USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 1 MET N :NH3+ -114:sc= 0.42 (180deg=0.0788!) USER MOD Set 1.2: A 56 TYR OH : rot -134:sc= 1.44 USER MOD Set 2.1: A 17 SER OG : rot 174:sc= 1.07 USER MOD Set 2.2: A 40 TYR OH : rot 39:sc= 0.0653! USER MOD Set 2.3: A 48 THR OG1 : rot 83:sc= 2.08 USER MOD Set 3.1: A 1 MET CE :methyl 174:sc=-0.00937 (180deg=0) USER MOD Set 3.2: A 6 THR OG1 : rot -71:sc= 1.19 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0493 USER MOD Single : A 24 THR OG1 : rot -4:sc= 1.14 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -148:sc= 0 (180deg=-1.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 24:sc= 1.12 USER MOD Single : A 70 THR OG1 : rot -160:sc= -1.32 USER MOD Single : A 79 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.685 10.095 -3.087 1.00 5.55 N ATOM 2 CA MET A 1 -6.592 11.110 -3.595 1.00 4.81 C ATOM 3 C MET A 1 -7.696 11.255 -2.595 1.00 4.08 C ATOM 4 O MET A 1 -7.574 10.767 -1.474 1.00 4.33 O ATOM 5 CB MET A 1 -7.177 10.681 -4.948 1.00 5.00 C ATOM 6 CG MET A 1 -6.171 10.544 -6.068 1.00 5.78 C ATOM 7 SD MET A 1 -5.349 12.094 -6.449 1.00 6.34 S ATOM 8 CE MET A 1 -4.308 11.588 -7.812 1.00 6.63 C ATOM 0 H1 MET A 1 -4.768 10.531 -2.861 1.00 5.55 H new ATOM 0 H2 MET A 1 -6.087 9.669 -2.228 1.00 5.55 H new ATOM 0 H3 MET A 1 -5.550 9.358 -3.808 1.00 5.55 H new ATOM 0 HA MET A 1 -6.063 12.052 -3.741 1.00 4.81 H new ATOM 0 HB2 MET A 1 -7.686 9.726 -4.819 1.00 5.00 H new ATOM 0 HB3 MET A 1 -7.933 11.408 -5.246 1.00 5.00 H new ATOM 0 HG2 MET A 1 -5.425 9.799 -5.792 1.00 5.78 H new ATOM 0 HG3 MET A 1 -6.675 10.175 -6.961 1.00 5.78 H new ATOM 0 HE1 MET A 1 -3.810 12.461 -8.233 1.00 6.63 H new ATOM 0 HE2 MET A 1 -3.560 10.880 -7.455 1.00 6.63 H new ATOM 0 HE3 MET A 1 -4.919 11.113 -8.580 1.00 6.63 H new ATOM 20 N ALA A 2 -8.758 11.935 -2.961 1.00 3.63 N ATOM 21 CA ALA A 2 -9.928 12.000 -2.112 1.00 3.34 C ATOM 22 C ALA A 2 -10.770 10.778 -2.414 1.00 2.29 C ATOM 23 O ALA A 2 -11.570 10.327 -1.604 1.00 2.60 O ATOM 24 CB ALA A 2 -10.712 13.278 -2.371 1.00 4.09 C ATOM 0 H ALA A 2 -8.837 12.450 -3.838 1.00 3.63 H new ATOM 0 HA ALA A 2 -9.639 12.013 -1.061 1.00 3.34 H new ATOM 0 HB1 ALA A 2 -11.587 13.306 -1.722 1.00 4.09 H new ATOM 0 HB2 ALA A 2 -10.079 14.141 -2.164 1.00 4.09 H new ATOM 0 HB3 ALA A 2 -11.032 13.304 -3.413 1.00 4.09 H new ATOM 30 N THR A 3 -10.559 10.264 -3.595 1.00 1.66 N ATOM 31 CA THR A 3 -11.181 9.086 -4.077 1.00 1.24 C ATOM 32 C THR A 3 -10.071 8.082 -4.385 1.00 1.06 C ATOM 33 O THR A 3 -9.307 8.281 -5.337 1.00 1.81 O ATOM 34 CB THR A 3 -11.891 9.439 -5.379 1.00 2.06 C ATOM 35 OG1 THR A 3 -12.632 10.677 -5.208 1.00 2.62 O ATOM 36 CG2 THR A 3 -12.840 8.334 -5.809 1.00 2.77 C ATOM 0 H THR A 3 -9.918 10.683 -4.269 1.00 1.66 H new ATOM 0 HA THR A 3 -11.887 8.676 -3.355 1.00 1.24 H new ATOM 0 HB THR A 3 -11.136 9.560 -6.156 1.00 2.06 H new ATOM 0 HG1 THR A 3 -13.087 10.904 -6.046 1.00 2.62 H new ATOM 0 HG21 THR A 3 -13.330 8.617 -6.741 1.00 2.77 H new ATOM 0 HG22 THR A 3 -12.280 7.411 -5.960 1.00 2.77 H new ATOM 0 HG23 THR A 3 -13.592 8.179 -5.036 1.00 2.77 H new ATOM 44 N LEU A 4 -9.938 7.068 -3.537 1.00 0.89 N ATOM 45 CA LEU A 4 -8.944 6.013 -3.687 1.00 0.69 C ATOM 46 C LEU A 4 -7.483 6.482 -3.614 1.00 0.63 C ATOM 47 O LEU A 4 -7.163 7.656 -3.330 1.00 0.87 O ATOM 48 CB LEU A 4 -9.178 5.184 -4.961 1.00 0.83 C ATOM 49 CG LEU A 4 -10.016 3.910 -4.820 1.00 1.14 C ATOM 50 CD1 LEU A 4 -11.386 4.204 -4.239 1.00 1.27 C ATOM 51 CD2 LEU A 4 -10.163 3.235 -6.166 1.00 1.51 C ATOM 0 H LEU A 4 -10.528 6.955 -2.713 1.00 0.89 H new ATOM 0 HA LEU A 4 -9.095 5.380 -2.812 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -9.660 5.826 -5.699 1.00 0.83 H new ATOM 0 HB3 LEU A 4 -8.205 4.906 -5.367 1.00 0.83 H new ATOM 0 HG LEU A 4 -9.495 3.244 -4.132 1.00 1.14 H new ATOM 0 HD11 LEU A 4 -11.952 3.276 -4.154 1.00 1.27 H new ATOM 0 HD12 LEU A 4 -11.274 4.653 -3.252 1.00 1.27 H new ATOM 0 HD13 LEU A 4 -11.918 4.895 -4.893 1.00 1.27 H new ATOM 0 HD21 LEU A 4 -10.760 2.330 -6.056 1.00 1.51 H new ATOM 0 HD22 LEU A 4 -10.657 3.914 -6.861 1.00 1.51 H new ATOM 0 HD23 LEU A 4 -9.177 2.974 -6.552 1.00 1.51 H new ATOM 63 N LEU A 5 -6.613 5.532 -3.845 1.00 0.49 N ATOM 64 CA LEU A 5 -5.192 5.717 -3.831 1.00 0.44 C ATOM 65 C LEU A 5 -4.676 5.509 -5.214 1.00 0.39 C ATOM 66 O LEU A 5 -5.073 4.542 -5.880 1.00 0.42 O ATOM 67 CB LEU A 5 -4.545 4.657 -2.946 1.00 0.47 C ATOM 68 CG LEU A 5 -4.870 4.696 -1.470 1.00 0.53 C ATOM 69 CD1 LEU A 5 -4.370 3.430 -0.816 1.00 0.80 C ATOM 70 CD2 LEU A 5 -4.207 5.900 -0.828 1.00 0.79 C ATOM 0 H LEU A 5 -6.890 4.573 -4.056 1.00 0.49 H new ATOM 0 HA LEU A 5 -4.963 6.716 -3.461 1.00 0.44 H new ATOM 0 HB2 LEU A 5 -4.831 3.677 -3.329 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -3.464 4.739 -3.056 1.00 0.47 H new ATOM 0 HG LEU A 5 -5.949 4.773 -1.338 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -4.602 3.454 0.249 1.00 0.80 H new ATOM 0 HD12 LEU A 5 -4.855 2.568 -1.274 1.00 0.80 H new ATOM 0 HD13 LEU A 5 -3.291 3.353 -0.950 1.00 0.80 H new ATOM 0 HD21 LEU A 5 -4.445 5.922 0.235 1.00 0.79 H new ATOM 0 HD22 LEU A 5 -3.127 5.832 -0.957 1.00 0.79 H new ATOM 0 HD23 LEU A 5 -4.572 6.812 -1.301 1.00 0.79 H new ATOM 82 N THR A 6 -3.852 6.390 -5.667 1.00 0.38 N ATOM 83 CA THR A 6 -3.195 6.215 -6.921 1.00 0.40 C ATOM 84 C THR A 6 -1.777 5.702 -6.670 1.00 0.34 C ATOM 85 O THR A 6 -1.422 5.424 -5.512 1.00 0.30 O ATOM 86 CB THR A 6 -3.165 7.524 -7.730 1.00 0.51 C ATOM 87 OG1 THR A 6 -2.596 8.583 -6.929 1.00 0.56 O ATOM 88 CG2 THR A 6 -4.566 7.906 -8.184 1.00 0.63 C ATOM 0 H THR A 6 -3.613 7.254 -5.180 1.00 0.38 H new ATOM 0 HA THR A 6 -3.751 5.487 -7.512 1.00 0.40 H new ATOM 0 HB THR A 6 -2.547 7.373 -8.615 1.00 0.51 H new ATOM 0 HG1 THR A 6 -3.225 8.830 -6.219 1.00 0.56 H new ATOM 0 HG21 THR A 6 -4.523 8.834 -8.754 1.00 0.63 H new ATOM 0 HG22 THR A 6 -4.974 7.113 -8.811 1.00 0.63 H new ATOM 0 HG23 THR A 6 -5.206 8.045 -7.312 1.00 0.63 H new ATOM 96 N THR A 7 -0.978 5.580 -7.713 1.00 0.37 N ATOM 97 CA THR A 7 0.409 5.165 -7.596 1.00 0.37 C ATOM 98 C THR A 7 1.156 6.139 -6.660 1.00 0.35 C ATOM 99 O THR A 7 1.893 5.725 -5.749 1.00 0.34 O ATOM 100 CB THR A 7 1.059 5.190 -8.989 1.00 0.48 C ATOM 101 OG1 THR A 7 0.119 4.644 -9.941 1.00 0.61 O ATOM 102 CG2 THR A 7 2.328 4.352 -8.999 1.00 0.56 C ATOM 0 H THR A 7 -1.274 5.767 -8.671 1.00 0.37 H new ATOM 0 HA THR A 7 0.461 4.157 -7.185 1.00 0.37 H new ATOM 0 HB THR A 7 1.318 6.216 -9.250 1.00 0.48 H new ATOM 0 HG1 THR A 7 0.517 4.654 -10.836 1.00 0.61 H new ATOM 0 HG21 THR A 7 2.775 4.381 -9.993 1.00 0.56 H new ATOM 0 HG22 THR A 7 3.034 4.752 -8.272 1.00 0.56 H new ATOM 0 HG23 THR A 7 2.085 3.321 -8.740 1.00 0.56 H new ATOM 110 N ASP A 8 0.922 7.430 -6.895 1.00 0.43 N ATOM 111 CA ASP A 8 1.546 8.520 -6.138 1.00 0.50 C ATOM 112 C ASP A 8 1.167 8.436 -4.664 1.00 0.44 C ATOM 113 O ASP A 8 2.010 8.586 -3.779 1.00 0.46 O ATOM 114 CB ASP A 8 1.093 9.872 -6.715 1.00 0.67 C ATOM 115 CG ASP A 8 1.885 11.045 -6.181 1.00 1.08 C ATOM 116 OD1 ASP A 8 2.955 11.376 -6.720 1.00 1.26 O ATOM 117 OD2 ASP A 8 1.445 11.655 -5.177 1.00 1.65 O ATOM 0 H ASP A 8 0.287 7.754 -7.624 1.00 0.43 H new ATOM 0 HA ASP A 8 2.629 8.430 -6.223 1.00 0.50 H new ATOM 0 HB2 ASP A 8 1.184 9.845 -7.801 1.00 0.67 H new ATOM 0 HB3 ASP A 8 0.038 10.021 -6.487 1.00 0.67 H new ATOM 122 N ASP A 9 -0.103 8.149 -4.413 1.00 0.42 N ATOM 123 CA ASP A 9 -0.628 8.039 -3.037 1.00 0.42 C ATOM 124 C ASP A 9 -0.041 6.865 -2.321 1.00 0.40 C ATOM 125 O ASP A 9 0.310 6.953 -1.140 1.00 0.45 O ATOM 126 CB ASP A 9 -2.141 7.865 -3.002 1.00 0.46 C ATOM 127 CG ASP A 9 -2.916 9.034 -3.488 1.00 0.84 C ATOM 128 OD1 ASP A 9 -2.908 10.087 -2.825 1.00 0.86 O ATOM 129 OD2 ASP A 9 -3.640 8.892 -4.506 1.00 1.41 O ATOM 0 H ASP A 9 -0.800 7.986 -5.140 1.00 0.42 H new ATOM 0 HA ASP A 9 -0.350 8.974 -2.550 1.00 0.42 H new ATOM 0 HB2 ASP A 9 -2.406 6.996 -3.604 1.00 0.46 H new ATOM 0 HB3 ASP A 9 -2.443 7.647 -1.978 1.00 0.46 H new ATOM 134 N LEU A 10 0.085 5.766 -3.039 1.00 0.37 N ATOM 135 CA LEU A 10 0.556 4.526 -2.473 1.00 0.36 C ATOM 136 C LEU A 10 1.994 4.702 -2.000 1.00 0.36 C ATOM 137 O LEU A 10 2.384 4.179 -0.957 1.00 0.41 O ATOM 138 CB LEU A 10 0.462 3.415 -3.519 1.00 0.35 C ATOM 139 CG LEU A 10 0.520 1.990 -2.986 1.00 0.37 C ATOM 140 CD1 LEU A 10 -0.702 1.714 -2.116 1.00 0.48 C ATOM 141 CD2 LEU A 10 0.603 0.999 -4.131 1.00 0.37 C ATOM 0 H LEU A 10 -0.138 5.712 -4.033 1.00 0.37 H new ATOM 0 HA LEU A 10 -0.063 4.249 -1.619 1.00 0.36 H new ATOM 0 HB2 LEU A 10 -0.471 3.539 -4.069 1.00 0.35 H new ATOM 0 HB3 LEU A 10 1.273 3.547 -4.235 1.00 0.35 H new ATOM 0 HG LEU A 10 1.416 1.874 -2.376 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.656 0.693 -1.737 1.00 0.48 H new ATOM 0 HD12 LEU A 10 -0.717 2.412 -1.279 1.00 0.48 H new ATOM 0 HD13 LEU A 10 -1.607 1.840 -2.710 1.00 0.48 H new ATOM 0 HD21 LEU A 10 0.644 -0.015 -3.733 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -0.276 1.104 -4.767 1.00 0.37 H new ATOM 0 HD23 LEU A 10 1.501 1.195 -4.717 1.00 0.37 H new ATOM 153 N ARG A 11 2.767 5.450 -2.782 1.00 0.36 N ATOM 154 CA ARG A 11 4.125 5.823 -2.413 1.00 0.38 C ATOM 155 C ARG A 11 4.122 6.532 -1.072 1.00 0.39 C ATOM 156 O ARG A 11 4.815 6.124 -0.146 1.00 0.41 O ATOM 157 CB ARG A 11 4.723 6.754 -3.448 1.00 0.42 C ATOM 158 CG ARG A 11 6.174 7.153 -3.181 1.00 0.52 C ATOM 159 CD ARG A 11 6.609 8.241 -4.138 1.00 0.71 C ATOM 160 NE ARG A 11 6.342 7.863 -5.521 1.00 1.21 N ATOM 161 CZ ARG A 11 5.454 8.480 -6.313 1.00 1.60 C ATOM 162 NH1 ARG A 11 4.832 9.574 -5.886 1.00 1.92 N ATOM 163 NH2 ARG A 11 5.185 7.992 -7.510 1.00 2.46 N ATOM 0 H ARG A 11 2.469 5.813 -3.687 1.00 0.36 H new ATOM 0 HA ARG A 11 4.721 4.912 -2.355 1.00 0.38 H new ATOM 0 HB2 ARG A 11 4.666 6.275 -4.425 1.00 0.42 H new ATOM 0 HB3 ARG A 11 4.115 7.657 -3.500 1.00 0.42 H new ATOM 0 HG2 ARG A 11 6.278 7.501 -2.153 1.00 0.52 H new ATOM 0 HG3 ARG A 11 6.822 6.284 -3.290 1.00 0.52 H new ATOM 0 HD2 ARG A 11 6.084 9.167 -3.903 1.00 0.71 H new ATOM 0 HD3 ARG A 11 7.674 8.437 -4.011 1.00 0.71 H new ATOM 0 HE ARG A 11 6.865 7.079 -5.911 1.00 1.21 H new ATOM 0 HH11 ARG A 11 5.031 9.943 -4.956 1.00 1.92 H new ATOM 0 HH12 ARG A 11 4.156 10.044 -6.488 1.00 1.92 H new ATOM 0 HH21 ARG A 11 5.653 7.145 -7.832 1.00 2.46 H new ATOM 0 HH22 ARG A 11 4.509 8.462 -8.112 1.00 2.46 H new ATOM 177 N ARG A 12 3.303 7.600 -0.978 1.00 0.42 N ATOM 178 CA ARG A 12 3.230 8.426 0.229 1.00 0.47 C ATOM 179 C ARG A 12 2.860 7.595 1.448 1.00 0.43 C ATOM 180 O ARG A 12 3.358 7.848 2.539 1.00 0.48 O ATOM 181 CB ARG A 12 2.249 9.612 0.082 1.00 0.60 C ATOM 182 CG ARG A 12 2.266 10.561 1.290 1.00 1.18 C ATOM 183 CD ARG A 12 3.590 11.319 1.381 1.00 1.47 C ATOM 184 NE ARG A 12 3.887 11.801 2.744 1.00 2.25 N ATOM 185 CZ ARG A 12 4.617 12.886 3.048 1.00 2.83 C ATOM 186 NH1 ARG A 12 4.800 13.848 2.151 1.00 2.60 N ATOM 187 NH2 ARG A 12 5.069 13.039 4.281 1.00 3.93 N ATOM 0 H ARG A 12 2.684 7.905 -1.729 1.00 0.42 H new ATOM 0 HA ARG A 12 4.228 8.840 0.371 1.00 0.47 H new ATOM 0 HB2 ARG A 12 2.500 10.174 -0.818 1.00 0.60 H new ATOM 0 HB3 ARG A 12 1.239 9.226 -0.055 1.00 0.60 H new ATOM 0 HG2 ARG A 12 1.443 11.271 1.209 1.00 1.18 H new ATOM 0 HG3 ARG A 12 2.107 9.991 2.205 1.00 1.18 H new ATOM 0 HD2 ARG A 12 4.398 10.668 1.048 1.00 1.47 H new ATOM 0 HD3 ARG A 12 3.563 12.169 0.699 1.00 1.47 H new ATOM 0 HE ARG A 12 3.505 11.263 3.522 1.00 2.25 H new ATOM 0 HH11 ARG A 12 4.385 13.766 1.223 1.00 2.60 H new ATOM 0 HH12 ARG A 12 5.356 14.669 2.390 1.00 2.60 H new ATOM 0 HH21 ARG A 12 4.862 12.336 4.991 1.00 3.93 H new ATOM 0 HH22 ARG A 12 5.625 13.860 4.522 1.00 3.93 H new ATOM 201 N ALA A 13 2.022 6.589 1.247 1.00 0.40 N ATOM 202 CA ALA A 13 1.601 5.718 2.329 1.00 0.42 C ATOM 203 C ALA A 13 2.808 5.014 2.941 1.00 0.41 C ATOM 204 O ALA A 13 3.007 5.069 4.153 1.00 0.50 O ATOM 205 CB ALA A 13 0.582 4.704 1.830 1.00 0.45 C ATOM 0 H ALA A 13 1.620 6.357 0.339 1.00 0.40 H new ATOM 0 HA ALA A 13 1.128 6.324 3.101 1.00 0.42 H new ATOM 0 HB1 ALA A 13 0.277 4.059 2.654 1.00 0.45 H new ATOM 0 HB2 ALA A 13 -0.290 5.227 1.437 1.00 0.45 H new ATOM 0 HB3 ALA A 13 1.028 4.098 1.041 1.00 0.45 H new ATOM 211 N LEU A 14 3.638 4.413 2.091 1.00 0.38 N ATOM 212 CA LEU A 14 4.856 3.740 2.551 1.00 0.46 C ATOM 213 C LEU A 14 5.880 4.726 3.118 1.00 0.54 C ATOM 214 O LEU A 14 6.733 4.350 3.915 1.00 0.69 O ATOM 215 CB LEU A 14 5.489 2.839 1.468 1.00 0.48 C ATOM 216 CG LEU A 14 4.849 1.446 1.254 1.00 0.54 C ATOM 217 CD1 LEU A 14 3.410 1.525 0.787 1.00 1.21 C ATOM 218 CD2 LEU A 14 5.673 0.622 0.288 1.00 1.44 C ATOM 0 H LEU A 14 3.492 4.377 1.082 1.00 0.38 H new ATOM 0 HA LEU A 14 4.543 3.084 3.364 1.00 0.46 H new ATOM 0 HB2 LEU A 14 5.458 3.376 0.520 1.00 0.48 H new ATOM 0 HB3 LEU A 14 6.540 2.695 1.719 1.00 0.48 H new ATOM 0 HG LEU A 14 4.839 0.955 2.227 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.015 0.518 0.654 1.00 1.21 H new ATOM 0 HD12 LEU A 14 2.814 2.053 1.531 1.00 1.21 H new ATOM 0 HD13 LEU A 14 3.364 2.061 -0.161 1.00 1.21 H new ATOM 0 HD21 LEU A 14 5.206 -0.353 0.151 1.00 1.44 H new ATOM 0 HD22 LEU A 14 5.729 1.135 -0.672 1.00 1.44 H new ATOM 0 HD23 LEU A 14 6.678 0.490 0.688 1.00 1.44 H new ATOM 230 N VAL A 15 5.802 5.974 2.696 1.00 0.53 N ATOM 231 CA VAL A 15 6.660 7.021 3.242 1.00 0.63 C ATOM 232 C VAL A 15 6.261 7.284 4.692 1.00 0.66 C ATOM 233 O VAL A 15 7.114 7.386 5.575 1.00 0.80 O ATOM 234 CB VAL A 15 6.541 8.351 2.435 1.00 0.67 C ATOM 235 CG1 VAL A 15 7.410 9.450 3.038 1.00 0.76 C ATOM 236 CG2 VAL A 15 6.919 8.138 0.989 1.00 0.71 C ATOM 0 H VAL A 15 5.154 6.293 1.976 1.00 0.53 H new ATOM 0 HA VAL A 15 7.693 6.678 3.177 1.00 0.63 H new ATOM 0 HB VAL A 15 5.500 8.668 2.488 1.00 0.67 H new ATOM 0 HG11 VAL A 15 7.303 10.362 2.451 1.00 0.76 H new ATOM 0 HG12 VAL A 15 7.096 9.640 4.064 1.00 0.76 H new ATOM 0 HG13 VAL A 15 8.453 9.134 3.030 1.00 0.76 H new ATOM 0 HG21 VAL A 15 6.828 9.079 0.447 1.00 0.71 H new ATOM 0 HG22 VAL A 15 7.948 7.783 0.930 1.00 0.71 H new ATOM 0 HG23 VAL A 15 6.254 7.398 0.544 1.00 0.71 H new ATOM 246 N GLU A 16 4.968 7.398 4.917 1.00 0.62 N ATOM 247 CA GLU A 16 4.419 7.689 6.229 1.00 0.71 C ATOM 248 C GLU A 16 4.724 6.611 7.245 1.00 0.74 C ATOM 249 O GLU A 16 5.124 6.916 8.374 1.00 0.89 O ATOM 250 CB GLU A 16 2.923 7.945 6.141 1.00 0.79 C ATOM 251 CG GLU A 16 2.595 9.163 5.319 1.00 0.87 C ATOM 252 CD GLU A 16 3.252 10.392 5.871 1.00 1.20 C ATOM 253 OE1 GLU A 16 2.662 11.067 6.724 1.00 1.38 O ATOM 254 OE2 GLU A 16 4.371 10.722 5.450 1.00 2.05 O ATOM 0 H GLU A 16 4.261 7.291 4.189 1.00 0.62 H new ATOM 0 HA GLU A 16 4.911 8.595 6.582 1.00 0.71 H new ATOM 0 HB2 GLU A 16 2.433 7.074 5.706 1.00 0.79 H new ATOM 0 HB3 GLU A 16 2.519 8.069 7.146 1.00 0.79 H new ATOM 0 HG2 GLU A 16 2.919 9.007 4.290 1.00 0.87 H new ATOM 0 HG3 GLU A 16 1.515 9.307 5.295 1.00 0.87 H new ATOM 261 N SER A 17 4.555 5.374 6.859 1.00 0.68 N ATOM 262 CA SER A 17 4.794 4.281 7.755 1.00 0.77 C ATOM 263 C SER A 17 6.283 4.072 8.046 1.00 0.89 C ATOM 264 O SER A 17 6.656 3.640 9.146 1.00 1.15 O ATOM 265 CB SER A 17 4.101 3.038 7.235 1.00 0.73 C ATOM 266 OG SER A 17 4.255 2.936 5.834 1.00 1.39 O ATOM 0 H SER A 17 4.251 5.100 5.925 1.00 0.68 H new ATOM 0 HA SER A 17 4.360 4.523 8.725 1.00 0.77 H new ATOM 0 HB2 SER A 17 4.517 2.154 7.718 1.00 0.73 H new ATOM 0 HB3 SER A 17 3.042 3.072 7.489 1.00 0.73 H new ATOM 0 HG SER A 17 3.887 2.081 5.526 1.00 1.39 H new ATOM 272 N ALA A 18 7.125 4.397 7.084 1.00 0.82 N ATOM 273 CA ALA A 18 8.554 4.294 7.273 1.00 1.03 C ATOM 274 C ALA A 18 9.047 5.460 8.112 1.00 1.22 C ATOM 275 O ALA A 18 9.616 5.278 9.202 1.00 1.58 O ATOM 276 CB ALA A 18 9.276 4.260 5.931 1.00 1.03 C ATOM 0 H ALA A 18 6.841 4.734 6.164 1.00 0.82 H new ATOM 0 HA ALA A 18 8.771 3.363 7.796 1.00 1.03 H new ATOM 0 HB1 ALA A 18 10.350 4.182 6.098 1.00 1.03 H new ATOM 0 HB2 ALA A 18 8.935 3.399 5.356 1.00 1.03 H new ATOM 0 HB3 ALA A 18 9.060 5.174 5.378 1.00 1.03 H new ATOM 282 N GLY A 19 8.779 6.643 7.634 1.00 1.23 N ATOM 283 CA GLY A 19 9.216 7.828 8.287 1.00 1.56 C ATOM 284 C GLY A 19 10.407 8.409 7.589 1.00 1.74 C ATOM 285 O GLY A 19 10.412 8.541 6.364 1.00 2.32 O ATOM 0 H GLY A 19 8.249 6.805 6.777 1.00 1.23 H new ATOM 0 HA2 GLY A 19 8.407 8.558 8.305 1.00 1.56 H new ATOM 0 HA3 GLY A 19 9.469 7.606 9.324 1.00 1.56 H new ATOM 289 N GLU A 20 11.434 8.687 8.345 1.00 2.01 N ATOM 290 CA GLU A 20 12.646 9.294 7.819 1.00 2.53 C ATOM 291 C GLU A 20 13.663 8.239 7.405 1.00 2.51 C ATOM 292 O GLU A 20 14.809 8.551 7.124 1.00 3.17 O ATOM 293 CB GLU A 20 13.276 10.267 8.830 1.00 3.47 C ATOM 294 CG GLU A 20 12.514 11.577 9.062 1.00 4.03 C ATOM 295 CD GLU A 20 11.128 11.400 9.627 1.00 4.59 C ATOM 296 OE1 GLU A 20 10.993 10.862 10.744 1.00 4.85 O ATOM 297 OE2 GLU A 20 10.146 11.832 8.989 1.00 5.17 O ATOM 0 H GLU A 20 11.463 8.502 9.348 1.00 2.01 H new ATOM 0 HA GLU A 20 12.357 9.860 6.934 1.00 2.53 H new ATOM 0 HB2 GLU A 20 13.376 9.753 9.786 1.00 3.47 H new ATOM 0 HB3 GLU A 20 14.283 10.510 8.492 1.00 3.47 H new ATOM 0 HG2 GLU A 20 13.092 12.204 9.741 1.00 4.03 H new ATOM 0 HG3 GLU A 20 12.442 12.113 8.116 1.00 4.03 H new ATOM 304 N THR A 21 13.230 7.005 7.315 1.00 2.53 N ATOM 305 CA THR A 21 14.092 5.907 6.922 1.00 3.19 C ATOM 306 C THR A 21 14.121 5.708 5.403 1.00 3.12 C ATOM 307 O THR A 21 14.403 4.613 4.895 1.00 3.48 O ATOM 308 CB THR A 21 13.663 4.630 7.612 1.00 4.10 C ATOM 309 OG1 THR A 21 12.218 4.603 7.712 1.00 4.58 O ATOM 310 CG2 THR A 21 14.304 4.492 8.981 1.00 4.86 C ATOM 0 H THR A 21 12.268 6.729 7.512 1.00 2.53 H new ATOM 0 HA THR A 21 15.105 6.162 7.234 1.00 3.19 H new ATOM 0 HB THR A 21 14.000 3.781 7.017 1.00 4.10 H new ATOM 0 HG1 THR A 21 11.936 3.777 8.157 1.00 4.58 H new ATOM 0 HG21 THR A 21 13.973 3.564 9.446 1.00 4.86 H new ATOM 0 HG22 THR A 21 15.389 4.478 8.875 1.00 4.86 H new ATOM 0 HG23 THR A 21 14.012 5.336 9.606 1.00 4.86 H new ATOM 318 N ASP A 22 13.885 6.801 4.710 1.00 3.06 N ATOM 319 CA ASP A 22 13.905 6.920 3.237 1.00 3.18 C ATOM 320 C ASP A 22 12.779 6.169 2.553 1.00 2.90 C ATOM 321 O ASP A 22 11.943 6.775 1.879 1.00 3.34 O ATOM 322 CB ASP A 22 15.256 6.508 2.609 1.00 3.66 C ATOM 323 CG ASP A 22 16.407 7.398 2.996 1.00 4.04 C ATOM 324 OD1 ASP A 22 16.443 8.567 2.561 1.00 4.50 O ATOM 325 OD2 ASP A 22 17.292 6.959 3.757 1.00 4.28 O ATOM 0 H ASP A 22 13.661 7.685 5.166 1.00 3.06 H new ATOM 0 HA ASP A 22 13.756 7.985 3.061 1.00 3.18 H new ATOM 0 HB2 ASP A 22 15.486 5.484 2.905 1.00 3.66 H new ATOM 0 HB3 ASP A 22 15.157 6.511 1.524 1.00 3.66 H new ATOM 330 N GLY A 23 12.749 4.864 2.733 1.00 2.71 N ATOM 331 CA GLY A 23 11.802 4.032 2.018 1.00 2.74 C ATOM 332 C GLY A 23 12.334 3.721 0.635 1.00 2.39 C ATOM 333 O GLY A 23 11.583 3.364 -0.272 1.00 2.77 O ATOM 0 H GLY A 23 13.368 4.358 3.366 1.00 2.71 H new ATOM 0 HA2 GLY A 23 11.629 3.107 2.568 1.00 2.74 H new ATOM 0 HA3 GLY A 23 10.841 4.541 1.942 1.00 2.74 H new ATOM 337 N THR A 24 13.660 3.851 0.513 1.00 2.07 N ATOM 338 CA THR A 24 14.439 3.689 -0.705 1.00 1.91 C ATOM 339 C THR A 24 14.028 4.715 -1.783 1.00 1.88 C ATOM 340 O THR A 24 13.296 5.676 -1.486 1.00 2.57 O ATOM 341 CB THR A 24 14.439 2.228 -1.257 1.00 2.18 C ATOM 342 OG1 THR A 24 13.146 1.835 -1.749 1.00 2.87 O ATOM 343 CG2 THR A 24 14.883 1.245 -0.184 1.00 2.46 C ATOM 0 H THR A 24 14.246 4.086 1.314 1.00 2.07 H new ATOM 0 HA THR A 24 15.473 3.895 -0.428 1.00 1.91 H new ATOM 0 HB THR A 24 15.144 2.209 -2.088 1.00 2.18 H new ATOM 0 HG1 THR A 24 12.498 2.549 -1.572 1.00 2.87 H new ATOM 0 HG21 THR A 24 14.875 0.234 -0.591 1.00 2.46 H new ATOM 0 HG22 THR A 24 15.891 1.496 0.145 1.00 2.46 H new ATOM 0 HG23 THR A 24 14.201 1.300 0.664 1.00 2.46 H new ATOM 351 N ASP A 25 14.502 4.548 -3.001 1.00 1.70 N ATOM 352 CA ASP A 25 14.074 5.420 -4.068 1.00 1.79 C ATOM 353 C ASP A 25 12.768 4.882 -4.618 1.00 1.40 C ATOM 354 O ASP A 25 12.720 3.837 -5.273 1.00 1.51 O ATOM 355 CB ASP A 25 15.166 5.631 -5.160 1.00 2.34 C ATOM 356 CG ASP A 25 15.567 4.403 -5.952 1.00 2.77 C ATOM 357 OD1 ASP A 25 16.270 3.535 -5.394 1.00 3.17 O ATOM 358 OD2 ASP A 25 15.126 4.243 -7.121 1.00 3.23 O ATOM 0 H ASP A 25 15.172 3.828 -3.271 1.00 1.70 H new ATOM 0 HA ASP A 25 13.909 6.423 -3.674 1.00 1.79 H new ATOM 0 HB2 ASP A 25 14.810 6.388 -5.859 1.00 2.34 H new ATOM 0 HB3 ASP A 25 16.057 6.035 -4.680 1.00 2.34 H new ATOM 363 N LEU A 26 11.698 5.558 -4.284 1.00 1.16 N ATOM 364 CA LEU A 26 10.366 5.062 -4.574 1.00 0.93 C ATOM 365 C LEU A 26 9.634 6.001 -5.527 1.00 0.82 C ATOM 366 O LEU A 26 8.402 5.954 -5.658 1.00 0.80 O ATOM 367 CB LEU A 26 9.606 4.926 -3.243 1.00 0.99 C ATOM 368 CG LEU A 26 8.513 3.866 -3.189 1.00 0.82 C ATOM 369 CD1 LEU A 26 9.134 2.483 -3.336 1.00 0.95 C ATOM 370 CD2 LEU A 26 7.737 3.964 -1.884 1.00 1.03 C ATOM 0 H LEU A 26 11.719 6.460 -3.808 1.00 1.16 H new ATOM 0 HA LEU A 26 10.428 4.091 -5.065 1.00 0.93 H new ATOM 0 HB2 LEU A 26 10.330 4.710 -2.457 1.00 0.99 H new ATOM 0 HB3 LEU A 26 9.157 5.891 -3.006 1.00 0.99 H new ATOM 0 HG LEU A 26 7.817 4.033 -4.011 1.00 0.82 H new ATOM 0 HD11 LEU A 26 8.350 1.726 -3.297 1.00 0.95 H new ATOM 0 HD12 LEU A 26 9.655 2.418 -4.291 1.00 0.95 H new ATOM 0 HD13 LEU A 26 9.842 2.314 -2.525 1.00 0.95 H new ATOM 0 HD21 LEU A 26 6.961 3.199 -1.864 1.00 1.03 H new ATOM 0 HD22 LEU A 26 8.416 3.814 -1.045 1.00 1.03 H new ATOM 0 HD23 LEU A 26 7.277 4.949 -1.807 1.00 1.03 H new ATOM 382 N SER A 27 10.388 6.824 -6.204 1.00 0.90 N ATOM 383 CA SER A 27 9.841 7.767 -7.150 1.00 0.92 C ATOM 384 C SER A 27 9.304 7.043 -8.390 1.00 0.91 C ATOM 385 O SER A 27 9.854 6.018 -8.816 1.00 1.08 O ATOM 386 CB SER A 27 10.914 8.770 -7.530 1.00 1.15 C ATOM 387 OG SER A 27 11.424 9.399 -6.363 1.00 1.46 O ATOM 0 H SER A 27 11.404 6.862 -6.117 1.00 0.90 H new ATOM 0 HA SER A 27 9.005 8.295 -6.691 1.00 0.92 H new ATOM 0 HB2 SER A 27 11.720 8.268 -8.065 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.501 9.519 -8.206 1.00 1.15 H new ATOM 0 HG SER A 27 12.117 10.044 -6.615 1.00 1.46 H new ATOM 393 N GLY A 28 8.223 7.551 -8.926 1.00 0.93 N ATOM 394 CA GLY A 28 7.619 6.964 -10.096 1.00 0.99 C ATOM 395 C GLY A 28 6.736 5.810 -9.718 1.00 0.85 C ATOM 396 O GLY A 28 6.243 5.748 -8.576 1.00 1.02 O ATOM 0 H GLY A 28 7.740 8.375 -8.568 1.00 0.93 H new ATOM 0 HA2 GLY A 28 7.035 7.717 -10.626 1.00 0.99 H new ATOM 0 HA3 GLY A 28 8.396 6.624 -10.780 1.00 0.99 H new ATOM 400 N ASP A 29 6.512 4.914 -10.634 1.00 0.70 N ATOM 401 CA ASP A 29 5.726 3.738 -10.343 1.00 0.64 C ATOM 402 C ASP A 29 6.634 2.687 -9.759 1.00 0.55 C ATOM 403 O ASP A 29 7.756 2.487 -10.231 1.00 0.74 O ATOM 404 CB ASP A 29 4.968 3.196 -11.581 1.00 0.80 C ATOM 405 CG ASP A 29 5.860 2.630 -12.671 1.00 1.29 C ATOM 406 OD1 ASP A 29 6.512 3.410 -13.393 1.00 1.68 O ATOM 407 OD2 ASP A 29 5.950 1.399 -12.800 1.00 2.07 O ATOM 0 H ASP A 29 6.860 4.970 -11.591 1.00 0.70 H new ATOM 0 HA ASP A 29 4.954 4.011 -9.624 1.00 0.64 H new ATOM 0 HB2 ASP A 29 4.277 2.419 -11.256 1.00 0.80 H new ATOM 0 HB3 ASP A 29 4.367 4.001 -12.003 1.00 0.80 H new ATOM 412 N PHE A 30 6.181 2.064 -8.704 1.00 0.39 N ATOM 413 CA PHE A 30 6.974 1.074 -8.016 1.00 0.34 C ATOM 414 C PHE A 30 6.191 -0.216 -7.886 1.00 0.31 C ATOM 415 O PHE A 30 6.506 -1.057 -7.070 1.00 0.31 O ATOM 416 CB PHE A 30 7.414 1.607 -6.624 1.00 0.35 C ATOM 417 CG PHE A 30 6.314 1.807 -5.594 1.00 0.33 C ATOM 418 CD1 PHE A 30 5.431 2.874 -5.719 1.00 0.39 C ATOM 419 CD2 PHE A 30 6.156 0.935 -4.526 1.00 0.34 C ATOM 420 CE1 PHE A 30 4.414 3.071 -4.806 1.00 0.44 C ATOM 421 CE2 PHE A 30 5.144 1.127 -3.606 1.00 0.38 C ATOM 422 CZ PHE A 30 4.333 2.149 -3.671 1.00 0.42 C ATOM 0 H PHE A 30 5.259 2.225 -8.298 1.00 0.39 H new ATOM 0 HA PHE A 30 7.874 0.870 -8.596 1.00 0.34 H new ATOM 0 HB2 PHE A 30 8.147 0.915 -6.210 1.00 0.35 H new ATOM 0 HB3 PHE A 30 7.923 2.560 -6.769 1.00 0.35 H new ATOM 0 HD1 PHE A 30 5.543 3.561 -6.545 1.00 0.39 H new ATOM 0 HD2 PHE A 30 6.830 0.099 -4.413 1.00 0.34 H new ATOM 0 HE1 PHE A 30 3.704 3.876 -4.925 1.00 0.44 H new ATOM 0 HE2 PHE A 30 5.019 0.410 -2.808 1.00 0.38 H new ATOM 0 HZ PHE A 30 3.605 2.314 -2.890 1.00 0.42 H new ATOM 432 N LEU A 31 5.184 -0.366 -8.730 1.00 0.31 N ATOM 433 CA LEU A 31 4.297 -1.534 -8.722 1.00 0.31 C ATOM 434 C LEU A 31 5.028 -2.876 -8.812 1.00 0.31 C ATOM 435 O LEU A 31 4.538 -3.878 -8.286 1.00 0.35 O ATOM 436 CB LEU A 31 3.222 -1.464 -9.798 1.00 0.33 C ATOM 437 CG LEU A 31 2.219 -0.313 -9.717 1.00 0.34 C ATOM 438 CD1 LEU A 31 1.072 -0.595 -10.656 1.00 0.39 C ATOM 439 CD2 LEU A 31 1.709 -0.103 -8.296 1.00 0.32 C ATOM 0 H LEU A 31 4.951 0.320 -9.448 1.00 0.31 H new ATOM 0 HA LEU A 31 3.819 -1.490 -7.743 1.00 0.31 H new ATOM 0 HB2 LEU A 31 3.718 -1.411 -10.767 1.00 0.33 H new ATOM 0 HB3 LEU A 31 2.663 -2.400 -9.777 1.00 0.33 H new ATOM 0 HG LEU A 31 2.723 0.608 -10.012 1.00 0.34 H new ATOM 0 HD11 LEU A 31 0.351 0.221 -10.605 1.00 0.39 H new ATOM 0 HD12 LEU A 31 1.449 -0.683 -11.675 1.00 0.39 H new ATOM 0 HD13 LEU A 31 0.586 -1.527 -10.367 1.00 0.39 H new ATOM 0 HD21 LEU A 31 0.999 0.724 -8.283 1.00 0.32 H new ATOM 0 HD22 LEU A 31 1.215 -1.011 -7.949 1.00 0.32 H new ATOM 0 HD23 LEU A 31 2.547 0.128 -7.639 1.00 0.32 H new ATOM 451 N ASP A 32 6.165 -2.902 -9.491 1.00 0.31 N ATOM 452 CA ASP A 32 6.926 -4.147 -9.635 1.00 0.37 C ATOM 453 C ASP A 32 8.020 -4.249 -8.583 1.00 0.37 C ATOM 454 O ASP A 32 8.702 -5.277 -8.471 1.00 0.45 O ATOM 455 CB ASP A 32 7.539 -4.294 -11.038 1.00 0.48 C ATOM 456 CG ASP A 32 8.788 -3.476 -11.268 1.00 1.29 C ATOM 457 OD1 ASP A 32 8.669 -2.274 -11.577 1.00 2.04 O ATOM 458 OD2 ASP A 32 9.904 -3.997 -11.084 1.00 1.83 O ATOM 0 H ASP A 32 6.582 -2.091 -9.947 1.00 0.31 H new ATOM 0 HA ASP A 32 6.216 -4.961 -9.490 1.00 0.37 H new ATOM 0 HB2 ASP A 32 7.772 -5.345 -11.210 1.00 0.48 H new ATOM 0 HB3 ASP A 32 6.792 -4.008 -11.778 1.00 0.48 H new ATOM 463 N LEU A 33 8.206 -3.191 -7.822 1.00 0.35 N ATOM 464 CA LEU A 33 9.161 -3.206 -6.740 1.00 0.37 C ATOM 465 C LEU A 33 8.482 -3.855 -5.572 1.00 0.34 C ATOM 466 O LEU A 33 7.576 -3.277 -4.990 1.00 0.40 O ATOM 467 CB LEU A 33 9.640 -1.788 -6.361 1.00 0.41 C ATOM 468 CG LEU A 33 10.291 -0.951 -7.471 1.00 0.51 C ATOM 469 CD1 LEU A 33 10.803 0.370 -6.918 1.00 1.37 C ATOM 470 CD2 LEU A 33 11.416 -1.712 -8.130 1.00 1.27 C ATOM 0 H LEU A 33 7.706 -2.309 -7.935 1.00 0.35 H new ATOM 0 HA LEU A 33 10.052 -3.755 -7.045 1.00 0.37 H new ATOM 0 HB2 LEU A 33 8.784 -1.233 -5.976 1.00 0.41 H new ATOM 0 HB3 LEU A 33 10.354 -1.879 -5.543 1.00 0.41 H new ATOM 0 HG LEU A 33 9.530 -0.742 -8.223 1.00 0.51 H new ATOM 0 HD11 LEU A 33 11.261 0.948 -7.721 1.00 1.37 H new ATOM 0 HD12 LEU A 33 9.972 0.933 -6.494 1.00 1.37 H new ATOM 0 HD13 LEU A 33 11.544 0.177 -6.142 1.00 1.37 H new ATOM 0 HD21 LEU A 33 11.861 -1.098 -8.913 1.00 1.27 H new ATOM 0 HD22 LEU A 33 12.174 -1.957 -7.386 1.00 1.27 H new ATOM 0 HD23 LEU A 33 11.026 -2.631 -8.568 1.00 1.27 H new ATOM 482 N ARG A 34 8.904 -5.040 -5.226 1.00 0.33 N ATOM 483 CA ARG A 34 8.218 -5.797 -4.202 1.00 0.34 C ATOM 484 C ARG A 34 8.484 -5.179 -2.861 1.00 0.29 C ATOM 485 O ARG A 34 9.546 -4.569 -2.652 1.00 0.34 O ATOM 486 CB ARG A 34 8.708 -7.225 -4.167 1.00 0.47 C ATOM 487 CG ARG A 34 8.703 -7.949 -5.493 1.00 0.61 C ATOM 488 CD ARG A 34 9.116 -9.389 -5.302 1.00 1.10 C ATOM 489 NE ARG A 34 10.369 -9.520 -4.556 1.00 1.91 N ATOM 490 CZ ARG A 34 10.466 -10.105 -3.346 1.00 3.03 C ATOM 491 NH1 ARG A 34 9.356 -10.517 -2.705 1.00 3.63 N ATOM 492 NH2 ARG A 34 11.649 -10.228 -2.767 1.00 3.94 N ATOM 0 H ARG A 34 9.715 -5.505 -5.633 1.00 0.33 H new ATOM 0 HA ARG A 34 7.152 -5.786 -4.430 1.00 0.34 H new ATOM 0 HB2 ARG A 34 9.724 -7.232 -3.773 1.00 0.47 H new ATOM 0 HB3 ARG A 34 8.090 -7.785 -3.465 1.00 0.47 H new ATOM 0 HG2 ARG A 34 7.708 -7.904 -5.937 1.00 0.61 H new ATOM 0 HG3 ARG A 34 9.384 -7.457 -6.187 1.00 0.61 H new ATOM 0 HD2 ARG A 34 8.326 -9.923 -4.775 1.00 1.10 H new ATOM 0 HD3 ARG A 34 9.226 -9.864 -6.277 1.00 1.10 H new ATOM 0 HE ARG A 34 11.219 -9.146 -4.977 1.00 1.91 H new ATOM 0 HH11 ARG A 34 8.440 -10.386 -3.135 1.00 3.63 H new ATOM 0 HH12 ARG A 34 9.431 -10.960 -1.789 1.00 3.63 H new ATOM 0 HH21 ARG A 34 12.485 -9.880 -3.236 1.00 3.94 H new ATOM 0 HH22 ARG A 34 11.725 -10.670 -1.851 1.00 3.94 H new ATOM 506 N PHE A 35 7.561 -5.360 -1.947 1.00 0.25 N ATOM 507 CA PHE A 35 7.674 -4.769 -0.634 1.00 0.24 C ATOM 508 C PHE A 35 8.902 -5.325 0.071 1.00 0.27 C ATOM 509 O PHE A 35 9.716 -4.568 0.600 1.00 0.29 O ATOM 510 CB PHE A 35 6.422 -5.015 0.206 1.00 0.26 C ATOM 511 CG PHE A 35 5.140 -4.634 -0.459 1.00 0.26 C ATOM 512 CD1 PHE A 35 4.811 -3.306 -0.672 1.00 0.32 C ATOM 513 CD2 PHE A 35 4.256 -5.608 -0.854 1.00 0.27 C ATOM 514 CE1 PHE A 35 3.615 -2.972 -1.274 1.00 0.35 C ATOM 515 CE2 PHE A 35 3.066 -5.281 -1.455 1.00 0.32 C ATOM 516 CZ PHE A 35 2.745 -3.972 -1.664 1.00 0.35 C ATOM 0 H PHE A 35 6.718 -5.916 -2.089 1.00 0.25 H new ATOM 0 HA PHE A 35 7.778 -3.691 -0.754 1.00 0.24 H new ATOM 0 HB2 PHE A 35 6.379 -6.072 0.469 1.00 0.26 H new ATOM 0 HB3 PHE A 35 6.511 -4.458 1.139 1.00 0.26 H new ATOM 0 HD1 PHE A 35 5.494 -2.528 -0.365 1.00 0.32 H new ATOM 0 HD2 PHE A 35 4.501 -6.647 -0.689 1.00 0.27 H new ATOM 0 HE1 PHE A 35 3.361 -1.935 -1.439 1.00 0.35 H new ATOM 0 HE2 PHE A 35 2.384 -6.060 -1.762 1.00 0.32 H new ATOM 0 HZ PHE A 35 1.808 -3.716 -2.136 1.00 0.35 H new ATOM 526 N GLU A 36 9.064 -6.641 0.022 1.00 0.37 N ATOM 527 CA GLU A 36 10.214 -7.323 0.624 1.00 0.47 C ATOM 528 C GLU A 36 11.548 -6.811 0.056 1.00 0.46 C ATOM 529 O GLU A 36 12.588 -6.929 0.689 1.00 0.51 O ATOM 530 CB GLU A 36 10.121 -8.835 0.457 1.00 0.64 C ATOM 531 CG GLU A 36 8.876 -9.455 1.063 1.00 1.56 C ATOM 532 CD GLU A 36 8.878 -10.952 0.948 1.00 2.12 C ATOM 533 OE1 GLU A 36 9.040 -11.476 -0.173 1.00 2.79 O ATOM 534 OE2 GLU A 36 8.658 -11.642 1.977 1.00 2.45 O ATOM 0 H GLU A 36 8.404 -7.270 -0.435 1.00 0.37 H new ATOM 0 HA GLU A 36 10.187 -7.091 1.689 1.00 0.47 H new ATOM 0 HB2 GLU A 36 10.151 -9.074 -0.606 1.00 0.64 H new ATOM 0 HB3 GLU A 36 10.999 -9.294 0.912 1.00 0.64 H new ATOM 0 HG2 GLU A 36 8.805 -9.173 2.113 1.00 1.56 H new ATOM 0 HG3 GLU A 36 7.993 -9.055 0.565 1.00 1.56 H new ATOM 541 N ASP A 37 11.507 -6.250 -1.137 1.00 0.44 N ATOM 542 CA ASP A 37 12.715 -5.776 -1.796 1.00 0.50 C ATOM 543 C ASP A 37 13.087 -4.377 -1.302 1.00 0.48 C ATOM 544 O ASP A 37 14.262 -4.012 -1.247 1.00 0.60 O ATOM 545 CB ASP A 37 12.537 -5.788 -3.322 1.00 0.57 C ATOM 546 CG ASP A 37 13.810 -5.441 -4.064 1.00 0.68 C ATOM 547 OD1 ASP A 37 14.788 -6.214 -3.971 1.00 0.74 O ATOM 548 OD2 ASP A 37 13.855 -4.400 -4.760 1.00 0.88 O ATOM 0 H ASP A 37 10.650 -6.110 -1.673 1.00 0.44 H new ATOM 0 HA ASP A 37 13.532 -6.452 -1.543 1.00 0.50 H new ATOM 0 HB2 ASP A 37 12.197 -6.775 -3.636 1.00 0.57 H new ATOM 0 HB3 ASP A 37 11.756 -5.079 -3.598 1.00 0.57 H new ATOM 553 N ILE A 38 12.094 -3.608 -0.896 1.00 0.40 N ATOM 554 CA ILE A 38 12.343 -2.250 -0.406 1.00 0.42 C ATOM 555 C ILE A 38 12.414 -2.193 1.126 1.00 0.42 C ATOM 556 O ILE A 38 12.449 -1.113 1.728 1.00 0.50 O ATOM 557 CB ILE A 38 11.317 -1.210 -0.938 1.00 0.47 C ATOM 558 CG1 ILE A 38 9.884 -1.593 -0.525 1.00 0.47 C ATOM 559 CG2 ILE A 38 11.431 -1.077 -2.452 1.00 0.56 C ATOM 560 CD1 ILE A 38 8.822 -0.620 -0.987 1.00 0.60 C ATOM 0 H ILE A 38 11.114 -3.890 -0.892 1.00 0.40 H new ATOM 0 HA ILE A 38 13.319 -1.975 -0.806 1.00 0.42 H new ATOM 0 HB ILE A 38 11.545 -0.242 -0.492 1.00 0.47 H new ATOM 0 HG12 ILE A 38 9.655 -2.580 -0.926 1.00 0.47 H new ATOM 0 HG13 ILE A 38 9.840 -1.672 0.561 1.00 0.47 H new ATOM 0 HG21 ILE A 38 10.706 -0.345 -2.809 1.00 0.56 H new ATOM 0 HG22 ILE A 38 12.437 -0.749 -2.714 1.00 0.56 H new ATOM 0 HG23 ILE A 38 11.232 -2.042 -2.918 1.00 0.56 H new ATOM 0 HD11 ILE A 38 7.843 -0.965 -0.654 1.00 0.60 H new ATOM 0 HD12 ILE A 38 9.023 0.365 -0.565 1.00 0.60 H new ATOM 0 HD13 ILE A 38 8.834 -0.558 -2.075 1.00 0.60 H new ATOM 572 N GLY A 39 12.520 -3.352 1.745 1.00 0.42 N ATOM 573 CA GLY A 39 12.611 -3.419 3.186 1.00 0.50 C ATOM 574 C GLY A 39 11.267 -3.316 3.861 1.00 0.47 C ATOM 575 O GLY A 39 11.148 -2.756 4.953 1.00 0.66 O ATOM 0 H GLY A 39 12.545 -4.256 1.273 1.00 0.42 H new ATOM 0 HA2 GLY A 39 13.085 -4.358 3.472 1.00 0.50 H new ATOM 0 HA3 GLY A 39 13.254 -2.615 3.543 1.00 0.50 H new ATOM 579 N TYR A 40 10.258 -3.817 3.210 1.00 0.36 N ATOM 580 CA TYR A 40 8.935 -3.817 3.753 1.00 0.36 C ATOM 581 C TYR A 40 8.440 -5.208 3.982 1.00 0.42 C ATOM 582 O TYR A 40 8.108 -5.924 3.047 1.00 0.59 O ATOM 583 CB TYR A 40 7.966 -3.025 2.876 1.00 0.36 C ATOM 584 CG TYR A 40 7.683 -1.672 3.426 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.616 -0.667 3.283 1.00 0.70 C ATOM 586 CD2 TYR A 40 6.478 -1.378 4.043 1.00 0.64 C ATOM 587 CE1 TYR A 40 8.370 0.593 3.739 1.00 0.95 C ATOM 588 CE2 TYR A 40 6.210 -0.108 4.490 1.00 0.90 C ATOM 589 CZ TYR A 40 7.155 0.789 4.547 1.00 1.04 C ATOM 590 OH TYR A 40 6.898 2.154 4.728 1.00 1.33 O ATOM 0 H TYR A 40 10.332 -4.238 2.284 1.00 0.36 H new ATOM 0 HA TYR A 40 8.984 -3.318 4.721 1.00 0.36 H new ATOM 0 HB2 TYR A 40 8.384 -2.927 1.874 1.00 0.36 H new ATOM 0 HB3 TYR A 40 7.032 -3.578 2.780 1.00 0.36 H new ATOM 0 HD1 TYR A 40 9.558 -0.882 2.801 1.00 0.70 H new ATOM 0 HD2 TYR A 40 5.741 -2.157 4.174 1.00 0.64 H new ATOM 0 HE1 TYR A 40 9.037 1.413 3.517 1.00 0.95 H new ATOM 0 HE2 TYR A 40 5.207 0.151 4.797 1.00 0.90 H new ATOM 0 HH TYR A 40 7.108 2.639 3.903 1.00 1.33 H new ATOM 600 N ASP A 41 8.412 -5.599 5.223 1.00 0.42 N ATOM 601 CA ASP A 41 7.892 -6.897 5.582 1.00 0.51 C ATOM 602 C ASP A 41 6.406 -6.781 5.682 1.00 0.44 C ATOM 603 O ASP A 41 5.885 -5.664 5.855 1.00 0.38 O ATOM 604 CB ASP A 41 8.439 -7.383 6.927 1.00 0.67 C ATOM 605 CG ASP A 41 9.933 -7.569 6.945 1.00 0.89 C ATOM 606 OD1 ASP A 41 10.429 -8.546 6.339 1.00 1.06 O ATOM 607 OD2 ASP A 41 10.641 -6.742 7.549 1.00 0.99 O ATOM 0 H ASP A 41 8.743 -5.040 6.009 1.00 0.42 H new ATOM 0 HA ASP A 41 8.195 -7.617 4.821 1.00 0.51 H new ATOM 0 HB2 ASP A 41 8.162 -6.667 7.701 1.00 0.67 H new ATOM 0 HB3 ASP A 41 7.962 -8.329 7.182 1.00 0.67 H new ATOM 612 N SER A 42 5.713 -7.894 5.569 1.00 0.51 N ATOM 613 CA SER A 42 4.270 -7.915 5.648 1.00 0.48 C ATOM 614 C SER A 42 3.717 -7.217 6.903 1.00 0.41 C ATOM 615 O SER A 42 2.659 -6.610 6.850 1.00 0.37 O ATOM 616 CB SER A 42 3.743 -9.326 5.494 1.00 0.59 C ATOM 617 OG SER A 42 4.326 -10.217 6.434 1.00 1.03 O ATOM 0 H SER A 42 6.136 -8.810 5.420 1.00 0.51 H new ATOM 0 HA SER A 42 3.900 -7.325 4.810 1.00 0.48 H new ATOM 0 HB2 SER A 42 2.660 -9.324 5.619 1.00 0.59 H new ATOM 0 HB3 SER A 42 3.946 -9.681 4.484 1.00 0.59 H new ATOM 0 HG SER A 42 3.959 -11.116 6.303 1.00 1.03 H new ATOM 623 N LEU A 43 4.472 -7.255 8.008 1.00 0.45 N ATOM 624 CA LEU A 43 4.047 -6.597 9.247 1.00 0.46 C ATOM 625 C LEU A 43 3.966 -5.078 9.036 1.00 0.41 C ATOM 626 O LEU A 43 2.932 -4.449 9.311 1.00 0.41 O ATOM 627 CB LEU A 43 5.014 -6.921 10.396 1.00 0.59 C ATOM 628 CG LEU A 43 4.678 -6.285 11.756 1.00 0.75 C ATOM 629 CD1 LEU A 43 3.336 -6.785 12.277 1.00 1.56 C ATOM 630 CD2 LEU A 43 5.781 -6.556 12.764 1.00 1.24 C ATOM 0 H LEU A 43 5.372 -7.730 8.069 1.00 0.45 H new ATOM 0 HA LEU A 43 3.059 -6.972 9.515 1.00 0.46 H new ATOM 0 HB2 LEU A 43 5.049 -8.003 10.521 1.00 0.59 H new ATOM 0 HB3 LEU A 43 6.014 -6.601 10.104 1.00 0.59 H new ATOM 0 HG LEU A 43 4.603 -5.207 11.613 1.00 0.75 H new ATOM 0 HD11 LEU A 43 3.123 -6.320 13.239 1.00 1.56 H new ATOM 0 HD12 LEU A 43 2.551 -6.526 11.567 1.00 1.56 H new ATOM 0 HD13 LEU A 43 3.373 -7.868 12.398 1.00 1.56 H new ATOM 0 HD21 LEU A 43 5.523 -6.097 13.718 1.00 1.24 H new ATOM 0 HD22 LEU A 43 5.895 -7.632 12.898 1.00 1.24 H new ATOM 0 HD23 LEU A 43 6.718 -6.134 12.400 1.00 1.24 H new ATOM 642 N ALA A 44 5.043 -4.507 8.508 1.00 0.39 N ATOM 643 CA ALA A 44 5.105 -3.079 8.197 1.00 0.39 C ATOM 644 C ALA A 44 4.059 -2.732 7.152 1.00 0.34 C ATOM 645 O ALA A 44 3.417 -1.683 7.211 1.00 0.40 O ATOM 646 CB ALA A 44 6.483 -2.706 7.685 1.00 0.43 C ATOM 0 H ALA A 44 5.897 -5.017 8.283 1.00 0.39 H new ATOM 0 HA ALA A 44 4.906 -2.516 9.109 1.00 0.39 H new ATOM 0 HB1 ALA A 44 6.511 -1.640 7.459 1.00 0.43 H new ATOM 0 HB2 ALA A 44 7.228 -2.935 8.447 1.00 0.43 H new ATOM 0 HB3 ALA A 44 6.702 -3.275 6.781 1.00 0.43 H new ATOM 652 N LEU A 45 3.872 -3.644 6.220 1.00 0.29 N ATOM 653 CA LEU A 45 2.912 -3.491 5.154 1.00 0.28 C ATOM 654 C LEU A 45 1.491 -3.381 5.716 1.00 0.25 C ATOM 655 O LEU A 45 0.731 -2.497 5.315 1.00 0.26 O ATOM 656 CB LEU A 45 3.027 -4.669 4.191 1.00 0.30 C ATOM 657 CG LEU A 45 2.094 -4.673 2.989 1.00 0.33 C ATOM 658 CD1 LEU A 45 2.288 -3.422 2.157 1.00 0.43 C ATOM 659 CD2 LEU A 45 2.361 -5.900 2.155 1.00 0.38 C ATOM 0 H LEU A 45 4.390 -4.522 6.184 1.00 0.29 H new ATOM 0 HA LEU A 45 3.125 -2.570 4.612 1.00 0.28 H new ATOM 0 HB2 LEU A 45 4.053 -4.707 3.824 1.00 0.30 H new ATOM 0 HB3 LEU A 45 2.856 -5.586 4.755 1.00 0.30 H new ATOM 0 HG LEU A 45 1.062 -4.689 3.340 1.00 0.33 H new ATOM 0 HD11 LEU A 45 1.612 -3.445 1.303 1.00 0.43 H new ATOM 0 HD12 LEU A 45 2.074 -2.543 2.766 1.00 0.43 H new ATOM 0 HD13 LEU A 45 3.318 -3.376 1.803 1.00 0.43 H new ATOM 0 HD21 LEU A 45 1.694 -5.906 1.293 1.00 0.38 H new ATOM 0 HD22 LEU A 45 3.396 -5.889 1.813 1.00 0.38 H new ATOM 0 HD23 LEU A 45 2.186 -6.793 2.755 1.00 0.38 H new ATOM 671 N MET A 46 1.151 -4.251 6.665 1.00 0.24 N ATOM 672 CA MET A 46 -0.175 -4.219 7.305 1.00 0.23 C ATOM 673 C MET A 46 -0.368 -2.914 8.044 1.00 0.25 C ATOM 674 O MET A 46 -1.424 -2.354 8.015 1.00 0.27 O ATOM 675 CB MET A 46 -0.376 -5.356 8.302 1.00 0.27 C ATOM 676 CG MET A 46 -0.182 -6.745 7.749 1.00 0.34 C ATOM 677 SD MET A 46 -0.185 -7.996 9.044 1.00 0.50 S ATOM 678 CE MET A 46 0.265 -9.445 8.096 1.00 1.49 C ATOM 0 H MET A 46 1.768 -4.986 7.011 1.00 0.24 H new ATOM 0 HA MET A 46 -0.903 -4.328 6.501 1.00 0.23 H new ATOM 0 HB2 MET A 46 0.316 -5.214 9.132 1.00 0.27 H new ATOM 0 HB3 MET A 46 -1.384 -5.284 8.711 1.00 0.27 H new ATOM 0 HG2 MET A 46 -0.974 -6.963 7.033 1.00 0.34 H new ATOM 0 HG3 MET A 46 0.761 -6.790 7.205 1.00 0.34 H new ATOM 0 HE1 MET A 46 -0.212 -10.325 8.528 1.00 1.49 H new ATOM 0 HE2 MET A 46 -0.066 -9.322 7.065 1.00 1.49 H new ATOM 0 HE3 MET A 46 1.347 -9.572 8.117 1.00 1.49 H new ATOM 688 N GLU A 47 0.692 -2.442 8.695 1.00 0.29 N ATOM 689 CA GLU A 47 0.674 -1.192 9.475 1.00 0.34 C ATOM 690 C GLU A 47 0.368 -0.012 8.524 1.00 0.32 C ATOM 691 O GLU A 47 -0.404 0.894 8.842 1.00 0.36 O ATOM 692 CB GLU A 47 2.060 -1.049 10.167 1.00 0.45 C ATOM 693 CG GLU A 47 2.187 -0.030 11.307 1.00 0.58 C ATOM 694 CD GLU A 47 2.260 1.419 10.889 1.00 1.03 C ATOM 695 OE1 GLU A 47 3.333 1.879 10.468 1.00 1.25 O ATOM 696 OE2 GLU A 47 1.216 2.098 10.894 1.00 1.88 O ATOM 0 H GLU A 47 1.596 -2.913 8.701 1.00 0.29 H new ATOM 0 HA GLU A 47 -0.100 -1.199 10.243 1.00 0.34 H new ATOM 0 HB2 GLU A 47 2.342 -2.027 10.558 1.00 0.45 H new ATOM 0 HB3 GLU A 47 2.791 -0.789 9.402 1.00 0.45 H new ATOM 0 HG2 GLU A 47 1.335 -0.153 11.975 1.00 0.58 H new ATOM 0 HG3 GLU A 47 3.081 -0.268 11.883 1.00 0.58 H new ATOM 703 N THR A 48 0.918 -0.110 7.347 1.00 0.30 N ATOM 704 CA THR A 48 0.773 0.872 6.296 1.00 0.33 C ATOM 705 C THR A 48 -0.678 0.848 5.822 1.00 0.29 C ATOM 706 O THR A 48 -1.393 1.857 5.867 1.00 0.33 O ATOM 707 CB THR A 48 1.722 0.515 5.124 1.00 0.36 C ATOM 708 OG1 THR A 48 3.081 0.444 5.601 1.00 0.42 O ATOM 709 CG2 THR A 48 1.633 1.556 4.017 1.00 0.45 C ATOM 0 H THR A 48 1.502 -0.902 7.078 1.00 0.30 H new ATOM 0 HA THR A 48 1.029 1.867 6.661 1.00 0.33 H new ATOM 0 HB THR A 48 1.419 -0.452 4.722 1.00 0.36 H new ATOM 0 HG1 THR A 48 3.244 -0.438 5.995 1.00 0.42 H new ATOM 0 HG21 THR A 48 2.308 1.283 3.206 1.00 0.45 H new ATOM 0 HG22 THR A 48 0.611 1.599 3.640 1.00 0.45 H new ATOM 0 HG23 THR A 48 1.916 2.532 4.412 1.00 0.45 H new ATOM 717 N ALA A 49 -1.095 -0.332 5.386 1.00 0.25 N ATOM 718 CA ALA A 49 -2.442 -0.588 4.916 1.00 0.24 C ATOM 719 C ALA A 49 -3.473 -0.239 5.989 1.00 0.22 C ATOM 720 O ALA A 49 -4.565 0.196 5.676 1.00 0.23 O ATOM 721 CB ALA A 49 -2.565 -2.044 4.500 1.00 0.27 C ATOM 0 H ALA A 49 -0.491 -1.153 5.350 1.00 0.25 H new ATOM 0 HA ALA A 49 -2.641 0.047 4.053 1.00 0.24 H new ATOM 0 HB1 ALA A 49 -3.578 -2.237 4.146 1.00 0.27 H new ATOM 0 HB2 ALA A 49 -1.855 -2.255 3.700 1.00 0.27 H new ATOM 0 HB3 ALA A 49 -2.350 -2.686 5.354 1.00 0.27 H new ATOM 727 N ALA A 50 -3.096 -0.421 7.251 1.00 0.23 N ATOM 728 CA ALA A 50 -3.933 -0.117 8.381 1.00 0.26 C ATOM 729 C ALA A 50 -4.358 1.338 8.389 1.00 0.28 C ATOM 730 O ALA A 50 -5.519 1.670 8.674 1.00 0.30 O ATOM 731 CB ALA A 50 -3.259 -0.470 9.689 1.00 0.33 C ATOM 0 H ALA A 50 -2.181 -0.791 7.510 1.00 0.23 H new ATOM 0 HA ALA A 50 -4.826 -0.733 8.280 1.00 0.26 H new ATOM 0 HB1 ALA A 50 -3.923 -0.226 10.518 1.00 0.33 H new ATOM 0 HB2 ALA A 50 -3.034 -1.536 9.706 1.00 0.33 H new ATOM 0 HB3 ALA A 50 -2.333 0.097 9.786 1.00 0.33 H new ATOM 737 N ARG A 51 -3.407 2.196 8.063 1.00 0.31 N ATOM 738 CA ARG A 51 -3.625 3.629 7.993 1.00 0.37 C ATOM 739 C ARG A 51 -4.578 3.930 6.852 1.00 0.36 C ATOM 740 O ARG A 51 -5.474 4.749 6.971 1.00 0.40 O ATOM 741 CB ARG A 51 -2.298 4.349 7.765 1.00 0.45 C ATOM 742 CG ARG A 51 -1.244 4.035 8.806 1.00 0.54 C ATOM 743 CD ARG A 51 0.053 4.737 8.498 1.00 0.70 C ATOM 744 NE ARG A 51 1.117 4.374 9.434 1.00 1.59 N ATOM 745 CZ ARG A 51 2.140 5.155 9.763 1.00 1.76 C ATOM 746 NH1 ARG A 51 2.145 6.448 9.408 1.00 1.27 N ATOM 747 NH2 ARG A 51 3.135 4.647 10.469 1.00 2.84 N ATOM 0 H ARG A 51 -2.453 1.914 7.837 1.00 0.31 H new ATOM 0 HA ARG A 51 -4.055 3.978 8.932 1.00 0.37 H new ATOM 0 HB2 ARG A 51 -1.914 4.080 6.781 1.00 0.45 H new ATOM 0 HB3 ARG A 51 -2.476 5.424 7.755 1.00 0.45 H new ATOM 0 HG2 ARG A 51 -1.600 4.339 9.791 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -1.077 2.959 8.845 1.00 0.54 H new ATOM 0 HD2 ARG A 51 0.365 4.490 7.483 1.00 0.70 H new ATOM 0 HD3 ARG A 51 -0.104 5.815 8.530 1.00 0.70 H new ATOM 0 HE ARG A 51 1.070 3.452 9.867 1.00 1.59 H new ATOM 0 HH11 ARG A 51 1.361 6.836 8.883 1.00 1.27 H new ATOM 0 HH12 ARG A 51 2.933 7.044 9.663 1.00 1.27 H new ATOM 0 HH21 ARG A 51 3.111 3.668 10.754 1.00 2.84 H new ATOM 0 HH22 ARG A 51 3.927 5.234 10.729 1.00 2.84 H new ATOM 761 N LEU A 52 -4.389 3.213 5.759 1.00 0.32 N ATOM 762 CA LEU A 52 -5.208 3.344 4.573 1.00 0.34 C ATOM 763 C LEU A 52 -6.641 2.914 4.877 1.00 0.33 C ATOM 764 O LEU A 52 -7.603 3.563 4.433 1.00 0.37 O ATOM 765 CB LEU A 52 -4.592 2.513 3.452 1.00 0.35 C ATOM 766 CG LEU A 52 -3.177 2.939 3.044 1.00 0.43 C ATOM 767 CD1 LEU A 52 -2.591 1.975 2.027 1.00 0.90 C ATOM 768 CD2 LEU A 52 -3.194 4.355 2.490 1.00 0.69 C ATOM 0 H LEU A 52 -3.651 2.514 5.672 1.00 0.32 H new ATOM 0 HA LEU A 52 -5.243 4.385 4.251 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.567 1.469 3.764 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.240 2.569 2.578 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.544 2.917 3.931 1.00 0.43 H new ATOM 0 HD11 LEU A 52 -1.587 2.300 1.754 1.00 0.90 H new ATOM 0 HD12 LEU A 52 -2.544 0.975 2.458 1.00 0.90 H new ATOM 0 HD13 LEU A 52 -3.221 1.957 1.138 1.00 0.90 H new ATOM 0 HD21 LEU A 52 -2.183 4.646 2.204 1.00 0.69 H new ATOM 0 HD22 LEU A 52 -3.844 4.396 1.616 1.00 0.69 H new ATOM 0 HD23 LEU A 52 -3.566 5.039 3.252 1.00 0.69 H new ATOM 780 N GLU A 53 -6.769 1.831 5.655 1.00 0.29 N ATOM 781 CA GLU A 53 -8.058 1.353 6.139 1.00 0.32 C ATOM 782 C GLU A 53 -8.757 2.456 6.893 1.00 0.35 C ATOM 783 O GLU A 53 -9.890 2.829 6.567 1.00 0.42 O ATOM 784 CB GLU A 53 -7.910 0.178 7.114 1.00 0.32 C ATOM 785 CG GLU A 53 -7.360 -1.106 6.553 1.00 0.34 C ATOM 786 CD GLU A 53 -7.335 -2.183 7.611 1.00 0.40 C ATOM 787 OE1 GLU A 53 -8.342 -2.877 7.792 1.00 0.48 O ATOM 788 OE2 GLU A 53 -6.283 -2.372 8.267 1.00 0.46 O ATOM 0 H GLU A 53 -5.978 1.266 5.963 1.00 0.29 H new ATOM 0 HA GLU A 53 -8.622 1.033 5.263 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -7.264 0.495 7.932 1.00 0.32 H new ATOM 0 HB3 GLU A 53 -8.889 -0.032 7.544 1.00 0.32 H new ATOM 0 HG2 GLU A 53 -7.970 -1.431 5.710 1.00 0.34 H new ATOM 0 HG3 GLU A 53 -6.352 -0.940 6.172 1.00 0.34 H new ATOM 795 N SER A 54 -8.062 2.982 7.893 1.00 0.35 N ATOM 796 CA SER A 54 -8.612 3.999 8.766 1.00 0.41 C ATOM 797 C SER A 54 -8.947 5.296 7.994 1.00 0.45 C ATOM 798 O SER A 54 -10.026 5.875 8.171 1.00 0.55 O ATOM 799 CB SER A 54 -7.645 4.274 9.936 1.00 0.47 C ATOM 800 OG SER A 54 -8.248 5.092 10.931 1.00 1.19 O ATOM 0 H SER A 54 -7.104 2.714 8.118 1.00 0.35 H new ATOM 0 HA SER A 54 -9.551 3.624 9.174 1.00 0.41 H new ATOM 0 HB2 SER A 54 -7.333 3.329 10.381 1.00 0.47 H new ATOM 0 HB3 SER A 54 -6.746 4.761 9.559 1.00 0.47 H new ATOM 0 HG SER A 54 -7.610 5.246 11.659 1.00 1.19 H new ATOM 806 N ARG A 55 -8.043 5.729 7.126 1.00 0.44 N ATOM 807 CA ARG A 55 -8.236 6.957 6.366 1.00 0.54 C ATOM 808 C ARG A 55 -9.422 6.882 5.414 1.00 0.56 C ATOM 809 O ARG A 55 -10.275 7.756 5.431 1.00 0.68 O ATOM 810 CB ARG A 55 -6.964 7.358 5.597 1.00 0.63 C ATOM 811 CG ARG A 55 -7.159 8.579 4.695 1.00 0.83 C ATOM 812 CD ARG A 55 -5.886 8.968 3.979 1.00 1.08 C ATOM 813 NE ARG A 55 -6.139 9.977 2.937 1.00 1.65 N ATOM 814 CZ ARG A 55 -5.202 10.559 2.179 1.00 2.21 C ATOM 815 NH1 ARG A 55 -3.912 10.395 2.463 1.00 2.35 N ATOM 816 NH2 ARG A 55 -5.573 11.336 1.161 1.00 3.07 N ATOM 0 H ARG A 55 -7.166 5.247 6.930 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.456 7.729 7.103 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -6.167 7.566 6.311 1.00 0.63 H new ATOM 0 HB3 ARG A 55 -6.635 6.515 4.989 1.00 0.63 H new ATOM 0 HG2 ARG A 55 -7.936 8.366 3.961 1.00 0.83 H new ATOM 0 HG3 ARG A 55 -7.508 9.420 5.295 1.00 0.83 H new ATOM 0 HD2 ARG A 55 -5.168 9.360 4.699 1.00 1.08 H new ATOM 0 HD3 ARG A 55 -5.436 8.083 3.529 1.00 1.08 H new ATOM 0 HE ARG A 55 -7.108 10.255 2.780 1.00 1.65 H new ATOM 0 HH11 ARG A 55 -3.634 9.824 3.261 1.00 2.35 H new ATOM 0 HH12 ARG A 55 -3.201 10.840 1.883 1.00 2.35 H new ATOM 0 HH21 ARG A 55 -6.563 11.482 0.966 1.00 3.07 H new ATOM 0 HH22 ARG A 55 -4.866 11.784 0.577 1.00 3.07 H new ATOM 830 N TYR A 56 -9.498 5.835 4.628 1.00 0.50 N ATOM 831 CA TYR A 56 -10.513 5.764 3.583 1.00 0.57 C ATOM 832 C TYR A 56 -11.781 5.044 3.992 1.00 0.61 C ATOM 833 O TYR A 56 -12.757 5.039 3.238 1.00 0.74 O ATOM 834 CB TYR A 56 -9.943 5.158 2.309 1.00 0.62 C ATOM 835 CG TYR A 56 -8.991 6.065 1.579 1.00 0.67 C ATOM 836 CD1 TYR A 56 -7.637 6.053 1.847 1.00 0.74 C ATOM 837 CD2 TYR A 56 -9.463 6.941 0.615 1.00 0.75 C ATOM 838 CE1 TYR A 56 -6.778 6.889 1.175 1.00 0.85 C ATOM 839 CE2 TYR A 56 -8.612 7.780 -0.061 1.00 0.85 C ATOM 840 CZ TYR A 56 -7.271 7.751 0.219 1.00 0.91 C ATOM 841 OH TYR A 56 -6.419 8.591 -0.452 1.00 1.01 O ATOM 0 H TYR A 56 -8.881 5.025 4.684 1.00 0.50 H new ATOM 0 HA TYR A 56 -10.805 6.797 3.396 1.00 0.57 H new ATOM 0 HB2 TYR A 56 -9.428 4.230 2.558 1.00 0.62 H new ATOM 0 HB3 TYR A 56 -10.765 4.897 1.642 1.00 0.62 H new ATOM 0 HD1 TYR A 56 -7.248 5.378 2.595 1.00 0.74 H new ATOM 0 HD2 TYR A 56 -10.519 6.964 0.391 1.00 0.75 H new ATOM 0 HE1 TYR A 56 -5.721 6.871 1.395 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -8.997 8.458 -0.808 1.00 0.85 H new ATOM 0 HH TYR A 56 -6.799 9.494 -0.473 1.00 1.01 H new ATOM 851 N GLY A 57 -11.788 4.455 5.157 1.00 0.58 N ATOM 852 CA GLY A 57 -12.971 3.770 5.604 1.00 0.66 C ATOM 853 C GLY A 57 -13.150 2.457 4.882 1.00 0.71 C ATOM 854 O GLY A 57 -14.193 2.184 4.297 1.00 0.93 O ATOM 0 H GLY A 57 -11.001 4.435 5.806 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -12.907 3.591 6.677 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -13.844 4.401 5.438 1.00 0.66 H new ATOM 858 N VAL A 58 -12.126 1.668 4.911 1.00 0.60 N ATOM 859 CA VAL A 58 -12.129 0.367 4.299 1.00 0.65 C ATOM 860 C VAL A 58 -11.410 -0.564 5.267 1.00 0.60 C ATOM 861 O VAL A 58 -10.943 -0.097 6.309 1.00 0.70 O ATOM 862 CB VAL A 58 -11.444 0.380 2.874 1.00 0.69 C ATOM 863 CG1 VAL A 58 -9.952 0.684 2.950 1.00 1.09 C ATOM 864 CG2 VAL A 58 -11.714 -0.898 2.074 1.00 1.16 C ATOM 0 H VAL A 58 -11.246 1.908 5.367 1.00 0.60 H new ATOM 0 HA VAL A 58 -13.149 0.027 4.119 1.00 0.65 H new ATOM 0 HB VAL A 58 -11.914 1.198 2.328 1.00 0.69 H new ATOM 0 HG11 VAL A 58 -9.529 0.681 1.946 1.00 1.09 H new ATOM 0 HG12 VAL A 58 -9.803 1.664 3.404 1.00 1.09 H new ATOM 0 HG13 VAL A 58 -9.456 -0.075 3.555 1.00 1.09 H new ATOM 0 HG21 VAL A 58 -11.219 -0.832 1.105 1.00 1.16 H new ATOM 0 HG22 VAL A 58 -11.328 -1.758 2.621 1.00 1.16 H new ATOM 0 HG23 VAL A 58 -12.788 -1.015 1.926 1.00 1.16 H new ATOM 874 N SER A 59 -11.329 -1.825 4.975 1.00 0.62 N ATOM 875 CA SER A 59 -10.619 -2.720 5.810 1.00 0.67 C ATOM 876 C SER A 59 -9.889 -3.722 4.939 1.00 0.59 C ATOM 877 O SER A 59 -10.374 -4.102 3.863 1.00 0.72 O ATOM 878 CB SER A 59 -11.561 -3.412 6.810 1.00 0.92 C ATOM 879 OG SER A 59 -10.822 -4.146 7.790 1.00 1.87 O ATOM 0 H SER A 59 -11.754 -2.254 4.153 1.00 0.62 H new ATOM 0 HA SER A 59 -9.890 -2.168 6.404 1.00 0.67 H new ATOM 0 HB2 SER A 59 -12.184 -2.666 7.303 1.00 0.92 H new ATOM 0 HB3 SER A 59 -12.232 -4.085 6.276 1.00 0.92 H new ATOM 0 HG SER A 59 -9.919 -3.773 7.866 1.00 1.87 H new ATOM 885 N ILE A 60 -8.731 -4.118 5.378 1.00 0.48 N ATOM 886 CA ILE A 60 -7.890 -5.038 4.661 1.00 0.45 C ATOM 887 C ILE A 60 -7.439 -6.097 5.640 1.00 0.51 C ATOM 888 O ILE A 60 -6.695 -5.791 6.582 1.00 0.57 O ATOM 889 CB ILE A 60 -6.623 -4.329 4.100 1.00 0.40 C ATOM 890 CG1 ILE A 60 -6.995 -3.122 3.235 1.00 0.40 C ATOM 891 CG2 ILE A 60 -5.772 -5.318 3.292 1.00 0.43 C ATOM 892 CD1 ILE A 60 -5.809 -2.282 2.837 1.00 0.41 C ATOM 0 H ILE A 60 -8.334 -3.805 6.264 1.00 0.48 H new ATOM 0 HA ILE A 60 -8.451 -5.457 3.826 1.00 0.45 H new ATOM 0 HB ILE A 60 -6.040 -3.968 4.948 1.00 0.40 H new ATOM 0 HG12 ILE A 60 -7.501 -3.472 2.335 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -7.705 -2.500 3.779 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.889 -4.808 2.906 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -5.463 -6.142 3.935 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -6.359 -5.708 2.460 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -6.145 -1.444 2.226 1.00 0.41 H new ATOM 0 HD12 ILE A 60 -5.315 -1.903 3.732 1.00 0.41 H new ATOM 0 HD13 ILE A 60 -5.108 -2.890 2.265 1.00 0.41 H new ATOM 904 N PRO A 61 -7.911 -7.334 5.477 1.00 0.58 N ATOM 905 CA PRO A 61 -7.533 -8.444 6.348 1.00 0.66 C ATOM 906 C PRO A 61 -6.034 -8.718 6.267 1.00 0.56 C ATOM 907 O PRO A 61 -5.476 -8.860 5.170 1.00 0.44 O ATOM 908 CB PRO A 61 -8.327 -9.632 5.795 1.00 0.78 C ATOM 909 CG PRO A 61 -9.422 -9.024 4.993 1.00 0.87 C ATOM 910 CD PRO A 61 -8.865 -7.754 4.438 1.00 0.66 C ATOM 0 HA PRO A 61 -7.746 -8.241 7.398 1.00 0.66 H new ATOM 0 HB2 PRO A 61 -7.698 -10.275 5.180 1.00 0.78 H new ATOM 0 HB3 PRO A 61 -8.724 -10.250 6.600 1.00 0.78 H new ATOM 0 HG2 PRO A 61 -9.739 -9.694 4.194 1.00 0.87 H new ATOM 0 HG3 PRO A 61 -10.298 -8.829 5.612 1.00 0.87 H new ATOM 0 HD2 PRO A 61 -8.373 -7.913 3.478 1.00 0.66 H new ATOM 0 HD3 PRO A 61 -9.643 -7.007 4.278 1.00 0.66 H new ATOM 918 N ASP A 62 -5.397 -8.785 7.422 1.00 0.67 N ATOM 919 CA ASP A 62 -3.936 -9.003 7.562 1.00 0.67 C ATOM 920 C ASP A 62 -3.462 -10.264 6.842 1.00 0.54 C ATOM 921 O ASP A 62 -2.340 -10.323 6.360 1.00 0.52 O ATOM 922 CB ASP A 62 -3.538 -9.089 9.035 1.00 0.90 C ATOM 923 CG ASP A 62 -4.102 -10.307 9.719 1.00 1.18 C ATOM 924 OD1 ASP A 62 -5.331 -10.395 9.863 1.00 1.29 O ATOM 925 OD2 ASP A 62 -3.331 -11.214 10.091 1.00 1.83 O ATOM 0 H ASP A 62 -5.875 -8.690 8.318 1.00 0.67 H new ATOM 0 HA ASP A 62 -3.452 -8.144 7.097 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -2.451 -9.104 9.113 1.00 0.90 H new ATOM 0 HB3 ASP A 62 -3.882 -8.194 9.553 1.00 0.90 H new ATOM 930 N ASP A 63 -4.327 -11.253 6.750 1.00 0.56 N ATOM 931 CA ASP A 63 -3.986 -12.511 6.093 1.00 0.55 C ATOM 932 C ASP A 63 -3.818 -12.269 4.591 1.00 0.44 C ATOM 933 O ASP A 63 -2.937 -12.827 3.951 1.00 0.46 O ATOM 934 CB ASP A 63 -5.077 -13.559 6.359 1.00 0.75 C ATOM 935 CG ASP A 63 -4.703 -14.957 5.895 1.00 1.54 C ATOM 936 OD1 ASP A 63 -4.916 -15.282 4.700 1.00 2.34 O ATOM 937 OD2 ASP A 63 -4.174 -15.745 6.689 1.00 1.84 O ATOM 0 H ASP A 63 -5.276 -11.216 7.121 1.00 0.56 H new ATOM 0 HA ASP A 63 -3.047 -12.891 6.496 1.00 0.55 H new ATOM 0 HB2 ASP A 63 -5.292 -13.585 7.427 1.00 0.75 H new ATOM 0 HB3 ASP A 63 -5.994 -13.252 5.857 1.00 0.75 H new ATOM 942 N VAL A 64 -4.633 -11.376 4.063 1.00 0.41 N ATOM 943 CA VAL A 64 -4.553 -10.983 2.663 1.00 0.40 C ATOM 944 C VAL A 64 -3.366 -10.030 2.496 1.00 0.34 C ATOM 945 O VAL A 64 -2.543 -10.193 1.601 1.00 0.41 O ATOM 946 CB VAL A 64 -5.853 -10.265 2.201 1.00 0.52 C ATOM 947 CG1 VAL A 64 -5.824 -10.010 0.707 1.00 0.65 C ATOM 948 CG2 VAL A 64 -7.090 -11.062 2.573 1.00 0.66 C ATOM 0 H VAL A 64 -5.368 -10.902 4.588 1.00 0.41 H new ATOM 0 HA VAL A 64 -4.426 -11.877 2.053 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.900 -9.307 2.720 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -6.743 -9.507 0.406 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -4.969 -9.380 0.462 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.740 -10.959 0.177 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -7.980 -10.531 2.235 1.00 0.66 H new ATOM 0 HG22 VAL A 64 -7.049 -12.041 2.096 1.00 0.66 H new ATOM 0 HG23 VAL A 64 -7.131 -11.187 3.655 1.00 0.66 H new ATOM 958 N ALA A 65 -3.290 -9.042 3.387 1.00 0.33 N ATOM 959 CA ALA A 65 -2.232 -8.025 3.381 1.00 0.39 C ATOM 960 C ALA A 65 -0.827 -8.638 3.467 1.00 0.41 C ATOM 961 O ALA A 65 0.123 -8.082 2.959 1.00 0.51 O ATOM 962 CB ALA A 65 -2.446 -7.030 4.515 1.00 0.46 C ATOM 0 H ALA A 65 -3.966 -8.921 4.141 1.00 0.33 H new ATOM 0 HA ALA A 65 -2.296 -7.503 2.426 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -1.653 -6.282 4.497 1.00 0.46 H new ATOM 0 HB2 ALA A 65 -3.411 -6.539 4.391 1.00 0.46 H new ATOM 0 HB3 ALA A 65 -2.427 -7.556 5.469 1.00 0.46 H new ATOM 968 N GLY A 66 -0.713 -9.784 4.101 1.00 0.40 N ATOM 969 CA GLY A 66 0.571 -10.437 4.218 1.00 0.48 C ATOM 970 C GLY A 66 0.905 -11.308 3.017 1.00 0.48 C ATOM 971 O GLY A 66 1.992 -11.880 2.946 1.00 0.61 O ATOM 0 H GLY A 66 -1.488 -10.280 4.541 1.00 0.40 H new ATOM 0 HA2 GLY A 66 1.347 -9.681 4.339 1.00 0.48 H new ATOM 0 HA3 GLY A 66 0.580 -11.051 5.119 1.00 0.48 H new ATOM 975 N ARG A 67 -0.016 -11.395 2.074 1.00 0.43 N ATOM 976 CA ARG A 67 0.168 -12.213 0.887 1.00 0.48 C ATOM 977 C ARG A 67 0.589 -11.361 -0.319 1.00 0.36 C ATOM 978 O ARG A 67 1.252 -11.855 -1.227 1.00 0.40 O ATOM 979 CB ARG A 67 -1.125 -12.993 0.563 1.00 0.64 C ATOM 980 CG ARG A 67 -1.070 -13.780 -0.742 1.00 1.16 C ATOM 981 CD ARG A 67 -2.385 -14.468 -1.052 1.00 1.45 C ATOM 982 NE ARG A 67 -2.406 -14.977 -2.433 1.00 2.16 N ATOM 983 CZ ARG A 67 -3.499 -15.409 -3.080 1.00 3.05 C ATOM 984 NH1 ARG A 67 -4.644 -15.606 -2.413 1.00 3.43 N ATOM 985 NH2 ARG A 67 -3.438 -15.669 -4.383 1.00 3.98 N ATOM 0 H ARG A 67 -0.909 -10.903 2.108 1.00 0.43 H new ATOM 0 HA ARG A 67 0.968 -12.924 1.094 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -1.335 -13.682 1.381 1.00 0.64 H new ATOM 0 HB3 ARG A 67 -1.957 -12.291 0.516 1.00 0.64 H new ATOM 0 HG2 ARG A 67 -0.813 -13.107 -1.560 1.00 1.16 H new ATOM 0 HG3 ARG A 67 -0.277 -14.526 -0.681 1.00 1.16 H new ATOM 0 HD2 ARG A 67 -2.541 -15.292 -0.355 1.00 1.45 H new ATOM 0 HD3 ARG A 67 -3.208 -13.768 -0.907 1.00 1.45 H new ATOM 0 HE ARG A 67 -1.520 -15.003 -2.938 1.00 2.16 H new ATOM 0 HH11 ARG A 67 -4.687 -15.427 -1.410 1.00 3.43 H new ATOM 0 HH12 ARG A 67 -5.473 -15.934 -2.909 1.00 3.43 H new ATOM 0 HH21 ARG A 67 -2.561 -15.540 -4.888 1.00 3.98 H new ATOM 0 HH22 ARG A 67 -4.268 -15.998 -4.877 1.00 3.98 H new ATOM 999 N VAL A 68 0.254 -10.087 -0.302 1.00 0.33 N ATOM 1000 CA VAL A 68 0.522 -9.221 -1.450 1.00 0.34 C ATOM 1001 C VAL A 68 2.003 -8.883 -1.568 1.00 0.35 C ATOM 1002 O VAL A 68 2.630 -8.370 -0.642 1.00 0.44 O ATOM 1003 CB VAL A 68 -0.355 -7.936 -1.454 1.00 0.38 C ATOM 1004 CG1 VAL A 68 -1.788 -8.292 -1.786 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.310 -7.223 -0.114 1.00 0.41 C ATOM 0 H VAL A 68 -0.201 -9.624 0.484 1.00 0.33 H new ATOM 0 HA VAL A 68 0.240 -9.793 -2.334 1.00 0.34 H new ATOM 0 HB VAL A 68 0.047 -7.263 -2.211 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -2.397 -7.388 -1.787 1.00 0.38 H new ATOM 0 HG12 VAL A 68 -1.828 -8.758 -2.771 1.00 0.38 H new ATOM 0 HG13 VAL A 68 -2.172 -8.987 -1.040 1.00 0.38 H new ATOM 0 HG21 VAL A 68 -0.934 -6.331 -0.156 1.00 0.41 H new ATOM 0 HG22 VAL A 68 -0.680 -7.889 0.665 1.00 0.41 H new ATOM 0 HG23 VAL A 68 0.717 -6.937 0.112 1.00 0.41 H new ATOM 1015 N ASP A 69 2.554 -9.263 -2.697 1.00 0.36 N ATOM 1016 CA ASP A 69 3.978 -9.121 -2.994 1.00 0.40 C ATOM 1017 C ASP A 69 4.291 -7.828 -3.682 1.00 0.32 C ATOM 1018 O ASP A 69 5.243 -7.133 -3.331 1.00 0.32 O ATOM 1019 CB ASP A 69 4.425 -10.284 -3.877 1.00 0.57 C ATOM 1020 CG ASP A 69 5.878 -10.234 -4.261 1.00 1.13 C ATOM 1021 OD1 ASP A 69 6.737 -10.130 -3.354 1.00 1.27 O ATOM 1022 OD2 ASP A 69 6.183 -10.220 -5.482 1.00 1.91 O ATOM 0 H ASP A 69 2.022 -9.689 -3.456 1.00 0.36 H new ATOM 0 HA ASP A 69 4.515 -9.126 -2.046 1.00 0.40 H new ATOM 0 HB2 ASP A 69 4.229 -11.220 -3.354 1.00 0.57 H new ATOM 0 HB3 ASP A 69 3.820 -10.293 -4.784 1.00 0.57 H new ATOM 1027 N THR A 70 3.536 -7.520 -4.669 1.00 0.32 N ATOM 1028 CA THR A 70 3.784 -6.356 -5.421 1.00 0.31 C ATOM 1029 C THR A 70 2.737 -5.289 -5.132 1.00 0.27 C ATOM 1030 O THR A 70 1.554 -5.608 -4.879 1.00 0.29 O ATOM 1031 CB THR A 70 3.841 -6.706 -6.913 1.00 0.41 C ATOM 1032 OG1 THR A 70 2.638 -7.399 -7.278 1.00 0.45 O ATOM 1033 CG2 THR A 70 5.048 -7.595 -7.183 1.00 0.47 C ATOM 0 H THR A 70 2.732 -8.068 -4.975 1.00 0.32 H new ATOM 0 HA THR A 70 4.750 -5.942 -5.130 1.00 0.31 H new ATOM 0 HB THR A 70 3.931 -5.794 -7.502 1.00 0.41 H new ATOM 0 HG1 THR A 70 2.786 -7.896 -8.109 1.00 0.45 H new ATOM 0 HG21 THR A 70 5.087 -7.843 -8.244 1.00 0.47 H new ATOM 0 HG22 THR A 70 5.959 -7.068 -6.900 1.00 0.47 H new ATOM 0 HG23 THR A 70 4.963 -8.511 -6.599 1.00 0.47 H new ATOM 1041 N PRO A 71 3.159 -4.010 -5.102 1.00 0.25 N ATOM 1042 CA PRO A 71 2.267 -2.867 -4.920 1.00 0.24 C ATOM 1043 C PRO A 71 1.140 -2.873 -5.924 1.00 0.21 C ATOM 1044 O PRO A 71 0.063 -2.402 -5.632 1.00 0.25 O ATOM 1045 CB PRO A 71 3.176 -1.668 -5.139 1.00 0.29 C ATOM 1046 CG PRO A 71 4.510 -2.161 -4.739 1.00 0.32 C ATOM 1047 CD PRO A 71 4.564 -3.586 -5.178 1.00 0.30 C ATOM 0 HA PRO A 71 1.784 -2.869 -3.943 1.00 0.24 H new ATOM 0 HB2 PRO A 71 3.165 -1.342 -6.179 1.00 0.29 H new ATOM 0 HB3 PRO A 71 2.867 -0.815 -4.535 1.00 0.29 H new ATOM 0 HG2 PRO A 71 5.300 -1.576 -5.210 1.00 0.32 H new ATOM 0 HG3 PRO A 71 4.651 -2.078 -3.661 1.00 0.32 H new ATOM 0 HD2 PRO A 71 4.960 -3.682 -6.189 1.00 0.30 H new ATOM 0 HD3 PRO A 71 5.202 -4.185 -4.528 1.00 0.30 H new ATOM 1055 N ARG A 72 1.416 -3.402 -7.107 1.00 0.22 N ATOM 1056 CA ARG A 72 0.418 -3.600 -8.146 1.00 0.26 C ATOM 1057 C ARG A 72 -0.808 -4.350 -7.598 1.00 0.25 C ATOM 1058 O ARG A 72 -1.939 -3.870 -7.705 1.00 0.29 O ATOM 1059 CB ARG A 72 1.066 -4.328 -9.339 1.00 0.40 C ATOM 1060 CG ARG A 72 0.100 -4.986 -10.309 1.00 0.92 C ATOM 1061 CD ARG A 72 0.812 -5.528 -11.548 1.00 0.95 C ATOM 1062 NE ARG A 72 2.123 -6.160 -11.258 1.00 0.67 N ATOM 1063 CZ ARG A 72 2.343 -7.384 -10.741 1.00 0.93 C ATOM 1064 NH1 ARG A 72 1.359 -8.076 -10.202 1.00 1.48 N ATOM 1065 NH2 ARG A 72 3.582 -7.876 -10.715 1.00 1.29 N ATOM 0 H ARG A 72 2.351 -3.709 -7.375 1.00 0.22 H new ATOM 0 HA ARG A 72 0.054 -2.633 -8.494 1.00 0.26 H new ATOM 0 HB2 ARG A 72 1.676 -3.612 -9.891 1.00 0.40 H new ATOM 0 HB3 ARG A 72 1.741 -5.091 -8.953 1.00 0.40 H new ATOM 0 HG2 ARG A 72 -0.421 -5.800 -9.805 1.00 0.92 H new ATOM 0 HG3 ARG A 72 -0.657 -4.263 -10.613 1.00 0.92 H new ATOM 0 HD2 ARG A 72 0.167 -6.259 -12.035 1.00 0.95 H new ATOM 0 HD3 ARG A 72 0.961 -4.712 -12.256 1.00 0.95 H new ATOM 0 HE ARG A 72 2.951 -5.605 -11.475 1.00 0.67 H new ATOM 0 HH11 ARG A 72 0.417 -7.686 -10.173 1.00 1.48 H new ATOM 0 HH12 ARG A 72 1.539 -9.002 -9.814 1.00 1.48 H new ATOM 0 HH21 ARG A 72 4.357 -7.326 -11.085 1.00 1.29 H new ATOM 0 HH22 ARG A 72 3.755 -8.802 -10.325 1.00 1.29 H new ATOM 1079 N GLU A 73 -0.566 -5.494 -6.981 1.00 0.24 N ATOM 1080 CA GLU A 73 -1.637 -6.302 -6.427 1.00 0.28 C ATOM 1081 C GLU A 73 -2.309 -5.592 -5.253 1.00 0.26 C ATOM 1082 O GLU A 73 -3.520 -5.620 -5.119 1.00 0.28 O ATOM 1083 CB GLU A 73 -1.115 -7.670 -5.993 1.00 0.34 C ATOM 1084 CG GLU A 73 -0.381 -8.431 -7.089 1.00 0.44 C ATOM 1085 CD GLU A 73 -1.210 -8.671 -8.332 1.00 1.22 C ATOM 1086 OE1 GLU A 73 -1.263 -7.783 -9.200 1.00 2.13 O ATOM 1087 OE2 GLU A 73 -1.864 -9.732 -8.436 1.00 1.24 O ATOM 0 H GLU A 73 0.367 -5.885 -6.851 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.382 -6.448 -7.209 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.444 -7.538 -5.145 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.953 -8.273 -5.645 1.00 0.34 H new ATOM 0 HG2 GLU A 73 0.516 -7.876 -7.364 1.00 0.44 H new ATOM 0 HG3 GLU A 73 -0.052 -9.392 -6.693 1.00 0.44 H new ATOM 1094 N LEU A 74 -1.507 -4.934 -4.423 1.00 0.26 N ATOM 1095 CA LEU A 74 -2.016 -4.246 -3.234 1.00 0.28 C ATOM 1096 C LEU A 74 -2.871 -3.036 -3.618 1.00 0.26 C ATOM 1097 O LEU A 74 -3.953 -2.833 -3.053 1.00 0.29 O ATOM 1098 CB LEU A 74 -0.835 -3.880 -2.270 1.00 0.31 C ATOM 1099 CG LEU A 74 -1.149 -3.145 -0.925 1.00 0.31 C ATOM 1100 CD1 LEU A 74 -1.405 -1.666 -1.124 1.00 0.81 C ATOM 1101 CD2 LEU A 74 -2.322 -3.802 -0.198 1.00 0.90 C ATOM 0 H LEU A 74 -0.498 -4.860 -4.549 1.00 0.26 H new ATOM 0 HA LEU A 74 -2.676 -4.921 -2.689 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -0.313 -4.805 -2.025 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -0.136 -3.258 -2.829 1.00 0.31 H new ATOM 0 HG LEU A 74 -0.260 -3.238 -0.302 1.00 0.31 H new ATOM 0 HD11 LEU A 74 -1.618 -1.201 -0.162 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -0.524 -1.200 -1.565 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -2.258 -1.531 -1.789 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -2.517 -3.270 0.733 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -3.209 -3.764 -0.830 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -2.077 -4.841 0.022 1.00 0.90 H new ATOM 1113 N LEU A 75 -2.390 -2.251 -4.567 1.00 0.23 N ATOM 1114 CA LEU A 75 -3.106 -1.088 -5.058 1.00 0.23 C ATOM 1115 C LEU A 75 -4.466 -1.517 -5.563 1.00 0.24 C ATOM 1116 O LEU A 75 -5.496 -0.981 -5.145 1.00 0.30 O ATOM 1117 CB LEU A 75 -2.311 -0.399 -6.184 1.00 0.23 C ATOM 1118 CG LEU A 75 -2.905 0.898 -6.741 1.00 0.28 C ATOM 1119 CD1 LEU A 75 -2.974 1.966 -5.660 1.00 0.34 C ATOM 1120 CD2 LEU A 75 -2.093 1.390 -7.930 1.00 0.34 C ATOM 0 H LEU A 75 -1.489 -2.404 -5.020 1.00 0.23 H new ATOM 0 HA LEU A 75 -3.230 -0.373 -4.244 1.00 0.23 H new ATOM 0 HB2 LEU A 75 -1.309 -0.184 -5.813 1.00 0.23 H new ATOM 0 HB3 LEU A 75 -2.201 -1.106 -7.007 1.00 0.23 H new ATOM 0 HG LEU A 75 -3.920 0.691 -7.080 1.00 0.28 H new ATOM 0 HD11 LEU A 75 -3.399 2.879 -6.077 1.00 0.34 H new ATOM 0 HD12 LEU A 75 -3.602 1.615 -4.841 1.00 0.34 H new ATOM 0 HD13 LEU A 75 -1.971 2.171 -5.286 1.00 0.34 H new ATOM 0 HD21 LEU A 75 -2.530 2.312 -8.312 1.00 0.34 H new ATOM 0 HD22 LEU A 75 -1.066 1.578 -7.617 1.00 0.34 H new ATOM 0 HD23 LEU A 75 -2.100 0.633 -8.714 1.00 0.34 H new ATOM 1132 N ASP A 76 -4.458 -2.540 -6.401 1.00 0.22 N ATOM 1133 CA ASP A 76 -5.675 -3.082 -6.998 1.00 0.25 C ATOM 1134 C ASP A 76 -6.610 -3.662 -5.941 1.00 0.27 C ATOM 1135 O ASP A 76 -7.833 -3.492 -6.025 1.00 0.30 O ATOM 1136 CB ASP A 76 -5.335 -4.143 -8.030 1.00 0.33 C ATOM 1137 CG ASP A 76 -6.555 -4.679 -8.728 1.00 0.46 C ATOM 1138 OD1 ASP A 76 -7.077 -3.992 -9.630 1.00 0.56 O ATOM 1139 OD2 ASP A 76 -7.016 -5.790 -8.400 1.00 0.57 O ATOM 0 H ASP A 76 -3.607 -3.022 -6.690 1.00 0.22 H new ATOM 0 HA ASP A 76 -6.193 -2.258 -7.490 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.653 -3.722 -8.769 1.00 0.33 H new ATOM 0 HB3 ASP A 76 -4.809 -4.964 -7.543 1.00 0.33 H new ATOM 1144 N LEU A 77 -6.019 -4.301 -4.930 1.00 0.30 N ATOM 1145 CA LEU A 77 -6.753 -4.903 -3.812 1.00 0.36 C ATOM 1146 C LEU A 77 -7.571 -3.824 -3.125 1.00 0.34 C ATOM 1147 O LEU A 77 -8.796 -3.972 -2.948 1.00 0.38 O ATOM 1148 CB LEU A 77 -5.728 -5.534 -2.819 1.00 0.47 C ATOM 1149 CG LEU A 77 -6.230 -6.416 -1.638 1.00 0.98 C ATOM 1150 CD1 LEU A 77 -5.035 -7.032 -0.952 1.00 1.57 C ATOM 1151 CD2 LEU A 77 -7.029 -5.630 -0.599 1.00 1.96 C ATOM 0 H LEU A 77 -5.008 -4.417 -4.862 1.00 0.30 H new ATOM 0 HA LEU A 77 -7.426 -5.683 -4.167 1.00 0.36 H new ATOM 0 HB2 LEU A 77 -5.039 -6.141 -3.406 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -5.148 -4.717 -2.390 1.00 0.47 H new ATOM 0 HG LEU A 77 -6.894 -7.171 -2.060 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -5.372 -7.653 -0.122 1.00 1.57 H new ATOM 0 HD12 LEU A 77 -4.483 -7.646 -1.664 1.00 1.57 H new ATOM 0 HD13 LEU A 77 -4.385 -6.242 -0.574 1.00 1.57 H new ATOM 0 HD21 LEU A 77 -7.350 -6.301 0.197 1.00 1.96 H new ATOM 0 HD22 LEU A 77 -6.404 -4.842 -0.179 1.00 1.96 H new ATOM 0 HD23 LEU A 77 -7.904 -5.185 -1.073 1.00 1.96 H new ATOM 1163 N ILE A 78 -6.901 -2.734 -2.762 1.00 0.32 N ATOM 1164 CA ILE A 78 -7.558 -1.620 -2.106 1.00 0.34 C ATOM 1165 C ILE A 78 -8.551 -1.013 -3.047 1.00 0.31 C ATOM 1166 O ILE A 78 -9.683 -0.853 -2.694 1.00 0.39 O ATOM 1167 CB ILE A 78 -6.561 -0.527 -1.654 1.00 0.38 C ATOM 1168 CG1 ILE A 78 -5.502 -1.161 -0.738 1.00 0.46 C ATOM 1169 CG2 ILE A 78 -7.322 0.617 -0.924 1.00 0.43 C ATOM 1170 CD1 ILE A 78 -4.394 -0.237 -0.303 1.00 0.55 C ATOM 0 H ILE A 78 -5.901 -2.603 -2.914 1.00 0.32 H new ATOM 0 HA ILE A 78 -8.049 -2.009 -1.214 1.00 0.34 H new ATOM 0 HB ILE A 78 -6.062 -0.096 -2.522 1.00 0.38 H new ATOM 0 HG12 ILE A 78 -5.999 -1.550 0.151 1.00 0.46 H new ATOM 0 HG13 ILE A 78 -5.061 -2.013 -1.255 1.00 0.46 H new ATOM 0 HG21 ILE A 78 -6.613 1.383 -0.609 1.00 0.43 H new ATOM 0 HG22 ILE A 78 -8.054 1.057 -1.601 1.00 0.43 H new ATOM 0 HG23 ILE A 78 -7.833 0.214 -0.050 1.00 0.43 H new ATOM 0 HD11 ILE A 78 -3.700 -0.779 0.339 1.00 0.55 H new ATOM 0 HD12 ILE A 78 -3.863 0.133 -1.180 1.00 0.55 H new ATOM 0 HD13 ILE A 78 -4.816 0.604 0.247 1.00 0.55 H new ATOM 1182 N ASN A 79 -8.111 -0.708 -4.263 1.00 0.29 N ATOM 1183 CA ASN A 79 -8.976 -0.073 -5.276 1.00 0.31 C ATOM 1184 C ASN A 79 -10.289 -0.823 -5.451 1.00 0.32 C ATOM 1185 O ASN A 79 -11.348 -0.215 -5.469 1.00 0.38 O ATOM 1186 CB ASN A 79 -8.261 0.090 -6.642 1.00 0.34 C ATOM 1187 CG ASN A 79 -7.271 1.267 -6.723 1.00 0.52 C ATOM 1188 OD1 ASN A 79 -7.064 1.833 -7.790 1.00 1.14 O ATOM 1189 ND2 ASN A 79 -6.656 1.645 -5.625 1.00 0.52 N ATOM 0 H ASN A 79 -7.159 -0.887 -4.581 1.00 0.29 H new ATOM 0 HA ASN A 79 -9.201 0.924 -4.898 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.725 -0.832 -6.867 1.00 0.34 H new ATOM 0 HB3 ASN A 79 -9.016 0.216 -7.418 1.00 0.34 H new ATOM 0 HD21 ASN A 79 -5.994 2.421 -5.652 1.00 0.52 H new ATOM 0 HD22 ASN A 79 -6.840 1.163 -4.745 1.00 0.52 H new ATOM 1196 N GLY A 80 -10.212 -2.140 -5.514 1.00 0.34 N ATOM 1197 CA GLY A 80 -11.396 -2.953 -5.654 1.00 0.42 C ATOM 1198 C GLY A 80 -12.271 -2.925 -4.409 1.00 0.45 C ATOM 1199 O GLY A 80 -13.471 -2.653 -4.499 1.00 0.53 O ATOM 0 H GLY A 80 -9.339 -2.665 -5.470 1.00 0.34 H new ATOM 0 HA2 GLY A 80 -11.974 -2.603 -6.509 1.00 0.42 H new ATOM 0 HA3 GLY A 80 -11.104 -3.981 -5.866 1.00 0.42 H new ATOM 1203 N ALA A 81 -11.657 -3.133 -3.250 1.00 0.44 N ATOM 1204 CA ALA A 81 -12.388 -3.209 -1.977 1.00 0.52 C ATOM 1205 C ALA A 81 -12.959 -1.857 -1.588 1.00 0.51 C ATOM 1206 O ALA A 81 -14.090 -1.757 -1.112 1.00 0.60 O ATOM 1207 CB ALA A 81 -11.471 -3.712 -0.863 1.00 0.59 C ATOM 0 H ALA A 81 -10.648 -3.254 -3.159 1.00 0.44 H new ATOM 0 HA ALA A 81 -13.212 -3.909 -2.113 1.00 0.52 H new ATOM 0 HB1 ALA A 81 -12.028 -3.762 0.072 1.00 0.59 H new ATOM 0 HB2 ALA A 81 -11.100 -4.705 -1.118 1.00 0.59 H new ATOM 0 HB3 ALA A 81 -10.630 -3.029 -0.748 1.00 0.59 H new ATOM 1213 N LEU A 82 -12.190 -0.833 -1.816 1.00 0.48 N ATOM 1214 CA LEU A 82 -12.542 0.516 -1.458 1.00 0.56 C ATOM 1215 C LEU A 82 -13.666 1.030 -2.366 1.00 0.59 C ATOM 1216 O LEU A 82 -14.529 1.771 -1.928 1.00 0.75 O ATOM 1217 CB LEU A 82 -11.268 1.386 -1.509 1.00 0.63 C ATOM 1218 CG LEU A 82 -11.350 2.823 -1.031 1.00 0.72 C ATOM 1219 CD1 LEU A 82 -12.033 2.918 0.325 1.00 1.42 C ATOM 1220 CD2 LEU A 82 -9.948 3.401 -0.941 1.00 1.10 C ATOM 0 H LEU A 82 -11.278 -0.911 -2.267 1.00 0.48 H new ATOM 0 HA LEU A 82 -12.934 0.561 -0.442 1.00 0.56 H new ATOM 0 HB2 LEU A 82 -10.501 0.884 -0.919 1.00 0.63 H new ATOM 0 HB3 LEU A 82 -10.918 1.400 -2.541 1.00 0.63 H new ATOM 0 HG LEU A 82 -11.944 3.391 -1.746 1.00 0.72 H new ATOM 0 HD11 LEU A 82 -12.075 3.961 0.639 1.00 1.42 H new ATOM 0 HD12 LEU A 82 -13.045 2.520 0.251 1.00 1.42 H new ATOM 0 HD13 LEU A 82 -11.469 2.341 1.058 1.00 1.42 H new ATOM 0 HD21 LEU A 82 -10.002 4.434 -0.598 1.00 1.10 H new ATOM 0 HD22 LEU A 82 -9.357 2.815 -0.237 1.00 1.10 H new ATOM 0 HD23 LEU A 82 -9.478 3.369 -1.924 1.00 1.10 H new ATOM 1232 N ALA A 83 -13.666 0.586 -3.621 1.00 0.57 N ATOM 1233 CA ALA A 83 -14.736 0.919 -4.563 1.00 0.67 C ATOM 1234 C ALA A 83 -16.075 0.304 -4.124 1.00 0.72 C ATOM 1235 O ALA A 83 -17.153 0.836 -4.434 1.00 0.85 O ATOM 1236 CB ALA A 83 -14.383 0.448 -5.964 1.00 0.76 C ATOM 0 H ALA A 83 -12.934 -0.008 -4.012 1.00 0.57 H new ATOM 0 HA ALA A 83 -14.843 2.004 -4.571 1.00 0.67 H new ATOM 0 HB1 ALA A 83 -15.191 0.705 -6.649 1.00 0.76 H new ATOM 0 HB2 ALA A 83 -13.463 0.933 -6.290 1.00 0.76 H new ATOM 0 HB3 ALA A 83 -14.241 -0.633 -5.960 1.00 0.76 H new ATOM 1242 N GLU A 84 -15.993 -0.814 -3.406 1.00 0.77 N ATOM 1243 CA GLU A 84 -17.169 -1.534 -2.925 1.00 0.95 C ATOM 1244 C GLU A 84 -17.784 -0.852 -1.709 1.00 1.08 C ATOM 1245 O GLU A 84 -18.971 -1.060 -1.402 1.00 1.35 O ATOM 1246 CB GLU A 84 -16.818 -2.983 -2.563 1.00 1.11 C ATOM 1247 CG GLU A 84 -16.362 -3.840 -3.726 1.00 1.33 C ATOM 1248 CD GLU A 84 -17.404 -3.941 -4.804 1.00 1.89 C ATOM 1249 OE1 GLU A 84 -18.373 -4.693 -4.635 1.00 2.24 O ATOM 1250 OE2 GLU A 84 -17.266 -3.259 -5.861 1.00 2.44 O ATOM 0 H GLU A 84 -15.108 -1.246 -3.141 1.00 0.77 H new ATOM 0 HA GLU A 84 -17.896 -1.530 -3.737 1.00 0.95 H new ATOM 0 HB2 GLU A 84 -16.032 -2.973 -1.808 1.00 1.11 H new ATOM 0 HB3 GLU A 84 -17.691 -3.450 -2.107 1.00 1.11 H new ATOM 0 HG2 GLU A 84 -15.447 -3.421 -4.146 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.119 -4.839 -3.365 1.00 1.33 H new ATOM 1257 N ALA A 85 -16.993 -0.051 -1.031 1.00 1.14 N ATOM 1258 CA ALA A 85 -17.439 0.634 0.161 1.00 1.38 C ATOM 1259 C ALA A 85 -18.291 1.823 -0.218 1.00 1.73 C ATOM 1260 O ALA A 85 -17.973 2.545 -1.166 1.00 2.12 O ATOM 1261 CB ALA A 85 -16.250 1.080 0.998 1.00 1.46 C ATOM 0 H ALA A 85 -16.026 0.143 -1.289 1.00 1.14 H new ATOM 0 HA ALA A 85 -18.037 -0.055 0.758 1.00 1.38 H new ATOM 0 HB1 ALA A 85 -16.606 1.594 1.891 1.00 1.46 H new ATOM 0 HB2 ALA A 85 -15.663 0.209 1.290 1.00 1.46 H new ATOM 0 HB3 ALA A 85 -15.627 1.757 0.414 1.00 1.46 H new ATOM 1267 N ALA A 86 -19.376 2.000 0.480 1.00 2.21 N ATOM 1268 CA ALA A 86 -20.265 3.102 0.254 1.00 2.74 C ATOM 1269 C ALA A 86 -20.953 3.431 1.555 1.00 3.28 C ATOM 1270 O ALA A 86 -22.071 2.944 1.791 1.00 3.60 O ATOM 1271 CB ALA A 86 -21.283 2.755 -0.829 1.00 3.25 C ATOM 1272 OXT ALA A 86 -20.333 4.104 2.403 1.00 3.84 O ATOM 0 H ALA A 86 -19.671 1.376 1.231 1.00 2.21 H new ATOM 0 HA ALA A 86 -19.704 3.970 -0.093 1.00 2.74 H new ATOM 0 HB1 ALA A 86 -21.949 3.603 -0.987 1.00 3.25 H new ATOM 0 HB2 ALA A 86 -20.762 2.525 -1.758 1.00 3.25 H new ATOM 0 HB3 ALA A 86 -21.866 1.889 -0.516 1.00 3.25 H new TER 1278 ALA A 86