USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 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 :FLIP amide:sc= -0.35 F(o=-3.4!,f=-0.41) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0561 X(o=-0.72,f=-0.41) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 1.09 (180deg=0.516) USER MOD Single : A 5 GLN : amide:sc= 1.23 K(o=1.2,f=-7.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0167 USER MOD Single : A 15 MET CE :methyl 178:sc= -0.659 (180deg=-0.697) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.19 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) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 163:sc= -0.2 (180deg=-0.801) USER MOD Single : A 40 GLN : amide:sc= 0.521 K(o=0.52,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.563 USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.61 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 77 THR OG1 : rot 27:sc= 0.416 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 81 TYR OH : rot 10:sc= 1.27 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 1.75 (180deg=1.52) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -15.002 9.832 11.481 1.00 1.75 N ATOM 2 CA ARG A 1 -15.194 8.359 11.596 1.00 1.74 C ATOM 3 C ARG A 1 -16.489 7.867 10.945 1.00 1.77 C ATOM 4 O ARG A 1 -16.464 7.045 10.019 1.00 1.74 O ATOM 5 CB ARG A 1 -15.034 7.900 13.066 1.00 1.77 C ATOM 6 CG ARG A 1 -15.016 6.371 13.264 1.00 1.77 C ATOM 7 CD ARG A 1 -16.386 5.808 13.670 1.00 1.83 C ATOM 8 NE ARG A 1 -16.363 4.339 13.731 1.00 1.84 N ATOM 9 CZ ARG A 1 -16.061 3.558 14.746 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.713 4.016 15.914 1.00 1.89 N ATOM 11 NH2 ARG A 1 -16.110 2.272 14.572 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.998 10.063 11.621 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.302 10.149 10.537 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.572 10.314 12.205 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.402 7.881 11.019 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -14.108 8.315 13.464 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.850 8.320 13.654 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.691 5.893 12.340 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -14.282 6.117 14.029 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.673 6.210 14.642 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -17.142 6.133 12.955 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.616 3.859 12.867 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.665 5.022 16.074 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -15.488 3.369 16.669 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -16.378 1.890 13.665 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.881 1.644 15.342 1.00 1.87 H new ATOM 27 N ALA A 2 -17.636 8.328 11.453 1.00 1.84 N ATOM 28 CA ALA A 2 -18.939 7.769 11.078 1.00 1.89 C ATOM 29 C ALA A 2 -19.304 7.991 9.602 1.00 1.88 C ATOM 30 O ALA A 2 -19.854 7.098 8.962 1.00 1.89 O ATOM 31 CB ALA A 2 -20.004 8.353 12.013 1.00 1.97 C ATOM 0 H ALA A 2 -17.689 9.091 12.128 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.887 6.686 11.191 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.981 7.948 11.749 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.768 8.088 13.044 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -20.021 9.438 11.912 1.00 1.97 H new ATOM 37 N ASP A 3 -18.948 9.149 9.040 1.00 1.87 N ATOM 38 CA ASP A 3 -19.212 9.453 7.629 1.00 1.88 C ATOM 39 C ASP A 3 -18.295 8.680 6.665 1.00 1.81 C ATOM 40 O ASP A 3 -18.744 8.296 5.587 1.00 1.82 O ATOM 41 CB ASP A 3 -19.062 10.965 7.421 1.00 1.90 C ATOM 42 CG ASP A 3 -19.527 11.409 6.023 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.744 11.310 5.733 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.689 11.903 5.231 1.00 1.89 O ATOM 0 H ASP A 3 -18.473 9.897 9.544 1.00 1.87 H new ATOM 0 HA ASP A 3 -20.227 9.132 7.397 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.640 11.493 8.179 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -18.019 11.248 7.562 1.00 1.90 H new ATOM 49 N GLU A 4 -17.055 8.367 7.075 1.00 1.74 N ATOM 50 CA GLU A 4 -16.169 7.515 6.270 1.00 1.68 C ATOM 51 C GLU A 4 -16.731 6.094 6.241 1.00 1.69 C ATOM 52 O GLU A 4 -16.879 5.501 5.174 1.00 1.68 O ATOM 53 CB GLU A 4 -14.745 7.491 6.844 1.00 1.62 C ATOM 54 CG GLU A 4 -14.079 8.872 6.944 1.00 1.61 C ATOM 55 CD GLU A 4 -14.230 9.466 8.354 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.342 9.907 8.736 1.00 1.71 O ATOM 57 OE2 GLU A 4 -13.254 9.449 9.136 1.00 1.62 O ATOM 0 H GLU A 4 -16.647 8.689 7.953 1.00 1.74 H new ATOM 0 HA GLU A 4 -16.121 7.924 5.261 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.774 7.042 7.837 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -14.126 6.846 6.220 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -13.021 8.787 6.695 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.525 9.547 6.213 1.00 1.61 H new ATOM 64 N GLN A 5 -17.139 5.576 7.407 1.00 1.72 N ATOM 65 CA GLN A 5 -17.785 4.264 7.460 1.00 1.75 C ATOM 66 C GLN A 5 -19.081 4.223 6.634 1.00 1.81 C ATOM 67 O GLN A 5 -19.242 3.325 5.808 1.00 1.81 O ATOM 68 CB GLN A 5 -18.003 3.789 8.903 1.00 1.78 C ATOM 69 CG GLN A 5 -16.671 3.409 9.582 1.00 1.73 C ATOM 70 CD GLN A 5 -16.832 2.235 10.543 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.863 2.381 11.758 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.944 1.024 10.042 1.00 1.77 N ATOM 0 H GLN A 5 -17.035 6.038 8.310 1.00 1.72 H new ATOM 0 HA GLN A 5 -17.098 3.556 6.997 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.493 4.576 9.476 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.672 2.929 8.907 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.935 3.154 8.819 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -16.282 4.271 10.125 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.920 0.886 9.032 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -17.055 0.223 10.664 1.00 1.77 H new ATOM 81 N ALA A 6 -19.960 5.221 6.754 1.00 1.86 N ATOM 82 CA ALA A 6 -21.160 5.326 5.921 1.00 1.92 C ATOM 83 C ALA A 6 -20.827 5.342 4.416 1.00 1.90 C ATOM 84 O ALA A 6 -21.380 4.542 3.653 1.00 1.92 O ATOM 85 CB ALA A 6 -21.951 6.570 6.344 1.00 1.98 C ATOM 0 H ALA A 6 -19.860 5.978 7.430 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.774 4.439 6.077 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.847 6.658 5.730 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -22.237 6.480 7.392 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.332 7.457 6.211 1.00 1.98 H new ATOM 91 N PHE A 7 -19.871 6.172 3.979 1.00 1.85 N ATOM 92 CA PHE A 7 -19.480 6.226 2.569 1.00 1.83 C ATOM 93 C PHE A 7 -18.633 5.025 2.114 1.00 1.77 C ATOM 94 O PHE A 7 -18.589 4.760 0.907 1.00 1.78 O ATOM 95 CB PHE A 7 -18.916 7.611 2.188 1.00 1.82 C ATOM 96 CG PHE A 7 -17.442 7.943 2.393 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.442 7.269 1.662 1.00 1.69 C ATOM 98 CD2 PHE A 7 -17.077 9.075 3.153 1.00 1.75 C ATOM 99 CE1 PHE A 7 -15.106 7.696 1.719 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.736 9.492 3.225 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.746 8.798 2.511 1.00 1.63 C ATOM 0 H PHE A 7 -19.356 6.813 4.582 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.390 6.114 1.980 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -19.134 7.764 1.131 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.490 8.353 2.743 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.706 6.417 1.053 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.837 9.628 3.686 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.351 7.174 1.150 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.468 10.346 3.829 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.714 9.110 2.571 1.00 1.63 H new ATOM 111 N LEU A 8 -18.078 4.218 3.038 1.00 1.73 N ATOM 112 CA LEU A 8 -17.433 2.970 2.600 1.00 1.69 C ATOM 113 C LEU A 8 -18.408 1.784 2.654 1.00 1.75 C ATOM 114 O LEU A 8 -18.151 0.770 2.012 1.00 1.73 O ATOM 115 CB LEU A 8 -16.164 2.710 3.435 1.00 1.63 C ATOM 116 CG LEU A 8 -14.855 2.730 2.630 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.717 1.449 1.816 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.681 3.960 1.732 1.00 1.55 C ATOM 0 H LEU A 8 -18.062 4.395 4.042 1.00 1.73 H new ATOM 0 HA LEU A 8 -17.135 3.080 1.557 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -16.103 3.461 4.223 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -16.259 1.741 3.925 1.00 1.63 H new ATOM 0 HG LEU A 8 -14.054 2.793 3.367 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.786 1.476 1.250 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.709 0.590 2.487 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.557 1.363 1.127 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.731 3.892 1.201 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.497 4.002 1.011 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.690 4.862 2.344 1.00 1.55 H new ATOM 130 N VAL A 9 -19.545 1.906 3.354 1.00 1.81 N ATOM 131 CA VAL A 9 -20.653 0.939 3.226 1.00 1.87 C ATOM 132 C VAL A 9 -21.386 1.180 1.898 1.00 1.92 C ATOM 133 O VAL A 9 -21.728 0.228 1.190 1.00 1.94 O ATOM 134 CB VAL A 9 -21.606 1.014 4.438 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.923 0.250 4.225 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.932 0.400 5.673 1.00 1.91 C ATOM 0 H VAL A 9 -19.725 2.662 4.014 1.00 1.81 H new ATOM 0 HA VAL A 9 -20.248 -0.073 3.217 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.830 2.072 4.571 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.546 0.344 5.115 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.451 0.667 3.367 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.707 -0.803 4.042 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.611 0.457 6.524 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.687 -0.643 5.473 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -20.019 0.950 5.900 1.00 1.91 H new ATOM 146 N ALA A 10 -21.542 2.447 1.501 1.00 1.93 N ATOM 147 CA ALA A 10 -22.021 2.793 0.163 1.00 1.97 C ATOM 148 C ALA A 10 -21.059 2.309 -0.941 1.00 1.92 C ATOM 149 O ALA A 10 -21.514 1.677 -1.904 1.00 1.96 O ATOM 150 CB ALA A 10 -22.245 4.309 0.097 1.00 1.99 C ATOM 0 H ALA A 10 -21.341 3.253 2.093 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.965 2.280 -0.020 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.603 4.581 -0.896 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.986 4.600 0.842 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.306 4.825 0.298 1.00 1.99 H new ATOM 156 N LEU A 11 -19.737 2.516 -0.780 1.00 1.84 N ATOM 157 CA LEU A 11 -18.766 1.880 -1.680 1.00 1.80 C ATOM 158 C LEU A 11 -18.856 0.358 -1.619 1.00 1.80 C ATOM 159 O LEU A 11 -18.839 -0.251 -2.676 1.00 1.82 O ATOM 160 CB LEU A 11 -17.317 2.320 -1.428 1.00 1.71 C ATOM 161 CG LEU A 11 -16.314 1.641 -2.399 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.538 1.981 -3.873 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.894 2.067 -2.061 1.00 1.59 C ATOM 0 H LEU A 11 -19.329 3.104 -0.053 1.00 1.84 H new ATOM 0 HA LEU A 11 -19.040 2.220 -2.679 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.245 3.402 -1.535 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -17.041 2.082 -0.401 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.475 0.571 -2.267 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.795 1.466 -4.482 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.537 1.663 -4.172 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.442 3.057 -4.017 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -14.197 1.586 -2.747 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.807 3.149 -2.155 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.659 1.771 -1.039 1.00 1.59 H new ATOM 175 N TYR A 12 -18.972 -0.275 -0.449 1.00 1.80 N ATOM 176 CA TYR A 12 -19.085 -1.734 -0.345 1.00 1.81 C ATOM 177 C TYR A 12 -20.224 -2.276 -1.212 1.00 1.89 C ATOM 178 O TYR A 12 -20.002 -3.218 -1.976 1.00 1.89 O ATOM 179 CB TYR A 12 -19.241 -2.177 1.117 1.00 1.82 C ATOM 180 CG TYR A 12 -19.688 -3.618 1.294 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.920 -4.671 0.759 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.912 -3.899 1.938 1.00 1.94 C ATOM 183 CE1 TYR A 12 -19.376 -6.001 0.856 1.00 1.89 C ATOM 184 CE2 TYR A 12 -21.365 -5.227 2.045 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.601 -6.282 1.501 1.00 1.96 C ATOM 186 OH TYR A 12 -21.045 -7.567 1.587 1.00 2.02 O ATOM 0 H TYR A 12 -18.990 0.206 0.450 1.00 1.80 H new ATOM 0 HA TYR A 12 -18.156 -2.159 -0.725 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -18.288 -2.040 1.629 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.963 -1.523 1.607 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.979 -4.458 0.273 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.502 -3.093 2.349 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.789 -6.805 0.437 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -22.299 -5.439 2.544 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.902 -7.586 2.062 1.00 2.02 H new ATOM 196 N LYS A 13 -21.404 -1.639 -1.175 1.00 1.95 N ATOM 197 CA LYS A 13 -22.494 -1.977 -2.100 1.00 2.03 C ATOM 198 C LYS A 13 -22.087 -1.753 -3.558 1.00 2.02 C ATOM 199 O LYS A 13 -22.125 -2.714 -4.332 1.00 2.05 O ATOM 200 CB LYS A 13 -23.772 -1.222 -1.696 1.00 2.10 C ATOM 201 CG LYS A 13 -24.989 -1.668 -2.524 1.00 2.18 C ATOM 202 CD LYS A 13 -26.287 -0.944 -2.128 1.00 2.25 C ATOM 203 CE LYS A 13 -26.749 -1.307 -0.710 1.00 2.27 C ATOM 204 NZ LYS A 13 -28.050 -0.665 -0.379 1.00 2.34 N ATOM 0 H LYS A 13 -21.626 -0.891 -0.518 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.712 -3.042 -2.026 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.973 -1.389 -0.638 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.617 -0.151 -1.826 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.788 -1.489 -3.580 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -25.128 -2.742 -2.404 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -26.133 0.133 -2.193 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -27.073 -1.197 -2.839 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.844 -2.389 -0.623 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.994 -0.994 0.011 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.333 -0.931 0.586 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.952 0.369 -0.438 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.776 -0.983 -1.053 1.00 2.34 H new ATOM 218 N TYR A 14 -21.640 -0.551 -3.944 1.00 2.00 N ATOM 219 CA TYR A 14 -21.203 -0.335 -5.330 1.00 2.00 C ATOM 220 C TYR A 14 -20.089 -1.273 -5.833 1.00 1.95 C ATOM 221 O TYR A 14 -20.165 -1.757 -6.960 1.00 1.99 O ATOM 222 CB TYR A 14 -20.777 1.135 -5.465 1.00 1.98 C ATOM 223 CG TYR A 14 -20.574 1.591 -6.896 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.693 1.928 -7.683 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.278 1.672 -7.445 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.523 2.341 -9.017 1.00 2.14 C ATOM 227 CE2 TYR A 14 -19.104 2.077 -8.784 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.228 2.412 -9.572 1.00 2.09 C ATOM 229 OH TYR A 14 -20.057 2.769 -10.876 1.00 2.13 O ATOM 0 H TYR A 14 -21.572 0.266 -3.337 1.00 2.00 H new ATOM 0 HA TYR A 14 -22.052 -0.578 -5.969 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.533 1.766 -4.998 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.850 1.286 -4.912 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.685 1.869 -7.260 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.419 1.424 -6.840 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.383 2.603 -9.616 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -18.112 2.131 -9.207 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.101 2.768 -11.093 1.00 2.13 H new ATOM 239 N MET A 15 -19.076 -1.577 -5.017 1.00 1.88 N ATOM 240 CA MET A 15 -17.957 -2.428 -5.414 1.00 1.83 C ATOM 241 C MET A 15 -18.348 -3.912 -5.441 1.00 1.86 C ATOM 242 O MET A 15 -17.869 -4.647 -6.308 1.00 1.86 O ATOM 243 CB MET A 15 -16.685 -2.112 -4.618 1.00 1.74 C ATOM 244 CG MET A 15 -16.659 -2.620 -3.177 1.00 1.72 C ATOM 245 SD MET A 15 -15.315 -1.949 -2.153 1.00 1.62 S ATOM 246 CE MET A 15 -13.860 -2.217 -3.207 1.00 1.57 C ATOM 0 H MET A 15 -19.011 -1.237 -4.058 1.00 1.88 H new ATOM 0 HA MET A 15 -17.702 -2.190 -6.447 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.832 -2.536 -5.148 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.546 -1.031 -4.605 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.611 -2.378 -2.705 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.577 -3.707 -3.192 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.974 -1.818 -2.713 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.728 -3.285 -3.381 1.00 1.57 H new ATOM 0 HE3 MET A 15 -14.003 -1.709 -4.161 1.00 1.57 H new ATOM 256 N LYS A 16 -19.290 -4.359 -4.589 1.00 1.90 N ATOM 257 CA LYS A 16 -19.899 -5.694 -4.727 1.00 1.96 C ATOM 258 C LYS A 16 -20.700 -5.807 -6.033 1.00 2.03 C ATOM 259 O LYS A 16 -20.585 -6.809 -6.735 1.00 2.05 O ATOM 260 CB LYS A 16 -20.738 -5.997 -3.476 1.00 1.99 C ATOM 261 CG LYS A 16 -21.277 -7.434 -3.471 1.00 2.05 C ATOM 262 CD LYS A 16 -21.642 -7.875 -2.047 1.00 2.07 C ATOM 263 CE LYS A 16 -22.226 -9.291 -2.065 1.00 2.13 C ATOM 264 NZ LYS A 16 -22.266 -9.870 -0.700 1.00 2.15 N ATOM 0 H LYS A 16 -19.644 -3.817 -3.801 1.00 1.90 H new ATOM 0 HA LYS A 16 -19.118 -6.452 -4.796 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -20.130 -5.836 -2.586 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.573 -5.298 -3.423 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -22.155 -7.500 -4.113 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.528 -8.109 -3.885 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.757 -7.847 -1.412 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -22.365 -7.181 -1.618 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -23.232 -9.267 -2.483 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.626 -9.927 -2.716 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.743 -10.794 -0.729 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -21.296 -9.992 -0.346 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.788 -9.231 -0.067 1.00 2.15 H new ATOM 278 N GLU A 17 -21.391 -4.734 -6.426 1.00 2.07 N ATOM 279 CA GLU A 17 -22.015 -4.626 -7.763 1.00 2.13 C ATOM 280 C GLU A 17 -20.989 -4.436 -8.917 1.00 2.10 C ATOM 281 O GLU A 17 -21.370 -4.357 -10.087 1.00 2.16 O ATOM 282 CB GLU A 17 -23.057 -3.490 -7.713 1.00 2.18 C ATOM 283 CG GLU A 17 -24.141 -3.586 -8.795 1.00 2.27 C ATOM 284 CD GLU A 17 -25.251 -2.543 -8.560 1.00 2.33 C ATOM 285 OE1 GLU A 17 -25.143 -1.404 -9.078 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.250 -2.858 -7.869 1.00 2.37 O ATOM 0 H GLU A 17 -21.538 -3.915 -5.836 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.503 -5.572 -7.997 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.535 -3.493 -6.734 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.542 -2.535 -7.813 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.694 -3.431 -9.777 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.572 -4.587 -8.795 1.00 2.27 H new ATOM 293 N ARG A 18 -19.684 -4.387 -8.600 1.00 2.02 N ATOM 294 CA ARG A 18 -18.596 -4.335 -9.606 1.00 1.99 C ATOM 295 C ARG A 18 -17.644 -5.544 -9.505 1.00 1.95 C ATOM 296 O ARG A 18 -16.513 -5.493 -9.994 1.00 1.90 O ATOM 297 CB ARG A 18 -17.882 -2.959 -9.563 1.00 1.94 C ATOM 298 CG ARG A 18 -18.496 -1.921 -10.521 1.00 2.01 C ATOM 299 CD ARG A 18 -19.790 -1.274 -10.016 1.00 2.06 C ATOM 300 NE ARG A 18 -20.453 -0.502 -11.083 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.378 -0.937 -11.923 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.838 -2.158 -11.902 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.860 -0.134 -12.827 1.00 2.28 N ATOM 0 H ARG A 18 -19.347 -4.382 -7.637 1.00 2.02 H new ATOM 0 HA ARG A 18 -19.038 -4.423 -10.598 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.920 -2.570 -8.545 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.830 -3.096 -9.813 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.761 -1.137 -10.706 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.696 -2.403 -11.478 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.466 -2.046 -9.649 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.567 -0.618 -9.174 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.168 0.472 -11.184 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.484 -2.825 -11.216 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.552 -2.446 -12.571 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.524 0.827 -12.886 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.573 -0.466 -13.476 1.00 2.28 H new ATOM 317 N LYS A 19 -18.101 -6.650 -8.893 1.00 1.97 N ATOM 318 CA LYS A 19 -17.400 -7.948 -8.753 1.00 1.95 C ATOM 319 C LYS A 19 -16.111 -7.826 -7.931 1.00 1.86 C ATOM 320 O LYS A 19 -15.213 -8.670 -8.017 1.00 1.84 O ATOM 321 CB LYS A 19 -17.196 -8.621 -10.130 1.00 1.99 C ATOM 322 CG LYS A 19 -18.509 -8.799 -10.912 1.00 2.09 C ATOM 323 CD LYS A 19 -18.262 -9.492 -12.259 1.00 2.13 C ATOM 324 CE LYS A 19 -19.579 -9.622 -13.035 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.374 -10.266 -14.359 1.00 2.27 N ATOM 0 H LYS A 19 -19.022 -6.668 -8.456 1.00 1.97 H new ATOM 0 HA LYS A 19 -18.041 -8.616 -8.177 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.505 -8.021 -10.723 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.730 -9.596 -9.986 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -19.211 -9.387 -10.321 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.970 -7.826 -11.080 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.541 -8.921 -12.844 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.829 -10.479 -12.095 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.289 -10.207 -12.451 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -20.019 -8.634 -13.175 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.285 -10.337 -14.855 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.715 -9.694 -14.925 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.978 -11.218 -14.224 1.00 2.27 H new ATOM 339 N THR A 20 -16.052 -6.779 -7.104 1.00 1.82 N ATOM 340 CA THR A 20 -14.868 -6.463 -6.305 1.00 1.73 C ATOM 341 C THR A 20 -15.262 -6.090 -4.864 1.00 1.72 C ATOM 342 O THR A 20 -14.948 -4.991 -4.415 1.00 1.68 O ATOM 343 CB THR A 20 -14.005 -5.371 -6.991 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.836 -5.637 -8.369 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.584 -5.284 -6.426 1.00 1.61 C ATOM 0 H THR A 20 -16.825 -6.127 -6.970 1.00 1.82 H new ATOM 0 HA THR A 20 -14.246 -7.356 -6.241 1.00 1.73 H new ATOM 0 HB THR A 20 -14.550 -4.445 -6.809 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.691 -5.517 -8.833 1.00 1.72 H new ATOM 0 HG21 THR A 20 -12.032 -4.502 -6.948 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.629 -5.049 -5.363 1.00 1.61 H new ATOM 0 HG23 THR A 20 -12.078 -6.239 -6.565 1.00 1.61 H new ATOM 353 N PRO A 21 -16.004 -6.942 -4.124 1.00 1.76 N ATOM 354 CA PRO A 21 -16.438 -6.641 -2.754 1.00 1.76 C ATOM 355 C PRO A 21 -15.262 -6.563 -1.763 1.00 1.69 C ATOM 356 O PRO A 21 -14.213 -7.169 -1.974 1.00 1.66 O ATOM 357 CB PRO A 21 -17.393 -7.782 -2.384 1.00 1.84 C ATOM 358 CG PRO A 21 -16.874 -8.961 -3.203 1.00 1.85 C ATOM 359 CD PRO A 21 -16.429 -8.286 -4.497 1.00 1.82 C ATOM 0 HA PRO A 21 -16.914 -5.662 -2.701 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -17.369 -7.994 -1.315 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.425 -7.540 -2.638 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -16.049 -9.470 -2.705 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.649 -9.707 -3.379 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.613 -8.838 -4.964 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -17.245 -8.251 -5.219 1.00 1.82 H new ATOM 367 N ILE A 22 -15.474 -5.911 -0.613 1.00 1.68 N ATOM 368 CA ILE A 22 -14.514 -5.968 0.520 1.00 1.64 C ATOM 369 C ILE A 22 -14.321 -7.426 1.015 1.00 1.67 C ATOM 370 O ILE A 22 -13.279 -7.788 1.552 1.00 1.64 O ATOM 371 CB ILE A 22 -14.963 -4.975 1.626 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.896 -3.537 1.072 1.00 1.61 C ATOM 373 CG2 ILE A 22 -14.112 -5.099 2.906 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.388 -2.443 2.027 1.00 1.62 C ATOM 0 H ILE A 22 -16.297 -5.336 -0.433 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.525 -5.649 0.192 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.987 -5.221 1.906 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.864 -3.319 0.797 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.486 -3.490 0.157 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.466 -4.384 3.649 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -14.200 -6.110 3.305 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -13.068 -4.891 2.670 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -15.299 -1.471 1.543 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.431 -2.627 2.284 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.784 -2.453 2.934 1.00 1.62 H new ATOM 386 N GLU A 23 -15.311 -8.277 0.725 1.00 1.74 N ATOM 387 CA GLU A 23 -15.195 -9.740 0.893 1.00 1.78 C ATOM 388 C GLU A 23 -13.987 -10.399 0.168 1.00 1.75 C ATOM 389 O GLU A 23 -13.650 -11.542 0.491 1.00 1.78 O ATOM 390 CB GLU A 23 -16.506 -10.436 0.491 1.00 1.87 C ATOM 391 CG GLU A 23 -17.702 -9.994 1.343 1.00 1.91 C ATOM 392 CD GLU A 23 -18.955 -10.820 1.002 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.666 -10.469 0.031 1.00 2.02 O ATOM 394 OE2 GLU A 23 -19.239 -11.824 1.701 1.00 2.06 O ATOM 0 H GLU A 23 -16.218 -7.977 0.367 1.00 1.74 H new ATOM 0 HA GLU A 23 -15.000 -9.884 1.956 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.716 -10.226 -0.558 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -16.381 -11.515 0.581 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -17.463 -10.109 2.400 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.902 -8.936 1.175 1.00 1.91 H new ATOM 401 N ARG A 24 -13.287 -9.700 -0.752 1.00 1.69 N ATOM 402 CA ARG A 24 -12.003 -10.130 -1.365 1.00 1.65 C ATOM 403 C ARG A 24 -10.790 -9.256 -0.975 1.00 1.57 C ATOM 404 O ARG A 24 -9.716 -9.387 -1.563 1.00 1.53 O ATOM 405 CB ARG A 24 -12.168 -10.338 -2.889 1.00 1.67 C ATOM 406 CG ARG A 24 -11.984 -9.085 -3.771 1.00 1.62 C ATOM 407 CD ARG A 24 -12.453 -9.312 -5.218 1.00 1.67 C ATOM 408 NE ARG A 24 -11.638 -10.314 -5.930 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.837 -10.774 -7.156 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.828 -10.387 -7.912 1.00 1.77 N ATOM 411 NH2 ARG A 24 -11.019 -11.653 -7.658 1.00 1.72 N ATOM 0 H ARG A 24 -13.605 -8.796 -1.101 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.753 -11.100 -0.934 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.451 -11.093 -3.212 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -13.162 -10.744 -3.074 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.541 -8.254 -3.338 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.933 -8.797 -3.774 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.494 -9.635 -5.212 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.415 -8.367 -5.760 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.837 -10.693 -5.425 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.495 -9.698 -7.565 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.935 -10.774 -8.850 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -10.227 -11.986 -7.108 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -11.170 -12.009 -8.602 1.00 1.72 H new ATOM 425 N ILE A 25 -10.947 -8.393 0.033 1.00 1.55 N ATOM 426 CA ILE A 25 -9.957 -7.425 0.541 1.00 1.48 C ATOM 427 C ILE A 25 -9.841 -7.602 2.076 1.00 1.49 C ATOM 428 O ILE A 25 -10.403 -6.818 2.847 1.00 1.50 O ATOM 429 CB ILE A 25 -10.320 -5.973 0.124 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.736 -5.842 -1.362 1.00 1.46 C ATOM 431 CG2 ILE A 25 -9.098 -5.076 0.403 1.00 1.37 C ATOM 432 CD1 ILE A 25 -11.190 -4.432 -1.761 1.00 1.45 C ATOM 0 H ILE A 25 -11.823 -8.345 0.553 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.981 -7.618 0.097 1.00 1.48 H new ATOM 0 HB ILE A 25 -11.188 -5.666 0.708 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.895 -6.133 -1.991 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.545 -6.544 -1.566 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -9.328 -4.049 0.118 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.855 -5.112 1.465 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -8.246 -5.431 -0.177 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.464 -4.423 -2.816 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -12.052 -4.143 -1.159 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.377 -3.726 -1.592 1.00 1.45 H new ATOM 444 N PRO A 26 -9.360 -8.791 2.520 1.00 1.53 N ATOM 445 CA PRO A 26 -9.326 -9.178 3.953 1.00 1.57 C ATOM 446 C PRO A 26 -8.481 -8.365 4.940 1.00 1.52 C ATOM 447 O PRO A 26 -8.883 -8.251 6.101 1.00 1.50 O ATOM 448 CB PRO A 26 -8.832 -10.632 3.925 1.00 1.62 C ATOM 449 CG PRO A 26 -8.145 -10.786 2.621 1.00 1.59 C ATOM 450 CD PRO A 26 -8.880 -9.892 1.663 1.00 1.55 C ATOM 0 HA PRO A 26 -10.324 -8.995 4.351 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -8.153 -10.833 4.754 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.663 -11.332 4.017 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -7.096 -10.500 2.696 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -8.170 -11.823 2.286 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -8.226 -9.528 0.871 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -9.706 -10.414 1.180 1.00 1.55 H new ATOM 458 N TYR A 27 -7.347 -7.794 4.551 1.00 1.52 N ATOM 459 CA TYR A 27 -6.528 -7.104 5.559 1.00 1.49 C ATOM 460 C TYR A 27 -5.853 -5.811 5.099 1.00 1.38 C ATOM 461 O TYR A 27 -5.805 -5.475 3.915 1.00 1.34 O ATOM 462 CB TYR A 27 -5.400 -8.033 6.023 1.00 1.61 C ATOM 463 CG TYR A 27 -5.810 -9.262 6.806 1.00 1.65 C ATOM 464 CD1 TYR A 27 -6.220 -9.168 8.129 1.00 1.91 C ATOM 465 CD2 TYR A 27 -5.740 -10.526 6.228 1.00 1.76 C ATOM 466 CE1 TYR A 27 -6.550 -10.299 8.856 1.00 2.21 C ATOM 467 CE2 TYR A 27 -6.076 -11.659 6.945 1.00 2.09 C ATOM 468 CZ TYR A 27 -6.476 -11.541 8.258 1.00 2.29 C ATOM 469 OH TYR A 27 -6.797 -12.669 8.977 1.00 2.75 O ATOM 0 H TYR A 27 -6.981 -7.788 3.599 1.00 1.52 H new ATOM 0 HA TYR A 27 -7.239 -6.841 6.342 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.845 -8.359 5.144 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.712 -7.452 6.637 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -6.283 -8.197 8.598 1.00 1.91 H new ATOM 0 HD2 TYR A 27 -5.418 -10.623 5.202 1.00 1.76 H new ATOM 0 HE1 TYR A 27 -6.864 -10.210 9.886 1.00 2.21 H new ATOM 0 HE2 TYR A 27 -6.025 -12.632 6.478 1.00 2.09 H new ATOM 0 HH TYR A 27 -6.693 -13.460 8.408 1.00 2.75 H new ATOM 479 N LEU A 28 -5.322 -5.116 6.114 1.00 1.39 N ATOM 480 CA LEU A 28 -4.527 -3.895 5.974 1.00 1.35 C ATOM 481 C LEU A 28 -3.106 -4.324 6.294 1.00 1.35 C ATOM 482 O LEU A 28 -2.963 -5.317 6.991 1.00 1.38 O ATOM 483 CB LEU A 28 -4.997 -2.806 6.942 1.00 1.42 C ATOM 484 CG LEU A 28 -4.050 -1.622 7.135 1.00 1.37 C ATOM 485 CD1 LEU A 28 -4.319 -0.557 6.087 1.00 1.58 C ATOM 486 CD2 LEU A 28 -4.195 -1.046 8.538 1.00 1.77 C ATOM 0 H LEU A 28 -5.440 -5.400 7.086 1.00 1.39 H new ATOM 0 HA LEU A 28 -4.618 -3.464 4.977 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -5.955 -2.425 6.590 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -5.175 -3.265 7.915 1.00 1.42 H new ATOM 0 HG LEU A 28 -3.025 -1.972 7.015 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -3.638 0.281 6.236 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -4.165 -0.977 5.093 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -5.348 -0.208 6.178 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -3.513 -0.204 8.658 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -5.220 -0.707 8.688 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.955 -1.814 9.273 1.00 1.77 H new ATOM 583 N ASN A 34 -9.769 -1.344 8.286 1.00 1.56 N ATOM 584 CA ASN A 34 -9.936 0.005 8.877 1.00 1.58 C ATOM 585 C ASN A 34 -9.634 1.123 7.856 1.00 1.57 C ATOM 586 O ASN A 34 -8.622 1.822 7.958 1.00 1.91 O ATOM 587 CB ASN A 34 -9.049 0.149 10.120 1.00 1.60 C ATOM 588 CG ASN A 34 -9.492 -0.767 11.246 1.00 1.73 C ATOM 589 OD1 ASN A 34 -9.010 -1.893 11.375 1.00 2.14 O ATOM 590 ND2 ASN A 34 -10.426 -0.291 12.063 1.00 2.10 N ATOM 0 HA ASN A 34 -10.980 0.113 9.171 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -8.016 -0.076 9.856 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.072 1.183 10.464 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -10.771 -0.865 12.833 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -10.798 0.648 11.920 1.00 2.10 H new ATOM 597 N LEU A 35 -10.522 1.262 6.869 1.00 1.38 N ATOM 598 CA LEU A 35 -10.364 2.233 5.779 1.00 1.34 C ATOM 599 C LEU A 35 -10.204 3.689 6.239 1.00 1.32 C ATOM 600 O LEU A 35 -9.276 4.369 5.806 1.00 1.28 O ATOM 601 CB LEU A 35 -11.560 2.120 4.822 1.00 1.40 C ATOM 602 CG LEU A 35 -11.369 2.739 3.428 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.570 4.245 3.467 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.993 2.408 2.870 1.00 1.52 C ATOM 0 H LEU A 35 -11.373 0.704 6.801 1.00 1.38 H new ATOM 0 HA LEU A 35 -9.430 1.978 5.279 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.803 1.065 4.699 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -12.422 2.593 5.292 1.00 1.40 H new ATOM 0 HG LEU A 35 -12.123 2.308 2.770 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.429 4.657 2.468 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.579 4.469 3.813 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.846 4.691 4.149 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.883 2.857 1.883 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -9.226 2.803 3.536 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.883 1.326 2.790 1.00 1.52 H new ATOM 616 N TRP A 36 -11.117 4.168 7.082 1.00 1.37 N ATOM 617 CA TRP A 36 -11.086 5.560 7.559 1.00 1.37 C ATOM 618 C TRP A 36 -9.715 5.959 8.130 1.00 1.32 C ATOM 619 O TRP A 36 -9.305 7.112 8.013 1.00 1.31 O ATOM 620 CB TRP A 36 -12.194 5.788 8.602 1.00 1.45 C ATOM 621 CG TRP A 36 -12.141 4.835 9.756 1.00 1.50 C ATOM 622 CD1 TRP A 36 -12.431 3.501 9.730 1.00 1.55 C ATOM 623 CD2 TRP A 36 -11.784 5.143 11.106 1.00 1.53 C ATOM 624 NE1 TRP A 36 -12.246 2.956 10.974 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.855 3.944 11.838 1.00 1.60 C ATOM 626 CE3 TRP A 36 -11.403 6.314 11.766 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -11.557 3.882 13.195 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -11.109 6.252 13.115 1.00 1.61 C ATOM 629 CH2 TRP A 36 -11.186 5.042 13.816 1.00 1.66 C ATOM 0 H TRP A 36 -11.891 3.616 7.452 1.00 1.37 H new ATOM 0 HA TRP A 36 -11.265 6.201 6.696 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -12.120 6.807 8.981 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -13.164 5.699 8.113 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.758 2.955 8.857 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -12.378 1.974 11.217 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -11.339 7.250 11.232 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -11.617 2.951 13.739 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -10.815 7.151 13.637 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.947 5.025 14.869 1.00 1.66 H new ATOM 640 N THR A 37 -9.016 5.000 8.735 1.00 1.32 N ATOM 641 CA THR A 37 -7.692 5.246 9.337 1.00 1.29 C ATOM 642 C THR A 37 -6.582 5.359 8.288 1.00 1.23 C ATOM 643 O THR A 37 -5.841 6.339 8.313 1.00 1.21 O ATOM 644 CB THR A 37 -7.324 4.159 10.361 1.00 1.34 C ATOM 645 OG1 THR A 37 -8.280 4.130 11.398 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.976 4.400 11.043 1.00 1.35 C ATOM 0 H THR A 37 -9.341 4.037 8.825 1.00 1.32 H new ATOM 0 HA THR A 37 -7.772 6.205 9.849 1.00 1.29 H new ATOM 0 HB THR A 37 -7.285 3.229 9.793 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.040 3.434 12.045 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.778 3.597 11.753 1.00 1.35 H new ATOM 0 HG22 THR A 37 -5.187 4.423 10.291 1.00 1.35 H new ATOM 0 HG23 THR A 37 -6.001 5.353 11.572 1.00 1.35 H new ATOM 654 N MET A 38 -6.464 4.424 7.332 1.00 1.20 N ATOM 655 CA MET A 38 -5.482 4.582 6.237 1.00 1.15 C ATOM 656 C MET A 38 -5.784 5.810 5.357 1.00 1.13 C ATOM 657 O MET A 38 -4.862 6.446 4.850 1.00 1.11 O ATOM 658 CB MET A 38 -5.315 3.309 5.387 1.00 1.14 C ATOM 659 CG MET A 38 -6.588 2.816 4.695 1.00 1.17 C ATOM 660 SD MET A 38 -6.295 1.824 3.206 1.00 1.17 S ATOM 661 CE MET A 38 -7.177 0.292 3.608 1.00 1.25 C ATOM 0 H MET A 38 -7.019 3.569 7.290 1.00 1.20 H new ATOM 0 HA MET A 38 -4.523 4.756 6.726 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.556 3.496 4.627 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.936 2.512 6.026 1.00 1.14 H new ATOM 0 HG2 MET A 38 -7.166 2.223 5.404 1.00 1.17 H new ATOM 0 HG3 MET A 38 -7.199 3.678 4.428 1.00 1.17 H new ATOM 0 HE1 MET A 38 -7.344 -0.282 2.696 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.582 -0.298 4.305 1.00 1.25 H new ATOM 0 HE3 MET A 38 -8.137 0.534 4.065 1.00 1.25 H new ATOM 671 N PHE A 39 -7.065 6.180 5.240 1.00 1.17 N ATOM 672 CA PHE A 39 -7.471 7.419 4.583 1.00 1.19 C ATOM 673 C PHE A 39 -6.963 8.659 5.318 1.00 1.20 C ATOM 674 O PHE A 39 -6.180 9.412 4.743 1.00 1.20 O ATOM 675 CB PHE A 39 -8.988 7.469 4.398 1.00 1.25 C ATOM 676 CG PHE A 39 -9.449 8.764 3.752 1.00 1.30 C ATOM 677 CD1 PHE A 39 -9.077 9.056 2.425 1.00 1.30 C ATOM 678 CD2 PHE A 39 -10.203 9.699 4.487 1.00 1.36 C ATOM 679 CE1 PHE A 39 -9.470 10.265 1.828 1.00 1.37 C ATOM 680 CE2 PHE A 39 -10.584 10.917 3.894 1.00 1.43 C ATOM 681 CZ PHE A 39 -10.214 11.201 2.567 1.00 1.44 C ATOM 0 H PHE A 39 -7.844 5.628 5.598 1.00 1.17 H new ATOM 0 HA PHE A 39 -7.006 7.425 3.597 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -9.304 6.626 3.783 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -9.474 7.356 5.367 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -8.487 8.347 1.864 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -10.489 9.481 5.506 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -9.201 10.475 0.803 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -11.161 11.634 4.458 1.00 1.43 H new ATOM 0 HZ PHE A 39 -10.502 12.139 2.116 1.00 1.44 H new ATOM 691 N GLN A 40 -7.336 8.878 6.589 1.00 1.24 N ATOM 692 CA GLN A 40 -6.850 10.072 7.305 1.00 1.27 C ATOM 693 C GLN A 40 -5.317 10.085 7.474 1.00 1.25 C ATOM 694 O GLN A 40 -4.713 11.159 7.472 1.00 1.28 O ATOM 695 CB GLN A 40 -7.602 10.251 8.636 1.00 1.33 C ATOM 696 CG GLN A 40 -7.183 9.241 9.712 1.00 1.33 C ATOM 697 CD GLN A 40 -8.192 9.151 10.850 1.00 1.39 C ATOM 698 OE1 GLN A 40 -8.025 9.711 11.924 1.00 1.44 O ATOM 699 NE2 GLN A 40 -9.270 8.425 10.652 1.00 1.40 N ATOM 0 H GLN A 40 -7.951 8.269 7.128 1.00 1.24 H new ATOM 0 HA GLN A 40 -7.073 10.941 6.685 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -7.430 11.261 9.009 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -8.673 10.156 8.456 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -7.065 8.258 9.257 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -6.211 9.525 10.114 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -9.412 7.957 9.757 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.964 8.330 11.393 1.00 1.40 H new ATOM 708 N ALA A 41 -4.670 8.914 7.529 1.00 1.21 N ATOM 709 CA ALA A 41 -3.216 8.796 7.460 1.00 1.20 C ATOM 710 C ALA A 41 -2.666 9.294 6.114 1.00 1.18 C ATOM 711 O ALA A 41 -1.823 10.188 6.096 1.00 1.21 O ATOM 712 CB ALA A 41 -2.814 7.343 7.732 1.00 1.18 C ATOM 0 H ALA A 41 -5.148 8.018 7.623 1.00 1.21 H new ATOM 0 HA ALA A 41 -2.775 9.435 8.225 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.729 7.250 7.681 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -3.157 7.050 8.724 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -3.269 6.694 6.984 1.00 1.18 H new ATOM 718 N ALA A 42 -3.182 8.803 4.983 1.00 1.14 N ATOM 719 CA ALA A 42 -2.803 9.293 3.657 1.00 1.14 C ATOM 720 C ALA A 42 -3.041 10.802 3.495 1.00 1.20 C ATOM 721 O ALA A 42 -2.203 11.489 2.926 1.00 1.23 O ATOM 722 CB ALA A 42 -3.550 8.490 2.585 1.00 1.11 C ATOM 0 H ALA A 42 -3.874 8.054 4.963 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.730 9.145 3.536 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -3.269 8.853 1.597 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -3.288 7.436 2.672 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.625 8.610 2.724 1.00 1.11 H new ATOM 728 N GLN A 43 -4.134 11.335 4.054 1.00 1.23 N ATOM 729 CA GLN A 43 -4.440 12.769 3.979 1.00 1.31 C ATOM 730 C GLN A 43 -3.467 13.624 4.819 1.00 1.35 C ATOM 731 O GLN A 43 -3.233 14.787 4.487 1.00 1.42 O ATOM 732 CB GLN A 43 -5.903 13.035 4.373 1.00 1.35 C ATOM 733 CG GLN A 43 -6.932 12.433 3.393 1.00 1.35 C ATOM 734 CD GLN A 43 -6.757 12.893 1.944 1.00 1.38 C ATOM 735 OE1 GLN A 43 -6.622 14.071 1.640 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.733 11.984 0.991 1.00 1.35 N ATOM 0 H GLN A 43 -4.826 10.790 4.567 1.00 1.23 H new ATOM 0 HA GLN A 43 -4.303 13.074 2.941 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -6.081 12.627 5.368 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -6.062 14.111 4.436 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.860 11.346 3.429 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.935 12.697 3.728 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.844 10.997 1.224 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.604 12.267 0.020 1.00 1.35 H new ATOM 745 N LYS A 44 -2.845 13.028 5.847 1.00 1.33 N ATOM 746 CA LYS A 44 -1.763 13.682 6.601 1.00 1.39 C ATOM 747 C LYS A 44 -0.440 13.598 5.839 1.00 1.39 C ATOM 748 O LYS A 44 0.235 14.612 5.659 1.00 1.45 O ATOM 749 CB LYS A 44 -1.675 13.037 7.995 1.00 1.39 C ATOM 750 CG LYS A 44 -0.750 13.815 8.942 1.00 1.47 C ATOM 751 CD LYS A 44 -0.561 13.113 10.294 1.00 1.49 C ATOM 752 CE LYS A 44 -1.893 12.837 11.007 1.00 1.49 C ATOM 753 NZ LYS A 44 -1.664 12.313 12.377 1.00 1.53 N ATOM 0 H LYS A 44 -3.073 12.090 6.177 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.980 14.743 6.722 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -2.673 12.981 8.430 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -1.313 12.014 7.897 1.00 1.39 H new ATOM 0 HG2 LYS A 44 0.222 13.947 8.467 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -1.161 14.811 9.108 1.00 1.47 H new ATOM 0 HD2 LYS A 44 -0.034 12.172 10.140 1.00 1.49 H new ATOM 0 HD3 LYS A 44 0.069 13.730 10.935 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -2.479 13.754 11.058 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -2.476 12.118 10.431 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -2.579 12.134 12.838 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -1.124 11.426 12.324 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -1.128 13.011 12.931 1.00 1.53 H new ATOM 767 N LEU A 45 -0.130 12.407 5.323 1.00 1.32 N ATOM 768 CA LEU A 45 1.030 12.196 4.447 1.00 1.32 C ATOM 769 C LEU A 45 0.865 12.780 3.004 1.00 1.34 C ATOM 770 O LEU A 45 1.689 12.483 2.135 1.00 1.34 O ATOM 771 CB LEU A 45 1.446 10.693 4.498 1.00 1.27 C ATOM 772 CG LEU A 45 2.120 10.127 5.785 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.219 11.050 6.317 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.161 9.837 6.936 1.00 1.29 C ATOM 0 H LEU A 45 -0.673 11.562 5.499 1.00 1.32 H new ATOM 0 HA LEU A 45 1.861 12.786 4.834 1.00 1.32 H new ATOM 0 HB2 LEU A 45 0.551 10.100 4.310 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.128 10.514 3.666 1.00 1.27 H new ATOM 0 HG LEU A 45 2.539 9.179 5.447 1.00 1.30 H new ATOM 0 HD11 LEU A 45 3.658 10.613 7.214 1.00 1.39 H new ATOM 0 HD12 LEU A 45 3.991 11.172 5.557 1.00 1.39 H new ATOM 0 HD13 LEU A 45 2.791 12.023 6.559 1.00 1.39 H new ATOM 0 HD21 LEU A 45 1.721 9.447 7.786 1.00 1.29 H new ATOM 0 HD22 LEU A 45 0.653 10.756 7.227 1.00 1.29 H new ATOM 0 HD23 LEU A 45 0.424 9.100 6.618 1.00 1.29 H new ATOM 786 N GLY A 46 -0.150 13.629 2.749 1.00 1.36 N ATOM 787 CA GLY A 46 -0.205 14.429 1.496 1.00 1.42 C ATOM 788 C GLY A 46 -1.179 13.963 0.394 1.00 1.40 C ATOM 789 O GLY A 46 -0.983 14.252 -0.790 1.00 1.44 O ATOM 0 H GLY A 46 -0.936 13.782 3.381 1.00 1.36 H new ATOM 0 HA2 GLY A 46 -0.464 15.454 1.763 1.00 1.42 H new ATOM 0 HA3 GLY A 46 0.798 14.455 1.069 1.00 1.42 H new ATOM 793 N GLY A 47 -2.218 13.242 0.809 1.00 1.34 N ATOM 794 CA GLY A 47 -3.126 12.534 -0.090 1.00 1.32 C ATOM 795 C GLY A 47 -2.440 11.469 -0.951 1.00 1.28 C ATOM 796 O GLY A 47 -1.212 11.357 -1.003 1.00 1.27 O ATOM 0 H GLY A 47 -2.456 13.132 1.795 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.910 12.060 0.500 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.612 13.258 -0.744 1.00 1.32 H new ATOM 800 N TYR A 48 -3.255 10.710 -1.687 1.00 1.27 N ATOM 801 CA TYR A 48 -2.750 9.776 -2.706 1.00 1.26 C ATOM 802 C TYR A 48 -1.796 10.430 -3.730 1.00 1.32 C ATOM 803 O TYR A 48 -0.980 9.742 -4.346 1.00 1.31 O ATOM 804 CB TYR A 48 -3.942 9.115 -3.404 1.00 1.28 C ATOM 805 CG TYR A 48 -3.591 7.873 -4.205 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.431 6.639 -3.546 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.435 7.948 -5.603 1.00 1.33 C ATOM 808 CE1 TYR A 48 -3.152 5.472 -4.281 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.136 6.786 -6.340 1.00 1.33 C ATOM 810 CZ TYR A 48 -3.006 5.545 -5.683 1.00 1.27 C ATOM 811 OH TYR A 48 -2.745 4.425 -6.409 1.00 1.29 O ATOM 0 H TYR A 48 -4.271 10.721 -1.599 1.00 1.27 H new ATOM 0 HA TYR A 48 -2.146 9.026 -2.195 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.686 8.850 -2.653 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.407 9.842 -4.070 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.523 6.588 -2.471 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.545 8.896 -6.109 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -3.050 4.524 -3.774 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -3.006 6.845 -7.411 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.677 4.659 -7.358 1.00 1.29 H new ATOM 821 N GLU A 49 -1.852 11.755 -3.904 1.00 1.39 N ATOM 822 CA GLU A 49 -1.032 12.447 -4.911 1.00 1.47 C ATOM 823 C GLU A 49 0.426 12.618 -4.471 1.00 1.46 C ATOM 824 O GLU A 49 1.333 12.254 -5.225 1.00 1.48 O ATOM 825 CB GLU A 49 -1.662 13.802 -5.253 1.00 1.57 C ATOM 826 CG GLU A 49 -2.896 13.605 -6.145 1.00 1.61 C ATOM 827 CD GLU A 49 -3.681 14.913 -6.317 1.00 1.71 C ATOM 828 OE1 GLU A 49 -3.212 15.833 -7.032 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.793 15.008 -5.746 1.00 1.72 O ATOM 0 H GLU A 49 -2.456 12.372 -3.361 1.00 1.39 H new ATOM 0 HA GLU A 49 -1.012 11.821 -5.803 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.946 14.320 -4.337 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.933 14.432 -5.763 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.585 13.235 -7.122 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.544 12.845 -5.708 1.00 1.61 H new ATOM 836 N THR A 50 0.683 13.081 -3.239 1.00 1.44 N ATOM 837 CA THR A 50 2.041 13.065 -2.668 1.00 1.45 C ATOM 838 C THR A 50 2.528 11.627 -2.497 1.00 1.37 C ATOM 839 O THR A 50 3.689 11.331 -2.775 1.00 1.40 O ATOM 840 CB THR A 50 2.129 13.804 -1.324 1.00 1.46 C ATOM 841 OG1 THR A 50 1.672 15.133 -1.473 1.00 1.54 O ATOM 842 CG2 THR A 50 3.558 13.903 -0.788 1.00 1.50 C ATOM 0 H THR A 50 -0.028 13.470 -2.619 1.00 1.44 H new ATOM 0 HA THR A 50 2.683 13.594 -3.373 1.00 1.45 H new ATOM 0 HB THR A 50 1.519 13.226 -0.630 1.00 1.46 H new ATOM 0 HG1 THR A 50 0.710 15.170 -1.291 1.00 1.54 H new ATOM 0 HG21 THR A 50 3.554 14.435 0.163 1.00 1.50 H new ATOM 0 HG22 THR A 50 3.962 12.901 -0.641 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.178 14.443 -1.503 1.00 1.50 H new ATOM 850 N ILE A 51 1.628 10.710 -2.125 1.00 1.30 N ATOM 851 CA ILE A 51 1.940 9.276 -2.061 1.00 1.24 C ATOM 852 C ILE A 51 2.467 8.736 -3.401 1.00 1.27 C ATOM 853 O ILE A 51 3.477 8.036 -3.418 1.00 1.27 O ATOM 854 CB ILE A 51 0.701 8.516 -1.517 1.00 1.18 C ATOM 855 CG1 ILE A 51 0.858 8.169 -0.024 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.345 7.241 -2.290 1.00 1.15 C ATOM 857 CD1 ILE A 51 0.758 9.399 0.890 1.00 1.17 C ATOM 0 H ILE A 51 0.669 10.938 -1.861 1.00 1.30 H new ATOM 0 HA ILE A 51 2.763 9.109 -1.366 1.00 1.24 H new ATOM 0 HB ILE A 51 -0.123 9.216 -1.658 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.090 7.449 0.259 1.00 1.14 H new ATOM 0 HG13 ILE A 51 1.822 7.685 0.132 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.532 6.776 -1.840 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.130 7.493 -3.328 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.184 6.546 -2.252 1.00 1.15 H new ATOM 0 HD11 ILE A 51 0.876 9.091 1.929 1.00 1.17 H new ATOM 0 HD12 ILE A 51 1.543 10.110 0.631 1.00 1.17 H new ATOM 0 HD13 ILE A 51 -0.216 9.871 0.760 1.00 1.17 H new ATOM 869 N THR A 52 1.830 9.084 -4.517 1.00 1.30 N ATOM 870 CA THR A 52 2.268 8.624 -5.849 1.00 1.35 C ATOM 871 C THR A 52 3.538 9.333 -6.311 1.00 1.42 C ATOM 872 O THR A 52 4.416 8.694 -6.896 1.00 1.45 O ATOM 873 CB THR A 52 1.135 8.803 -6.871 1.00 1.39 C ATOM 874 OG1 THR A 52 0.045 8.007 -6.458 1.00 1.34 O ATOM 875 CG2 THR A 52 1.496 8.321 -8.277 1.00 1.45 C ATOM 0 H THR A 52 1.006 9.684 -4.533 1.00 1.30 H new ATOM 0 HA THR A 52 2.508 7.564 -5.771 1.00 1.35 H new ATOM 0 HB THR A 52 0.919 9.871 -6.912 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.438 8.462 -5.737 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.649 8.479 -8.944 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.356 8.881 -8.644 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.741 7.259 -8.246 1.00 1.45 H new ATOM 883 N ALA A 53 3.686 10.619 -5.987 1.00 1.47 N ATOM 884 CA ALA A 53 4.903 11.372 -6.289 1.00 1.55 C ATOM 885 C ALA A 53 6.134 10.934 -5.461 1.00 1.54 C ATOM 886 O ALA A 53 7.261 11.179 -5.905 1.00 1.61 O ATOM 887 CB ALA A 53 4.602 12.860 -6.073 1.00 1.61 C ATOM 0 H ALA A 53 2.969 11.165 -5.510 1.00 1.47 H new ATOM 0 HA ALA A 53 5.176 11.170 -7.325 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.494 13.447 -6.291 1.00 1.61 H new ATOM 0 HB2 ALA A 53 3.794 13.168 -6.736 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.304 13.024 -5.037 1.00 1.61 H new ATOM 893 N ARG A 54 5.941 10.301 -4.287 1.00 1.47 N ATOM 894 CA ARG A 54 7.058 10.065 -3.335 1.00 1.49 C ATOM 895 C ARG A 54 7.182 8.642 -2.766 1.00 1.44 C ATOM 896 O ARG A 54 8.165 8.367 -2.079 1.00 1.48 O ATOM 897 CB ARG A 54 6.931 11.060 -2.160 1.00 1.51 C ATOM 898 CG ARG A 54 6.990 12.556 -2.523 1.00 1.59 C ATOM 899 CD ARG A 54 8.336 13.009 -3.113 1.00 1.68 C ATOM 900 NE ARG A 54 9.469 12.777 -2.191 1.00 1.72 N ATOM 901 CZ ARG A 54 9.834 13.522 -1.162 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.202 14.613 -0.827 1.00 1.79 N ATOM 903 NH2 ARG A 54 10.861 13.182 -0.439 1.00 1.82 N ATOM 0 H ARG A 54 5.038 9.946 -3.973 1.00 1.47 H new ATOM 0 HA ARG A 54 7.963 10.212 -3.924 1.00 1.49 H new ATOM 0 HB2 ARG A 54 5.987 10.869 -1.650 1.00 1.51 H new ATOM 0 HB3 ARG A 54 7.727 10.850 -1.446 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.199 12.776 -3.240 1.00 1.59 H new ATOM 0 HG3 ARG A 54 6.782 13.144 -1.629 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.517 12.476 -4.046 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.283 14.070 -3.357 1.00 1.68 H new ATOM 0 HE ARG A 54 10.034 11.947 -2.370 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.393 14.920 -1.367 1.00 1.79 H new ATOM 0 HH12 ARG A 54 9.517 15.159 -0.025 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.387 12.338 -0.666 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.140 13.759 0.354 1.00 1.82 H new ATOM 917 N ARG A 55 6.225 7.739 -3.033 1.00 1.37 N ATOM 918 CA ARG A 55 6.085 6.415 -2.375 1.00 1.32 C ATOM 919 C ARG A 55 6.094 6.584 -0.852 1.00 1.31 C ATOM 920 O ARG A 55 6.892 6.009 -0.113 1.00 1.35 O ATOM 921 CB ARG A 55 7.096 5.390 -2.945 1.00 1.37 C ATOM 922 CG ARG A 55 7.214 5.399 -4.485 1.00 1.40 C ATOM 923 CD ARG A 55 5.891 5.168 -5.238 1.00 1.35 C ATOM 924 NE ARG A 55 5.744 6.089 -6.386 1.00 1.40 N ATOM 925 CZ ARG A 55 6.251 5.971 -7.598 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.981 4.954 -7.963 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.021 6.906 -8.471 1.00 1.51 N ATOM 0 H ARG A 55 5.502 7.908 -3.732 1.00 1.37 H new ATOM 0 HA ARG A 55 5.115 5.977 -2.610 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.078 5.590 -2.516 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.804 4.391 -2.621 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.630 6.357 -4.797 1.00 1.40 H new ATOM 0 HG3 ARG A 55 7.925 4.629 -4.785 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.849 4.138 -5.591 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.054 5.305 -4.553 1.00 1.35 H new ATOM 0 HE ARG A 55 5.179 6.921 -6.219 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.181 4.206 -7.299 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.351 4.907 -8.912 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.456 7.715 -8.214 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.406 6.830 -9.413 1.00 1.51 H new ATOM 941 N GLN A 56 5.156 7.433 -0.421 1.00 1.28 N ATOM 942 CA GLN A 56 5.077 7.873 0.977 1.00 1.29 C ATOM 943 C GLN A 56 4.328 6.867 1.880 1.00 1.24 C ATOM 944 O GLN A 56 4.214 7.109 3.080 1.00 1.25 O ATOM 945 CB GLN A 56 4.463 9.286 1.054 1.00 1.30 C ATOM 946 CG GLN A 56 5.101 10.188 2.128 1.00 1.37 C ATOM 947 CD GLN A 56 6.339 10.929 1.619 1.00 1.46 C ATOM 948 OE1 GLN A 56 7.543 10.534 1.974 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.245 11.901 0.883 1.00 1.51 N flip ATOM 0 H GLN A 56 4.436 7.832 -1.024 1.00 1.28 H new ATOM 0 HA GLN A 56 6.094 7.916 1.367 1.00 1.29 H new ATOM 0 HB2 GLN A 56 4.564 9.769 0.082 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.396 9.197 1.256 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.364 10.914 2.471 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.375 9.580 2.990 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.326 12.232 0.590 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.086 12.381 0.562 1.00 1.51 H new ATOM 958 N TRP A 57 3.853 5.725 1.354 1.00 1.19 N ATOM 959 CA TRP A 57 3.233 4.652 2.151 1.00 1.17 C ATOM 960 C TRP A 57 4.114 4.161 3.302 1.00 1.24 C ATOM 961 O TRP A 57 3.588 3.840 4.365 1.00 1.24 O ATOM 962 CB TRP A 57 2.808 3.465 1.279 1.00 1.15 C ATOM 963 CG TRP A 57 1.637 3.732 0.399 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.685 4.060 -0.909 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.226 3.699 0.764 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.400 4.259 -1.368 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.540 4.067 -0.380 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.482 3.413 1.950 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.937 4.177 -0.341 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.882 3.504 1.999 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.605 3.890 0.860 1.00 1.06 C ATOM 0 H TRP A 57 3.889 5.519 0.356 1.00 1.19 H new ATOM 0 HA TRP A 57 2.345 5.105 2.592 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.652 3.166 0.658 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.574 2.620 1.927 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.584 4.152 -1.500 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.172 4.518 -2.328 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.062 3.119 2.835 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.489 4.477 -1.219 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.404 3.276 2.916 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.681 3.967 0.908 1.00 1.06 H new ATOM 982 N LYS A 58 5.430 4.203 3.149 1.00 1.32 N ATOM 983 CA LYS A 58 6.315 3.812 4.246 1.00 1.42 C ATOM 984 C LYS A 58 6.040 4.707 5.471 1.00 1.43 C ATOM 985 O LYS A 58 6.175 4.275 6.615 1.00 1.51 O ATOM 986 CB LYS A 58 7.781 3.931 3.814 1.00 1.54 C ATOM 987 CG LYS A 58 8.637 2.707 4.131 1.00 1.98 C ATOM 988 CD LYS A 58 8.018 1.407 3.622 1.00 2.07 C ATOM 989 CE LYS A 58 7.767 1.441 2.120 1.00 2.58 C ATOM 990 NZ LYS A 58 9.030 1.540 1.341 1.00 2.89 N ATOM 0 H LYS A 58 5.905 4.497 2.296 1.00 1.32 H new ATOM 0 HA LYS A 58 6.121 2.773 4.512 1.00 1.42 H new ATOM 0 HB2 LYS A 58 7.816 4.115 2.740 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.220 4.802 4.301 1.00 1.54 H new ATOM 0 HG2 LYS A 58 9.624 2.834 3.686 1.00 1.98 H new ATOM 0 HG3 LYS A 58 8.780 2.638 5.209 1.00 1.98 H new ATOM 0 HD2 LYS A 58 8.679 0.574 3.860 1.00 2.07 H new ATOM 0 HD3 LYS A 58 7.077 1.226 4.142 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.229 0.541 1.823 1.00 2.58 H new ATOM 0 HE3 LYS A 58 7.126 2.290 1.880 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 8.816 1.492 0.324 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.499 2.444 1.554 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.660 0.754 1.600 1.00 2.89 H new ATOM 1004 N HIS A 59 5.659 5.964 5.198 1.00 1.39 N ATOM 1005 CA HIS A 59 5.328 6.954 6.233 1.00 1.40 C ATOM 1006 C HIS A 59 3.913 6.712 6.810 1.00 1.32 C ATOM 1007 O HIS A 59 3.656 6.998 7.975 1.00 1.35 O ATOM 1008 CB HIS A 59 5.505 8.367 5.669 1.00 1.43 C ATOM 1009 CG HIS A 59 6.895 8.611 5.143 1.00 1.58 C ATOM 1010 ND1 HIS A 59 7.543 8.101 4.061 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 7.799 9.450 5.760 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 8.807 8.636 4.048 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 8.935 9.449 5.082 1.00 1.79 N flip ATOM 0 H HIS A 59 5.572 6.324 4.248 1.00 1.39 H new ATOM 0 HA HIS A 59 6.016 6.843 7.071 1.00 1.40 H new ATOM 0 HB2 HIS A 59 4.784 8.527 4.867 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.282 9.096 6.448 1.00 1.43 H new ATOM 0 HD2 HIS A 59 7.609 10.020 6.658 1.00 1.59 H new ATOM 0 HE1 HIS A 59 9.571 8.427 3.314 1.00 1.93 H new ATOM 0 HE2 HIS A 59 9.770 9.986 5.318 1.00 1.79 H new ATOM 1022 N ILE A 60 2.990 6.244 5.960 1.00 1.23 N ATOM 1023 CA ILE A 60 1.644 5.834 6.385 1.00 1.20 C ATOM 1024 C ILE A 60 1.821 4.688 7.378 1.00 1.27 C ATOM 1025 O ILE A 60 1.237 4.753 8.448 1.00 1.33 O ATOM 1026 CB ILE A 60 0.723 5.469 5.200 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.358 6.771 4.452 1.00 1.14 C ATOM 1028 CG2 ILE A 60 -0.545 4.735 5.685 1.00 1.18 C ATOM 1029 CD1 ILE A 60 -0.381 6.551 3.130 1.00 1.14 C ATOM 0 H ILE A 60 3.154 6.139 4.959 1.00 1.23 H new ATOM 0 HA ILE A 60 1.131 6.668 6.863 1.00 1.20 H new ATOM 0 HB ILE A 60 1.244 4.789 4.526 1.00 1.15 H new ATOM 0 HG12 ILE A 60 -0.261 7.389 5.103 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.272 7.332 4.255 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -1.174 4.491 4.829 1.00 1.18 H new ATOM 0 HG22 ILE A 60 -0.260 3.817 6.199 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -1.098 5.378 6.370 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.599 7.515 2.670 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.243 5.962 2.458 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -1.314 6.020 3.319 1.00 1.14 H new ATOM 1238 N THR A 77 -0.684 -1.775 0.700 1.00 1.35 N ATOM 1239 CA THR A 77 -1.914 -1.017 0.926 1.00 1.39 C ATOM 1240 C THR A 77 -2.230 -0.102 -0.265 1.00 1.34 C ATOM 1241 O THR A 77 -3.386 0.237 -0.502 1.00 1.38 O ATOM 1242 CB THR A 77 -1.808 -0.178 2.218 1.00 1.41 C ATOM 1243 OG1 THR A 77 -1.135 -0.931 3.235 1.00 1.48 O ATOM 1244 CG2 THR A 77 -3.183 0.224 2.726 1.00 1.49 C ATOM 0 HA THR A 77 -2.727 -1.735 1.034 1.00 1.39 H new ATOM 0 HB THR A 77 -1.243 0.725 1.986 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.537 -1.585 2.816 1.00 1.48 H new ATOM 0 HG21 THR A 77 -3.076 0.814 3.637 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.692 0.818 1.967 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.768 -0.671 2.940 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.179 0.308 -0.985 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.306 1.171 -2.170 1.00 1.25 C ATOM 1254 C ARG A 78 -2.256 0.554 -3.204 1.00 1.30 C ATOM 1255 O ARG A 78 -3.082 1.243 -3.807 1.00 1.29 O ATOM 1256 CB ARG A 78 0.088 1.368 -2.790 1.00 1.25 C ATOM 1257 CG ARG A 78 0.106 2.105 -4.124 1.00 1.33 C ATOM 1258 CD ARG A 78 1.412 1.849 -4.871 1.00 1.40 C ATOM 1259 NE ARG A 78 1.655 2.825 -5.934 1.00 1.56 N ATOM 1260 CZ ARG A 78 2.867 3.110 -6.419 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.946 2.491 -5.947 1.00 2.01 N ATOM 1262 NH2 ARG A 78 2.999 4.014 -7.381 1.00 2.42 N ATOM 0 H ARG A 78 -0.217 0.052 -0.764 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.722 2.132 -1.867 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.709 1.916 -2.082 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.549 0.390 -2.927 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.736 1.780 -4.735 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.017 3.175 -3.955 1.00 1.33 H new ATOM 0 HD2 ARG A 78 2.241 1.874 -4.164 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.390 0.848 -5.301 1.00 1.40 H new ATOM 0 HE ARG A 78 0.852 3.316 -6.328 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.852 1.793 -5.209 1.00 2.01 H new ATOM 0 HH12 ARG A 78 4.868 2.715 -6.323 1.00 2.01 H new ATOM 0 HH21 ARG A 78 2.176 4.491 -7.749 1.00 2.42 H new ATOM 0 HH22 ARG A 78 3.924 4.233 -7.752 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.118 -0.753 -3.379 1.00 1.37 N ATOM 1277 CA ARG A 79 -2.911 -1.539 -4.318 1.00 1.45 C ATOM 1278 C ARG A 79 -4.351 -1.764 -3.845 1.00 1.48 C ATOM 1279 O ARG A 79 -5.251 -1.930 -4.669 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.221 -2.874 -4.648 1.00 1.52 C ATOM 1281 CG ARG A 79 -0.797 -2.688 -5.208 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.159 -4.018 -5.630 1.00 1.59 C ATOM 1283 NE ARG A 79 -0.803 -4.587 -6.833 1.00 1.67 N ATOM 1284 CZ ARG A 79 -0.535 -5.751 -7.396 1.00 1.76 C ATOM 1285 NH1 ARG A 79 0.368 -6.561 -6.919 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.173 -6.131 -8.465 1.00 1.82 N ATOM 0 H ARG A 79 -1.437 -1.310 -2.862 1.00 1.37 H new ATOM 0 HA ARG A 79 -2.976 -0.949 -5.232 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.175 -3.486 -3.747 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -2.824 -3.420 -5.374 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -0.831 -2.016 -6.065 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.172 -2.211 -4.453 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.902 -3.864 -5.826 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.232 -4.731 -4.809 1.00 1.59 H new ATOM 0 HE ARG A 79 -1.529 -4.022 -7.274 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.894 -6.303 -6.084 1.00 1.79 H new ATOM 0 HH12 ARG A 79 0.548 -7.453 -7.381 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -1.886 -5.528 -8.875 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -0.959 -7.032 -8.893 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.580 -1.727 -2.532 1.00 1.47 N ATOM 1301 CA HIS A 80 -5.915 -1.708 -1.934 1.00 1.50 C ATOM 1302 C HIS A 80 -6.548 -0.314 -2.067 1.00 1.44 C ATOM 1303 O HIS A 80 -7.644 -0.196 -2.611 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.827 -2.188 -0.474 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.187 -3.552 -0.324 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.396 -3.971 0.725 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.277 -4.612 -1.196 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.023 -5.242 0.493 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.533 -5.678 -0.671 1.00 1.74 N ATOM 0 H HIS A 80 -3.829 -1.709 -1.842 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.572 -2.394 -2.468 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.256 -1.462 0.105 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.830 -2.217 -0.048 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -5.827 -4.621 -2.126 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.400 -5.830 1.151 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.405 -6.600 -1.089 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.843 0.760 -1.681 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.348 2.143 -1.737 1.00 1.29 C ATOM 1320 C TYR A 81 -6.812 2.555 -3.141 1.00 1.32 C ATOM 1321 O TYR A 81 -7.849 3.210 -3.277 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.256 3.093 -1.215 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.680 4.542 -0.981 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.905 5.411 -2.072 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.793 5.042 0.332 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.261 6.756 -1.851 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -6.077 6.404 0.553 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.328 7.266 -0.536 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.666 8.565 -0.306 1.00 1.11 O ATOM 0 H TYR A 81 -4.893 0.693 -1.316 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.233 2.205 -1.103 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.873 2.692 -0.277 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.429 3.088 -1.925 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.803 5.042 -3.082 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.661 4.377 1.173 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.483 7.399 -2.690 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -6.103 6.791 1.561 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.992 8.970 -1.137 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.112 2.119 -4.201 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.420 2.488 -5.583 1.00 1.39 C ATOM 1341 C GLU A 82 -7.714 1.843 -6.105 1.00 1.50 C ATOM 1342 O GLU A 82 -8.161 2.167 -7.208 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.222 2.257 -6.517 1.00 1.40 C ATOM 1344 CG GLU A 82 -4.960 0.796 -6.866 1.00 1.46 C ATOM 1345 CD GLU A 82 -3.949 0.674 -8.020 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.350 0.908 -9.189 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -2.770 0.323 -7.774 1.00 1.46 O ATOM 0 H GLU A 82 -5.310 1.495 -4.117 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.614 3.561 -5.579 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.385 2.813 -7.440 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.329 2.671 -6.049 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.580 0.272 -5.989 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -5.896 0.312 -7.146 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.325 0.947 -5.308 1.00 1.53 N ATOM 1355 CA ARG A 83 -9.671 0.425 -5.581 1.00 1.64 C ATOM 1356 C ARG A 83 -10.661 0.608 -4.423 1.00 1.64 C ATOM 1357 O ARG A 83 -11.848 0.355 -4.619 1.00 1.73 O ATOM 1358 CB ARG A 83 -9.598 -1.060 -5.992 1.00 1.73 C ATOM 1359 CG ARG A 83 -8.809 -1.346 -7.277 1.00 1.75 C ATOM 1360 CD ARG A 83 -9.441 -0.711 -8.528 1.00 1.81 C ATOM 1361 NE ARG A 83 -8.618 -0.976 -9.724 1.00 1.84 N ATOM 1362 CZ ARG A 83 -7.507 -0.346 -10.065 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.105 0.739 -9.474 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -6.741 -0.809 -11.011 1.00 1.82 N ATOM 0 H ARG A 83 -7.900 0.568 -4.462 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.060 1.022 -6.406 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.148 -1.624 -5.175 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -10.613 -1.436 -6.117 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -7.791 -0.973 -7.162 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -8.738 -2.424 -7.420 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -10.445 -1.110 -8.676 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -9.544 0.364 -8.383 1.00 1.81 H new ATOM 0 HE ARG A 83 -8.937 -1.717 -10.348 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -7.654 1.139 -8.713 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.240 1.191 -9.771 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -6.996 -1.668 -11.499 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -5.887 -0.313 -11.264 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.203 1.070 -3.255 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.016 1.056 -2.035 1.00 1.57 C ATOM 1380 C LEU A 84 -11.324 2.468 -1.509 1.00 1.51 C ATOM 1381 O LEU A 84 -12.166 2.619 -0.632 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.246 0.193 -1.021 1.00 1.56 C ATOM 1383 CG LEU A 84 -10.977 -0.135 0.282 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.269 -0.911 0.053 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.071 -0.980 1.173 1.00 1.61 C ATOM 0 H LEU A 84 -9.269 1.460 -3.129 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.002 0.633 -2.230 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -9.974 -0.744 -1.506 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.316 0.705 -0.772 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.228 0.816 0.751 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.745 -1.116 1.012 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -12.943 -0.321 -0.568 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.044 -1.852 -0.449 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.591 -1.215 2.102 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.814 -1.905 0.657 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.160 -0.425 1.397 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.674 3.503 -2.057 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.080 4.900 -1.809 1.00 1.41 C ATOM 1399 C ILE A 85 -10.609 5.883 -2.878 1.00 1.39 C ATOM 1400 O ILE A 85 -11.277 6.893 -3.061 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.704 5.365 -0.390 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.393 6.712 -0.067 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.188 5.444 -0.191 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.577 6.972 1.429 1.00 1.33 C ATOM 0 H ILE A 85 -9.867 3.404 -2.673 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.168 4.901 -1.879 1.00 1.41 H new ATOM 0 HB ILE A 85 -11.067 4.616 0.314 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.804 7.522 -0.497 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.369 6.735 -0.552 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.971 5.776 0.824 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.748 4.460 -0.353 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.764 6.152 -0.903 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -12.067 7.935 1.573 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -12.192 6.184 1.862 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.603 6.983 1.919 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.570 5.587 -3.666 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.248 6.369 -4.868 1.00 1.39 C ATOM 1418 C LEU A 86 -10.476 6.619 -5.787 1.00 1.49 C ATOM 1419 O LEU A 86 -10.636 7.756 -6.241 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.085 5.684 -5.603 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.587 6.382 -6.881 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.133 7.823 -6.627 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.414 5.615 -7.480 1.00 1.40 C ATOM 0 H LEU A 86 -8.934 4.808 -3.493 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.939 7.368 -4.560 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.247 5.595 -4.912 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.392 4.671 -5.863 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.433 6.400 -7.568 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -6.792 8.267 -7.562 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -7.967 8.403 -6.233 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.316 7.825 -5.905 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.072 6.120 -8.383 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.599 5.573 -6.757 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -6.731 4.602 -7.729 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.393 5.648 -6.022 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.640 5.912 -6.750 1.00 1.69 C ATOM 1437 C PRO A 87 -13.710 6.701 -5.965 1.00 1.71 C ATOM 1438 O PRO A 87 -14.629 7.219 -6.606 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.170 4.537 -7.175 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.617 3.596 -6.112 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.251 4.205 -5.815 1.00 1.59 C ATOM 0 HA PRO A 87 -12.421 6.567 -7.593 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.260 4.518 -7.200 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -12.823 4.264 -8.172 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.251 3.567 -5.225 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.535 2.573 -6.478 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -10.942 3.987 -4.793 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.488 3.790 -6.474 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.623 6.826 -4.629 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.652 7.514 -3.824 1.00 1.66 C ATOM 1451 C TYR A 88 -14.217 8.886 -3.276 1.00 1.59 C ATOM 1452 O TYR A 88 -15.046 9.790 -3.229 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.229 6.570 -2.751 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.616 6.016 -3.075 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -16.948 5.594 -4.382 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.589 5.925 -2.059 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.234 5.095 -4.667 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.880 5.434 -2.340 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.205 5.014 -3.647 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.446 4.530 -3.930 1.00 2.17 O ATOM 0 H TYR A 88 -12.846 6.458 -4.080 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.465 7.766 -4.505 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.542 5.736 -2.612 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.278 7.105 -1.803 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.210 5.655 -5.168 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.343 6.235 -1.054 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.477 4.774 -5.669 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.620 5.379 -1.555 1.00 1.97 H new ATOM 0 HH TYR A 88 -20.994 4.540 -3.118 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.929 9.144 -3.007 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.441 10.517 -2.740 1.00 1.46 C ATOM 1472 C GLU A 89 -12.744 11.481 -3.915 1.00 1.53 C ATOM 1473 O GLU A 89 -12.748 12.699 -3.745 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.946 10.550 -2.356 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.967 10.210 -3.494 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.514 10.568 -3.122 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.868 9.814 -2.356 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -8.006 11.609 -3.615 1.00 1.29 O ATOM 0 H GLU A 89 -12.204 8.427 -2.967 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.998 10.873 -1.873 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.707 11.544 -1.978 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.783 9.850 -1.537 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -10.032 9.147 -3.725 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.255 10.750 -4.396 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.091 10.902 -5.075 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.624 11.655 -6.217 1.00 1.71 C ATOM 1487 C ARG A 90 -14.815 12.566 -5.865 1.00 1.78 C ATOM 1488 O ARG A 90 -14.890 13.665 -6.414 1.00 1.83 O ATOM 1489 CB ARG A 90 -13.965 10.649 -7.334 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.245 11.324 -8.684 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.411 10.271 -9.786 1.00 1.97 C ATOM 1492 NE ARG A 90 -14.638 10.897 -11.102 1.00 2.08 N ATOM 1493 CZ ARG A 90 -14.623 10.294 -12.277 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -14.413 9.012 -12.400 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -14.823 10.974 -13.370 1.00 2.25 N ATOM 0 H ARG A 90 -13.009 9.900 -5.246 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.858 12.351 -6.559 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.138 9.948 -7.449 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.837 10.067 -7.037 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.148 11.931 -8.614 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.427 11.998 -8.937 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.520 9.644 -9.829 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.249 9.618 -9.543 1.00 1.97 H new ATOM 0 HE ARG A 90 -14.826 11.900 -11.105 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.253 8.440 -11.571 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -14.409 8.582 -13.325 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -14.993 11.979 -13.322 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -14.810 10.502 -14.274 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.699 12.191 -4.926 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.750 13.113 -4.444 1.00 1.84 C ATOM 1511 C PHE A 91 -16.210 14.199 -3.492 1.00 1.78 C ATOM 1512 O PHE A 91 -16.737 15.311 -3.472 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.961 12.365 -3.842 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.773 11.656 -2.506 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.653 12.390 -1.306 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.773 10.248 -2.449 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.432 11.725 -0.086 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.542 9.587 -1.232 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.340 10.325 -0.059 1.00 1.70 C ATOM 0 H PHE A 91 -15.711 11.270 -4.488 1.00 1.78 H new ATOM 0 HA PHE A 91 -17.110 13.637 -5.329 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.773 13.083 -3.728 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.291 11.624 -4.570 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.731 13.467 -1.325 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.952 9.674 -3.346 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -17.333 12.291 0.828 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.520 8.508 -1.200 1.00 1.76 H new ATOM 0 HZ PHE A 91 -17.113 9.817 0.866 1.00 1.70 H new ATOM 1529 N ILE A 92 -15.129 13.920 -2.751 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.530 14.904 -1.825 1.00 1.62 C ATOM 1531 C ILE A 92 -13.765 15.967 -2.625 1.00 1.64 C ATOM 1532 O ILE A 92 -13.867 17.163 -2.361 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.590 14.200 -0.809 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -14.317 13.052 -0.068 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -13.033 15.222 0.203 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -13.434 12.221 0.870 1.00 1.43 C ATOM 0 H ILE A 92 -14.647 13.021 -2.772 1.00 1.67 H new ATOM 0 HA ILE A 92 -15.327 15.390 -1.262 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.761 13.765 -1.367 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -15.137 13.476 0.511 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.761 12.386 -0.808 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -12.376 14.714 0.909 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -12.471 15.990 -0.328 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.858 15.685 0.744 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -14.035 11.443 1.341 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.628 11.761 0.298 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -13.010 12.868 1.638 1.00 1.43 H new ATOM 1548 N LYS A 93 -13.045 15.517 -3.654 1.00 1.63 N ATOM 1549 CA LYS A 93 -12.134 16.368 -4.432 1.00 1.66 C ATOM 1550 C LYS A 93 -12.795 16.984 -5.675 1.00 1.78 C ATOM 1551 O LYS A 93 -12.183 17.801 -6.364 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.928 15.481 -4.771 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.660 16.264 -5.127 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.424 15.368 -4.981 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.437 14.193 -5.968 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.297 13.284 -5.717 1.00 1.41 N ATOM 0 H LYS A 93 -13.075 14.549 -3.975 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.829 17.241 -3.855 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.716 14.833 -3.921 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.190 14.833 -5.608 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -9.729 16.637 -6.149 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.566 17.134 -4.476 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.525 15.964 -5.140 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.375 14.983 -3.962 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.374 13.644 -5.874 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.390 14.570 -6.990 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.245 12.574 -6.475 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.414 13.833 -5.696 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.429 12.805 -4.803 1.00 1.41 H new ATOM 1570 N GLY A 94 -14.054 16.612 -5.924 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.833 17.122 -7.057 1.00 1.97 C ATOM 1572 C GLY A 94 -16.118 17.854 -6.653 1.00 2.05 C ATOM 1573 O GLY A 94 -16.637 18.623 -7.459 1.00 2.15 O ATOM 0 H GLY A 94 -14.564 15.946 -5.343 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.208 17.800 -7.638 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.092 16.289 -7.711 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.618 17.666 -5.421 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.891 18.253 -4.952 1.00 2.08 C ATOM 1579 C GLU A 95 -17.871 18.722 -3.479 1.00 2.02 C ATOM 1580 O GLU A 95 -18.920 18.866 -2.844 1.00 2.07 O ATOM 1581 CB GLU A 95 -19.068 17.282 -5.214 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.266 16.892 -6.685 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.544 16.053 -6.865 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -21.635 16.634 -7.094 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.471 14.801 -6.797 1.00 2.26 O ATOM 0 H GLU A 95 -16.149 17.099 -4.715 1.00 2.00 H new ATOM 0 HA GLU A 95 -18.034 19.160 -5.539 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.909 16.375 -4.631 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.987 17.740 -4.847 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.327 17.791 -7.298 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.403 16.326 -7.034 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.684 19.002 -2.926 1.00 1.94 N ATOM 1593 CA GLU A 96 -16.527 19.576 -1.575 1.00 1.90 C ATOM 1594 C GLU A 96 -15.252 20.428 -1.383 1.00 1.87 C ATOM 1595 O GLU A 96 -15.335 21.538 -0.856 1.00 1.92 O ATOM 1596 CB GLU A 96 -16.595 18.453 -0.517 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.727 19.007 0.907 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.950 17.874 1.928 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -18.124 17.510 2.189 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.958 17.355 2.493 1.00 1.68 O ATOM 0 H GLU A 96 -15.798 18.837 -3.403 1.00 1.94 H new ATOM 0 HA GLU A 96 -17.357 20.271 -1.445 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -17.444 17.804 -0.733 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.698 17.838 -0.584 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.827 19.563 1.168 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -17.560 19.709 0.951 1.00 1.81 H new ATOM 1607 N ASP A 97 -14.091 19.906 -1.774 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.835 20.641 -1.607 1.00 1.78 C ATOM 1609 C ASP A 97 -11.653 19.869 -2.183 1.00 1.87 C ATOM 1610 O ASP A 97 -11.604 18.642 -2.113 1.00 2.33 O ATOM 1611 CB ASP A 97 -12.577 20.921 -0.120 1.00 1.78 C ATOM 1612 CG ASP A 97 -11.547 22.011 0.104 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.912 23.202 0.004 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -10.376 21.676 0.382 1.00 2.20 O ATOM 0 H ASP A 97 -13.992 18.987 -2.205 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.933 21.581 -2.150 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -13.513 21.209 0.358 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -12.240 20.004 0.364 1.00 1.78 H new