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.578 5.105 -3.958 1.00 0.85 C ATOM 0 H VAL A 68 1.781 7.296 -5.386 1.00 0.45 H new ATOM 0 HA VAL A 68 1.556 5.250 -7.422 1.00 0.45 H new ATOM 0 HB VAL A 68 1.442 3.678 -5.521 1.00 0.53 H new ATOM 0 HG11 VAL A 68 3.830 3.997 -4.863 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.579 4.253 -6.606 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.769 5.650 -5.520 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.078 4.427 -3.265 1.00 0.85 H new ATOM 0 HG22 VAL A 68 1.946 6.119 -3.803 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.503 5.078 -3.780 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.858 5.208 -7.639 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.295 5.075 -7.805 1.00 0.53 C ATOM 1016 C ASP A 69 -2.729 3.638 -7.765 1.00 0.42 C ATOM 1017 O ASP A 69 -3.891 3.338 -7.491 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.787 5.754 -9.072 1.00 0.71 C ATOM 1019 CG ASP A 69 -2.567 7.241 -9.055 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -3.108 7.929 -8.158 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -1.874 7.767 -9.950 1.00 2.04 O ATOM 0 H ASP A 69 -0.318 5.098 -8.497 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.755 5.586 -6.959 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.274 5.325 -9.932 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.850 5.549 -9.200 1.00 0.71 H new ATOM 1026 N THR A 70 -1.809 2.756 -8.045 1.00 0.35 N ATOM 1027 CA THR A 70 -2.057 1.349 -7.962 1.00 0.29 C ATOM 1028 C THR A 70 -1.087 0.738 -6.948 1.00 0.26 C ATOM 1029 O THR A 70 0.067 1.203 -6.825 1.00 0.29 O ATOM 1030 CB THR A 70 -1.921 0.651 -9.347 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.681 1.002 -9.961 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.065 1.029 -10.272 1.00 0.39 C ATOM 0 H THR A 70 -0.862 2.998 -8.338 1.00 0.35 H new ATOM 0 HA THR A 70 -3.085 1.193 -7.634 1.00 0.29 H new ATOM 0 HB THR A 70 -1.953 -0.425 -9.176 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.229 0.190 -10.273 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.940 0.525 -11.230 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.011 0.726 -9.823 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.066 2.108 -10.427 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.532 -0.281 -6.180 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.704 -0.941 -5.160 1.00 0.31 C ATOM 1042 C PRO A 71 0.588 -1.504 -5.739 1.00 0.32 C ATOM 1043 O PRO A 71 1.604 -1.559 -5.059 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.597 -2.076 -4.657 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.978 -1.616 -4.942 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.889 -0.852 -6.224 1.00 0.30 C ATOM 0 HA PRO A 71 -0.391 -0.247 -4.380 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.376 -3.012 -5.170 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.450 -2.254 -3.592 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.661 -2.460 -5.035 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.356 -0.987 -4.136 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.026 -1.500 -7.090 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.651 -0.075 -6.284 1.00 0.30 H new ATOM 1054 N ARG A 72 0.522 -1.918 -6.995 1.00 0.32 N ATOM 1055 CA ARG A 72 1.661 -2.449 -7.738 1.00 0.38 C ATOM 1056 C ARG A 72 2.861 -1.494 -7.683 1.00 0.35 C ATOM 1057 O ARG A 72 3.980 -1.896 -7.386 1.00 0.36 O ATOM 1058 CB ARG A 72 1.246 -2.652 -9.177 1.00 0.45 C ATOM 1059 CG ARG A 72 2.275 -3.334 -10.056 1.00 0.88 C ATOM 1060 CD ARG A 72 1.783 -3.342 -11.476 1.00 0.81 C ATOM 1061 NE ARG A 72 1.559 -1.977 -11.910 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.555 -1.539 -12.678 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.351 -2.384 -13.161 1.00 1.48 N ATOM 1064 NH2 ARG A 72 0.457 -0.246 -12.944 1.00 1.55 N ATOM 0 H ARG A 72 -0.340 -1.895 -7.539 1.00 0.32 H new ATOM 0 HA ARG A 72 1.964 -3.394 -7.286 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.329 -3.241 -9.194 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.008 -1.680 -9.610 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.229 -2.811 -9.992 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.446 -4.354 -9.712 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.513 -3.827 -12.124 1.00 0.81 H new ATOM 0 HD3 ARG A 72 0.860 -3.916 -11.550 1.00 0.81 H new ATOM 0 HE ARG A 72 2.235 -1.280 -11.598 1.00 0.86 H new ATOM 0 HH11 ARG A 72 -0.285 -3.379 -12.947 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.112 -2.037 -13.745 1.00 1.48 H new ATOM 0 HH21 ARG A 72 1.143 0.406 -12.564 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -0.305 0.098 -13.529 1.00 1.55 H new ATOM 1078 N GLU A 73 2.600 -0.230 -7.939 1.00 0.34 N ATOM 1079 CA GLU A 73 3.642 0.786 -7.983 1.00 0.36 C ATOM 1080 C GLU A 73 4.221 1.025 -6.584 1.00 0.32 C ATOM 1081 O GLU A 73 5.410 1.332 -6.425 1.00 0.35 O ATOM 1082 CB GLU A 73 3.073 2.074 -8.558 1.00 0.42 C ATOM 1083 CG GLU A 73 2.277 1.871 -9.845 1.00 0.60 C ATOM 1084 CD GLU A 73 3.064 1.258 -10.977 1.00 1.37 C ATOM 1085 OE1 GLU A 73 3.191 0.014 -11.040 1.00 2.18 O ATOM 1086 OE2 GLU A 73 3.532 2.007 -11.854 1.00 1.78 O ATOM 0 H GLU A 73 1.662 0.127 -8.123 1.00 0.34 H new ATOM 0 HA GLU A 73 4.452 0.439 -8.625 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.429 2.541 -7.813 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.891 2.768 -8.752 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.418 1.235 -9.630 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.886 2.835 -10.171 1.00 0.60 H new ATOM 1093 N LEU A 74 3.364 0.890 -5.581 1.00 0.31 N ATOM 1094 CA LEU A 74 3.758 1.022 -4.187 1.00 0.32 C ATOM 1095 C LEU A 74 4.654 -0.173 -3.821 1.00 0.30 C ATOM 1096 O LEU A 74 5.696 -0.008 -3.192 1.00 0.31 O ATOM 1097 CB LEU A 74 2.475 1.126 -3.295 1.00 0.36 C ATOM 1098 CG LEU A 74 2.624 1.457 -1.781 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.160 0.285 -0.977 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.499 2.690 -1.577 1.00 0.44 C ATOM 0 H LEU A 74 2.373 0.685 -5.713 1.00 0.31 H new ATOM 0 HA LEU A 74 4.334 1.931 -4.016 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.831 1.888 -3.735 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.945 0.177 -3.372 1.00 0.36 H new ATOM 0 HG LEU A 74 1.622 1.669 -1.408 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.244 0.571 0.071 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.479 -0.561 -1.069 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.142 0.003 -1.356 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.588 2.901 -0.511 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.489 2.507 -1.994 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.046 3.545 -2.079 1.00 0.44 H new ATOM 1112 N LEU A 75 4.235 -1.358 -4.269 1.00 0.29 N ATOM 1113 CA LEU A 75 4.976 -2.615 -4.103 1.00 0.30 C ATOM 1114 C LEU A 75 6.385 -2.439 -4.661 1.00 0.29 C ATOM 1115 O LEU A 75 7.380 -2.766 -4.007 1.00 0.30 O ATOM 1116 CB LEU A 75 4.244 -3.727 -4.882 1.00 0.33 C ATOM 1117 CG LEU A 75 4.861 -5.126 -4.872 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.780 -5.748 -3.498 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.183 -6.009 -5.901 1.00 0.45 C ATOM 0 H LEU A 75 3.353 -1.476 -4.768 1.00 0.29 H new ATOM 0 HA LEU A 75 5.036 -2.883 -3.048 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.232 -3.804 -4.485 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.156 -3.407 -5.920 1.00 0.33 H new ATOM 0 HG LEU A 75 5.915 -5.034 -5.134 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.226 -6.742 -3.522 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.319 -5.125 -2.784 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.736 -5.826 -3.195 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.633 -7.002 -5.882 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.121 -6.088 -5.670 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.307 -5.573 -6.892 1.00 0.45 H new ATOM 1131 N ASP A 76 6.437 -1.881 -5.863 1.00 0.31 N ATOM 1132 CA ASP A 76 7.683 -1.570 -6.557 1.00 0.34 C ATOM 1133 C ASP A 76 8.586 -0.660 -5.733 1.00 0.32 C ATOM 1134 O ASP A 76 9.792 -0.910 -5.624 1.00 0.34 O ATOM 1135 CB ASP A 76 7.394 -0.936 -7.919 1.00 0.45 C ATOM 1136 CG ASP A 76 8.640 -0.444 -8.618 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.533 -1.272 -8.952 1.00 0.90 O ATOM 1138 OD2 ASP A 76 8.768 0.777 -8.834 1.00 1.25 O ATOM 0 H ASP A 76 5.603 -1.627 -6.393 1.00 0.31 H new ATOM 0 HA ASP A 76 8.213 -2.511 -6.705 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.892 -1.666 -8.554 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.705 -0.102 -7.786 1.00 0.45 H new ATOM 1143 N LEU A 77 8.010 0.378 -5.142 1.00 0.32 N ATOM 1144 CA LEU A 77 8.782 1.302 -4.324 1.00 0.36 C ATOM 1145 C LEU A 77 9.328 0.596 -3.093 1.00 0.34 C ATOM 1146 O LEU A 77 10.504 0.758 -2.751 1.00 0.40 O ATOM 1147 CB LEU A 77 7.945 2.554 -3.950 1.00 0.41 C ATOM 1148 CG LEU A 77 8.647 3.696 -3.150 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.827 3.382 -1.665 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.982 4.074 -3.794 1.00 1.35 C ATOM 0 H LEU A 77 7.017 0.600 -5.213 1.00 0.32 H new ATOM 0 HA LEU A 77 9.633 1.652 -4.909 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.557 2.984 -4.874 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.086 2.219 -3.369 1.00 0.41 H new ATOM 0 HG LEU A 77 7.975 4.553 -3.197 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.321 4.220 -1.173 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.852 3.217 -1.207 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.437 2.485 -1.554 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.451 4.872 -3.218 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.638 3.204 -3.809 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.810 4.417 -4.814 1.00 1.35 H new ATOM 1162 N ILE A 78 8.497 -0.214 -2.462 1.00 0.30 N ATOM 1163 CA ILE A 78 8.898 -0.920 -1.264 1.00 0.32 C ATOM 1164 C ILE A 78 10.022 -1.873 -1.610 1.00 0.33 C ATOM 1165 O ILE A 78 11.083 -1.791 -1.030 1.00 0.39 O ATOM 1166 CB ILE A 78 7.707 -1.695 -0.619 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.575 -0.730 -0.243 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.161 -2.471 0.618 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.974 0.355 0.739 1.00 0.42 C ATOM 0 H ILE A 78 7.539 -0.398 -2.762 1.00 0.30 H new ATOM 0 HA ILE A 78 9.238 -0.190 -0.529 1.00 0.32 H new ATOM 0 HB ILE A 78 7.336 -2.407 -1.357 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.199 -0.260 -1.151 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.752 -1.304 0.183 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.311 -3.001 1.047 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.931 -3.188 0.335 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.565 -1.777 1.355 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.114 0.991 0.948 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.321 -0.102 1.665 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.774 0.958 0.310 1.00 0.42 H new ATOM 1181 N ASN A 79 9.810 -2.707 -2.616 1.00 0.33 N ATOM 1182 CA ASN A 79 10.825 -3.681 -3.056 1.00 0.38 C ATOM 1183 C ASN A 79 12.103 -3.001 -3.517 1.00 0.38 C ATOM 1184 O ASN A 79 13.198 -3.541 -3.347 1.00 0.42 O ATOM 1185 CB ASN A 79 10.281 -4.611 -4.154 1.00 0.46 C ATOM 1186 CG ASN A 79 9.310 -5.631 -3.610 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.422 -6.048 -2.464 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.351 -6.039 -4.401 1.00 0.82 N ATOM 0 H ASN A 79 8.943 -2.737 -3.152 1.00 0.33 H new ATOM 0 HA ASN A 79 11.068 -4.291 -2.186 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.787 -4.014 -4.921 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.112 -5.125 -4.637 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.671 -6.722 -4.068 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.283 -5.674 -5.351 1.00 0.82 H new ATOM 1195 N GLY A 80 11.965 -1.809 -4.071 1.00 0.38 N ATOM 1196 CA GLY A 80 13.116 -1.040 -4.480 1.00 0.46 C ATOM 1197 C GLY A 80 13.913 -0.574 -3.284 1.00 0.50 C ATOM 1198 O GLY A 80 15.130 -0.734 -3.231 1.00 0.62 O ATOM 0 H GLY A 80 11.067 -1.358 -4.246 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.749 -1.645 -5.129 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.792 -0.178 -5.063 1.00 0.46 H new ATOM 1202 N ALA A 81 13.215 -0.058 -2.292 1.00 0.47 N ATOM 1203 CA ALA A 81 13.846 0.434 -1.078 1.00 0.57 C ATOM 1204 C ALA A 81 14.359 -0.725 -0.223 1.00 0.62 C ATOM 1205 O ALA A 81 15.298 -0.570 0.552 1.00 0.80 O ATOM 1206 CB ALA A 81 12.877 1.302 -0.289 1.00 0.59 C ATOM 0 H ALA A 81 12.199 0.033 -2.302 1.00 0.47 H new ATOM 0 HA ALA A 81 14.702 1.046 -1.361 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.365 1.662 0.617 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.571 2.152 -0.899 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.999 0.715 -0.019 1.00 0.59 H new ATOM 1212 N LEU A 82 13.755 -1.890 -0.382 1.00 0.54 N ATOM 1213 CA LEU A 82 14.160 -3.092 0.347 1.00 0.61 C ATOM 1214 C LEU A 82 15.492 -3.638 -0.140 1.00 0.74 C ATOM 1215 O LEU A 82 16.099 -4.489 0.509 1.00 0.89 O ATOM 1216 CB LEU A 82 13.075 -4.164 0.299 1.00 0.54 C ATOM 1217 CG LEU A 82 11.774 -3.795 1.002 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.760 -4.903 0.890 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.029 -3.441 2.446 1.00 0.68 C ATOM 0 H LEU A 82 12.971 -2.035 -1.018 1.00 0.54 H new ATOM 0 HA LEU A 82 14.296 -2.798 1.388 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.855 -4.391 -0.744 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.467 -5.077 0.748 1.00 0.54 H new ATOM 0 HG LEU A 82 11.361 -2.918 0.504 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.843 -4.610 1.401 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.544 -5.094 -0.161 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.158 -5.808 1.349 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.087 -3.181 2.929 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.475 -4.295 2.957 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.710 -2.591 2.498 1.00 0.68 H new ATOM 1231 N ALA A 83 15.925 -3.186 -1.304 1.00 0.83 N ATOM 1232 CA ALA A 83 17.258 -3.497 -1.782 1.00 1.07 C ATOM 1233 C ALA A 83 18.283 -2.794 -0.883 1.00 1.28 C ATOM 1234 O ALA A 83 19.385 -3.297 -0.638 1.00 1.46 O ATOM 1235 CB ALA A 83 17.424 -3.082 -3.230 1.00 1.27 C ATOM 0 H ALA A 83 15.373 -2.604 -1.934 1.00 0.83 H new ATOM 0 HA ALA A 83 17.419 -4.574 -1.737 1.00 1.07 H new ATOM 0 HB1 ALA A 83 18.432 -3.326 -3.565 1.00 1.27 H new ATOM 0 HB2 ALA A 83 16.698 -3.613 -3.846 1.00 1.27 H new ATOM 0 HB3 ALA A 83 17.261 -2.008 -3.322 1.00 1.27 H new ATOM 1241 N GLU A 84 17.886 -1.633 -0.383 1.00 1.34 N ATOM 1242 CA GLU A 84 18.696 -0.841 0.524 1.00 1.64 C ATOM 1243 C GLU A 84 18.495 -1.343 1.947 1.00 1.75 C ATOM 1244 O GLU A 84 19.456 -1.472 2.723 1.00 2.12 O ATOM 1245 CB GLU A 84 18.281 0.630 0.446 1.00 1.67 C ATOM 1246 CG GLU A 84 18.450 1.261 -0.921 1.00 1.99 C ATOM 1247 CD GLU A 84 19.884 1.282 -1.362 1.00 2.14 C ATOM 1248 OE1 GLU A 84 20.681 2.069 -0.793 1.00 2.25 O ATOM 1249 OE2 GLU A 84 20.240 0.547 -2.293 1.00 2.82 O ATOM 0 H GLU A 84 16.982 -1.212 -0.599 1.00 1.34 H new ATOM 0 HA GLU A 84 19.745 -0.934 0.242 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.236 0.716 0.745 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.867 1.198 1.169 1.00 1.67 H new ATOM 0 HG2 GLU A 84 17.856 0.710 -1.650 1.00 1.99 H new ATOM 0 HG3 GLU A 84 18.063 2.280 -0.899 1.00 1.99 H new ATOM 1256 N ALA A 85 17.239 -1.613 2.282 1.00 1.60 N ATOM 1257 CA ALA A 85 16.867 -2.113 3.590 1.00 1.87 C ATOM 1258 C ALA A 85 17.311 -3.550 3.759 1.00 2.41 C ATOM 1259 O ALA A 85 16.645 -4.483 3.319 1.00 2.97 O ATOM 1260 CB ALA A 85 15.368 -1.971 3.825 1.00 2.27 C ATOM 0 H ALA A 85 16.450 -1.489 1.648 1.00 1.60 H new ATOM 0 HA ALA A 85 17.378 -1.510 4.341 1.00 1.87 H new ATOM 0 HB1 ALA A 85 15.117 -2.354 4.814 1.00 2.27 H new ATOM 0 HB2 ALA A 85 15.088 -0.920 3.761 1.00 2.27 H new ATOM 0 HB3 ALA A 85 14.826 -2.538 3.068 1.00 2.27 H new ATOM 1266 N ALA A 86 18.447 -3.708 4.344 1.00 2.92 N ATOM 1267 CA ALA A 86 19.034 -4.987 4.572 1.00 3.83 C ATOM 1268 C ALA A 86 19.731 -4.929 5.891 1.00 4.59 C ATOM 1269 O ALA A 86 19.304 -5.614 6.832 1.00 5.16 O ATOM 1270 CB ALA A 86 20.011 -5.342 3.455 1.00 4.34 C ATOM 1271 OXT ALA A 86 20.659 -4.107 6.028 1.00 4.98 O ATOM 0 H ALA A 86 19.011 -2.931 4.688 1.00 2.92 H new ATOM 0 HA ALA A 86 18.268 -5.762 4.581 1.00 3.83 H new ATOM 0 HB1 ALA A 86 20.447 -6.322 3.650 1.00 4.34 H new ATOM 0 HB2 ALA A 86 19.482 -5.363 2.502 1.00 4.34 H new ATOM 0 HB3 ALA A 86 20.803 -4.595 3.413 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.065 13.312 1.974 1.00 1.09 P HETATM 1279 O26 SXH A 87 -6.394 14.017 0.621 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.036 13.546 3.152 1.00 1.42 O HETATM 1281 O27 SXH A 87 -4.635 13.750 2.418 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.090 13.211 3.683 1.00 1.13 C HETATM 1283 C29 SXH A 87 -2.665 13.726 3.935 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.175 13.034 5.189 1.00 1.36 C HETATM 1285 C31 SXH A 87 -1.761 13.345 2.752 1.00 1.28 C HETATM 1286 C32 SXH A 87 -2.679 15.315 4.108 1.00 1.57 C HETATM 1287 O33 SXH A 87 -3.270 15.910 2.940 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.256 15.888 4.284 1.00 1.82 C HETATM 1289 O35 SXH A 87 -0.679 16.449 3.334 1.00 2.00 O HETATM 1290 N36 SXH A 87 -0.715 15.770 5.467 1.00 1.99 N HETATM 1291 C37 SXH A 87 0.623 16.256 5.822 1.00 2.29 C HETATM 1292 C38 SXH A 87 1.050 15.827 7.228 1.00 2.49 C HETATM 1293 C39 SXH A 87 1.183 14.314 7.437 1.00 2.41 C HETATM 1294 O40 SXH A 87 0.962 13.803 8.549 1.00 2.91 O HETATM 1295 N41 SXH A 87 1.526 13.601 6.375 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.679 12.149 6.402 1.00 2.36 C HETATM 1297 C43 SXH A 87 1.992 11.564 5.045 1.00 2.13 C HETATM 1298 S1 SXH A 87 3.613 11.956 4.584 1.00 1.95 S HETATM 1299 C1 SXH A 87 3.647 11.229 2.986 1.00 1.93 C HETATM 1300 O1 SXH A 87 4.692 10.842 2.435 1.00 2.69 O HETATM 1301 C2 SXH A 87 2.296 11.149 2.272 1.00 1.85 C HETATM 1302 C3 SXH A 87 2.263 11.938 0.967 1.00 2.13 C HETATM 1303 C4 SXH A 87 0.858 11.992 0.366 1.00 2.00 C HETATM 1304 C5 SXH A 87 0.295 10.607 0.084 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.099 10.729 -0.484 1.00 2.32 C HETATM 0 HO33 SXH A 87 -3.635 15.206 2.364 1.00 1.62 H new HETATM 0 HN41 SXH A 87 1.691 14.090 5.495 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -1.261 15.308 6.194 1.00 1.99 H new HETATM 0 H43A SXH A 87 1.865 10.482 5.070 1.00 2.13 H new HETATM 0 H42A SXH A 87 2.476 11.886 7.098 1.00 2.36 H new HETATM 0 H38A SXH A 87 2.007 16.295 7.458 1.00 2.49 H new HETATM 0 H37A SXH A 87 1.346 15.882 5.097 1.00 2.29 H new HETATM 0 H31B SXH A 87 -1.740 12.260 2.645 1.00 1.28 H new HETATM 0 H31A SXH A 87 -2.151 13.792 1.838 1.00 1.28 H new HETATM 0 H30B SXH A 87 -2.832 13.282 6.022 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.178 11.955 5.034 1.00 1.36 H new HETATM 0 H28A SXH A 87 -4.736 13.498 4.513 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.741 11.240 0.234 1.00 2.32 H new HETATM 0 H6A SXH A 87 -1.065 11.300 -1.412 1.00 2.32 H new HETATM 0 H6 SXH A 87 -1.498 9.735 -0.685 1.00 2.32 H new HETATM 0 H5A SXH A 87 0.939 10.078 -0.619 1.00 2.32 H new HETATM 0 H5 SXH A 87 0.274 10.019 1.002 1.00 2.32 H new HETATM 0 H4A SXH A 87 0.193 12.519 1.050 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.292 11.950 4.304 1.00 2.13 H new HETATM 0 H42 SXH A 87 0.762 11.699 6.783 1.00 2.36 H new HETATM 0 H4 SXH A 87 0.884 12.566 -0.560 1.00 2.00 H new HETATM 0 H3A SXH A 87 2.619 12.952 1.147 1.00 2.13 H new HETATM 0 H38 SXH A 87 0.325 16.214 7.944 1.00 2.49 H new HETATM 0 H37 SXH A 87 0.640 17.344 5.757 1.00 2.29 H new HETATM 0 H32 SXH A 87 -3.256 15.547 5.003 1.00 1.57 H new HETATM 0 H31 SXH A 87 -0.751 13.712 2.933 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.161 13.365 5.415 1.00 1.36 H new HETATM 0 H3 SXH A 87 2.947 11.483 0.251 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.062 10.105 2.065 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.085 12.122 3.646 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.518 11.524 2.936 1.00 1.85 H new