USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 673 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 56 GLN : amide:sc= -0.547 K(o=-1,f=-0.35) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.5 K(o=-1,f=-0.35) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.16) USER MOD Single : A 1 ARG N :NH3+ -164:sc= 1.08 (180deg=0.614) USER MOD Single : A 5 GLN : amide:sc= 1.24 K(o=1.2,f=-7.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0184 USER MOD Single : A 15 MET CE :methyl 175:sc= -0.634 (180deg=-0.702) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.189 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 THR OG1 : rot 3:sc= 0.158 USER MOD Single : A 38 MET CE :methyl 168:sc= -0.0169 (180deg=-0.234) USER MOD Single : A 40 GLN : amide:sc= 0.0119 X(o=0.012,f=-0.019) USER MOD Single : A 43 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 92:sc= 0.555 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.616 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 27:sc= 0.0565 USER MOD Single : A 80 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.0014) USER MOD Single : A 81 TYR OH : rot 6:sc= 1.32 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.486 9.714 13.838 1.00 1.75 N ATOM 2 CA ARG A 1 -14.586 8.232 13.951 1.00 1.74 C ATOM 3 C ARG A 1 -15.910 7.673 13.422 1.00 1.77 C ATOM 4 O ARG A 1 -15.930 6.862 12.486 1.00 1.74 O ATOM 5 CB ARG A 1 -14.259 7.770 15.393 1.00 1.77 C ATOM 6 CG ARG A 1 -14.139 6.243 15.568 1.00 1.77 C ATOM 7 CD ARG A 1 -15.431 5.602 16.097 1.00 1.83 C ATOM 8 NE ARG A 1 -15.322 4.136 16.135 1.00 1.84 N ATOM 9 CZ ARG A 1 -14.881 3.365 17.106 1.00 1.86 C ATOM 10 NH1 ARG A 1 -14.447 3.832 18.241 1.00 1.89 N ATOM 11 NH2 ARG A 1 -14.878 2.080 16.922 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.494 10.005 13.951 1.00 1.75 H new ATOM 0 H2 ARG A 1 -14.831 10.015 12.904 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.063 10.158 14.580 1.00 1.75 H new ATOM 0 HA ARG A 1 -13.829 7.804 13.293 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.323 8.233 15.705 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.035 8.139 16.063 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -13.880 5.791 14.610 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.322 6.024 16.255 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -15.644 5.979 17.097 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.269 5.890 15.463 1.00 1.83 H new ATOM 0 HE ARG A 1 -15.631 3.650 15.293 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -14.439 4.838 18.409 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.115 3.192 18.963 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.212 1.690 16.041 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -14.541 1.460 17.659 1.00 1.87 H new ATOM 27 N ALA A 2 -17.025 8.067 14.044 1.00 1.84 N ATOM 28 CA ALA A 2 -18.326 7.438 13.789 1.00 1.89 C ATOM 29 C ALA A 2 -18.844 7.653 12.357 1.00 1.88 C ATOM 30 O ALA A 2 -19.404 6.735 11.762 1.00 1.89 O ATOM 31 CB ALA A 2 -19.326 7.956 14.830 1.00 1.97 C ATOM 0 H ALA A 2 -17.053 8.821 14.730 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.204 6.359 13.883 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.301 7.499 14.657 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -18.977 7.698 15.830 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.412 9.039 14.744 1.00 1.97 H new ATOM 37 N ASP A 3 -18.608 8.832 11.780 1.00 1.87 N ATOM 38 CA ASP A 3 -19.024 9.133 10.405 1.00 1.88 C ATOM 39 C ASP A 3 -18.163 8.419 9.346 1.00 1.81 C ATOM 40 O ASP A 3 -18.695 8.019 8.312 1.00 1.82 O ATOM 41 CB ASP A 3 -18.977 10.653 10.203 1.00 1.90 C ATOM 42 CG ASP A 3 -19.599 11.080 8.862 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.831 10.916 8.690 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.870 11.626 8.000 1.00 1.89 O ATOM 0 H ASP A 3 -18.127 9.601 12.246 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.039 8.759 10.268 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.507 11.143 11.020 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.942 10.992 10.246 1.00 1.90 H new ATOM 49 N GLU A 4 -16.875 8.173 9.631 1.00 1.74 N ATOM 50 CA GLU A 4 -16.027 7.377 8.733 1.00 1.68 C ATOM 51 C GLU A 4 -16.510 5.927 8.740 1.00 1.69 C ATOM 52 O GLU A 4 -16.729 5.336 7.684 1.00 1.68 O ATOM 53 CB GLU A 4 -14.555 7.427 9.166 1.00 1.62 C ATOM 54 CG GLU A 4 -13.957 8.841 9.220 1.00 1.61 C ATOM 55 CD GLU A 4 -14.003 9.415 10.645 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.094 9.791 11.139 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.956 9.446 11.330 1.00 1.62 O ATOM 0 H GLU A 4 -16.402 8.511 10.469 1.00 1.74 H new ATOM 0 HA GLU A 4 -16.100 7.796 7.729 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.463 6.969 10.151 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.965 6.822 8.477 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.925 8.815 8.870 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.507 9.496 8.544 1.00 1.61 H new ATOM 64 N GLN A 5 -16.775 5.378 9.933 1.00 1.72 N ATOM 65 CA GLN A 5 -17.340 4.032 10.030 1.00 1.75 C ATOM 66 C GLN A 5 -18.707 3.926 9.333 1.00 1.81 C ATOM 67 O GLN A 5 -18.897 3.026 8.516 1.00 1.81 O ATOM 68 CB GLN A 5 -17.391 3.534 11.481 1.00 1.78 C ATOM 69 CG GLN A 5 -15.980 3.223 12.024 1.00 1.73 C ATOM 70 CD GLN A 5 -15.983 2.034 12.980 1.00 1.77 C ATOM 71 OE1 GLN A 5 -15.904 2.169 14.195 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.079 0.823 12.477 1.00 1.77 N ATOM 0 H GLN A 5 -16.610 5.838 10.828 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.664 3.367 9.492 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -17.865 4.288 12.109 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.009 2.638 11.537 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.309 3.016 11.191 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.588 4.100 12.538 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.146 0.694 11.467 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.087 0.013 13.096 1.00 1.77 H new ATOM 81 N ALA A 6 -19.622 4.872 9.550 1.00 1.86 N ATOM 82 CA ALA A 6 -20.901 4.918 8.838 1.00 1.92 C ATOM 83 C ALA A 6 -20.718 4.964 7.309 1.00 1.90 C ATOM 84 O ALA A 6 -21.298 4.140 6.592 1.00 1.92 O ATOM 85 CB ALA A 6 -21.714 6.113 9.352 1.00 1.98 C ATOM 0 H ALA A 6 -19.498 5.628 10.224 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.448 3.997 9.041 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.669 6.156 8.828 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.892 5.999 10.421 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.160 7.034 9.173 1.00 1.98 H new ATOM 91 N PHE A 7 -19.855 5.849 6.792 1.00 1.85 N ATOM 92 CA PHE A 7 -19.606 5.935 5.352 1.00 1.83 C ATOM 93 C PHE A 7 -18.743 4.787 4.801 1.00 1.77 C ATOM 94 O PHE A 7 -18.802 4.534 3.592 1.00 1.78 O ATOM 95 CB PHE A 7 -19.158 7.352 4.936 1.00 1.82 C ATOM 96 CG PHE A 7 -17.691 7.764 5.003 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.732 7.152 4.170 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.317 8.907 5.738 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.422 7.651 4.103 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.999 9.398 5.687 1.00 1.69 C ATOM 101 CZ PHE A 7 -15.047 8.766 4.872 1.00 1.63 C ATOM 0 H PHE A 7 -19.320 6.513 7.351 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.562 5.776 4.853 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.485 7.501 3.907 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.716 8.057 5.552 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -17.008 6.292 3.578 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -18.051 9.412 6.348 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.698 7.176 3.457 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.720 10.260 6.274 1.00 1.69 H new ATOM 0 HZ PHE A 7 -14.032 9.134 4.836 1.00 1.63 H new ATOM 111 N LEU A 8 -18.058 4.005 5.658 1.00 1.73 N ATOM 112 CA LEU A 8 -17.392 2.797 5.143 1.00 1.69 C ATOM 113 C LEU A 8 -18.291 1.558 5.275 1.00 1.75 C ATOM 114 O LEU A 8 -18.043 0.565 4.598 1.00 1.73 O ATOM 115 CB LEU A 8 -16.035 2.601 5.847 1.00 1.63 C ATOM 116 CG LEU A 8 -14.814 2.700 4.921 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.687 1.435 4.080 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.795 3.944 4.027 1.00 1.55 C ATOM 0 H LEU A 8 -17.954 4.175 6.658 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.205 2.932 4.078 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.938 3.348 6.635 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.029 1.624 6.331 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.950 2.802 5.578 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.818 1.518 3.428 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.568 0.573 4.736 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.584 1.309 3.474 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.899 3.933 3.407 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.678 3.947 3.388 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.794 4.839 4.649 1.00 1.55 H new ATOM 130 N VAL A 9 -19.361 1.612 6.084 1.00 1.81 N ATOM 131 CA VAL A 9 -20.421 0.586 6.050 1.00 1.87 C ATOM 132 C VAL A 9 -21.291 0.797 4.802 1.00 1.92 C ATOM 133 O VAL A 9 -21.648 -0.167 4.117 1.00 1.94 O ATOM 134 CB VAL A 9 -21.255 0.599 7.349 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.542 -0.235 7.255 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.431 0.014 8.505 1.00 1.91 C ATOM 0 H VAL A 9 -19.517 2.352 6.768 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.965 -0.402 5.989 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.523 1.642 7.517 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.080 -0.182 8.202 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.172 0.158 6.457 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.288 -1.273 7.039 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.026 0.026 9.418 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.150 -1.012 8.269 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.531 0.612 8.650 1.00 1.91 H new ATOM 146 N ALA A 10 -21.554 2.057 4.439 1.00 1.93 N ATOM 147 CA ALA A 10 -22.178 2.385 3.158 1.00 1.97 C ATOM 148 C ALA A 10 -21.304 1.964 1.960 1.00 1.92 C ATOM 149 O ALA A 10 -21.814 1.315 1.036 1.00 1.96 O ATOM 150 CB ALA A 10 -22.490 3.887 3.133 1.00 1.99 C ATOM 0 H ALA A 10 -21.342 2.868 5.020 1.00 1.93 H new ATOM 0 HA ALA A 10 -23.105 1.820 3.061 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.956 4.146 2.182 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -23.170 4.131 3.949 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.566 4.453 3.250 1.00 1.99 H new ATOM 156 N LEU A 11 -19.985 2.243 1.995 1.00 1.84 N ATOM 157 CA LEU A 11 -19.073 1.669 0.998 1.00 1.80 C ATOM 158 C LEU A 11 -19.074 0.143 1.047 1.00 1.80 C ATOM 159 O LEU A 11 -19.126 -0.455 -0.015 1.00 1.82 O ATOM 160 CB LEU A 11 -17.632 2.186 1.114 1.00 1.71 C ATOM 161 CG LEU A 11 -16.694 1.571 0.042 1.00 1.67 C ATOM 162 CD1 LEU A 11 -17.077 1.911 -1.400 1.00 1.71 C ATOM 163 CD2 LEU A 11 -15.273 2.072 0.247 1.00 1.59 C ATOM 0 H LEU A 11 -19.541 2.847 2.686 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.461 2.002 0.035 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.629 3.272 1.015 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.245 1.955 2.107 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.785 0.493 0.175 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -16.370 1.442 -2.084 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -18.082 1.542 -1.606 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -17.052 2.992 -1.538 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.621 1.636 -0.509 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -15.254 3.158 0.160 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.924 1.782 1.238 1.00 1.59 H new ATOM 175 N TYR A 12 -19.042 -0.503 2.214 1.00 1.80 N ATOM 176 CA TYR A 12 -19.064 -1.968 2.310 1.00 1.81 C ATOM 177 C TYR A 12 -20.251 -2.565 1.549 1.00 1.89 C ATOM 178 O TYR A 12 -20.054 -3.488 0.755 1.00 1.89 O ATOM 179 CB TYR A 12 -19.054 -2.431 3.774 1.00 1.82 C ATOM 180 CG TYR A 12 -19.403 -3.895 3.974 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.634 -4.899 3.354 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.541 -4.249 4.729 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.006 -6.254 3.477 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.908 -5.600 4.862 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.145 -6.608 4.234 1.00 1.96 C ATOM 186 OH TYR A 12 -20.508 -7.915 4.345 1.00 2.02 O ATOM 0 H TYR A 12 -19.000 -0.030 3.117 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.154 -2.338 1.838 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.065 -2.246 4.194 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.759 -1.822 4.339 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.757 -4.631 2.783 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.132 -3.481 5.206 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.420 -7.021 2.992 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.776 -5.867 5.446 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.312 -7.985 4.901 1.00 2.02 H new ATOM 196 N LYS A 13 -21.454 -1.995 1.708 1.00 1.95 N ATOM 197 CA LYS A 13 -22.609 -2.386 0.889 1.00 2.03 C ATOM 198 C LYS A 13 -22.359 -2.128 -0.598 1.00 2.02 C ATOM 199 O LYS A 13 -22.419 -3.084 -1.378 1.00 2.05 O ATOM 200 CB LYS A 13 -23.881 -1.706 1.424 1.00 2.10 C ATOM 201 CG LYS A 13 -25.147 -2.212 0.712 1.00 2.18 C ATOM 202 CD LYS A 13 -26.437 -1.563 1.240 1.00 2.25 C ATOM 203 CE LYS A 13 -26.740 -1.963 2.692 1.00 2.27 C ATOM 204 NZ LYS A 13 -28.034 -1.395 3.155 1.00 2.34 N ATOM 0 H LYS A 13 -21.652 -1.265 2.393 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.760 -3.462 0.971 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.968 -1.891 2.495 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.798 -0.627 1.293 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -25.059 -2.014 -0.356 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.216 -3.293 0.832 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.348 -0.479 1.175 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.273 -1.853 0.604 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.769 -3.050 2.773 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.936 -1.616 3.341 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.208 -1.684 4.139 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.997 -0.357 3.101 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.804 -1.746 2.550 1.00 2.34 H new ATOM 218 N TYR A 14 -22.017 -0.900 -1.010 1.00 2.00 N ATOM 219 CA TYR A 14 -21.729 -0.649 -2.429 1.00 2.00 C ATOM 220 C TYR A 14 -20.620 -1.520 -3.049 1.00 1.95 C ATOM 221 O TYR A 14 -20.779 -1.999 -4.169 1.00 1.99 O ATOM 222 CB TYR A 14 -21.399 0.843 -2.585 1.00 1.98 C ATOM 223 CG TYR A 14 -21.361 1.321 -4.024 1.00 2.01 C ATOM 224 CD1 TYR A 14 -22.567 1.601 -4.694 1.00 2.10 C ATOM 225 CD2 TYR A 14 -20.130 1.477 -4.694 1.00 1.96 C ATOM 226 CE1 TYR A 14 -22.551 2.034 -6.033 1.00 2.14 C ATOM 227 CE2 TYR A 14 -20.110 1.902 -6.038 1.00 1.99 C ATOM 228 CZ TYR A 14 -21.321 2.180 -6.710 1.00 2.09 C ATOM 229 OH TYR A 14 -21.297 2.557 -8.018 1.00 2.13 O ATOM 0 H TYR A 14 -21.934 -0.086 -0.401 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.621 -0.933 -2.987 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -22.140 1.427 -2.039 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -20.432 1.041 -2.122 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -23.509 1.483 -4.178 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -19.204 1.271 -4.178 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -23.478 2.254 -6.542 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -19.168 2.015 -6.554 1.00 1.99 H new ATOM 0 HH TYR A 14 -20.368 2.610 -8.326 1.00 2.13 H new ATOM 239 N MET A 15 -19.517 -1.774 -2.339 1.00 1.88 N ATOM 240 CA MET A 15 -18.398 -2.559 -2.853 1.00 1.83 C ATOM 241 C MET A 15 -18.708 -4.062 -2.863 1.00 1.86 C ATOM 242 O MET A 15 -18.277 -4.762 -3.781 1.00 1.86 O ATOM 243 CB MET A 15 -17.074 -2.180 -2.180 1.00 1.74 C ATOM 244 CG MET A 15 -16.880 -2.696 -0.755 1.00 1.72 C ATOM 245 SD MET A 15 -15.482 -1.960 0.143 1.00 1.62 S ATOM 246 CE MET A 15 -14.123 -2.139 -1.049 1.00 1.57 C ATOM 0 H MET A 15 -19.377 -1.437 -1.386 1.00 1.88 H new ATOM 0 HA MET A 15 -18.258 -2.299 -3.902 1.00 1.83 H new ATOM 0 HB2 MET A 15 -16.256 -2.553 -2.796 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.993 -1.093 -2.167 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.794 -2.511 -0.190 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.741 -3.776 -0.791 1.00 1.72 H new ATOM 0 HE1 MET A 15 -13.231 -1.649 -0.660 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.916 -3.197 -1.208 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.406 -1.679 -1.996 1.00 1.57 H new ATOM 256 N LYS A 16 -19.537 -4.567 -1.930 1.00 1.90 N ATOM 257 CA LYS A 16 -20.083 -5.932 -2.025 1.00 1.96 C ATOM 258 C LYS A 16 -21.001 -6.079 -3.249 1.00 2.03 C ATOM 259 O LYS A 16 -20.899 -7.068 -3.973 1.00 2.05 O ATOM 260 CB LYS A 16 -20.780 -6.291 -0.703 1.00 1.99 C ATOM 261 CG LYS A 16 -21.236 -7.756 -0.665 1.00 2.05 C ATOM 262 CD LYS A 16 -21.437 -8.227 0.781 1.00 2.07 C ATOM 263 CE LYS A 16 -21.942 -9.673 0.801 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.819 -10.265 2.157 1.00 2.15 N ATOM 0 H LYS A 16 -19.842 -4.051 -1.105 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.272 -6.644 -2.178 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.099 -6.103 0.127 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.643 -5.640 -0.561 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.167 -7.866 -1.221 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.495 -8.385 -1.157 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.497 -8.155 1.329 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.152 -7.578 1.287 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.984 -9.702 0.482 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.373 -10.270 0.088 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.502 -11.043 2.260 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.855 -10.631 2.290 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.014 -9.536 2.873 1.00 2.15 H new ATOM 278 N GLU A 17 -21.784 -5.043 -3.559 1.00 2.07 N ATOM 279 CA GLU A 17 -22.540 -4.960 -4.828 1.00 2.13 C ATOM 280 C GLU A 17 -21.642 -4.704 -6.074 1.00 2.10 C ATOM 281 O GLU A 17 -22.139 -4.637 -7.201 1.00 2.16 O ATOM 282 CB GLU A 17 -23.632 -3.883 -4.663 1.00 2.18 C ATOM 283 CG GLU A 17 -24.808 -4.030 -5.637 1.00 2.27 C ATOM 284 CD GLU A 17 -25.946 -3.053 -5.282 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.951 -1.906 -5.793 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.855 -3.428 -4.502 1.00 2.37 O ATOM 0 H GLU A 17 -21.917 -4.238 -2.947 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.997 -5.930 -5.026 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -24.013 -3.920 -3.642 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -23.181 -2.900 -4.800 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -24.467 -3.842 -6.655 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -25.181 -5.054 -5.610 1.00 2.27 H new ATOM 293 N ARG A 18 -20.317 -4.585 -5.883 1.00 2.02 N ATOM 294 CA ARG A 18 -19.337 -4.466 -6.988 1.00 1.99 C ATOM 295 C ARG A 18 -18.315 -5.621 -6.997 1.00 1.95 C ATOM 296 O ARG A 18 -17.241 -5.503 -7.591 1.00 1.90 O ATOM 297 CB ARG A 18 -18.697 -3.052 -6.997 1.00 1.94 C ATOM 298 CG ARG A 18 -19.457 -2.043 -7.877 1.00 2.01 C ATOM 299 CD ARG A 18 -20.729 -1.472 -7.241 1.00 2.06 C ATOM 300 NE ARG A 18 -21.534 -0.730 -8.229 1.00 2.13 N ATOM 301 CZ ARG A 18 -22.510 -1.209 -8.982 1.00 2.22 C ATOM 302 NH1 ARG A 18 -22.899 -2.453 -8.933 1.00 2.24 N ATOM 303 NH2 ARG A 18 -23.121 -0.427 -9.825 1.00 2.28 N ATOM 0 H ARG A 18 -19.889 -4.568 -4.957 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.870 -4.571 -7.933 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -18.656 -2.673 -5.976 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -17.669 -3.129 -7.350 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -18.788 -1.218 -8.122 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -19.723 -2.528 -8.816 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -21.323 -2.283 -6.819 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -20.461 -0.811 -6.417 1.00 2.06 H new ATOM 0 HE ARG A 18 -21.314 0.259 -8.344 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -22.445 -3.104 -8.293 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -23.657 -2.774 -9.535 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -22.846 0.552 -9.903 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -23.874 -0.794 -10.407 1.00 2.28 H new ATOM 317 N LYS A 19 -18.649 -6.755 -6.357 1.00 1.97 N ATOM 318 CA LYS A 19 -17.868 -8.013 -6.303 1.00 1.95 C ATOM 319 C LYS A 19 -16.515 -7.827 -5.607 1.00 1.86 C ATOM 320 O LYS A 19 -15.584 -8.619 -5.791 1.00 1.84 O ATOM 321 CB LYS A 19 -17.763 -8.662 -7.702 1.00 1.99 C ATOM 322 CG LYS A 19 -19.133 -8.908 -8.356 1.00 2.09 C ATOM 323 CD LYS A 19 -18.982 -9.575 -9.729 1.00 2.13 C ATOM 324 CE LYS A 19 -20.358 -9.771 -10.376 1.00 2.22 C ATOM 325 NZ LYS A 19 -20.249 -10.394 -11.723 1.00 2.27 N ATOM 0 H LYS A 19 -19.520 -6.827 -5.832 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.412 -8.720 -5.677 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -17.167 -8.019 -8.350 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -17.232 -9.610 -7.617 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.740 -9.539 -7.707 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -19.662 -7.961 -8.465 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -18.353 -8.960 -10.373 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -18.482 -10.538 -9.621 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.976 -10.398 -9.734 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.861 -8.808 -10.460 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -21.199 -10.511 -12.129 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -19.680 -9.783 -12.343 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -19.792 -11.324 -11.639 1.00 2.27 H new ATOM 339 N THR A 20 -16.433 -6.785 -4.776 1.00 1.82 N ATOM 340 CA THR A 20 -15.196 -6.409 -4.091 1.00 1.73 C ATOM 341 C THR A 20 -15.467 -6.070 -2.614 1.00 1.72 C ATOM 342 O THR A 20 -15.172 -4.959 -2.183 1.00 1.68 O ATOM 343 CB THR A 20 -14.464 -5.266 -4.843 1.00 1.69 C ATOM 344 OG1 THR A 20 -14.414 -5.512 -6.234 1.00 1.72 O ATOM 345 CG2 THR A 20 -13.001 -5.106 -4.417 1.00 1.61 C ATOM 0 H THR A 20 -17.224 -6.178 -4.560 1.00 1.82 H new ATOM 0 HA THR A 20 -14.523 -7.266 -4.099 1.00 1.73 H new ATOM 0 HB THR A 20 -15.038 -4.373 -4.598 1.00 1.69 H new ATOM 0 HG1 THR A 20 -15.312 -5.420 -6.615 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.545 -4.291 -4.979 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.955 -4.882 -3.351 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.461 -6.031 -4.617 1.00 1.61 H new ATOM 353 N PRO A 21 -16.087 -6.967 -1.818 1.00 1.76 N ATOM 354 CA PRO A 21 -16.400 -6.702 -0.408 1.00 1.76 C ATOM 355 C PRO A 21 -15.141 -6.566 0.466 1.00 1.69 C ATOM 356 O PRO A 21 -14.086 -7.113 0.147 1.00 1.66 O ATOM 357 CB PRO A 21 -17.252 -7.897 0.037 1.00 1.84 C ATOM 358 CG PRO A 21 -16.752 -9.039 -0.843 1.00 1.85 C ATOM 359 CD PRO A 21 -16.472 -8.331 -2.166 1.00 1.82 C ATOM 0 HA PRO A 21 -16.920 -5.750 -0.297 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.114 -8.116 1.096 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.315 -7.710 -0.114 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.856 -9.506 -0.434 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.499 -9.825 -0.953 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.676 -8.833 -2.716 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.354 -8.336 -2.806 1.00 1.82 H new ATOM 367 N ILE A 22 -15.275 -5.937 1.639 1.00 1.68 N ATOM 368 CA ILE A 22 -14.208 -5.949 2.674 1.00 1.64 C ATOM 369 C ILE A 22 -13.889 -7.398 3.128 1.00 1.67 C ATOM 370 O ILE A 22 -12.781 -7.706 3.558 1.00 1.64 O ATOM 371 CB ILE A 22 -14.601 -4.990 3.831 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.665 -3.547 3.292 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.624 -5.078 5.020 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.122 -2.490 4.305 1.00 1.62 C ATOM 0 H ILE A 22 -16.107 -5.411 1.905 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.274 -5.572 2.257 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.579 -5.293 4.205 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.677 -3.270 2.923 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.342 -3.525 2.438 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -13.941 -4.389 5.803 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.618 -6.095 5.412 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.621 -4.812 4.687 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.133 -1.510 3.828 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.124 -2.733 4.658 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.434 -2.474 5.150 1.00 1.62 H new ATOM 386 N GLU A 23 -14.854 -8.300 2.924 1.00 1.74 N ATOM 387 CA GLU A 23 -14.644 -9.756 3.061 1.00 1.78 C ATOM 388 C GLU A 23 -13.477 -10.341 2.214 1.00 1.75 C ATOM 389 O GLU A 23 -13.049 -11.466 2.489 1.00 1.78 O ATOM 390 CB GLU A 23 -15.948 -10.521 2.778 1.00 1.87 C ATOM 391 CG GLU A 23 -17.078 -10.151 3.747 1.00 1.91 C ATOM 392 CD GLU A 23 -18.311 -11.043 3.518 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.131 -10.724 2.626 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.471 -12.067 4.228 1.00 2.06 O ATOM 0 H GLU A 23 -15.806 -8.047 2.659 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.341 -9.898 4.098 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.270 -10.316 1.757 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.757 -11.592 2.843 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.731 -10.259 4.775 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.351 -9.104 3.611 1.00 1.91 H new ATOM 401 N ARG A 24 -12.909 -9.597 1.240 1.00 1.69 N ATOM 402 CA ARG A 24 -11.670 -9.951 0.501 1.00 1.65 C ATOM 403 C ARG A 24 -10.474 -9.014 0.783 1.00 1.57 C ATOM 404 O ARG A 24 -9.456 -9.082 0.092 1.00 1.53 O ATOM 405 CB ARG A 24 -11.970 -10.156 -1.003 1.00 1.67 C ATOM 406 CG ARG A 24 -11.941 -8.888 -1.882 1.00 1.62 C ATOM 407 CD ARG A 24 -12.535 -9.129 -3.279 1.00 1.67 C ATOM 408 NE ARG A 24 -11.740 -10.078 -4.080 1.00 1.67 N ATOM 409 CZ ARG A 24 -12.032 -10.540 -5.288 1.00 1.72 C ATOM 410 NH1 ARG A 24 -13.111 -10.202 -5.938 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.219 -11.368 -5.878 1.00 1.72 N ATOM 0 H ARG A 24 -13.308 -8.709 0.935 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.328 -10.909 0.894 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.247 -10.867 -1.403 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.954 -10.616 -1.097 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.497 -8.093 -1.386 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.912 -8.542 -1.982 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.551 -9.509 -3.176 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.602 -8.179 -3.810 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.874 -10.415 -3.660 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.777 -9.553 -5.518 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -13.289 -10.586 -6.866 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.360 -11.659 -5.411 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.441 -11.725 -6.807 1.00 1.72 H new ATOM 425 N ILE A 25 -10.578 -8.169 1.812 1.00 1.55 N ATOM 426 CA ILE A 25 -9.597 -7.152 2.235 1.00 1.48 C ATOM 427 C ILE A 25 -9.324 -7.334 3.750 1.00 1.49 C ATOM 428 O ILE A 25 -9.851 -6.589 4.581 1.00 1.50 O ATOM 429 CB ILE A 25 -10.077 -5.719 1.874 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.643 -5.600 0.437 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.886 -4.758 2.045 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.209 -4.214 0.102 1.00 1.45 C ATOM 0 H ILE A 25 -11.401 -8.173 2.414 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.659 -7.288 1.696 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.899 -5.465 2.544 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.853 -5.840 -0.275 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.429 -6.344 0.304 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.198 -3.744 1.797 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.539 -4.789 3.078 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.076 -5.061 1.381 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.585 -4.212 -0.921 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.022 -3.977 0.788 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.422 -3.466 0.200 1.00 1.45 H new ATOM 444 N PRO A 26 -8.589 -8.391 4.129 1.00 1.53 N ATOM 445 CA PRO A 26 -8.404 -8.747 5.541 1.00 1.57 C ATOM 446 C PRO A 26 -7.685 -7.734 6.434 1.00 1.52 C ATOM 447 O PRO A 26 -8.296 -7.208 7.369 1.00 1.50 O ATOM 448 CB PRO A 26 -7.655 -10.081 5.491 1.00 1.62 C ATOM 449 CG PRO A 26 -7.025 -10.144 4.143 1.00 1.59 C ATOM 450 CD PRO A 26 -7.869 -9.302 3.222 1.00 1.55 C ATOM 0 HA PRO A 26 -9.381 -8.786 6.023 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -6.902 -10.136 6.277 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -8.337 -10.918 5.643 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.002 -9.770 4.178 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -6.976 -11.173 3.788 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.254 -8.752 2.509 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.559 -9.915 2.642 1.00 1.55 H new ATOM 458 N TYR A 27 -6.411 -7.445 6.179 1.00 1.52 N ATOM 459 CA TYR A 27 -5.676 -6.537 7.067 1.00 1.49 C ATOM 460 C TYR A 27 -4.922 -5.427 6.349 1.00 1.38 C ATOM 461 O TYR A 27 -4.900 -5.334 5.125 1.00 1.34 O ATOM 462 CB TYR A 27 -4.644 -7.320 7.901 1.00 1.61 C ATOM 463 CG TYR A 27 -4.792 -8.833 7.895 1.00 1.65 C ATOM 464 CD1 TYR A 27 -4.396 -9.599 6.800 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.301 -9.495 9.002 1.00 1.91 C ATOM 466 CE1 TYR A 27 -4.514 -10.978 6.811 1.00 2.09 C ATOM 467 CE2 TYR A 27 -5.417 -10.874 9.023 1.00 2.21 C ATOM 468 CZ TYR A 27 -5.023 -11.611 7.924 1.00 2.29 C ATOM 469 OH TYR A 27 -5.136 -12.985 7.939 1.00 2.75 O ATOM 0 H TYR A 27 -5.876 -7.811 5.391 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.445 -6.077 7.687 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -3.647 -7.071 7.536 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.702 -6.973 8.933 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -3.990 -9.108 5.928 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -5.613 -8.924 9.864 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -4.208 -11.555 5.951 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -5.814 -11.372 9.895 1.00 2.21 H new ATOM 0 HH TYR A 27 -5.512 -13.273 8.797 1.00 2.75 H new ATOM 479 N LEU A 28 -4.305 -4.593 7.185 1.00 1.39 N ATOM 480 CA LEU A 28 -3.441 -3.496 6.772 1.00 1.35 C ATOM 481 C LEU A 28 -2.092 -4.141 6.459 1.00 1.35 C ATOM 482 O LEU A 28 -1.877 -5.271 6.891 1.00 1.38 O ATOM 483 CB LEU A 28 -3.339 -2.488 7.924 1.00 1.42 C ATOM 484 CG LEU A 28 -2.570 -1.190 7.682 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.487 -0.138 7.081 1.00 1.58 C ATOM 486 CD2 LEU A 28 -1.980 -0.685 8.994 1.00 1.77 C ATOM 0 H LEU A 28 -4.398 -4.667 8.198 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.814 -2.953 5.903 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.352 -2.223 8.225 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -2.877 -2.996 8.771 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.759 -1.386 6.980 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.926 0.781 6.914 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -3.882 -0.499 6.132 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.312 0.060 7.766 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -1.433 0.241 8.815 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -2.784 -0.499 9.707 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -1.301 -1.435 9.400 1.00 1.77 H new ATOM 583 N ASN A 34 -8.001 -1.331 9.997 1.00 1.56 N ATOM 584 CA ASN A 34 -8.291 0.013 10.553 1.00 1.58 C ATOM 585 C ASN A 34 -8.381 1.105 9.465 1.00 1.57 C ATOM 586 O ASN A 34 -7.414 1.828 9.215 1.00 1.91 O ATOM 587 CB ASN A 34 -7.223 0.372 11.590 1.00 1.60 C ATOM 588 CG ASN A 34 -7.133 -0.667 12.694 1.00 1.73 C ATOM 589 OD1 ASN A 34 -8.134 -1.278 13.070 1.00 2.14 O ATOM 590 ND2 ASN A 34 -5.931 -0.877 13.215 1.00 2.10 N ATOM 0 HA ASN A 34 -9.272 -0.029 11.026 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -6.255 0.463 11.097 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -7.452 1.345 12.025 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -5.810 -1.567 13.957 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -5.128 -0.349 12.874 1.00 2.10 H new ATOM 597 N LEU A 35 -9.558 1.225 8.840 1.00 1.38 N ATOM 598 CA LEU A 35 -9.782 2.187 7.747 1.00 1.34 C ATOM 599 C LEU A 35 -9.665 3.657 8.169 1.00 1.32 C ATOM 600 O LEU A 35 -8.796 4.367 7.665 1.00 1.28 O ATOM 601 CB LEU A 35 -11.155 1.941 7.106 1.00 1.40 C ATOM 602 CG LEU A 35 -11.442 2.707 5.800 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.967 4.109 6.085 1.00 1.47 C ATOM 604 CD2 LEU A 35 -10.206 2.781 4.918 1.00 1.52 C ATOM 0 H LEU A 35 -10.378 0.664 9.073 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.982 2.013 7.027 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.254 0.874 6.906 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.924 2.202 7.833 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.213 2.152 5.265 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -12.160 4.624 5.144 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.892 4.042 6.658 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -11.225 4.666 6.658 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -10.443 3.328 4.005 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.408 3.296 5.453 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.880 1.773 4.663 1.00 1.52 H new ATOM 616 N TRP A 36 -10.558 4.117 9.056 1.00 1.37 N ATOM 617 CA TRP A 36 -10.567 5.522 9.500 1.00 1.37 C ATOM 618 C TRP A 36 -9.162 6.009 9.940 1.00 1.32 C ATOM 619 O TRP A 36 -8.854 7.194 9.829 1.00 1.31 O ATOM 620 CB TRP A 36 -11.585 5.737 10.631 1.00 1.45 C ATOM 621 CG TRP A 36 -11.603 4.657 11.676 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.242 3.453 11.595 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.980 4.696 12.967 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.042 2.734 12.748 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.273 3.475 13.606 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.197 5.637 13.643 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.815 3.176 14.887 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -9.744 5.338 14.915 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.053 4.115 15.525 1.00 1.66 C ATOM 0 H TRP A 36 -11.283 3.539 9.481 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.866 6.120 8.639 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.372 6.689 11.116 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.581 5.817 10.194 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.820 3.115 10.748 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.407 1.800 12.935 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -9.950 6.581 13.180 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.054 2.235 15.360 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.142 6.059 15.447 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -9.682 3.910 16.518 1.00 1.66 H new ATOM 640 N THR A 37 -8.325 5.081 10.428 1.00 1.32 N ATOM 641 CA THR A 37 -6.951 5.381 10.877 1.00 1.29 C ATOM 642 C THR A 37 -5.992 5.630 9.709 1.00 1.23 C ATOM 643 O THR A 37 -5.316 6.655 9.707 1.00 1.21 O ATOM 644 CB THR A 37 -6.392 4.263 11.773 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.204 4.109 12.916 1.00 1.41 O ATOM 646 CG2 THR A 37 -4.985 4.556 12.299 1.00 1.35 C ATOM 0 H THR A 37 -8.580 4.098 10.524 1.00 1.32 H new ATOM 0 HA THR A 37 -7.022 6.301 11.457 1.00 1.29 H new ATOM 0 HB THR A 37 -6.370 3.373 11.144 1.00 1.34 H new ATOM 0 HG1 THR A 37 -7.971 4.715 12.856 1.00 1.41 H new ATOM 0 HG21 THR A 37 -4.650 3.728 12.924 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.300 4.677 11.459 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.001 5.472 12.889 1.00 1.35 H new ATOM 654 N MET A 38 -5.942 4.763 8.686 1.00 1.20 N ATOM 655 CA MET A 38 -5.118 5.052 7.491 1.00 1.15 C ATOM 656 C MET A 38 -5.603 6.306 6.739 1.00 1.13 C ATOM 657 O MET A 38 -4.793 7.031 6.165 1.00 1.11 O ATOM 658 CB MET A 38 -4.984 3.846 6.544 1.00 1.14 C ATOM 659 CG MET A 38 -6.302 3.307 5.984 1.00 1.17 C ATOM 660 SD MET A 38 -6.141 2.426 4.407 1.00 1.17 S ATOM 661 CE MET A 38 -6.871 0.817 4.812 1.00 1.25 C ATOM 0 H MET A 38 -6.446 3.877 8.655 1.00 1.20 H new ATOM 0 HA MET A 38 -4.117 5.262 7.869 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.342 4.129 5.710 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.478 3.041 7.077 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.747 2.635 6.718 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.994 4.139 5.853 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.035 0.251 3.895 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.194 0.264 5.464 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.823 0.967 5.321 1.00 1.25 H new ATOM 671 N PHE A 39 -6.908 6.593 6.805 1.00 1.17 N ATOM 672 CA PHE A 39 -7.468 7.838 6.287 1.00 1.19 C ATOM 673 C PHE A 39 -6.947 9.064 7.036 1.00 1.20 C ATOM 674 O PHE A 39 -6.291 9.902 6.419 1.00 1.20 O ATOM 675 CB PHE A 39 -8.997 7.795 6.294 1.00 1.25 C ATOM 676 CG PHE A 39 -9.613 9.092 5.797 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.431 9.485 4.457 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.323 9.928 6.681 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.970 10.697 3.994 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.849 11.149 6.221 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.670 11.535 4.881 1.00 1.44 C ATOM 0 H PHE A 39 -7.600 5.968 7.218 1.00 1.17 H new ATOM 0 HA PHE A 39 -7.133 7.934 5.254 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.338 6.970 5.668 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.348 7.593 7.306 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.874 8.852 3.782 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.463 9.632 7.710 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.847 10.984 2.960 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.392 11.791 6.899 1.00 1.43 H new ATOM 0 HZ PHE A 39 -11.070 12.476 4.532 1.00 1.44 H new ATOM 691 N GLN A 40 -7.168 9.183 8.354 1.00 1.24 N ATOM 692 CA GLN A 40 -6.668 10.363 9.083 1.00 1.27 C ATOM 693 C GLN A 40 -5.129 10.471 9.061 1.00 1.25 C ATOM 694 O GLN A 40 -4.597 11.582 9.058 1.00 1.28 O ATOM 695 CB GLN A 40 -7.253 10.413 10.505 1.00 1.33 C ATOM 696 CG GLN A 40 -6.641 9.372 11.452 1.00 1.33 C ATOM 697 CD GLN A 40 -7.491 9.148 12.696 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.223 9.654 13.777 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.538 8.362 12.585 1.00 1.40 N ATOM 0 H GLN A 40 -7.672 8.503 8.923 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.021 11.249 8.555 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.095 11.408 10.920 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.330 10.257 10.452 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.522 8.427 10.921 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.644 9.697 11.750 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.765 7.938 11.685 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.124 8.176 13.399 1.00 1.40 H new ATOM 708 N ALA A 41 -4.411 9.346 8.958 1.00 1.21 N ATOM 709 CA ALA A 41 -2.973 9.331 8.704 1.00 1.20 C ATOM 710 C ALA A 41 -2.630 9.943 7.336 1.00 1.18 C ATOM 711 O ALA A 41 -1.851 10.893 7.275 1.00 1.21 O ATOM 712 CB ALA A 41 -2.453 7.896 8.827 1.00 1.18 C ATOM 0 H ALA A 41 -4.819 8.416 9.050 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.477 9.952 9.450 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.380 7.881 8.638 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.650 7.523 9.832 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.959 7.262 8.099 1.00 1.18 H new ATOM 718 N ALA A 42 -3.256 9.486 6.248 1.00 1.14 N ATOM 719 CA ALA A 42 -3.078 10.077 4.920 1.00 1.14 C ATOM 720 C ALA A 42 -3.425 11.573 4.890 1.00 1.20 C ATOM 721 O ALA A 42 -2.709 12.349 4.269 1.00 1.23 O ATOM 722 CB ALA A 42 -3.905 9.290 3.897 1.00 1.11 C ATOM 0 H ALA A 42 -3.901 8.696 6.264 1.00 1.14 H new ATOM 0 HA ALA A 42 -2.022 10.009 4.658 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.774 9.729 2.908 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.572 8.252 3.881 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.959 9.329 4.174 1.00 1.11 H new ATOM 728 N GLN A 43 -4.468 11.997 5.613 1.00 1.23 N ATOM 729 CA GLN A 43 -4.867 13.408 5.672 1.00 1.31 C ATOM 730 C GLN A 43 -3.850 14.278 6.441 1.00 1.35 C ATOM 731 O GLN A 43 -3.730 15.471 6.161 1.00 1.42 O ATOM 732 CB GLN A 43 -6.282 13.551 6.260 1.00 1.35 C ATOM 733 CG GLN A 43 -7.389 12.939 5.376 1.00 1.35 C ATOM 734 CD GLN A 43 -7.428 13.493 3.951 1.00 1.38 C ATOM 735 OE1 GLN A 43 -7.404 14.693 3.712 1.00 1.45 O ATOM 736 NE2 GLN A 43 -7.471 12.645 2.943 1.00 1.35 N ATOM 0 H GLN A 43 -5.056 11.377 6.170 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.881 13.780 4.647 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.308 13.075 7.240 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.496 14.609 6.414 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -7.247 11.859 5.331 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -8.355 13.114 5.849 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -7.492 11.641 3.122 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -7.484 12.993 1.984 1.00 1.35 H new ATOM 745 N LYS A 44 -3.067 13.667 7.343 1.00 1.33 N ATOM 746 CA LYS A 44 -1.939 14.348 8.000 1.00 1.39 C ATOM 747 C LYS A 44 -0.721 14.399 7.077 1.00 1.39 C ATOM 748 O LYS A 44 -0.136 15.465 6.883 1.00 1.45 O ATOM 749 CB LYS A 44 -1.635 13.630 9.326 1.00 1.39 C ATOM 750 CG LYS A 44 -0.646 14.412 10.201 1.00 1.47 C ATOM 751 CD LYS A 44 -0.245 13.647 11.471 1.00 1.49 C ATOM 752 CE LYS A 44 -1.456 13.239 12.322 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.025 12.653 13.615 1.00 1.53 N ATOM 0 H LYS A 44 -3.195 12.698 7.636 1.00 1.33 H new ATOM 0 HA LYS A 44 -2.203 15.383 8.217 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.564 13.481 9.877 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.227 12.641 9.116 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.248 14.637 9.620 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.092 15.366 10.482 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.315 12.755 11.191 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.422 14.268 12.069 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.086 14.110 12.505 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.062 12.516 11.775 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.862 12.386 14.171 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.444 11.809 13.437 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.467 13.353 14.144 1.00 1.53 H new ATOM 767 N LEU A 45 -0.407 13.264 6.448 1.00 1.32 N ATOM 768 CA LEU A 45 0.642 13.184 5.423 1.00 1.32 C ATOM 769 C LEU A 45 0.260 13.838 4.054 1.00 1.34 C ATOM 770 O LEU A 45 0.983 13.651 3.073 1.00 1.34 O ATOM 771 CB LEU A 45 1.150 11.713 5.323 1.00 1.27 C ATOM 772 CG LEU A 45 2.016 11.120 6.476 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.117 12.083 6.930 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.230 10.698 7.716 1.00 1.29 C ATOM 0 H LEU A 45 -0.871 12.375 6.633 1.00 1.32 H new ATOM 0 HA LEU A 45 1.478 13.806 5.742 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.275 11.072 5.209 1.00 1.27 H new ATOM 0 HB3 LEU A 45 1.729 11.629 4.403 1.00 1.27 H new ATOM 0 HG LEU A 45 2.445 10.225 6.026 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.692 11.625 7.734 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.777 12.303 6.091 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.666 13.008 7.289 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.916 10.298 8.463 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.709 11.562 8.128 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.504 9.932 7.443 1.00 1.29 H new ATOM 786 N GLY A 46 -0.829 14.629 3.983 1.00 1.36 N ATOM 787 CA GLY A 46 -1.091 15.497 2.803 1.00 1.42 C ATOM 788 C GLY A 46 -2.167 15.030 1.800 1.00 1.40 C ATOM 789 O GLY A 46 -2.141 15.400 0.623 1.00 1.44 O ATOM 0 H GLY A 46 -1.537 14.690 4.715 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -1.377 16.484 3.168 1.00 1.42 H new ATOM 0 HA3 GLY A 46 -0.154 15.617 2.259 1.00 1.42 H new ATOM 793 N GLY A 47 -3.099 14.216 2.292 1.00 1.34 N ATOM 794 CA GLY A 47 -4.070 13.502 1.466 1.00 1.32 C ATOM 795 C GLY A 47 -3.436 12.539 0.459 1.00 1.28 C ATOM 796 O GLY A 47 -2.219 12.514 0.248 1.00 1.27 O ATOM 0 H GLY A 47 -3.202 14.031 3.290 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -4.743 12.942 2.115 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -4.678 14.228 0.927 1.00 1.32 H new ATOM 800 N TYR A 48 -4.290 11.770 -0.222 1.00 1.27 N ATOM 801 CA TYR A 48 -3.863 10.935 -1.354 1.00 1.26 C ATOM 802 C TYR A 48 -3.089 11.710 -2.442 1.00 1.32 C ATOM 803 O TYR A 48 -2.318 11.118 -3.199 1.00 1.31 O ATOM 804 CB TYR A 48 -5.093 10.236 -1.943 1.00 1.28 C ATOM 805 CG TYR A 48 -4.772 9.069 -2.862 1.00 1.26 C ATOM 806 CD1 TYR A 48 -4.456 7.813 -2.311 1.00 1.20 C ATOM 807 CD2 TYR A 48 -4.800 9.236 -4.260 1.00 1.33 C ATOM 808 CE1 TYR A 48 -4.202 6.713 -3.152 1.00 1.21 C ATOM 809 CE2 TYR A 48 -4.528 8.142 -5.104 1.00 1.33 C ATOM 810 CZ TYR A 48 -4.240 6.877 -4.552 1.00 1.27 C ATOM 811 OH TYR A 48 -4.006 5.822 -5.378 1.00 1.29 O ATOM 0 H TYR A 48 -5.286 11.707 -0.010 1.00 1.27 H new ATOM 0 HA TYR A 48 -3.154 10.200 -0.972 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -5.718 9.877 -1.125 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -5.681 10.968 -2.497 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -4.408 7.693 -1.239 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -5.030 10.202 -4.684 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.979 5.746 -2.726 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -4.540 8.272 -6.176 1.00 1.33 H new ATOM 0 HH TYR A 48 -4.074 6.115 -6.311 1.00 1.29 H new ATOM 821 N GLU A 49 -3.247 13.037 -2.519 1.00 1.39 N ATOM 822 CA GLU A 49 -2.604 13.840 -3.571 1.00 1.47 C ATOM 823 C GLU A 49 -1.115 14.085 -3.304 1.00 1.46 C ATOM 824 O GLU A 49 -0.292 13.828 -4.186 1.00 1.48 O ATOM 825 CB GLU A 49 -3.354 15.167 -3.743 1.00 1.57 C ATOM 826 CG GLU A 49 -4.677 14.939 -4.487 1.00 1.61 C ATOM 827 CD GLU A 49 -5.554 16.198 -4.473 1.00 1.71 C ATOM 828 OE1 GLU A 49 -5.237 17.188 -5.177 1.00 1.80 O ATOM 829 OE2 GLU A 49 -6.589 16.183 -3.764 1.00 1.72 O ATOM 0 H GLU A 49 -3.814 13.579 -1.867 1.00 1.39 H new ATOM 0 HA GLU A 49 -2.658 13.269 -4.498 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -3.550 15.611 -2.767 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -2.735 15.873 -4.296 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -4.471 14.649 -5.517 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -5.218 14.113 -4.025 1.00 1.61 H new ATOM 836 N THR A 50 -0.732 14.491 -2.084 1.00 1.44 N ATOM 837 CA THR A 50 0.686 14.534 -1.687 1.00 1.45 C ATOM 838 C THR A 50 1.276 13.127 -1.674 1.00 1.37 C ATOM 839 O THR A 50 2.408 12.927 -2.112 1.00 1.40 O ATOM 840 CB THR A 50 0.899 15.199 -0.319 1.00 1.46 C ATOM 841 OG1 THR A 50 0.347 16.499 -0.322 1.00 1.54 O ATOM 842 CG2 THR A 50 2.377 15.363 0.043 1.00 1.50 C ATOM 0 H THR A 50 -1.380 14.793 -1.357 1.00 1.44 H new ATOM 0 HA THR A 50 1.201 15.145 -2.429 1.00 1.45 H new ATOM 0 HB THR A 50 0.417 14.542 0.406 1.00 1.46 H new ATOM 0 HG1 THR A 50 -0.580 16.462 -0.006 1.00 1.54 H new ATOM 0 HG21 THR A 50 2.462 15.839 1.020 1.00 1.50 H new ATOM 0 HG22 THR A 50 2.855 14.384 0.073 1.00 1.50 H new ATOM 0 HG23 THR A 50 2.868 15.984 -0.706 1.00 1.50 H new ATOM 850 N ILE A 51 0.488 12.129 -1.256 1.00 1.30 N ATOM 851 CA ILE A 51 0.892 10.718 -1.327 1.00 1.24 C ATOM 852 C ILE A 51 1.276 10.294 -2.754 1.00 1.27 C ATOM 853 O ILE A 51 2.316 9.668 -2.942 1.00 1.27 O ATOM 854 CB ILE A 51 -0.220 9.845 -0.685 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.147 9.423 0.749 1.00 1.14 C ATOM 856 CG2 ILE A 51 -0.594 8.596 -1.492 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.089 10.588 1.750 1.00 1.17 C ATOM 0 H ILE A 51 -0.441 12.274 -0.862 1.00 1.30 H new ATOM 0 HA ILE A 51 1.806 10.567 -0.752 1.00 1.24 H new ATOM 0 HB ILE A 51 -1.096 10.494 -0.675 1.00 1.18 H new ATOM 0 HG12 ILE A 51 -0.533 8.636 1.076 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.151 8.998 0.751 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -1.377 8.046 -0.970 1.00 1.15 H new ATOM 0 HG22 ILE A 51 -0.954 8.893 -2.477 1.00 1.15 H new ATOM 0 HG23 ILE A 51 0.283 7.959 -1.604 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.358 10.228 2.743 1.00 1.17 H new ATOM 0 HD12 ILE A 51 0.789 11.366 1.444 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.921 10.998 1.773 1.00 1.17 H new ATOM 869 N THR A 52 0.482 10.664 -3.757 1.00 1.30 N ATOM 870 CA THR A 52 0.774 10.313 -5.161 1.00 1.35 C ATOM 871 C THR A 52 1.931 11.133 -5.728 1.00 1.42 C ATOM 872 O THR A 52 2.763 10.590 -6.457 1.00 1.45 O ATOM 873 CB THR A 52 -0.488 10.474 -6.022 1.00 1.39 C ATOM 874 OG1 THR A 52 -1.466 9.582 -5.531 1.00 1.34 O ATOM 875 CG2 THR A 52 -0.280 10.101 -7.490 1.00 1.45 C ATOM 0 H THR A 52 -0.372 11.208 -3.632 1.00 1.30 H new ATOM 0 HA THR A 52 1.085 9.269 -5.184 1.00 1.35 H new ATOM 0 HB THR A 52 -0.772 11.525 -5.966 1.00 1.39 H new ATOM 0 HG1 THR A 52 -1.869 9.953 -4.718 1.00 1.34 H new ATOM 0 HG21 THR A 52 -1.213 10.239 -8.036 1.00 1.45 H new ATOM 0 HG22 THR A 52 0.491 10.739 -7.922 1.00 1.45 H new ATOM 0 HG23 THR A 52 0.030 9.058 -7.560 1.00 1.45 H new ATOM 883 N ALA A 53 2.040 12.406 -5.339 1.00 1.47 N ATOM 884 CA ALA A 53 3.161 13.255 -5.737 1.00 1.55 C ATOM 885 C ALA A 53 4.512 12.855 -5.099 1.00 1.54 C ATOM 886 O ALA A 53 5.557 13.203 -5.661 1.00 1.61 O ATOM 887 CB ALA A 53 2.800 14.705 -5.388 1.00 1.61 C ATOM 0 H ALA A 53 1.357 12.873 -4.743 1.00 1.47 H new ATOM 0 HA ALA A 53 3.312 13.131 -6.809 1.00 1.55 H new ATOM 0 HB1 ALA A 53 3.620 15.363 -5.674 1.00 1.61 H new ATOM 0 HB2 ALA A 53 1.897 14.995 -5.926 1.00 1.61 H new ATOM 0 HB3 ALA A 53 2.626 14.788 -4.315 1.00 1.61 H new ATOM 893 N ARG A 54 4.508 12.143 -3.954 1.00 1.47 N ATOM 894 CA ARG A 54 5.749 11.928 -3.165 1.00 1.49 C ATOM 895 C ARG A 54 6.030 10.486 -2.712 1.00 1.44 C ATOM 896 O ARG A 54 7.107 10.239 -2.171 1.00 1.48 O ATOM 897 CB ARG A 54 5.713 12.842 -1.920 1.00 1.51 C ATOM 898 CG ARG A 54 5.634 14.357 -2.187 1.00 1.59 C ATOM 899 CD ARG A 54 6.865 14.934 -2.907 1.00 1.68 C ATOM 900 NE ARG A 54 8.117 14.727 -2.148 1.00 1.72 N ATOM 901 CZ ARG A 54 8.566 15.434 -1.126 1.00 1.77 C ATOM 902 NH1 ARG A 54 7.916 16.458 -0.643 1.00 1.79 N ATOM 903 NH2 ARG A 54 9.695 15.122 -0.558 1.00 1.82 N ATOM 0 H ARG A 54 3.675 11.711 -3.555 1.00 1.47 H new ATOM 0 HA ARG A 54 6.561 12.171 -3.850 1.00 1.49 H new ATOM 0 HB2 ARG A 54 4.855 12.557 -1.311 1.00 1.51 H new ATOM 0 HB3 ARG A 54 6.605 12.646 -1.326 1.00 1.51 H new ATOM 0 HG2 ARG A 54 4.747 14.564 -2.785 1.00 1.59 H new ATOM 0 HG3 ARG A 54 5.506 14.876 -1.237 1.00 1.59 H new ATOM 0 HD2 ARG A 54 6.958 14.469 -3.888 1.00 1.68 H new ATOM 0 HD3 ARG A 54 6.717 16.001 -3.073 1.00 1.68 H new ATOM 0 HE ARG A 54 8.702 13.948 -2.448 1.00 1.72 H new ATOM 0 HH11 ARG A 54 7.027 16.739 -1.056 1.00 1.79 H new ATOM 0 HH12 ARG A 54 8.298 16.977 0.148 1.00 1.79 H new ATOM 0 HH21 ARG A 54 10.237 14.329 -0.902 1.00 1.82 H new ATOM 0 HH22 ARG A 54 10.038 15.671 0.231 1.00 1.82 H new ATOM 917 N ARG A 55 5.103 9.537 -2.918 1.00 1.37 N ATOM 918 CA ARG A 55 5.128 8.170 -2.338 1.00 1.32 C ATOM 919 C ARG A 55 5.320 8.250 -0.819 1.00 1.31 C ATOM 920 O ARG A 55 6.240 7.689 -0.224 1.00 1.35 O ATOM 921 CB ARG A 55 6.119 7.252 -3.095 1.00 1.37 C ATOM 922 CG ARG A 55 6.039 7.360 -4.634 1.00 1.40 C ATOM 923 CD ARG A 55 4.648 7.083 -5.232 1.00 1.35 C ATOM 924 NE ARG A 55 4.301 8.057 -6.289 1.00 1.40 N ATOM 925 CZ ARG A 55 4.655 8.045 -7.560 1.00 1.46 C ATOM 926 NH1 ARG A 55 5.393 7.103 -8.078 1.00 1.49 N ATOM 927 NH2 ARG A 55 4.260 9.012 -8.333 1.00 1.51 N ATOM 0 H ARG A 55 4.288 9.697 -3.510 1.00 1.37 H new ATOM 0 HA ARG A 55 4.164 7.681 -2.481 1.00 1.32 H new ATOM 0 HB2 ARG A 55 7.134 7.493 -2.778 1.00 1.37 H new ATOM 0 HB3 ARG A 55 5.932 6.218 -2.805 1.00 1.37 H new ATOM 0 HG2 ARG A 55 6.353 8.361 -4.930 1.00 1.40 H new ATOM 0 HG3 ARG A 55 6.752 6.660 -5.070 1.00 1.40 H new ATOM 0 HD2 ARG A 55 4.624 6.075 -5.645 1.00 1.35 H new ATOM 0 HD3 ARG A 55 3.898 7.122 -4.442 1.00 1.35 H new ATOM 0 HE ARG A 55 3.713 8.838 -5.998 1.00 1.40 H new ATOM 0 HH11 ARG A 55 5.721 6.334 -7.495 1.00 1.49 H new ATOM 0 HH12 ARG A 55 5.642 7.136 -9.067 1.00 1.49 H new ATOM 0 HH21 ARG A 55 3.685 9.765 -7.955 1.00 1.51 H new ATOM 0 HH22 ARG A 55 4.525 9.018 -9.318 1.00 1.51 H new ATOM 941 N GLN A 56 4.396 9.007 -0.222 1.00 1.28 N ATOM 942 CA GLN A 56 4.468 9.357 1.201 1.00 1.29 C ATOM 943 C GLN A 56 3.902 8.253 2.121 1.00 1.24 C ATOM 944 O GLN A 56 3.928 8.415 3.340 1.00 1.25 O ATOM 945 CB GLN A 56 3.785 10.718 1.448 1.00 1.30 C ATOM 946 CG GLN A 56 4.499 11.597 2.493 1.00 1.37 C ATOM 947 CD GLN A 56 5.615 12.449 1.886 1.00 1.46 C ATOM 948 OE1 GLN A 56 5.370 13.455 1.234 1.00 1.49 O ATOM 949 NE2 GLN A 56 6.876 12.118 2.063 1.00 1.51 N ATOM 0 H GLN A 56 3.584 9.392 -0.705 1.00 1.28 H new ATOM 0 HA GLN A 56 5.522 9.444 1.464 1.00 1.29 H new ATOM 0 HB2 GLN A 56 3.732 11.263 0.505 1.00 1.30 H new ATOM 0 HB3 GLN A 56 2.759 10.544 1.774 1.00 1.30 H new ATOM 0 HG2 GLN A 56 3.769 12.250 2.972 1.00 1.37 H new ATOM 0 HG3 GLN A 56 4.917 10.960 3.272 1.00 1.37 H new ATOM 0 HE21 GLN A 56 7.114 11.285 2.602 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.616 12.694 1.662 1.00 1.51 H new ATOM 958 N TRP A 57 3.435 7.113 1.583 1.00 1.19 N ATOM 959 CA TRP A 57 2.986 5.955 2.377 1.00 1.17 C ATOM 960 C TRP A 57 4.034 5.459 3.376 1.00 1.24 C ATOM 961 O TRP A 57 3.669 5.041 4.471 1.00 1.24 O ATOM 962 CB TRP A 57 2.526 4.795 1.487 1.00 1.15 C ATOM 963 CG TRP A 57 1.240 5.032 0.777 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.101 5.439 -0.501 1.00 1.11 C ATOM 965 CD2 TRP A 57 -0.109 4.881 1.311 1.00 1.07 C ATOM 966 NE1 TRP A 57 -0.241 5.577 -0.785 1.00 1.09 N ATOM 967 CE2 TRP A 57 -1.035 5.263 0.297 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.642 4.480 2.553 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -2.420 5.275 0.514 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -2.028 4.472 2.779 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.911 4.873 1.766 1.00 1.06 C ATOM 0 H TRP A 57 3.358 6.968 0.576 1.00 1.19 H new ATOM 0 HA TRP A 57 2.135 6.320 2.953 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.301 4.591 0.749 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.427 3.900 2.101 1.00 1.15 H new ATOM 0 HD1 TRP A 57 1.910 5.627 -1.191 1.00 1.11 H new ATOM 0 HE1 TRP A 57 -0.604 5.876 -1.690 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.027 4.174 3.344 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -3.097 5.588 -0.268 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.415 4.156 3.736 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.975 4.873 1.950 1.00 1.06 H new ATOM 982 N LYS A 58 5.300 5.700 3.058 1.00 1.32 N ATOM 983 CA LYS A 58 6.395 5.359 3.950 1.00 1.42 C ATOM 984 C LYS A 58 6.268 6.164 5.259 1.00 1.43 C ATOM 985 O LYS A 58 6.697 5.711 6.319 1.00 1.51 O ATOM 986 CB LYS A 58 7.732 5.658 3.264 1.00 1.54 C ATOM 987 CG LYS A 58 7.840 5.087 1.854 1.00 1.98 C ATOM 988 CD LYS A 58 7.818 3.565 1.859 1.00 2.07 C ATOM 989 CE LYS A 58 8.127 2.998 0.480 1.00 2.58 C ATOM 990 NZ LYS A 58 7.957 1.518 0.436 1.00 2.89 N ATOM 0 H LYS A 58 5.592 6.133 2.182 1.00 1.32 H new ATOM 0 HA LYS A 58 6.354 4.296 4.188 1.00 1.42 H new ATOM 0 HB2 LYS A 58 7.874 6.738 3.221 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.541 5.254 3.873 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.016 5.461 1.246 1.00 1.98 H new ATOM 0 HG3 LYS A 58 8.762 5.436 1.390 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.547 3.192 2.579 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.839 3.215 2.186 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.472 3.461 -0.258 1.00 2.58 H new ATOM 0 HE3 LYS A 58 9.150 3.254 0.203 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.177 1.172 -0.520 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 8.601 1.074 1.122 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 6.975 1.274 0.675 1.00 2.89 H new ATOM 1004 N HIS A 59 5.693 7.379 5.162 1.00 1.39 N ATOM 1005 CA HIS A 59 5.470 8.246 6.330 1.00 1.40 C ATOM 1006 C HIS A 59 4.257 7.778 7.151 1.00 1.32 C ATOM 1007 O HIS A 59 4.257 7.906 8.371 1.00 1.35 O ATOM 1008 CB HIS A 59 5.331 9.711 5.917 1.00 1.43 C ATOM 1009 CG HIS A 59 6.621 10.333 5.470 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.080 11.543 5.947 1.00 1.81 N ATOM 1011 CD2 HIS A 59 7.547 9.909 4.576 1.00 1.59 C ATOM 1012 CE1 HIS A 59 8.228 11.837 5.363 1.00 1.93 C ATOM 1013 NE2 HIS A 59 8.534 10.861 4.527 1.00 1.79 N ATOM 0 H HIS A 59 5.374 7.781 4.281 1.00 1.39 H new ATOM 0 HA HIS A 59 6.349 8.168 6.970 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.603 9.785 5.110 1.00 1.43 H new ATOM 0 HB3 HIS A 59 4.934 10.281 6.757 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.514 8.991 4.007 1.00 1.59 H new ATOM 0 HE1 HIS A 59 8.817 12.725 5.539 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.368 10.822 3.941 1.00 1.79 H new ATOM 1022 N ILE A 60 3.195 7.305 6.480 1.00 1.23 N ATOM 1023 CA ILE A 60 2.043 6.725 7.187 1.00 1.20 C ATOM 1024 C ILE A 60 2.563 5.526 7.974 1.00 1.27 C ATOM 1025 O ILE A 60 2.278 5.441 9.158 1.00 1.33 O ATOM 1026 CB ILE A 60 0.873 6.368 6.244 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.225 7.685 5.757 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.162 5.472 6.955 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.816 7.501 4.651 1.00 1.14 C ATOM 0 H ILE A 60 3.110 7.312 5.464 1.00 1.23 H new ATOM 0 HA ILE A 60 1.610 7.460 7.866 1.00 1.20 H new ATOM 0 HB ILE A 60 1.248 5.802 5.391 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.247 8.180 6.606 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.009 8.350 5.395 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.974 5.237 6.267 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.318 4.548 7.279 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.562 5.996 7.823 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -1.221 8.472 4.367 1.00 1.14 H new ATOM 0 HD12 ILE A 60 -0.347 7.036 3.784 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.622 6.863 5.013 1.00 1.14 H new ATOM 1238 N THR A 77 -0.825 -1.228 1.893 1.00 1.35 N ATOM 1239 CA THR A 77 -1.890 -0.369 2.405 1.00 1.39 C ATOM 1240 C THR A 77 -2.398 0.586 1.322 1.00 1.34 C ATOM 1241 O THR A 77 -3.567 0.978 1.329 1.00 1.38 O ATOM 1242 CB THR A 77 -1.427 0.428 3.644 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.054 -0.476 4.691 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.524 1.351 4.151 1.00 1.49 C ATOM 0 HA THR A 77 -2.711 -1.019 2.706 1.00 1.39 H new ATOM 0 HB THR A 77 -0.571 1.035 3.349 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.769 -1.329 4.301 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.166 1.897 5.024 1.00 1.49 H new ATOM 0 HG22 THR A 77 -2.796 2.058 3.367 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.398 0.761 4.426 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.518 0.954 0.387 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.897 1.838 -0.716 1.00 1.25 C ATOM 1254 C ARG A 78 -2.892 1.133 -1.631 1.00 1.30 C ATOM 1255 O ARG A 78 -3.806 1.748 -2.181 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.666 2.255 -1.531 1.00 1.25 C ATOM 1257 CG ARG A 78 -1.018 3.050 -2.784 1.00 1.33 C ATOM 1258 CD ARG A 78 0.214 3.575 -3.500 1.00 1.40 C ATOM 1259 NE ARG A 78 -0.143 4.487 -4.588 1.00 1.56 N ATOM 1260 CZ ARG A 78 0.404 5.691 -4.763 1.00 1.92 C ATOM 1261 NH1 ARG A 78 1.355 6.124 -3.945 1.00 2.01 N ATOM 1262 NH2 ARG A 78 0.001 6.461 -5.764 1.00 2.42 N ATOM 0 H ARG A 78 -0.543 0.655 0.372 1.00 1.27 H new ATOM 0 HA ARG A 78 -2.356 2.731 -0.292 1.00 1.25 H new ATOM 0 HB2 ARG A 78 -0.007 2.853 -0.902 1.00 1.25 H new ATOM 0 HB3 ARG A 78 -0.109 1.363 -1.819 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -1.589 2.418 -3.464 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -1.661 3.887 -2.512 1.00 1.33 H new ATOM 0 HD2 ARG A 78 0.857 4.092 -2.788 1.00 1.40 H new ATOM 0 HD3 ARG A 78 0.788 2.739 -3.899 1.00 1.40 H new ATOM 0 HE ARG A 78 -0.854 4.183 -5.253 1.00 1.56 H new ATOM 0 HH11 ARG A 78 1.673 5.535 -3.175 1.00 2.01 H new ATOM 0 HH12 ARG A 78 1.768 7.046 -4.086 1.00 2.01 H new ATOM 0 HH21 ARG A 78 -0.726 6.133 -6.399 1.00 2.42 H new ATOM 0 HH22 ARG A 78 0.418 7.382 -5.899 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.700 -0.173 -1.766 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.540 -1.014 -2.611 1.00 1.45 C ATOM 1278 C ARG A 79 -4.929 -1.268 -2.014 1.00 1.48 C ATOM 1279 O ARG A 79 -5.887 -1.488 -2.754 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.835 -2.337 -2.958 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.469 -2.126 -3.639 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.824 -3.448 -4.072 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.546 -4.077 -5.199 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.286 -5.251 -5.746 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.320 -6.016 -5.323 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.998 -5.685 -6.747 1.00 1.82 N ATOM 0 H ARG A 79 -1.954 -0.681 -1.291 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.699 -0.457 -3.534 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.695 -2.919 -2.047 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.477 -2.924 -3.615 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.595 -1.483 -4.510 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.800 -1.605 -2.953 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.212 -3.268 -4.361 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.804 -4.135 -3.226 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.325 -3.550 -5.595 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.266 -5.714 -4.544 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.149 -6.916 -5.771 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.762 -5.117 -7.113 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.791 -6.593 -7.164 1.00 1.82 H new ATOM 1300 N HIS A 80 -5.050 -1.193 -0.688 1.00 1.47 N ATOM 1301 CA HIS A 80 -6.331 -1.197 0.019 1.00 1.50 C ATOM 1302 C HIS A 80 -7.019 0.173 -0.104 1.00 1.44 C ATOM 1303 O HIS A 80 -8.160 0.238 -0.558 1.00 1.48 O ATOM 1304 CB HIS A 80 -6.106 -1.624 1.481 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.410 -2.962 1.619 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.522 -3.321 2.610 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.537 -4.053 0.790 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.127 -4.586 2.387 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.716 -5.077 1.284 1.00 1.74 N ATOM 0 H HIS A 80 -4.246 -1.127 -0.064 1.00 1.47 H new ATOM 0 HA HIS A 80 -7.006 -1.922 -0.435 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.514 -0.861 1.987 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -7.069 -1.670 1.990 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -6.161 -4.111 -0.089 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.433 -5.132 3.008 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.591 -6.008 0.886 1.00 1.74 H new ATOM 1318 N TYR A 81 -6.320 1.280 0.189 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.875 2.643 0.133 1.00 1.29 C ATOM 1320 C TYR A 81 -7.467 2.994 -1.239 1.00 1.32 C ATOM 1321 O TYR A 81 -8.533 3.612 -1.309 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.776 3.644 0.532 1.00 1.21 C ATOM 1323 CG TYR A 81 -6.228 5.087 0.756 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -6.571 5.910 -0.338 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -6.249 5.626 2.058 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.953 7.250 -0.130 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.559 6.985 2.261 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.929 7.803 1.170 1.00 1.12 C ATOM 1329 OH TYR A 81 -7.290 9.097 1.387 1.00 1.11 O ATOM 0 H TYR A 81 -5.341 1.255 0.475 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.706 2.698 0.836 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -5.303 3.287 1.447 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -5.011 3.641 -0.245 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -6.540 5.510 -1.341 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -6.026 4.994 2.905 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -7.265 7.857 -0.967 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.514 7.404 3.255 1.00 1.12 H new ATOM 0 HH TYR A 81 -7.638 9.483 0.556 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.843 2.544 -2.341 1.00 1.34 N ATOM 1340 CA GLU A 82 -7.277 2.857 -3.702 1.00 1.39 C ATOM 1341 C GLU A 82 -8.586 2.156 -4.094 1.00 1.50 C ATOM 1342 O GLU A 82 -9.133 2.429 -5.166 1.00 1.56 O ATOM 1343 CB GLU A 82 -6.152 2.633 -4.725 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.870 1.170 -5.051 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.955 1.041 -6.281 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -5.459 1.222 -7.418 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.748 0.735 -6.124 1.00 1.46 O ATOM 0 H GLU A 82 -6.016 1.948 -2.305 1.00 1.34 H new ATOM 0 HA GLU A 82 -7.507 3.922 -3.715 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -6.409 3.154 -5.647 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -5.238 3.089 -4.345 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -5.401 0.687 -4.193 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.809 0.648 -5.237 1.00 1.46 H new ATOM 1354 N ARG A 83 -9.099 1.269 -3.221 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.443 0.697 -3.366 1.00 1.64 C ATOM 1356 C ARG A 83 -11.341 0.886 -2.136 1.00 1.64 C ATOM 1357 O ARG A 83 -12.531 0.591 -2.223 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.355 -0.799 -3.736 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.666 -1.103 -5.072 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.419 -0.531 -6.285 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.690 -0.810 -7.537 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.632 -0.157 -7.989 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -8.220 0.959 -7.468 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.932 -0.627 -8.981 1.00 1.82 N ATOM 0 H ARG A 83 -8.594 0.933 -2.401 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.917 1.255 -4.174 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.821 -1.322 -2.943 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.364 -1.210 -3.765 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.656 -0.694 -5.054 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.571 -2.183 -5.187 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.417 -0.966 -6.336 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.545 0.545 -6.165 1.00 1.81 H new ATOM 0 HE ARG A 83 -10.035 -1.581 -8.109 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.718 1.367 -6.677 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -7.398 1.428 -7.850 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -8.197 -1.509 -9.420 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -7.118 -0.113 -9.320 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.804 1.402 -1.024 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.513 1.404 0.259 1.00 1.57 C ATOM 1380 C LEU A 84 -11.824 2.822 0.766 1.00 1.51 C ATOM 1381 O LEU A 84 -12.596 2.976 1.705 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.634 0.598 1.231 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.242 0.292 2.600 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.522 -0.530 2.504 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.237 -0.494 3.438 1.00 1.61 C ATOM 0 H LEU A 84 -9.877 1.825 -0.988 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.497 0.946 0.159 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -10.374 -0.347 0.754 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.704 1.145 1.384 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.485 1.250 3.059 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.910 -0.718 3.505 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.264 0.019 1.924 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.309 -1.480 2.014 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.669 -0.713 4.414 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.993 -1.428 2.932 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.330 0.097 3.567 1.00 1.61 H new ATOM 1397 N ILE A 85 -11.256 3.857 0.133 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.687 5.248 0.372 1.00 1.41 C ATOM 1399 C ILE A 85 -11.340 6.210 -0.764 1.00 1.39 C ATOM 1400 O ILE A 85 -12.055 7.192 -0.921 1.00 1.42 O ATOM 1401 CB ILE A 85 -11.211 5.773 1.739 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.916 7.108 2.077 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.688 5.906 1.808 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.985 7.411 3.575 1.00 1.33 C ATOM 0 H ILE A 85 -10.501 3.762 -0.546 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.776 5.212 0.395 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.489 5.037 2.493 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -11.392 7.921 1.576 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.928 7.085 1.674 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -9.400 6.280 2.791 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -9.230 4.931 1.642 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -9.348 6.602 1.041 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.493 8.363 3.731 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.536 6.618 4.082 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.975 7.468 3.982 1.00 1.33 H new ATOM 1416 N LEU A 86 -10.359 5.920 -1.627 1.00 1.37 N ATOM 1417 CA LEU A 86 -10.164 6.670 -2.873 1.00 1.39 C ATOM 1418 C LEU A 86 -11.471 6.852 -3.694 1.00 1.49 C ATOM 1419 O LEU A 86 -11.707 7.968 -4.168 1.00 1.52 O ATOM 1420 CB LEU A 86 -9.043 5.998 -3.682 1.00 1.37 C ATOM 1421 CG LEU A 86 -8.677 6.668 -5.018 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -8.251 8.130 -4.848 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -7.531 5.918 -5.689 1.00 1.40 C ATOM 0 H LEU A 86 -9.685 5.168 -1.484 1.00 1.37 H new ATOM 0 HA LEU A 86 -9.865 7.687 -2.622 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -8.148 5.959 -3.061 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -9.336 4.968 -3.884 1.00 1.37 H new ATOM 0 HG LEU A 86 -9.577 6.637 -5.631 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -8.004 8.553 -5.822 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -9.068 8.698 -4.403 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -7.377 8.181 -4.198 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -7.282 6.403 -6.633 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -6.659 5.927 -5.036 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.832 4.888 -5.878 1.00 1.40 H new ATOM 1435 N PRO A 87 -12.372 5.845 -3.821 1.00 1.58 N ATOM 1436 CA PRO A 87 -13.682 6.046 -4.451 1.00 1.69 C ATOM 1437 C PRO A 87 -14.710 6.828 -3.605 1.00 1.71 C ATOM 1438 O PRO A 87 -15.696 7.294 -4.181 1.00 1.80 O ATOM 1439 CB PRO A 87 -14.199 4.642 -4.788 1.00 1.78 C ATOM 1440 CG PRO A 87 -13.529 3.754 -3.746 1.00 1.71 C ATOM 1441 CD PRO A 87 -12.164 4.415 -3.583 1.00 1.59 C ATOM 0 HA PRO A 87 -13.554 6.679 -5.329 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -15.286 4.588 -4.722 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.927 4.347 -5.801 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -14.086 3.735 -2.809 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -13.443 2.722 -4.086 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.764 4.241 -2.584 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -11.445 4.003 -4.291 1.00 1.59 H new ATOM 1449 N TYR A 88 -14.518 7.000 -2.284 1.00 1.63 N ATOM 1450 CA TYR A 88 -15.500 7.682 -1.418 1.00 1.66 C ATOM 1451 C TYR A 88 -15.067 9.084 -0.950 1.00 1.59 C ATOM 1452 O TYR A 88 -15.919 9.964 -0.863 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.954 6.757 -0.272 1.00 1.68 C ATOM 1454 CG TYR A 88 -17.344 6.150 -0.461 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.768 5.675 -1.723 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -18.226 6.063 0.634 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -19.055 5.126 -1.884 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -19.518 5.523 0.477 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.936 5.049 -0.784 1.00 2.05 C ATOM 1460 OH TYR A 88 -21.179 4.518 -0.948 1.00 2.17 O ATOM 0 H TYR A 88 -13.687 6.674 -1.790 1.00 1.63 H new ATOM 0 HA TYR A 88 -16.374 7.886 -2.036 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -15.230 5.949 -0.165 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.941 7.321 0.660 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -17.100 5.733 -2.570 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.908 6.414 1.605 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -19.369 4.763 -2.852 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -20.188 5.472 1.322 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.658 4.538 -0.094 1.00 2.17 H new ATOM 1470 N GLU A 89 -13.770 9.390 -0.798 1.00 1.50 N ATOM 1471 CA GLU A 89 -13.309 10.787 -0.614 1.00 1.46 C ATOM 1472 C GLU A 89 -13.740 11.701 -1.790 1.00 1.53 C ATOM 1473 O GLU A 89 -13.771 12.923 -1.658 1.00 1.55 O ATOM 1474 CB GLU A 89 -11.789 10.879 -0.358 1.00 1.36 C ATOM 1475 CG GLU A 89 -10.897 10.531 -1.563 1.00 1.35 C ATOM 1476 CD GLU A 89 -9.431 10.946 -1.325 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -8.698 10.239 -0.593 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -9.000 11.985 -1.891 1.00 1.29 O ATOM 0 H GLU A 89 -13.020 8.698 -0.798 1.00 1.50 H new ATOM 0 HA GLU A 89 -13.805 11.155 0.284 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -11.553 11.892 -0.033 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -11.535 10.212 0.466 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.945 9.459 -1.754 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -11.277 11.031 -2.454 1.00 1.35 H new ATOM 1485 N ARG A 90 -14.161 11.074 -2.898 1.00 1.61 N ATOM 1486 CA ARG A 90 -14.813 11.770 -4.015 1.00 1.71 C ATOM 1487 C ARG A 90 -16.000 12.655 -3.592 1.00 1.78 C ATOM 1488 O ARG A 90 -16.157 13.733 -4.166 1.00 1.83 O ATOM 1489 CB ARG A 90 -15.210 10.717 -5.068 1.00 1.78 C ATOM 1490 CG ARG A 90 -15.623 11.337 -6.409 1.00 1.89 C ATOM 1491 CD ARG A 90 -15.844 10.244 -7.461 1.00 1.97 C ATOM 1492 NE ARG A 90 -16.199 10.819 -8.772 1.00 2.08 N ATOM 1493 CZ ARG A 90 -16.262 10.177 -9.926 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -16.019 8.899 -10.026 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -16.574 10.813 -11.018 1.00 2.25 N ATOM 0 H ARG A 90 -14.059 10.070 -3.044 1.00 1.61 H new ATOM 0 HA ARG A 90 -14.103 12.478 -4.443 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -14.372 10.039 -5.230 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -16.034 10.118 -4.682 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -16.537 11.918 -6.282 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -14.852 12.027 -6.750 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -14.940 9.644 -7.559 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -16.637 9.574 -7.130 1.00 1.97 H new ATOM 0 HE ARG A 90 -16.419 11.815 -8.790 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -15.770 8.361 -9.196 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -16.078 8.438 -10.934 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -16.772 11.813 -10.987 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -16.621 10.311 -11.905 1.00 2.25 H new ATOM 1509 N PHE A 91 -16.791 12.284 -2.572 1.00 1.78 N ATOM 1510 CA PHE A 91 -17.829 13.189 -2.032 1.00 1.84 C ATOM 1511 C PHE A 91 -17.249 14.323 -1.163 1.00 1.78 C ATOM 1512 O PHE A 91 -17.809 15.419 -1.133 1.00 1.84 O ATOM 1513 CB PHE A 91 -18.960 12.425 -1.309 1.00 1.89 C ATOM 1514 CG PHE A 91 -18.639 11.767 0.028 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -18.445 12.543 1.191 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -18.587 10.362 0.128 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -18.103 11.927 2.408 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -18.234 9.750 1.341 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.960 10.533 2.470 1.00 1.70 C ATOM 0 H PHE A 91 -16.737 11.378 -2.107 1.00 1.78 H new ATOM 0 HA PHE A 91 -18.279 13.672 -2.900 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -19.784 13.121 -1.149 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -19.324 11.650 -1.984 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -18.560 13.616 1.146 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -18.820 9.753 -0.733 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.951 12.526 3.293 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -18.174 8.674 1.404 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.639 10.063 3.388 1.00 1.70 H new ATOM 1529 N ILE A 92 -16.102 14.103 -0.506 1.00 1.67 N ATOM 1530 CA ILE A 92 -15.462 15.134 0.336 1.00 1.62 C ATOM 1531 C ILE A 92 -14.802 16.194 -0.558 1.00 1.64 C ATOM 1532 O ILE A 92 -14.922 17.394 -0.323 1.00 1.69 O ATOM 1533 CB ILE A 92 -14.418 14.495 1.291 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -15.043 13.350 2.125 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.815 15.566 2.221 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -14.058 12.578 3.011 1.00 1.43 C ATOM 0 H ILE A 92 -15.594 13.219 -0.539 1.00 1.67 H new ATOM 0 HA ILE A 92 -16.226 15.613 0.949 1.00 1.62 H new ATOM 0 HB ILE A 92 -13.623 14.069 0.679 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.826 13.768 2.758 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -15.524 12.647 1.445 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -13.085 15.102 2.884 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -13.325 16.334 1.622 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -14.608 16.020 2.815 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.592 11.798 3.554 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -13.287 12.124 2.388 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.594 13.262 3.721 1.00 1.43 H new ATOM 1548 N LYS A 93 -14.153 15.733 -1.628 1.00 1.63 N ATOM 1549 CA LYS A 93 -13.340 16.585 -2.506 1.00 1.66 C ATOM 1550 C LYS A 93 -14.121 17.138 -3.707 1.00 1.78 C ATOM 1551 O LYS A 93 -13.597 17.949 -4.471 1.00 1.82 O ATOM 1552 CB LYS A 93 -12.137 15.723 -2.917 1.00 1.58 C ATOM 1553 CG LYS A 93 -10.929 16.534 -3.402 1.00 1.58 C ATOM 1554 CD LYS A 93 -9.656 15.682 -3.333 1.00 1.49 C ATOM 1555 CE LYS A 93 -9.710 14.475 -4.278 1.00 1.50 C ATOM 1556 NZ LYS A 93 -8.524 13.611 -4.095 1.00 1.41 N ATOM 0 H LYS A 93 -14.175 14.754 -1.914 1.00 1.63 H new ATOM 0 HA LYS A 93 -13.018 17.486 -1.984 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -11.834 15.111 -2.068 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -12.445 15.040 -3.709 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -11.095 16.870 -4.425 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -10.811 17.427 -2.788 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -8.794 16.300 -3.586 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -9.510 15.334 -2.311 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -10.617 13.900 -4.089 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -9.759 14.818 -5.311 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -8.474 12.921 -4.871 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -7.664 14.196 -4.097 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -8.598 13.107 -3.188 1.00 1.41 H new ATOM 1570 N GLY A 94 -15.384 16.719 -3.840 1.00 1.84 N ATOM 1571 CA GLY A 94 -16.269 17.166 -4.918 1.00 1.97 C ATOM 1572 C GLY A 94 -17.541 17.871 -4.431 1.00 2.05 C ATOM 1573 O GLY A 94 -18.151 18.597 -5.215 1.00 2.15 O ATOM 0 H GLY A 94 -15.822 16.057 -3.199 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -15.717 17.844 -5.569 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -16.553 16.304 -5.522 1.00 1.97 H new ATOM 1577 N GLU A 95 -17.931 17.708 -3.157 1.00 2.00 N ATOM 1578 CA GLU A 95 -19.180 18.272 -2.600 1.00 2.08 C ATOM 1579 C GLU A 95 -19.055 18.790 -1.150 1.00 2.02 C ATOM 1580 O GLU A 95 -20.051 18.922 -0.435 1.00 2.07 O ATOM 1581 CB GLU A 95 -20.341 17.257 -2.735 1.00 2.13 C ATOM 1582 CG GLU A 95 -20.647 16.811 -4.171 1.00 2.21 C ATOM 1583 CD GLU A 95 -21.907 15.928 -4.218 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -23.031 16.467 -4.372 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -21.785 14.681 -4.117 1.00 2.26 O ATOM 0 H GLU A 95 -17.387 17.178 -2.476 1.00 2.00 H new ATOM 0 HA GLU A 95 -19.401 19.156 -3.198 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -20.104 16.375 -2.139 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -21.241 17.698 -2.308 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -20.788 17.686 -4.805 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -19.797 16.260 -4.573 1.00 2.21 H new ATOM 1592 N GLU A 96 -17.836 19.125 -0.707 1.00 1.94 N ATOM 1593 CA GLU A 96 -17.588 19.748 0.607 1.00 1.90 C ATOM 1594 C GLU A 96 -16.332 20.646 0.666 1.00 1.87 C ATOM 1595 O GLU A 96 -16.408 21.770 1.164 1.00 1.92 O ATOM 1596 CB GLU A 96 -17.531 18.661 1.702 1.00 1.82 C ATOM 1597 CG GLU A 96 -17.563 19.258 3.114 1.00 1.81 C ATOM 1598 CD GLU A 96 -17.664 18.152 4.184 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -18.799 17.761 4.554 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -16.611 17.684 4.681 1.00 1.68 O ATOM 0 H GLU A 96 -16.987 18.972 -1.251 1.00 1.94 H new ATOM 0 HA GLU A 96 -18.428 20.420 0.784 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -18.372 17.979 1.579 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -16.622 18.072 1.579 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -16.663 19.850 3.282 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -18.412 19.936 3.206 1.00 1.81 H new ATOM 1607 N ASP A 97 -15.196 20.161 0.173 1.00 1.80 N ATOM 1608 CA ASP A 97 -13.963 20.947 0.212 1.00 1.78 C ATOM 1609 C ASP A 97 -13.764 21.753 -1.074 1.00 1.87 C ATOM 1610 O ASP A 97 -14.606 22.577 -1.436 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.752 20.039 0.462 1.00 1.78 C ATOM 1612 CG ASP A 97 -12.778 19.388 1.832 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -13.465 19.917 2.732 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -12.107 18.350 2.005 1.00 2.20 O ATOM 0 H ASP A 97 -15.101 19.239 -0.254 1.00 1.80 H new ATOM 0 HA ASP A 97 -14.053 21.654 1.037 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.721 19.263 -0.303 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.838 20.624 0.360 1.00 1.78 H new