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= -0.353 F(o=-2.4!,f=-0.38) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -0.0283 X(o=-0.64,f=-0.38) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 16 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.24) USER MOD Single : A 1 ARG N :NH3+ -160:sc= 1.1 (180deg=0.5) USER MOD Single : A 5 GLN : amide:sc= 1.24 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= 0.0141 USER MOD Single : A 15 MET CE :methyl 176:sc= -0.642 (180deg=-0.718) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 69:sc= 0.187 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 61:sc= 0.00288 USER MOD Single : A 38 MET CE :methyl 174:sc= -0.353 (180deg=-0.387) USER MOD Single : A 40 GLN : amide:sc= 0.138 X(o=0.14,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000841 USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.564 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.617 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.119 (180deg=-0.672) USER MOD Single : A 77 THR OG1 : rot 23:sc= 0.38 USER MOD Single : A 80 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 81 TYR OH : rot 3:sc= 1.26 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= 1.33 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.686 10.607 10.966 1.00 1.75 N ATOM 2 CA ARG A 1 -14.853 9.141 11.169 1.00 1.74 C ATOM 3 C ARG A 1 -16.150 8.592 10.570 1.00 1.77 C ATOM 4 O ARG A 1 -16.126 7.718 9.693 1.00 1.74 O ATOM 5 CB ARG A 1 -14.663 8.772 12.661 1.00 1.77 C ATOM 6 CG ARG A 1 -14.618 7.257 12.948 1.00 1.77 C ATOM 7 CD ARG A 1 -15.973 6.698 13.409 1.00 1.83 C ATOM 8 NE ARG A 1 -15.925 5.235 13.555 1.00 1.84 N ATOM 9 CZ ARG A 1 -15.596 4.521 14.608 1.00 1.86 C ATOM 10 NH1 ARG A 1 -15.236 5.051 15.742 1.00 1.89 N ATOM 11 NH2 ARG A 1 -15.627 3.227 14.512 1.00 1.87 N ATOM 0 H1 ARG A 1 -13.683 10.861 11.075 1.00 1.75 H new ATOM 0 H2 ARG A 1 -15.006 10.864 10.010 1.00 1.75 H new ATOM 0 H3 ARG A 1 -15.252 11.122 11.671 1.00 1.75 H new ATOM 0 HA ARG A 1 -14.063 8.642 10.607 1.00 1.74 H new ATOM 0 HB2 ARG A 1 -13.737 9.224 13.018 1.00 1.77 H new ATOM 0 HB3 ARG A 1 -15.476 9.213 13.237 1.00 1.77 H new ATOM 0 HG2 ARG A 1 -14.300 6.731 12.048 1.00 1.77 H new ATOM 0 HG3 ARG A 1 -13.869 7.059 13.714 1.00 1.77 H new ATOM 0 HD2 ARG A 1 -16.252 7.152 14.360 1.00 1.83 H new ATOM 0 HD3 ARG A 1 -16.745 6.969 12.689 1.00 1.83 H new ATOM 0 HE ARG A 1 -16.182 4.701 12.725 1.00 1.84 H new ATOM 0 HH11 ARG A 1 -15.200 6.065 15.842 1.00 1.89 H new ATOM 0 HH12 ARG A 1 -14.990 4.452 16.530 1.00 1.89 H new ATOM 0 HH21 ARG A 1 -15.902 2.787 13.634 1.00 1.87 H new ATOM 0 HH22 ARG A 1 -15.376 2.650 15.315 1.00 1.87 H new ATOM 27 N ALA A 2 -17.296 9.066 11.069 1.00 1.84 N ATOM 28 CA ALA A 2 -18.596 8.465 10.748 1.00 1.89 C ATOM 29 C ALA A 2 -18.987 8.595 9.267 1.00 1.88 C ATOM 30 O ALA A 2 -19.532 7.659 8.690 1.00 1.89 O ATOM 31 CB ALA A 2 -19.656 9.089 11.666 1.00 1.97 C ATOM 0 H ALA A 2 -17.350 9.867 11.699 1.00 1.84 H new ATOM 0 HA ALA A 2 -18.525 7.391 10.923 1.00 1.89 H new ATOM 0 HB1 ALA A 2 -20.631 8.655 11.443 1.00 1.97 H new ATOM 0 HB2 ALA A 2 -19.399 8.890 12.706 1.00 1.97 H new ATOM 0 HB3 ALA A 2 -19.692 10.166 11.501 1.00 1.97 H new ATOM 37 N ASP A 3 -18.658 9.724 8.634 1.00 1.87 N ATOM 38 CA ASP A 3 -18.948 9.941 7.212 1.00 1.88 C ATOM 39 C ASP A 3 -18.034 9.126 6.279 1.00 1.81 C ATOM 40 O ASP A 3 -18.495 8.673 5.233 1.00 1.82 O ATOM 41 CB ASP A 3 -18.827 11.440 6.913 1.00 1.90 C ATOM 42 CG ASP A 3 -19.319 11.794 5.499 1.00 1.92 C ATOM 43 OD1 ASP A 3 -20.539 11.660 5.236 1.00 1.98 O ATOM 44 OD2 ASP A 3 -18.502 12.253 4.666 1.00 1.89 O ATOM 0 H ASP A 3 -18.187 10.508 9.087 1.00 1.87 H new ATOM 0 HA ASP A 3 -19.962 9.591 7.016 1.00 1.88 H new ATOM 0 HB2 ASP A 3 -19.403 12.003 7.647 1.00 1.90 H new ATOM 0 HB3 ASP A 3 -17.787 11.747 7.021 1.00 1.90 H new ATOM 49 N GLU A 4 -16.784 8.856 6.687 1.00 1.74 N ATOM 50 CA GLU A 4 -15.897 7.971 5.919 1.00 1.68 C ATOM 51 C GLU A 4 -16.437 6.543 5.983 1.00 1.69 C ATOM 52 O GLU A 4 -16.591 5.887 4.954 1.00 1.68 O ATOM 53 CB GLU A 4 -14.464 8.002 6.470 1.00 1.62 C ATOM 54 CG GLU A 4 -13.818 9.397 6.478 1.00 1.61 C ATOM 55 CD GLU A 4 -13.958 10.070 7.853 1.00 1.65 C ATOM 56 OE1 GLU A 4 -15.069 10.516 8.227 1.00 1.71 O ATOM 57 OE2 GLU A 4 -12.968 10.112 8.619 1.00 1.62 O ATOM 0 H GLU A 4 -16.368 9.235 7.538 1.00 1.74 H new ATOM 0 HA GLU A 4 -15.870 8.320 4.887 1.00 1.68 H new ATOM 0 HB2 GLU A 4 -14.470 7.612 7.488 1.00 1.62 H new ATOM 0 HB3 GLU A 4 -13.844 7.331 5.875 1.00 1.62 H new ATOM 0 HG2 GLU A 4 -12.763 9.313 6.218 1.00 1.61 H new ATOM 0 HG3 GLU A 4 -14.285 10.021 5.716 1.00 1.61 H new ATOM 64 N GLN A 5 -16.819 6.088 7.183 1.00 1.72 N ATOM 65 CA GLN A 5 -17.443 4.773 7.324 1.00 1.75 C ATOM 66 C GLN A 5 -18.752 4.664 6.523 1.00 1.81 C ATOM 67 O GLN A 5 -18.910 3.716 5.753 1.00 1.81 O ATOM 68 CB GLN A 5 -17.631 4.379 8.795 1.00 1.78 C ATOM 69 CG GLN A 5 -16.283 4.061 9.473 1.00 1.73 C ATOM 70 CD GLN A 5 -16.410 2.942 10.503 1.00 1.77 C ATOM 71 OE1 GLN A 5 -16.424 3.158 11.709 1.00 1.80 O ATOM 72 NE2 GLN A 5 -16.512 1.701 10.076 1.00 1.77 N ATOM 0 H GLN A 5 -16.708 6.604 8.056 1.00 1.72 H new ATOM 0 HA GLN A 5 -16.751 4.050 6.892 1.00 1.75 H new ATOM 0 HB2 GLN A 5 -18.126 5.190 9.329 1.00 1.78 H new ATOM 0 HB3 GLN A 5 -18.285 3.510 8.859 1.00 1.78 H new ATOM 0 HG2 GLN A 5 -15.555 3.774 8.714 1.00 1.73 H new ATOM 0 HG3 GLN A 5 -15.901 4.959 9.959 1.00 1.73 H new ATOM 0 HE21 GLN A 5 -16.502 1.504 9.075 1.00 1.77 H new ATOM 0 HE22 GLN A 5 -16.601 0.937 10.746 1.00 1.77 H new ATOM 81 N ALA A 6 -19.644 5.654 6.598 1.00 1.86 N ATOM 82 CA ALA A 6 -20.858 5.693 5.780 1.00 1.92 C ATOM 83 C ALA A 6 -20.549 5.625 4.271 1.00 1.90 C ATOM 84 O ALA A 6 -21.100 4.773 3.566 1.00 1.92 O ATOM 85 CB ALA A 6 -21.661 6.947 6.143 1.00 1.98 C ATOM 0 H ALA A 6 -19.545 6.451 7.227 1.00 1.86 H new ATOM 0 HA ALA A 6 -21.456 4.808 5.997 1.00 1.92 H new ATOM 0 HB1 ALA A 6 -22.568 6.986 5.539 1.00 1.98 H new ATOM 0 HB2 ALA A 6 -21.929 6.914 7.199 1.00 1.98 H new ATOM 0 HB3 ALA A 6 -21.058 7.834 5.949 1.00 1.98 H new ATOM 91 N PHE A 7 -19.612 6.442 3.771 1.00 1.85 N ATOM 92 CA PHE A 7 -19.245 6.418 2.354 1.00 1.83 C ATOM 93 C PHE A 7 -18.386 5.206 1.956 1.00 1.77 C ATOM 94 O PHE A 7 -18.356 4.871 0.766 1.00 1.78 O ATOM 95 CB PHE A 7 -18.708 7.787 1.883 1.00 1.82 C ATOM 96 CG PHE A 7 -17.236 8.153 2.044 1.00 1.75 C ATOM 97 CD1 PHE A 7 -16.238 7.451 1.338 1.00 1.69 C ATOM 98 CD2 PHE A 7 -16.878 9.331 2.731 1.00 1.75 C ATOM 99 CE1 PHE A 7 -14.908 7.900 1.348 1.00 1.63 C ATOM 100 CE2 PHE A 7 -15.542 9.772 2.757 1.00 1.69 C ATOM 101 CZ PHE A 7 -14.552 9.053 2.069 1.00 1.63 C ATOM 0 H PHE A 7 -19.097 7.125 4.327 1.00 1.85 H new ATOM 0 HA PHE A 7 -20.163 6.257 1.788 1.00 1.83 H new ATOM 0 HB2 PHE A 7 -18.944 7.874 0.822 1.00 1.82 H new ATOM 0 HB3 PHE A 7 -19.285 8.552 2.402 1.00 1.82 H new ATOM 0 HD1 PHE A 7 -16.499 6.561 0.785 1.00 1.69 H new ATOM 0 HD2 PHE A 7 -17.638 9.902 3.243 1.00 1.75 H new ATOM 0 HE1 PHE A 7 -14.154 7.356 0.798 1.00 1.63 H new ATOM 0 HE2 PHE A 7 -15.278 10.664 3.306 1.00 1.69 H new ATOM 0 HZ PHE A 7 -13.524 9.383 2.093 1.00 1.63 H new ATOM 111 N LEU A 8 -17.803 4.463 2.917 1.00 1.73 N ATOM 112 CA LEU A 8 -17.146 3.200 2.542 1.00 1.69 C ATOM 113 C LEU A 8 -18.101 2.005 2.681 1.00 1.75 C ATOM 114 O LEU A 8 -17.838 0.960 2.095 1.00 1.73 O ATOM 115 CB LEU A 8 -15.860 3.009 3.369 1.00 1.63 C ATOM 116 CG LEU A 8 -14.565 3.001 2.543 1.00 1.56 C ATOM 117 CD1 LEU A 8 -14.419 1.677 1.803 1.00 1.55 C ATOM 118 CD2 LEU A 8 -14.424 4.178 1.573 1.00 1.55 C ATOM 0 H LEU A 8 -17.773 4.700 3.909 1.00 1.73 H new ATOM 0 HA LEU A 8 -16.867 3.253 1.490 1.00 1.69 H new ATOM 0 HB2 LEU A 8 -15.798 3.806 4.110 1.00 1.63 H new ATOM 0 HB3 LEU A 8 -15.932 2.069 3.917 1.00 1.63 H new ATOM 0 HG LEU A 8 -13.754 3.119 3.262 1.00 1.56 H new ATOM 0 HD11 LEU A 8 -13.497 1.685 1.222 1.00 1.55 H new ATOM 0 HD12 LEU A 8 -14.387 0.859 2.523 1.00 1.55 H new ATOM 0 HD13 LEU A 8 -15.269 1.538 1.134 1.00 1.55 H new ATOM 0 HD21 LEU A 8 -13.482 4.092 1.032 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -15.252 4.167 0.864 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -14.438 5.114 2.132 1.00 1.55 H new ATOM 130 N VAL A 9 -19.230 2.151 3.392 1.00 1.81 N ATOM 131 CA VAL A 9 -20.323 1.162 3.338 1.00 1.87 C ATOM 132 C VAL A 9 -21.081 1.314 2.011 1.00 1.92 C ATOM 133 O VAL A 9 -21.419 0.317 1.364 1.00 1.94 O ATOM 134 CB VAL A 9 -21.259 1.294 4.560 1.00 1.93 C ATOM 135 CG1 VAL A 9 -22.567 0.500 4.414 1.00 2.01 C ATOM 136 CG2 VAL A 9 -20.556 0.764 5.818 1.00 1.91 C ATOM 0 H VAL A 9 -19.412 2.942 4.010 1.00 1.81 H new ATOM 0 HA VAL A 9 -19.902 0.158 3.381 1.00 1.87 H new ATOM 0 HB VAL A 9 -21.497 2.355 4.635 1.00 1.93 H new ATOM 0 HG11 VAL A 9 -23.177 0.637 5.307 1.00 2.01 H new ATOM 0 HG12 VAL A 9 -23.114 0.858 3.542 1.00 2.01 H new ATOM 0 HG13 VAL A 9 -22.338 -0.558 4.290 1.00 2.01 H new ATOM 0 HG21 VAL A 9 -21.222 0.861 6.675 1.00 1.91 H new ATOM 0 HG22 VAL A 9 -20.298 -0.285 5.676 1.00 1.91 H new ATOM 0 HG23 VAL A 9 -19.648 1.340 5.997 1.00 1.91 H new ATOM 146 N ALA A 10 -21.262 2.554 1.543 1.00 1.93 N ATOM 147 CA ALA A 10 -21.768 2.813 0.194 1.00 1.97 C ATOM 148 C ALA A 10 -20.816 2.279 -0.895 1.00 1.92 C ATOM 149 O ALA A 10 -21.276 1.586 -1.812 1.00 1.96 O ATOM 150 CB ALA A 10 -22.017 4.319 0.044 1.00 1.99 C ATOM 0 H ALA A 10 -21.064 3.396 2.083 1.00 1.93 H new ATOM 0 HA ALA A 10 -22.706 2.276 0.056 1.00 1.97 H new ATOM 0 HB1 ALA A 10 -22.395 4.527 -0.957 1.00 1.99 H new ATOM 0 HB2 ALA A 10 -22.750 4.642 0.783 1.00 1.99 H new ATOM 0 HB3 ALA A 10 -21.083 4.859 0.199 1.00 1.99 H new ATOM 156 N LEU A 11 -19.494 2.514 -0.768 1.00 1.84 N ATOM 157 CA LEU A 11 -18.528 1.841 -1.644 1.00 1.80 C ATOM 158 C LEU A 11 -18.593 0.324 -1.494 1.00 1.80 C ATOM 159 O LEU A 11 -18.582 -0.345 -2.514 1.00 1.82 O ATOM 160 CB LEU A 11 -17.082 2.317 -1.443 1.00 1.71 C ATOM 161 CG LEU A 11 -16.084 1.597 -2.389 1.00 1.67 C ATOM 162 CD1 LEU A 11 -16.336 1.847 -3.876 1.00 1.71 C ATOM 163 CD2 LEU A 11 -14.666 2.063 -2.099 1.00 1.59 C ATOM 0 H LEU A 11 -19.083 3.149 -0.084 1.00 1.84 H new ATOM 0 HA LEU A 11 -18.823 2.117 -2.656 1.00 1.80 H new ATOM 0 HB2 LEU A 11 -17.029 3.392 -1.614 1.00 1.71 H new ATOM 0 HB3 LEU A 11 -16.786 2.144 -0.408 1.00 1.71 H new ATOM 0 HG LEU A 11 -16.226 0.534 -2.193 1.00 1.67 H new ATOM 0 HD11 LEU A 11 -15.595 1.308 -4.466 1.00 1.71 H new ATOM 0 HD12 LEU A 11 -17.334 1.497 -4.140 1.00 1.71 H new ATOM 0 HD13 LEU A 11 -16.259 2.914 -4.084 1.00 1.71 H new ATOM 0 HD21 LEU A 11 -13.972 1.553 -2.767 1.00 1.59 H new ATOM 0 HD22 LEU A 11 -14.597 3.139 -2.257 1.00 1.59 H new ATOM 0 HD23 LEU A 11 -14.411 1.831 -1.065 1.00 1.59 H new ATOM 175 N TYR A 12 -18.681 -0.240 -0.286 1.00 1.80 N ATOM 176 CA TYR A 12 -18.769 -1.693 -0.095 1.00 1.81 C ATOM 177 C TYR A 12 -19.913 -2.301 -0.911 1.00 1.89 C ATOM 178 O TYR A 12 -19.688 -3.283 -1.622 1.00 1.89 O ATOM 179 CB TYR A 12 -18.895 -2.052 1.393 1.00 1.82 C ATOM 180 CG TYR A 12 -19.318 -3.486 1.660 1.00 1.86 C ATOM 181 CD1 TYR A 12 -18.541 -4.556 1.175 1.00 1.84 C ATOM 182 CD2 TYR A 12 -20.527 -3.747 2.339 1.00 1.94 C ATOM 183 CE1 TYR A 12 -18.975 -5.885 1.358 1.00 1.89 C ATOM 184 CE2 TYR A 12 -20.957 -5.073 2.532 1.00 1.99 C ATOM 185 CZ TYR A 12 -20.185 -6.146 2.038 1.00 1.96 C ATOM 186 OH TYR A 12 -20.607 -7.430 2.206 1.00 2.02 O ATOM 0 H TYR A 12 -18.693 0.293 0.584 1.00 1.80 H new ATOM 0 HA TYR A 12 -17.840 -2.127 -0.464 1.00 1.81 H new ATOM 0 HB2 TYR A 12 -17.936 -1.872 1.880 1.00 1.82 H new ATOM 0 HB3 TYR A 12 -19.618 -1.381 1.856 1.00 1.82 H new ATOM 0 HD1 TYR A 12 -17.611 -4.358 0.662 1.00 1.84 H new ATOM 0 HD2 TYR A 12 -21.124 -2.927 2.711 1.00 1.94 H new ATOM 0 HE1 TYR A 12 -18.382 -6.704 0.978 1.00 1.89 H new ATOM 0 HE2 TYR A 12 -21.879 -5.270 3.059 1.00 1.99 H new ATOM 0 HH TYR A 12 -21.456 -7.434 2.695 1.00 2.02 H new ATOM 196 N LYS A 13 -21.102 -1.681 -0.892 1.00 1.95 N ATOM 197 CA LYS A 13 -22.201 -2.089 -1.777 1.00 2.03 C ATOM 198 C LYS A 13 -21.820 -1.944 -3.251 1.00 2.02 C ATOM 199 O LYS A 13 -21.855 -2.950 -3.968 1.00 2.05 O ATOM 200 CB LYS A 13 -23.484 -1.331 -1.396 1.00 2.10 C ATOM 201 CG LYS A 13 -24.706 -1.842 -2.177 1.00 2.18 C ATOM 202 CD LYS A 13 -26.009 -1.114 -1.803 1.00 2.25 C ATOM 203 CE LYS A 13 -26.444 -1.400 -0.359 1.00 2.27 C ATOM 204 NZ LYS A 13 -27.749 -0.759 -0.045 1.00 2.34 N ATOM 0 H LYS A 13 -21.326 -0.899 -0.276 1.00 1.95 H new ATOM 0 HA LYS A 13 -22.401 -3.151 -1.638 1.00 2.03 H new ATOM 0 HB2 LYS A 13 -23.665 -1.439 -0.327 1.00 2.10 H new ATOM 0 HB3 LYS A 13 -23.348 -0.267 -1.590 1.00 2.10 H new ATOM 0 HG2 LYS A 13 -24.523 -1.722 -3.245 1.00 2.18 H new ATOM 0 HG3 LYS A 13 -24.827 -2.909 -1.992 1.00 2.18 H new ATOM 0 HD2 LYS A 13 -25.873 -0.040 -1.933 1.00 2.25 H new ATOM 0 HD3 LYS A 13 -26.802 -1.419 -2.486 1.00 2.25 H new ATOM 0 HE2 LYS A 13 -26.521 -2.477 -0.208 1.00 2.27 H new ATOM 0 HE3 LYS A 13 -25.683 -1.035 0.330 1.00 2.27 H new ATOM 0 HZ1 LYS A 13 -28.013 -0.972 0.938 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -27.668 0.271 -0.166 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -28.480 -1.127 -0.687 1.00 2.34 H new ATOM 218 N TYR A 14 -21.397 -0.760 -3.715 1.00 2.00 N ATOM 219 CA TYR A 14 -20.986 -0.620 -5.119 1.00 2.00 C ATOM 220 C TYR A 14 -19.866 -1.569 -5.584 1.00 1.95 C ATOM 221 O TYR A 14 -19.952 -2.119 -6.679 1.00 1.99 O ATOM 222 CB TYR A 14 -20.585 0.846 -5.346 1.00 1.98 C ATOM 223 CG TYR A 14 -20.412 1.220 -6.805 1.00 2.01 C ATOM 224 CD1 TYR A 14 -21.548 1.494 -7.592 1.00 2.10 C ATOM 225 CD2 TYR A 14 -19.125 1.288 -7.378 1.00 1.96 C ATOM 226 CE1 TYR A 14 -21.405 1.831 -8.950 1.00 2.14 C ATOM 227 CE2 TYR A 14 -18.979 1.616 -8.742 1.00 1.99 C ATOM 228 CZ TYR A 14 -20.120 1.887 -9.530 1.00 2.09 C ATOM 229 OH TYR A 14 -19.975 2.170 -10.854 1.00 2.13 O ATOM 0 H TYR A 14 -21.331 0.092 -3.158 1.00 2.00 H new ATOM 0 HA TYR A 14 -21.841 -0.912 -5.729 1.00 2.00 H new ATOM 0 HB2 TYR A 14 -21.343 1.492 -4.904 1.00 1.98 H new ATOM 0 HB3 TYR A 14 -19.652 1.042 -4.818 1.00 1.98 H new ATOM 0 HD1 TYR A 14 -22.533 1.445 -7.151 1.00 2.10 H new ATOM 0 HD2 TYR A 14 -18.253 1.089 -6.773 1.00 1.96 H new ATOM 0 HE1 TYR A 14 -22.278 2.047 -9.548 1.00 2.14 H new ATOM 0 HE2 TYR A 14 -17.995 1.660 -9.184 1.00 1.99 H new ATOM 0 HH TYR A 14 -19.023 2.169 -11.086 1.00 2.13 H new ATOM 239 N MET A 15 -18.835 -1.810 -4.768 1.00 1.88 N ATOM 240 CA MET A 15 -17.708 -2.665 -5.133 1.00 1.83 C ATOM 241 C MET A 15 -18.078 -4.155 -5.068 1.00 1.86 C ATOM 242 O MET A 15 -17.601 -4.932 -5.897 1.00 1.86 O ATOM 243 CB MET A 15 -16.430 -2.285 -4.378 1.00 1.74 C ATOM 244 CG MET A 15 -16.373 -2.707 -2.910 1.00 1.72 C ATOM 245 SD MET A 15 -15.024 -1.957 -1.949 1.00 1.62 S ATOM 246 CE MET A 15 -13.583 -2.265 -3.009 1.00 1.57 C ATOM 0 H MET A 15 -18.761 -1.414 -3.831 1.00 1.88 H new ATOM 0 HA MET A 15 -17.470 -2.483 -6.181 1.00 1.83 H new ATOM 0 HB2 MET A 15 -15.579 -2.727 -4.897 1.00 1.74 H new ATOM 0 HB3 MET A 15 -16.308 -1.203 -4.430 1.00 1.74 H new ATOM 0 HG2 MET A 15 -17.321 -2.453 -2.437 1.00 1.72 H new ATOM 0 HG3 MET A 15 -16.274 -3.791 -2.862 1.00 1.72 H new ATOM 0 HE1 MET A 15 -12.702 -1.794 -2.572 1.00 1.57 H new ATOM 0 HE2 MET A 15 -13.416 -3.339 -3.093 1.00 1.57 H new ATOM 0 HE3 MET A 15 -13.764 -1.847 -3.999 1.00 1.57 H new ATOM 256 N LYS A 16 -18.998 -4.565 -4.176 1.00 1.90 N ATOM 257 CA LYS A 16 -19.588 -5.914 -4.225 1.00 1.96 C ATOM 258 C LYS A 16 -20.408 -6.116 -5.509 1.00 2.03 C ATOM 259 O LYS A 16 -20.288 -7.155 -6.153 1.00 2.05 O ATOM 260 CB LYS A 16 -20.404 -6.156 -2.944 1.00 1.99 C ATOM 261 CG LYS A 16 -20.919 -7.598 -2.846 1.00 2.05 C ATOM 262 CD LYS A 16 -21.256 -7.960 -1.394 1.00 2.07 C ATOM 263 CE LYS A 16 -21.817 -9.383 -1.319 1.00 2.13 C ATOM 264 NZ LYS A 16 -21.827 -9.881 0.079 1.00 2.15 N ATOM 0 H LYS A 16 -19.348 -3.983 -3.415 1.00 1.90 H new ATOM 0 HA LYS A 16 -18.796 -6.662 -4.262 1.00 1.96 H new ATOM 0 HB2 LYS A 16 -19.786 -5.933 -2.074 1.00 1.99 H new ATOM 0 HB3 LYS A 16 -21.249 -5.468 -2.919 1.00 1.99 H new ATOM 0 HG2 LYS A 16 -21.805 -7.715 -3.470 1.00 2.05 H new ATOM 0 HG3 LYS A 16 -20.165 -8.285 -3.231 1.00 2.05 H new ATOM 0 HD2 LYS A 16 -20.362 -7.881 -0.775 1.00 2.07 H new ATOM 0 HD3 LYS A 16 -21.984 -7.253 -0.995 1.00 2.07 H new ATOM 0 HE2 LYS A 16 -22.830 -9.399 -1.721 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -21.216 -10.047 -1.941 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 -22.274 -10.820 0.110 1.00 2.15 H new ATOM 0 HZ2 LYS A 16 -20.850 -9.951 0.430 1.00 2.15 H new ATOM 0 HZ3 LYS A 16 -22.364 -9.222 0.678 1.00 2.15 H new ATOM 278 N GLU A 17 -21.122 -5.078 -5.952 1.00 2.07 N ATOM 279 CA GLU A 17 -21.769 -5.058 -7.282 1.00 2.13 C ATOM 280 C GLU A 17 -20.763 -4.921 -8.463 1.00 2.10 C ATOM 281 O GLU A 17 -21.163 -4.916 -9.629 1.00 2.16 O ATOM 282 CB GLU A 17 -22.827 -3.936 -7.282 1.00 2.18 C ATOM 283 CG GLU A 17 -23.926 -4.112 -8.339 1.00 2.27 C ATOM 284 CD GLU A 17 -25.049 -3.074 -8.147 1.00 2.33 C ATOM 285 OE1 GLU A 17 -24.967 -1.965 -8.732 1.00 2.34 O ATOM 286 OE2 GLU A 17 -26.032 -3.362 -7.422 1.00 2.37 O ATOM 0 H GLU A 17 -21.272 -4.228 -5.408 1.00 2.07 H new ATOM 0 HA GLU A 17 -22.247 -6.023 -7.451 1.00 2.13 H new ATOM 0 HB2 GLU A 17 -23.290 -3.888 -6.296 1.00 2.18 H new ATOM 0 HB3 GLU A 17 -22.328 -2.981 -7.447 1.00 2.18 H new ATOM 0 HG2 GLU A 17 -23.497 -4.008 -9.336 1.00 2.27 H new ATOM 0 HG3 GLU A 17 -24.341 -5.118 -8.273 1.00 2.27 H new ATOM 293 N ARG A 18 -19.454 -4.834 -8.170 1.00 2.02 N ATOM 294 CA ARG A 18 -18.383 -4.825 -9.195 1.00 1.99 C ATOM 295 C ARG A 18 -17.411 -6.012 -9.040 1.00 1.95 C ATOM 296 O ARG A 18 -16.289 -5.973 -9.549 1.00 1.90 O ATOM 297 CB ARG A 18 -17.690 -3.438 -9.245 1.00 1.94 C ATOM 298 CG ARG A 18 -18.335 -2.467 -10.252 1.00 2.01 C ATOM 299 CD ARG A 18 -19.631 -1.811 -9.764 1.00 2.06 C ATOM 300 NE ARG A 18 -20.323 -1.113 -10.863 1.00 2.13 N ATOM 301 CZ ARG A 18 -21.253 -1.610 -11.661 1.00 2.22 C ATOM 302 NH1 ARG A 18 -21.694 -2.834 -11.561 1.00 2.24 N ATOM 303 NH2 ARG A 18 -21.761 -0.869 -12.603 1.00 2.28 N ATOM 0 H ARG A 18 -19.103 -4.768 -7.215 1.00 2.02 H new ATOM 0 HA ARG A 18 -18.840 -4.977 -10.173 1.00 1.99 H new ATOM 0 HB2 ARG A 18 -17.718 -2.990 -8.252 1.00 1.94 H new ATOM 0 HB3 ARG A 18 -16.640 -3.574 -9.504 1.00 1.94 H new ATOM 0 HG2 ARG A 18 -17.616 -1.685 -10.494 1.00 2.01 H new ATOM 0 HG3 ARG A 18 -18.542 -3.007 -11.176 1.00 2.01 H new ATOM 0 HD2 ARG A 18 -20.289 -2.570 -9.341 1.00 2.06 H new ATOM 0 HD3 ARG A 18 -19.405 -1.104 -8.966 1.00 2.06 H new ATOM 0 HE ARG A 18 -20.056 -0.142 -11.025 1.00 2.13 H new ATOM 0 HH11 ARG A 18 -21.320 -3.454 -10.843 1.00 2.24 H new ATOM 0 HH12 ARG A 18 -22.413 -3.171 -12.201 1.00 2.24 H new ATOM 0 HH21 ARG A 18 -21.442 0.092 -12.724 1.00 2.28 H new ATOM 0 HH22 ARG A 18 -22.478 -1.249 -13.220 1.00 2.28 H new ATOM 317 N LYS A 19 -17.841 -7.086 -8.356 1.00 1.97 N ATOM 318 CA LYS A 19 -17.117 -8.363 -8.153 1.00 1.95 C ATOM 319 C LYS A 19 -15.818 -8.174 -7.360 1.00 1.86 C ATOM 320 O LYS A 19 -14.908 -9.008 -7.411 1.00 1.84 O ATOM 321 CB LYS A 19 -16.924 -9.113 -9.491 1.00 1.99 C ATOM 322 CG LYS A 19 -18.245 -9.356 -10.240 1.00 2.09 C ATOM 323 CD LYS A 19 -18.009 -10.124 -11.547 1.00 2.13 C ATOM 324 CE LYS A 19 -19.335 -10.318 -12.292 1.00 2.22 C ATOM 325 NZ LYS A 19 -19.141 -11.035 -13.580 1.00 2.27 N ATOM 0 H LYS A 19 -18.754 -7.092 -7.902 1.00 1.97 H new ATOM 0 HA LYS A 19 -17.738 -9.005 -7.529 1.00 1.95 H new ATOM 0 HB2 LYS A 19 -16.251 -8.540 -10.129 1.00 1.99 H new ATOM 0 HB3 LYS A 19 -16.441 -10.071 -9.298 1.00 1.99 H new ATOM 0 HG2 LYS A 19 -18.929 -9.918 -9.604 1.00 2.09 H new ATOM 0 HG3 LYS A 19 -18.724 -8.401 -10.458 1.00 2.09 H new ATOM 0 HD2 LYS A 19 -17.306 -9.578 -12.176 1.00 2.13 H new ATOM 0 HD3 LYS A 19 -17.559 -11.093 -11.332 1.00 2.13 H new ATOM 0 HE2 LYS A 19 -20.027 -10.879 -11.664 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -19.792 -9.347 -12.481 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -20.059 -11.148 -14.056 1.00 2.27 H new ATOM 0 HZ2 LYS A 19 -18.500 -10.487 -14.189 1.00 2.27 H new ATOM 0 HZ3 LYS A 19 -18.728 -11.972 -13.397 1.00 2.27 H new ATOM 339 N THR A 20 -15.763 -7.080 -6.597 1.00 1.82 N ATOM 340 CA THR A 20 -14.572 -6.700 -5.838 1.00 1.73 C ATOM 341 C THR A 20 -14.948 -6.249 -4.414 1.00 1.72 C ATOM 342 O THR A 20 -14.646 -5.121 -4.036 1.00 1.68 O ATOM 343 CB THR A 20 -13.737 -5.637 -6.599 1.00 1.69 C ATOM 344 OG1 THR A 20 -13.585 -5.982 -7.962 1.00 1.72 O ATOM 345 CG2 THR A 20 -12.308 -5.497 -6.065 1.00 1.61 C ATOM 0 H THR A 20 -16.544 -6.433 -6.489 1.00 1.82 H new ATOM 0 HA THR A 20 -13.936 -7.579 -5.734 1.00 1.73 H new ATOM 0 HB THR A 20 -14.293 -4.710 -6.461 1.00 1.69 H new ATOM 0 HG1 THR A 20 -14.449 -5.902 -8.418 1.00 1.72 H new ATOM 0 HG21 THR A 20 -11.777 -4.738 -6.640 1.00 1.61 H new ATOM 0 HG22 THR A 20 -12.339 -5.202 -5.016 1.00 1.61 H new ATOM 0 HG23 THR A 20 -11.790 -6.451 -6.158 1.00 1.61 H new ATOM 353 N PRO A 21 -15.666 -7.067 -3.614 1.00 1.76 N ATOM 354 CA PRO A 21 -16.082 -6.692 -2.256 1.00 1.76 C ATOM 355 C PRO A 21 -14.894 -6.539 -1.291 1.00 1.69 C ATOM 356 O PRO A 21 -13.838 -7.141 -1.484 1.00 1.66 O ATOM 357 CB PRO A 21 -17.014 -7.823 -1.805 1.00 1.84 C ATOM 358 CG PRO A 21 -16.489 -9.041 -2.562 1.00 1.85 C ATOM 359 CD PRO A 21 -16.076 -8.436 -3.901 1.00 1.82 C ATOM 0 HA PRO A 21 -16.570 -5.718 -2.253 1.00 1.76 H new ATOM 0 HB2 PRO A 21 -16.971 -7.972 -0.726 1.00 1.84 H new ATOM 0 HB3 PRO A 21 -18.053 -7.611 -2.057 1.00 1.84 H new ATOM 0 HG2 PRO A 21 -15.648 -9.507 -2.049 1.00 1.85 H new ATOM 0 HG3 PRO A 21 -17.255 -9.808 -2.681 1.00 1.85 H new ATOM 0 HD2 PRO A 21 -15.260 -9.002 -4.350 1.00 1.82 H new ATOM 0 HD3 PRO A 21 -16.904 -8.455 -4.610 1.00 1.82 H new ATOM 367 N ILE A 22 -15.098 -5.824 -0.179 1.00 1.68 N ATOM 368 CA ILE A 22 -14.120 -5.800 0.941 1.00 1.64 C ATOM 369 C ILE A 22 -13.896 -7.224 1.516 1.00 1.67 C ATOM 370 O ILE A 22 -12.840 -7.538 2.057 1.00 1.64 O ATOM 371 CB ILE A 22 -14.567 -4.750 1.994 1.00 1.64 C ATOM 372 CG1 ILE A 22 -14.530 -3.346 1.356 1.00 1.61 C ATOM 373 CG2 ILE A 22 -13.695 -4.787 3.264 1.00 1.61 C ATOM 374 CD1 ILE A 22 -15.025 -2.206 2.253 1.00 1.62 C ATOM 0 H ILE A 22 -15.927 -5.251 -0.020 1.00 1.68 H new ATOM 0 HA ILE A 22 -13.141 -5.485 0.580 1.00 1.64 H new ATOM 0 HB ILE A 22 -15.583 -4.993 2.304 1.00 1.64 H new ATOM 0 HG12 ILE A 22 -13.506 -3.129 1.053 1.00 1.61 H new ATOM 0 HG13 ILE A 22 -15.134 -3.361 0.449 1.00 1.61 H new ATOM 0 HG21 ILE A 22 -14.048 -4.035 3.969 1.00 1.61 H new ATOM 0 HG22 ILE A 22 -13.762 -5.774 3.722 1.00 1.61 H new ATOM 0 HG23 ILE A 22 -12.658 -4.579 3.000 1.00 1.61 H new ATOM 0 HD11 ILE A 22 -14.958 -1.262 1.712 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -16.061 -2.390 2.536 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -14.408 -2.154 3.150 1.00 1.62 H new ATOM 386 N GLU A 23 -14.877 -8.105 1.294 1.00 1.74 N ATOM 387 CA GLU A 23 -14.735 -9.553 1.544 1.00 1.78 C ATOM 388 C GLU A 23 -13.528 -10.235 0.839 1.00 1.75 C ATOM 389 O GLU A 23 -13.168 -11.353 1.223 1.00 1.78 O ATOM 390 CB GLU A 23 -16.041 -10.291 1.205 1.00 1.87 C ATOM 391 CG GLU A 23 -17.231 -9.817 2.050 1.00 1.91 C ATOM 392 CD GLU A 23 -18.475 -10.681 1.778 1.00 2.00 C ATOM 393 OE1 GLU A 23 -19.207 -10.398 0.800 1.00 2.02 O ATOM 394 OE2 GLU A 23 -18.732 -11.646 2.539 1.00 2.06 O ATOM 0 H GLU A 23 -15.794 -7.839 0.936 1.00 1.74 H new ATOM 0 HA GLU A 23 -14.521 -9.632 2.610 1.00 1.78 H new ATOM 0 HB2 GLU A 23 -16.271 -10.146 0.149 1.00 1.87 H new ATOM 0 HB3 GLU A 23 -15.898 -11.361 1.356 1.00 1.87 H new ATOM 0 HG2 GLU A 23 -16.973 -9.866 3.108 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -17.451 -8.774 1.823 1.00 1.91 H new ATOM 401 N ARG A 24 -12.854 -9.582 -0.131 1.00 1.69 N ATOM 402 CA ARG A 24 -11.573 -10.028 -0.738 1.00 1.65 C ATOM 403 C ARG A 24 -10.369 -9.115 -0.421 1.00 1.57 C ATOM 404 O ARG A 24 -9.302 -9.265 -1.018 1.00 1.53 O ATOM 405 CB ARG A 24 -11.758 -10.328 -2.245 1.00 1.67 C ATOM 406 CG ARG A 24 -11.608 -9.126 -3.202 1.00 1.62 C ATOM 407 CD ARG A 24 -12.096 -9.445 -4.625 1.00 1.67 C ATOM 408 NE ARG A 24 -11.275 -10.474 -5.291 1.00 1.67 N ATOM 409 CZ ARG A 24 -11.486 -11.008 -6.485 1.00 1.72 C ATOM 410 NH1 ARG A 24 -12.496 -10.680 -7.245 1.00 1.77 N ATOM 411 NH2 ARG A 24 -10.662 -11.904 -6.948 1.00 1.72 N ATOM 0 H ARG A 24 -13.192 -8.705 -0.528 1.00 1.69 H new ATOM 0 HA ARG A 24 -11.302 -10.966 -0.254 1.00 1.65 H new ATOM 0 HB2 ARG A 24 -11.033 -11.089 -2.534 1.00 1.67 H new ATOM 0 HB3 ARG A 24 -12.748 -10.760 -2.389 1.00 1.67 H new ATOM 0 HG2 ARG A 24 -12.171 -8.280 -2.809 1.00 1.62 H new ATOM 0 HG3 ARG A 24 -10.562 -8.823 -3.239 1.00 1.62 H new ATOM 0 HD2 ARG A 24 -13.131 -9.784 -4.582 1.00 1.67 H new ATOM 0 HD3 ARG A 24 -12.083 -8.533 -5.222 1.00 1.67 H new ATOM 0 HE ARG A 24 -10.459 -10.810 -4.779 1.00 1.67 H new ATOM 0 HH11 ARG A 24 -13.168 -9.982 -6.927 1.00 1.77 H new ATOM 0 HH12 ARG A 24 -12.613 -11.122 -8.157 1.00 1.77 H new ATOM 0 HH21 ARG A 24 -9.857 -12.193 -6.392 1.00 1.72 H new ATOM 0 HH22 ARG A 24 -10.821 -12.317 -7.867 1.00 1.72 H new ATOM 425 N ILE A 25 -10.522 -8.196 0.537 1.00 1.55 N ATOM 426 CA ILE A 25 -9.540 -7.186 0.972 1.00 1.48 C ATOM 427 C ILE A 25 -9.398 -7.271 2.513 1.00 1.49 C ATOM 428 O ILE A 25 -9.961 -6.451 3.245 1.00 1.50 O ATOM 429 CB ILE A 25 -9.932 -5.766 0.476 1.00 1.45 C ATOM 430 CG1 ILE A 25 -10.373 -5.729 -1.008 1.00 1.46 C ATOM 431 CG2 ILE A 25 -8.721 -4.835 0.683 1.00 1.37 C ATOM 432 CD1 ILE A 25 -10.856 -4.352 -1.481 1.00 1.45 C ATOM 0 H ILE A 25 -11.391 -8.130 1.067 1.00 1.55 H new ATOM 0 HA ILE A 25 -8.567 -7.390 0.525 1.00 1.48 H new ATOM 0 HB ILE A 25 -10.795 -5.438 1.055 1.00 1.45 H new ATOM 0 HG12 ILE A 25 -9.537 -6.044 -1.633 1.00 1.46 H new ATOM 0 HG13 ILE A 25 -11.173 -6.454 -1.157 1.00 1.46 H new ATOM 0 HG21 ILE A 25 -8.972 -3.831 0.342 1.00 1.37 H new ATOM 0 HG22 ILE A 25 -8.462 -4.805 1.741 1.00 1.37 H new ATOM 0 HG23 ILE A 25 -7.872 -5.211 0.112 1.00 1.37 H new ATOM 0 HD11 ILE A 25 -11.147 -4.409 -2.530 1.00 1.45 H new ATOM 0 HD12 ILE A 25 -11.713 -4.042 -0.883 1.00 1.45 H new ATOM 0 HD13 ILE A 25 -10.052 -3.625 -1.366 1.00 1.45 H new ATOM 444 N PRO A 26 -8.830 -8.389 3.001 1.00 1.53 N ATOM 445 CA PRO A 26 -8.791 -8.703 4.435 1.00 1.57 C ATOM 446 C PRO A 26 -7.996 -7.790 5.362 1.00 1.52 C ATOM 447 O PRO A 26 -8.551 -7.311 6.355 1.00 1.50 O ATOM 448 CB PRO A 26 -8.242 -10.133 4.479 1.00 1.62 C ATOM 449 CG PRO A 26 -7.518 -10.328 3.196 1.00 1.59 C ATOM 450 CD PRO A 26 -8.176 -9.429 2.188 1.00 1.55 C ATOM 0 HA PRO A 26 -9.795 -8.561 4.835 1.00 1.57 H new ATOM 0 HB2 PRO A 26 -7.574 -10.270 5.330 1.00 1.62 H new ATOM 0 HB3 PRO A 26 -9.048 -10.858 4.587 1.00 1.62 H new ATOM 0 HG2 PRO A 26 -6.462 -10.079 3.306 1.00 1.59 H new ATOM 0 HG3 PRO A 26 -7.569 -11.369 2.877 1.00 1.59 H new ATOM 0 HD2 PRO A 26 -7.446 -8.998 1.503 1.00 1.55 H new ATOM 0 HD3 PRO A 26 -8.900 -9.974 1.582 1.00 1.55 H new ATOM 458 N TYR A 27 -6.731 -7.525 5.080 1.00 1.52 N ATOM 459 CA TYR A 27 -5.952 -6.728 6.023 1.00 1.49 C ATOM 460 C TYR A 27 -5.231 -5.525 5.420 1.00 1.38 C ATOM 461 O TYR A 27 -5.462 -5.101 4.287 1.00 1.34 O ATOM 462 CB TYR A 27 -4.902 -7.615 6.716 1.00 1.61 C ATOM 463 CG TYR A 27 -5.347 -9.029 7.025 1.00 1.65 C ATOM 464 CD1 TYR A 27 -5.170 -10.053 6.102 1.00 1.76 C ATOM 465 CD2 TYR A 27 -5.927 -9.344 8.249 1.00 1.91 C ATOM 466 CE1 TYR A 27 -5.561 -11.349 6.387 1.00 2.09 C ATOM 467 CE2 TYR A 27 -6.317 -10.638 8.542 1.00 2.21 C ATOM 468 CZ TYR A 27 -6.133 -11.635 7.608 1.00 2.29 C ATOM 469 OH TYR A 27 -6.518 -12.923 7.898 1.00 2.75 O ATOM 0 H TYR A 27 -6.235 -7.833 4.244 1.00 1.52 H new ATOM 0 HA TYR A 27 -6.688 -6.332 6.723 1.00 1.49 H new ATOM 0 HB2 TYR A 27 -4.016 -7.661 6.083 1.00 1.61 H new ATOM 0 HB3 TYR A 27 -4.603 -7.135 7.648 1.00 1.61 H new ATOM 0 HD1 TYR A 27 -4.719 -9.833 5.146 1.00 1.76 H new ATOM 0 HD2 TYR A 27 -6.075 -8.565 8.983 1.00 1.91 H new ATOM 0 HE1 TYR A 27 -5.419 -12.132 5.657 1.00 2.09 H new ATOM 0 HE2 TYR A 27 -6.764 -10.866 9.498 1.00 2.21 H new ATOM 0 HH TYR A 27 -6.902 -12.955 8.799 1.00 2.75 H new ATOM 479 N LEU A 28 -4.352 -5.002 6.265 1.00 1.39 N ATOM 480 CA LEU A 28 -3.464 -3.875 6.008 1.00 1.35 C ATOM 481 C LEU A 28 -2.058 -4.376 6.307 1.00 1.35 C ATOM 482 O LEU A 28 -1.937 -5.447 6.907 1.00 1.38 O ATOM 483 CB LEU A 28 -3.819 -2.693 6.912 1.00 1.42 C ATOM 484 CG LEU A 28 -2.973 -1.440 6.750 1.00 1.37 C ATOM 485 CD1 LEU A 28 -3.163 -0.842 5.365 1.00 1.58 C ATOM 486 CD2 LEU A 28 -3.330 -0.437 7.832 1.00 1.77 C ATOM 0 H LEU A 28 -4.233 -5.376 7.206 1.00 1.39 H new ATOM 0 HA LEU A 28 -3.552 -3.523 4.980 1.00 1.35 H new ATOM 0 HB2 LEU A 28 -4.861 -2.427 6.733 1.00 1.42 H new ATOM 0 HB3 LEU A 28 -3.747 -3.022 7.949 1.00 1.42 H new ATOM 0 HG LEU A 28 -1.921 -1.704 6.855 1.00 1.37 H new ATOM 0 HD11 LEU A 28 -2.550 0.054 5.268 1.00 1.58 H new ATOM 0 HD12 LEU A 28 -2.864 -1.570 4.610 1.00 1.58 H new ATOM 0 HD13 LEU A 28 -4.212 -0.581 5.222 1.00 1.58 H new ATOM 0 HD21 LEU A 28 -2.721 0.459 7.712 1.00 1.77 H new ATOM 0 HD22 LEU A 28 -4.384 -0.173 7.750 1.00 1.77 H new ATOM 0 HD23 LEU A 28 -3.141 -0.876 8.812 1.00 1.77 H new ATOM 583 N ASN A 34 -9.358 -1.501 7.256 1.00 1.56 N ATOM 584 CA ASN A 34 -9.910 -0.172 7.568 1.00 1.58 C ATOM 585 C ASN A 34 -9.956 0.701 6.307 1.00 1.57 C ATOM 586 O ASN A 34 -10.136 0.173 5.206 1.00 1.91 O ATOM 587 CB ASN A 34 -9.089 0.496 8.676 1.00 1.60 C ATOM 588 CG ASN A 34 -9.200 -0.249 9.992 1.00 1.73 C ATOM 589 OD1 ASN A 34 -8.274 -0.946 10.403 1.00 2.14 O ATOM 590 ND2 ASN A 34 -10.344 -0.115 10.657 1.00 2.10 N ATOM 0 HA ASN A 34 -10.932 -0.291 7.928 1.00 1.58 H new ATOM 0 HB2 ASN A 34 -8.043 0.544 8.374 1.00 1.60 H new ATOM 0 HB3 ASN A 34 -9.429 1.523 8.811 1.00 1.60 H new ATOM 0 HD21 ASN A 34 -10.478 -0.601 11.544 1.00 2.10 H new ATOM 0 HD22 ASN A 34 -11.087 0.473 10.280 1.00 2.10 H new ATOM 597 N LEU A 35 -9.821 2.028 6.456 1.00 1.38 N ATOM 598 CA LEU A 35 -9.817 2.917 5.288 1.00 1.34 C ATOM 599 C LEU A 35 -9.565 4.384 5.643 1.00 1.32 C ATOM 600 O LEU A 35 -8.553 4.951 5.239 1.00 1.28 O ATOM 601 CB LEU A 35 -11.127 2.805 4.496 1.00 1.40 C ATOM 602 CG LEU A 35 -11.098 3.409 3.080 1.00 1.43 C ATOM 603 CD1 LEU A 35 -11.391 4.904 3.115 1.00 1.47 C ATOM 604 CD2 LEU A 35 -9.753 3.151 2.412 1.00 1.52 C ATOM 0 H LEU A 35 -9.715 2.500 7.354 1.00 1.38 H new ATOM 0 HA LEU A 35 -8.984 2.580 4.671 1.00 1.34 H new ATOM 0 HB2 LEU A 35 -11.395 1.751 4.417 1.00 1.40 H new ATOM 0 HB3 LEU A 35 -11.918 3.294 5.065 1.00 1.40 H new ATOM 0 HG LEU A 35 -11.878 2.922 2.495 1.00 1.43 H new ATOM 0 HD11 LEU A 35 -11.364 5.304 2.101 1.00 1.47 H new ATOM 0 HD12 LEU A 35 -12.379 5.071 3.545 1.00 1.47 H new ATOM 0 HD13 LEU A 35 -10.640 5.408 3.724 1.00 1.47 H new ATOM 0 HD21 LEU A 35 -9.754 3.586 1.413 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -8.959 3.605 3.005 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -9.583 2.077 2.340 1.00 1.52 H new ATOM 616 N TRP A 36 -10.516 4.996 6.358 1.00 1.37 N ATOM 617 CA TRP A 36 -10.444 6.417 6.745 1.00 1.37 C ATOM 618 C TRP A 36 -9.035 6.865 7.226 1.00 1.32 C ATOM 619 O TRP A 36 -8.596 7.973 6.922 1.00 1.31 O ATOM 620 CB TRP A 36 -11.492 6.722 7.825 1.00 1.45 C ATOM 621 CG TRP A 36 -11.392 5.855 9.047 1.00 1.50 C ATOM 622 CD1 TRP A 36 -11.690 4.525 9.139 1.00 1.55 C ATOM 623 CD2 TRP A 36 -10.979 6.265 10.355 1.00 1.53 C ATOM 624 NE1 TRP A 36 -11.476 4.081 10.421 1.00 1.61 N ATOM 625 CE2 TRP A 36 -11.042 5.130 11.187 1.00 1.60 C ATOM 626 CE3 TRP A 36 -10.558 7.480 10.904 1.00 1.54 C ATOM 627 CZ2 TRP A 36 -10.700 5.177 12.536 1.00 1.66 C ATOM 628 CZ3 TRP A 36 -10.220 7.524 12.244 1.00 1.61 C ATOM 629 CH2 TRP A 36 -10.292 6.379 13.046 1.00 1.66 C ATOM 0 H TRP A 36 -11.358 4.524 6.686 1.00 1.37 H new ATOM 0 HA TRP A 36 -10.654 6.991 5.842 1.00 1.37 H new ATOM 0 HB2 TRP A 36 -11.394 7.765 8.125 1.00 1.45 H new ATOM 0 HB3 TRP A 36 -12.486 6.607 7.393 1.00 1.45 H new ATOM 0 HD1 TRP A 36 -12.042 3.912 8.323 1.00 1.55 H new ATOM 0 HE1 TRP A 36 -11.617 3.126 10.749 1.00 1.61 H new ATOM 0 HE3 TRP A 36 -10.498 8.368 10.292 1.00 1.54 H new ATOM 0 HZ2 TRP A 36 -10.755 4.296 13.158 1.00 1.66 H new ATOM 0 HZ3 TRP A 36 -9.895 8.457 12.679 1.00 1.61 H new ATOM 0 HH2 TRP A 36 -10.020 6.446 14.089 1.00 1.66 H new ATOM 640 N THR A 37 -8.358 5.997 7.980 1.00 1.32 N ATOM 641 CA THR A 37 -7.001 6.236 8.513 1.00 1.29 C ATOM 642 C THR A 37 -5.931 6.228 7.418 1.00 1.23 C ATOM 643 O THR A 37 -5.155 7.178 7.342 1.00 1.21 O ATOM 644 CB THR A 37 -6.634 5.212 9.601 1.00 1.34 C ATOM 645 OG1 THR A 37 -7.548 5.296 10.672 1.00 1.41 O ATOM 646 CG2 THR A 37 -5.252 5.451 10.213 1.00 1.35 C ATOM 0 H THR A 37 -8.738 5.089 8.246 1.00 1.32 H new ATOM 0 HA THR A 37 -7.024 7.232 8.954 1.00 1.29 H new ATOM 0 HB THR A 37 -6.652 4.242 9.104 1.00 1.34 H new ATOM 0 HG1 THR A 37 -8.450 5.089 10.349 1.00 1.41 H new ATOM 0 HG21 THR A 37 -5.055 4.695 10.973 1.00 1.35 H new ATOM 0 HG22 THR A 37 -4.493 5.388 9.433 1.00 1.35 H new ATOM 0 HG23 THR A 37 -5.222 6.440 10.669 1.00 1.35 H new ATOM 654 N MET A 38 -5.886 5.222 6.530 1.00 1.20 N ATOM 655 CA MET A 38 -4.942 5.261 5.392 1.00 1.15 C ATOM 656 C MET A 38 -5.235 6.433 4.434 1.00 1.13 C ATOM 657 O MET A 38 -4.312 6.993 3.847 1.00 1.11 O ATOM 658 CB MET A 38 -4.854 3.924 4.633 1.00 1.14 C ATOM 659 CG MET A 38 -6.170 3.431 4.028 1.00 1.17 C ATOM 660 SD MET A 38 -5.971 2.322 2.607 1.00 1.17 S ATOM 661 CE MET A 38 -6.891 0.859 3.154 1.00 1.25 C ATOM 0 H MET A 38 -6.474 4.390 6.571 1.00 1.20 H new ATOM 0 HA MET A 38 -3.959 5.432 5.831 1.00 1.15 H new ATOM 0 HB2 MET A 38 -4.121 4.026 3.833 1.00 1.14 H new ATOM 0 HB3 MET A 38 -4.478 3.161 5.315 1.00 1.14 H new ATOM 0 HG2 MET A 38 -6.740 2.914 4.800 1.00 1.17 H new ATOM 0 HG3 MET A 38 -6.760 4.294 3.720 1.00 1.17 H new ATOM 0 HE1 MET A 38 -6.944 0.137 2.339 1.00 1.25 H new ATOM 0 HE2 MET A 38 -6.383 0.408 4.006 1.00 1.25 H new ATOM 0 HE3 MET A 38 -7.900 1.152 3.446 1.00 1.25 H new ATOM 671 N PHE A 39 -6.506 6.842 4.337 1.00 1.17 N ATOM 672 CA PHE A 39 -6.893 8.044 3.604 1.00 1.19 C ATOM 673 C PHE A 39 -6.313 9.315 4.227 1.00 1.20 C ATOM 674 O PHE A 39 -5.526 9.992 3.568 1.00 1.20 O ATOM 675 CB PHE A 39 -8.413 8.138 3.472 1.00 1.25 C ATOM 676 CG PHE A 39 -8.852 9.400 2.749 1.00 1.30 C ATOM 677 CD1 PHE A 39 -8.524 9.579 1.391 1.00 1.30 C ATOM 678 CD2 PHE A 39 -9.544 10.414 3.439 1.00 1.36 C ATOM 679 CE1 PHE A 39 -8.896 10.755 0.720 1.00 1.37 C ATOM 680 CE2 PHE A 39 -9.904 11.599 2.771 1.00 1.43 C ATOM 681 CZ PHE A 39 -9.577 11.770 1.414 1.00 1.44 C ATOM 0 H PHE A 39 -7.289 6.348 4.764 1.00 1.17 H new ATOM 0 HA PHE A 39 -6.468 7.960 2.604 1.00 1.19 H new ATOM 0 HB2 PHE A 39 -8.783 7.266 2.933 1.00 1.25 H new ATOM 0 HB3 PHE A 39 -8.864 8.115 4.464 1.00 1.25 H new ATOM 0 HD1 PHE A 39 -7.983 8.807 0.863 1.00 1.30 H new ATOM 0 HD2 PHE A 39 -9.798 10.282 4.480 1.00 1.36 H new ATOM 0 HE1 PHE A 39 -8.660 10.879 -0.326 1.00 1.37 H new ATOM 0 HE2 PHE A 39 -10.432 12.378 3.301 1.00 1.43 H new ATOM 0 HZ PHE A 39 -9.849 12.682 0.904 1.00 1.44 H new ATOM 691 N GLN A 40 -6.626 9.639 5.489 1.00 1.24 N ATOM 692 CA GLN A 40 -6.071 10.864 6.096 1.00 1.27 C ATOM 693 C GLN A 40 -4.532 10.830 6.207 1.00 1.25 C ATOM 694 O GLN A 40 -3.892 11.877 6.104 1.00 1.28 O ATOM 695 CB GLN A 40 -6.762 11.168 7.438 1.00 1.33 C ATOM 696 CG GLN A 40 -6.337 10.224 8.569 1.00 1.33 C ATOM 697 CD GLN A 40 -7.304 10.257 9.747 1.00 1.39 C ATOM 698 OE1 GLN A 40 -7.075 10.888 10.770 1.00 1.44 O ATOM 699 NE2 GLN A 40 -8.413 9.560 9.644 1.00 1.40 N ATOM 0 H GLN A 40 -7.239 9.094 6.095 1.00 1.24 H new ATOM 0 HA GLN A 40 -6.289 11.693 5.423 1.00 1.27 H new ATOM 0 HB2 GLN A 40 -6.539 12.195 7.729 1.00 1.33 H new ATOM 0 HB3 GLN A 40 -7.842 11.101 7.306 1.00 1.33 H new ATOM 0 HG2 GLN A 40 -6.272 9.206 8.184 1.00 1.33 H new ATOM 0 HG3 GLN A 40 -5.340 10.499 8.913 1.00 1.33 H new ATOM 0 HE21 GLN A 40 -8.607 9.033 8.793 1.00 1.40 H new ATOM 0 HE22 GLN A 40 -9.080 9.546 10.415 1.00 1.40 H new ATOM 708 N ALA A 41 -3.926 9.642 6.326 1.00 1.21 N ATOM 709 CA ALA A 41 -2.481 9.463 6.213 1.00 1.20 C ATOM 710 C ALA A 41 -1.967 9.840 4.814 1.00 1.18 C ATOM 711 O ALA A 41 -1.095 10.698 4.698 1.00 1.21 O ATOM 712 CB ALA A 41 -2.121 8.020 6.578 1.00 1.18 C ATOM 0 H ALA A 41 -4.432 8.775 6.505 1.00 1.21 H new ATOM 0 HA ALA A 41 -1.987 10.138 6.912 1.00 1.20 H new ATOM 0 HB1 ALA A 41 -1.043 7.882 6.495 1.00 1.18 H new ATOM 0 HB2 ALA A 41 -2.435 7.814 7.601 1.00 1.18 H new ATOM 0 HB3 ALA A 41 -2.628 7.335 5.898 1.00 1.18 H new ATOM 718 N ALA A 42 -2.545 9.289 3.742 1.00 1.14 N ATOM 719 CA ALA A 42 -2.202 9.664 2.371 1.00 1.14 C ATOM 720 C ALA A 42 -2.392 11.165 2.105 1.00 1.20 C ATOM 721 O ALA A 42 -1.553 11.776 1.457 1.00 1.23 O ATOM 722 CB ALA A 42 -3.018 8.815 1.389 1.00 1.11 C ATOM 0 H ALA A 42 -3.265 8.569 3.803 1.00 1.14 H new ATOM 0 HA ALA A 42 -1.141 9.465 2.223 1.00 1.14 H new ATOM 0 HB1 ALA A 42 -2.762 9.094 0.367 1.00 1.11 H new ATOM 0 HB2 ALA A 42 -2.791 7.760 1.544 1.00 1.11 H new ATOM 0 HB3 ALA A 42 -4.081 8.986 1.557 1.00 1.11 H new ATOM 728 N GLN A 43 -3.442 11.779 2.662 1.00 1.23 N ATOM 729 CA GLN A 43 -3.699 13.215 2.492 1.00 1.31 C ATOM 730 C GLN A 43 -2.665 14.091 3.230 1.00 1.35 C ATOM 731 O GLN A 43 -2.402 15.218 2.803 1.00 1.42 O ATOM 732 CB GLN A 43 -5.136 13.566 2.919 1.00 1.35 C ATOM 733 CG GLN A 43 -6.223 12.933 2.025 1.00 1.35 C ATOM 734 CD GLN A 43 -6.090 13.278 0.540 1.00 1.38 C ATOM 735 OE1 GLN A 43 -5.925 14.425 0.144 1.00 1.45 O ATOM 736 NE2 GLN A 43 -6.135 12.302 -0.343 1.00 1.35 N ATOM 0 H GLN A 43 -4.133 11.300 3.239 1.00 1.23 H new ATOM 0 HA GLN A 43 -3.591 13.437 1.430 1.00 1.31 H new ATOM 0 HB2 GLN A 43 -5.289 13.240 3.948 1.00 1.35 H new ATOM 0 HB3 GLN A 43 -5.254 14.649 2.907 1.00 1.35 H new ATOM 0 HG2 GLN A 43 -6.187 11.850 2.140 1.00 1.35 H new ATOM 0 HG3 GLN A 43 -7.202 13.259 2.376 1.00 1.35 H new ATOM 0 HE21 GLN A 43 -6.272 11.340 -0.033 1.00 1.35 H new ATOM 0 HE22 GLN A 43 -6.033 12.508 -1.337 1.00 1.35 H new ATOM 745 N LYS A 44 -2.024 13.549 4.276 1.00 1.33 N ATOM 746 CA LYS A 44 -0.891 14.215 4.939 1.00 1.39 C ATOM 747 C LYS A 44 0.397 14.023 4.136 1.00 1.39 C ATOM 748 O LYS A 44 1.100 14.996 3.856 1.00 1.45 O ATOM 749 CB LYS A 44 -0.770 13.670 6.372 1.00 1.39 C ATOM 750 CG LYS A 44 0.218 14.480 7.224 1.00 1.47 C ATOM 751 CD LYS A 44 0.435 13.873 8.617 1.00 1.49 C ATOM 752 CE LYS A 44 -0.876 13.700 9.397 1.00 1.49 C ATOM 753 NZ LYS A 44 -0.613 13.270 10.792 1.00 1.53 N ATOM 0 H LYS A 44 -2.272 12.647 4.683 1.00 1.33 H new ATOM 0 HA LYS A 44 -1.065 15.290 4.989 1.00 1.39 H new ATOM 0 HB2 LYS A 44 -1.751 13.683 6.847 1.00 1.39 H new ATOM 0 HB3 LYS A 44 -0.447 12.630 6.336 1.00 1.39 H new ATOM 0 HG2 LYS A 44 1.175 14.540 6.705 1.00 1.47 H new ATOM 0 HG3 LYS A 44 -0.151 15.500 7.330 1.00 1.47 H new ATOM 0 HD2 LYS A 44 0.923 12.904 8.515 1.00 1.49 H new ATOM 0 HD3 LYS A 44 1.110 14.512 9.186 1.00 1.49 H new ATOM 0 HE2 LYS A 44 -1.428 14.640 9.401 1.00 1.49 H new ATOM 0 HE3 LYS A 44 -1.505 12.963 8.898 1.00 1.49 H new ATOM 0 HZ1 LYS A 44 -1.515 13.160 11.297 1.00 1.53 H new ATOM 0 HZ2 LYS A 44 -0.107 12.361 10.786 1.00 1.53 H new ATOM 0 HZ3 LYS A 44 -0.032 13.986 11.272 1.00 1.53 H new ATOM 767 N LEU A 45 0.645 12.787 3.701 1.00 1.32 N ATOM 768 CA LEU A 45 1.761 12.468 2.800 1.00 1.32 C ATOM 769 C LEU A 45 1.560 12.951 1.324 1.00 1.34 C ATOM 770 O LEU A 45 2.337 12.561 0.450 1.00 1.34 O ATOM 771 CB LEU A 45 2.124 10.959 2.947 1.00 1.27 C ATOM 772 CG LEU A 45 2.829 10.463 4.248 1.00 1.30 C ATOM 773 CD1 LEU A 45 3.980 11.379 4.669 1.00 1.39 C ATOM 774 CD2 LEU A 45 1.906 10.296 5.452 1.00 1.29 C ATOM 0 H LEU A 45 0.081 11.978 3.961 1.00 1.32 H new ATOM 0 HA LEU A 45 2.627 13.053 3.111 1.00 1.32 H new ATOM 0 HB2 LEU A 45 1.202 10.389 2.837 1.00 1.27 H new ATOM 0 HB3 LEU A 45 2.765 10.694 2.106 1.00 1.27 H new ATOM 0 HG LEU A 45 3.200 9.478 3.967 1.00 1.30 H new ATOM 0 HD11 LEU A 45 4.439 10.992 5.579 1.00 1.39 H new ATOM 0 HD12 LEU A 45 4.725 11.416 3.874 1.00 1.39 H new ATOM 0 HD13 LEU A 45 3.597 12.383 4.854 1.00 1.39 H new ATOM 0 HD21 LEU A 45 2.484 9.948 6.308 1.00 1.29 H new ATOM 0 HD22 LEU A 45 1.443 11.253 5.691 1.00 1.29 H new ATOM 0 HD23 LEU A 45 1.131 9.567 5.218 1.00 1.29 H new ATOM 786 N GLY A 46 0.566 13.817 1.044 1.00 1.36 N ATOM 787 CA GLY A 46 0.490 14.525 -0.262 1.00 1.42 C ATOM 788 C GLY A 46 -0.542 14.017 -1.289 1.00 1.40 C ATOM 789 O GLY A 46 -0.383 14.211 -2.498 1.00 1.44 O ATOM 0 H GLY A 46 -0.189 14.045 1.691 1.00 1.36 H new ATOM 0 HA2 GLY A 46 0.277 15.575 -0.063 1.00 1.42 H new ATOM 0 HA3 GLY A 46 1.475 14.482 -0.726 1.00 1.42 H new ATOM 793 N GLY A 47 -1.589 13.370 -0.783 1.00 1.34 N ATOM 794 CA GLY A 47 -2.557 12.633 -1.593 1.00 1.32 C ATOM 795 C GLY A 47 -1.944 11.482 -2.398 1.00 1.28 C ATOM 796 O GLY A 47 -0.723 11.320 -2.486 1.00 1.27 O ATOM 0 H GLY A 47 -1.792 13.342 0.216 1.00 1.34 H new ATOM 0 HA2 GLY A 47 -3.333 12.234 -0.940 1.00 1.32 H new ATOM 0 HA3 GLY A 47 -3.043 13.325 -2.280 1.00 1.32 H new ATOM 800 N TYR A 48 -2.813 10.703 -3.045 1.00 1.27 N ATOM 801 CA TYR A 48 -2.382 9.679 -4.008 1.00 1.26 C ATOM 802 C TYR A 48 -1.447 10.218 -5.113 1.00 1.32 C ATOM 803 O TYR A 48 -0.681 9.457 -5.705 1.00 1.31 O ATOM 804 CB TYR A 48 -3.624 9.014 -4.611 1.00 1.28 C ATOM 805 CG TYR A 48 -3.350 7.704 -5.329 1.00 1.26 C ATOM 806 CD1 TYR A 48 -3.208 6.517 -4.587 1.00 1.20 C ATOM 807 CD2 TYR A 48 -3.246 7.670 -6.734 1.00 1.33 C ATOM 808 CE1 TYR A 48 -2.999 5.289 -5.243 1.00 1.21 C ATOM 809 CE2 TYR A 48 -3.018 6.447 -7.393 1.00 1.33 C ATOM 810 CZ TYR A 48 -2.906 5.253 -6.650 1.00 1.27 C ATOM 811 OH TYR A 48 -2.713 4.075 -7.300 1.00 1.29 O ATOM 0 H TYR A 48 -3.824 10.760 -2.921 1.00 1.27 H new ATOM 0 HA TYR A 48 -1.785 8.947 -3.464 1.00 1.26 H new ATOM 0 HB2 TYR A 48 -4.347 8.834 -3.815 1.00 1.28 H new ATOM 0 HB3 TYR A 48 -4.088 9.708 -5.312 1.00 1.28 H new ATOM 0 HD1 TYR A 48 -3.260 6.548 -3.509 1.00 1.20 H new ATOM 0 HD2 TYR A 48 -3.341 8.582 -7.305 1.00 1.33 H new ATOM 0 HE1 TYR A 48 -2.910 4.377 -4.671 1.00 1.21 H new ATOM 0 HE2 TYR A 48 -2.929 6.423 -8.469 1.00 1.33 H new ATOM 0 HH TYR A 48 -2.674 4.237 -8.266 1.00 1.29 H new ATOM 821 N GLU A 49 -1.463 11.529 -5.383 1.00 1.39 N ATOM 822 CA GLU A 49 -0.659 12.113 -6.469 1.00 1.47 C ATOM 823 C GLU A 49 0.821 12.259 -6.096 1.00 1.46 C ATOM 824 O GLU A 49 1.683 11.807 -6.854 1.00 1.48 O ATOM 825 CB GLU A 49 -1.255 13.462 -6.887 1.00 1.57 C ATOM 826 CG GLU A 49 -2.528 13.248 -7.716 1.00 1.61 C ATOM 827 CD GLU A 49 -3.272 14.568 -7.956 1.00 1.71 C ATOM 828 OE1 GLU A 49 -2.800 15.415 -8.754 1.00 1.80 O ATOM 829 OE2 GLU A 49 -4.357 14.748 -7.353 1.00 1.72 O ATOM 0 H GLU A 49 -2.023 12.207 -4.866 1.00 1.39 H new ATOM 0 HA GLU A 49 -0.695 11.424 -7.313 1.00 1.47 H new ATOM 0 HB2 GLU A 49 -1.485 14.056 -6.002 1.00 1.57 H new ATOM 0 HB3 GLU A 49 -0.525 14.025 -7.468 1.00 1.57 H new ATOM 0 HG2 GLU A 49 -2.268 12.796 -8.673 1.00 1.61 H new ATOM 0 HG3 GLU A 49 -3.185 12.547 -7.201 1.00 1.61 H new ATOM 836 N THR A 50 1.142 12.801 -4.913 1.00 1.44 N ATOM 837 CA THR A 50 2.520 12.774 -4.392 1.00 1.45 C ATOM 838 C THR A 50 2.962 11.336 -4.133 1.00 1.37 C ATOM 839 O THR A 50 4.100 10.975 -4.431 1.00 1.40 O ATOM 840 CB THR A 50 2.687 13.606 -3.112 1.00 1.46 C ATOM 841 OG1 THR A 50 2.272 14.937 -3.343 1.00 1.54 O ATOM 842 CG2 THR A 50 4.140 13.690 -2.638 1.00 1.50 C ATOM 0 H THR A 50 0.471 13.262 -4.299 1.00 1.44 H new ATOM 0 HA THR A 50 3.153 13.224 -5.157 1.00 1.45 H new ATOM 0 HB THR A 50 2.084 13.105 -2.355 1.00 1.46 H new ATOM 0 HG1 THR A 50 1.320 15.024 -3.129 1.00 1.54 H new ATOM 0 HG21 THR A 50 4.192 14.291 -1.730 1.00 1.50 H new ATOM 0 HG22 THR A 50 4.514 12.687 -2.432 1.00 1.50 H new ATOM 0 HG23 THR A 50 4.750 14.152 -3.414 1.00 1.50 H new ATOM 850 N ILE A 51 2.045 10.484 -3.660 1.00 1.30 N ATOM 851 CA ILE A 51 2.309 9.047 -3.501 1.00 1.24 C ATOM 852 C ILE A 51 2.763 8.391 -4.815 1.00 1.27 C ATOM 853 O ILE A 51 3.746 7.653 -4.818 1.00 1.27 O ATOM 854 CB ILE A 51 1.066 8.377 -2.856 1.00 1.18 C ATOM 855 CG1 ILE A 51 1.270 8.135 -1.349 1.00 1.14 C ATOM 856 CG2 ILE A 51 0.634 7.064 -3.518 1.00 1.15 C ATOM 857 CD1 ILE A 51 1.249 9.431 -0.525 1.00 1.17 C ATOM 0 H ILE A 51 1.106 10.767 -3.378 1.00 1.30 H new ATOM 0 HA ILE A 51 3.153 8.900 -2.827 1.00 1.24 H new ATOM 0 HB ILE A 51 0.262 9.095 -3.018 1.00 1.18 H new ATOM 0 HG12 ILE A 51 0.490 7.467 -0.985 1.00 1.14 H new ATOM 0 HG13 ILE A 51 2.222 7.628 -1.194 1.00 1.14 H new ATOM 0 HG21 ILE A 51 -0.241 6.667 -3.003 1.00 1.15 H new ATOM 0 HG22 ILE A 51 0.387 7.248 -4.564 1.00 1.15 H new ATOM 0 HG23 ILE A 51 1.448 6.342 -3.459 1.00 1.15 H new ATOM 0 HD11 ILE A 51 1.398 9.195 0.529 1.00 1.17 H new ATOM 0 HD12 ILE A 51 2.047 10.091 -0.865 1.00 1.17 H new ATOM 0 HD13 ILE A 51 0.287 9.928 -0.653 1.00 1.17 H new ATOM 869 N THR A 52 2.095 8.680 -5.930 1.00 1.30 N ATOM 870 CA THR A 52 2.463 8.107 -7.239 1.00 1.35 C ATOM 871 C THR A 52 3.738 8.732 -7.799 1.00 1.42 C ATOM 872 O THR A 52 4.570 8.018 -8.367 1.00 1.45 O ATOM 873 CB THR A 52 1.298 8.254 -8.229 1.00 1.39 C ATOM 874 OG1 THR A 52 0.198 7.534 -7.718 1.00 1.34 O ATOM 875 CG2 THR A 52 1.586 7.657 -9.608 1.00 1.45 C ATOM 0 H THR A 52 1.292 9.309 -5.961 1.00 1.30 H new ATOM 0 HA THR A 52 2.668 7.047 -7.091 1.00 1.35 H new ATOM 0 HB THR A 52 1.119 9.323 -8.342 1.00 1.39 H new ATOM 0 HG1 THR A 52 -0.229 8.052 -7.004 1.00 1.34 H new ATOM 0 HG21 THR A 52 0.719 7.798 -10.254 1.00 1.45 H new ATOM 0 HG22 THR A 52 2.450 8.155 -10.047 1.00 1.45 H new ATOM 0 HG23 THR A 52 1.794 6.592 -9.507 1.00 1.45 H new ATOM 883 N ALA A 53 3.945 10.031 -7.578 1.00 1.47 N ATOM 884 CA ALA A 53 5.175 10.712 -7.980 1.00 1.55 C ATOM 885 C ALA A 53 6.421 10.290 -7.168 1.00 1.54 C ATOM 886 O ALA A 53 7.538 10.459 -7.669 1.00 1.61 O ATOM 887 CB ALA A 53 4.936 12.224 -7.865 1.00 1.61 C ATOM 0 H ALA A 53 3.267 10.638 -7.117 1.00 1.47 H new ATOM 0 HA ALA A 53 5.399 10.423 -9.007 1.00 1.55 H new ATOM 0 HB1 ALA A 53 5.839 12.759 -8.159 1.00 1.61 H new ATOM 0 HB2 ALA A 53 4.114 12.513 -8.519 1.00 1.61 H new ATOM 0 HB3 ALA A 53 4.685 12.475 -6.834 1.00 1.61 H new ATOM 893 N ARG A 54 6.253 9.753 -5.943 1.00 1.47 N ATOM 894 CA ARG A 54 7.397 9.545 -5.017 1.00 1.49 C ATOM 895 C ARG A 54 7.493 8.163 -4.349 1.00 1.44 C ATOM 896 O ARG A 54 8.491 7.901 -3.680 1.00 1.48 O ATOM 897 CB ARG A 54 7.352 10.626 -3.917 1.00 1.51 C ATOM 898 CG ARG A 54 7.450 12.089 -4.392 1.00 1.59 C ATOM 899 CD ARG A 54 8.786 12.445 -5.063 1.00 1.68 C ATOM 900 NE ARG A 54 9.945 12.238 -4.169 1.00 1.72 N ATOM 901 CZ ARG A 54 10.378 13.042 -3.212 1.00 1.77 C ATOM 902 NH1 ARG A 54 9.799 14.178 -2.937 1.00 1.79 N ATOM 903 NH2 ARG A 54 11.419 12.716 -2.504 1.00 1.82 N ATOM 0 H ARG A 54 5.351 9.457 -5.570 1.00 1.47 H new ATOM 0 HA ARG A 54 8.283 9.615 -5.648 1.00 1.49 H new ATOM 0 HB2 ARG A 54 6.422 10.509 -3.360 1.00 1.51 H new ATOM 0 HB3 ARG A 54 8.168 10.438 -3.219 1.00 1.51 H new ATOM 0 HG2 ARG A 54 6.640 12.286 -5.094 1.00 1.59 H new ATOM 0 HG3 ARG A 54 7.299 12.748 -3.537 1.00 1.59 H new ATOM 0 HD2 ARG A 54 8.911 11.838 -5.960 1.00 1.68 H new ATOM 0 HD3 ARG A 54 8.761 13.486 -5.384 1.00 1.68 H new ATOM 0 HE ARG A 54 10.472 11.375 -4.306 1.00 1.72 H new ATOM 0 HH11 ARG A 54 8.981 14.475 -3.468 1.00 1.79 H new ATOM 0 HH12 ARG A 54 10.165 14.769 -2.191 1.00 1.79 H new ATOM 0 HH21 ARG A 54 11.905 11.838 -2.686 1.00 1.82 H new ATOM 0 HH22 ARG A 54 11.750 13.339 -1.767 1.00 1.82 H new ATOM 917 N ARG A 55 6.494 7.281 -4.513 1.00 1.37 N ATOM 918 CA ARG A 55 6.334 6.014 -3.753 1.00 1.32 C ATOM 919 C ARG A 55 6.409 6.294 -2.248 1.00 1.31 C ATOM 920 O ARG A 55 7.215 5.744 -1.497 1.00 1.35 O ATOM 921 CB ARG A 55 7.284 4.911 -4.281 1.00 1.37 C ATOM 922 CG ARG A 55 7.342 4.804 -5.820 1.00 1.40 C ATOM 923 CD ARG A 55 5.982 4.569 -6.506 1.00 1.35 C ATOM 924 NE ARG A 55 5.824 5.408 -7.713 1.00 1.40 N ATOM 925 CZ ARG A 55 6.277 5.182 -8.931 1.00 1.46 C ATOM 926 NH1 ARG A 55 6.955 4.115 -9.245 1.00 1.49 N ATOM 927 NH2 ARG A 55 6.047 6.059 -9.862 1.00 1.51 N ATOM 0 H ARG A 55 5.750 7.426 -5.195 1.00 1.37 H new ATOM 0 HA ARG A 55 5.341 5.597 -3.920 1.00 1.32 H new ATOM 0 HB2 ARG A 55 8.289 5.102 -3.904 1.00 1.37 H new ATOM 0 HB3 ARG A 55 6.968 3.951 -3.874 1.00 1.37 H new ATOM 0 HG2 ARG A 55 7.779 5.720 -6.217 1.00 1.40 H new ATOM 0 HG3 ARG A 55 8.013 3.988 -6.088 1.00 1.40 H new ATOM 0 HD2 ARG A 55 5.890 3.518 -6.779 1.00 1.35 H new ATOM 0 HD3 ARG A 55 5.178 4.788 -5.803 1.00 1.35 H new ATOM 0 HE ARG A 55 5.297 6.272 -7.588 1.00 1.40 H new ATOM 0 HH11 ARG A 55 7.156 3.411 -8.535 1.00 1.49 H new ATOM 0 HH12 ARG A 55 7.285 3.983 -10.201 1.00 1.49 H new ATOM 0 HH21 ARG A 55 5.523 6.907 -9.646 1.00 1.51 H new ATOM 0 HH22 ARG A 55 6.390 5.899 -10.809 1.00 1.51 H new ATOM 941 N GLN A 56 5.519 7.207 -1.847 1.00 1.28 N ATOM 942 CA GLN A 56 5.511 7.750 -0.485 1.00 1.29 C ATOM 943 C GLN A 56 4.763 6.844 0.518 1.00 1.24 C ATOM 944 O GLN A 56 4.705 7.177 1.700 1.00 1.25 O ATOM 945 CB GLN A 56 4.951 9.188 -0.491 1.00 1.30 C ATOM 946 CG GLN A 56 5.663 10.141 0.489 1.00 1.37 C ATOM 947 CD GLN A 56 6.905 10.795 -0.119 1.00 1.46 C ATOM 948 OE1 GLN A 56 8.108 10.381 0.220 1.00 1.49 O flip ATOM 949 NE2 GLN A 56 6.817 11.714 -0.921 1.00 1.51 N flip ATOM 0 H GLN A 56 4.790 7.588 -2.451 1.00 1.28 H new ATOM 0 HA GLN A 56 6.544 7.781 -0.137 1.00 1.29 H new ATOM 0 HB2 GLN A 56 5.031 9.594 -1.499 1.00 1.30 H new ATOM 0 HB3 GLN A 56 3.890 9.155 -0.244 1.00 1.30 H new ATOM 0 HG2 GLN A 56 4.966 10.918 0.805 1.00 1.37 H new ATOM 0 HG3 GLN A 56 5.950 9.588 1.383 1.00 1.37 H new ATOM 0 HE21 GLN A 56 5.899 12.058 -1.204 1.00 1.51 H new ATOM 0 HE22 GLN A 56 7.661 12.137 -1.307 1.00 1.51 H new ATOM 958 N TRP A 57 4.227 5.685 0.097 1.00 1.19 N ATOM 959 CA TRP A 57 3.601 4.697 0.994 1.00 1.17 C ATOM 960 C TRP A 57 4.510 4.259 2.146 1.00 1.24 C ATOM 961 O TRP A 57 4.015 4.037 3.247 1.00 1.24 O ATOM 962 CB TRP A 57 3.101 3.467 0.230 1.00 1.15 C ATOM 963 CG TRP A 57 1.907 3.713 -0.625 1.00 1.11 C ATOM 964 CD1 TRP A 57 1.914 3.944 -1.954 1.00 1.11 C ATOM 965 CD2 TRP A 57 0.510 3.761 -0.206 1.00 1.07 C ATOM 966 NE1 TRP A 57 0.620 4.157 -2.380 1.00 1.09 N ATOM 967 CE2 TRP A 57 -0.287 4.074 -1.346 1.00 1.07 C ATOM 968 CE3 TRP A 57 -0.160 3.591 1.023 1.00 1.07 C ATOM 969 CZ2 TRP A 57 -1.677 4.240 -1.264 1.00 1.06 C ATOM 970 CZ3 TRP A 57 -1.552 3.738 1.116 1.00 1.06 C ATOM 971 CH2 TRP A 57 -2.306 4.068 -0.021 1.00 1.06 C ATOM 0 H TRP A 57 4.216 5.405 -0.884 1.00 1.19 H new ATOM 0 HA TRP A 57 2.747 5.214 1.432 1.00 1.17 H new ATOM 0 HB2 TRP A 57 3.910 3.091 -0.397 1.00 1.15 H new ATOM 0 HB3 TRP A 57 2.863 2.682 0.947 1.00 1.15 H new ATOM 0 HD1 TRP A 57 2.792 3.960 -2.583 1.00 1.11 H new ATOM 0 HE1 TRP A 57 0.364 4.353 -3.348 1.00 1.09 H new ATOM 0 HE3 TRP A 57 0.408 3.343 1.908 1.00 1.07 H new ATOM 0 HZ2 TRP A 57 -2.253 4.495 -2.141 1.00 1.06 H new ATOM 0 HZ3 TRP A 57 -2.045 3.597 2.066 1.00 1.06 H new ATOM 0 HH2 TRP A 57 -3.376 4.190 0.061 1.00 1.06 H new ATOM 982 N LYS A 58 5.803 4.282 1.960 1.00 1.32 N ATOM 983 CA LYS A 58 6.693 3.938 3.053 1.00 1.42 C ATOM 984 C LYS A 58 6.582 4.985 4.178 1.00 1.43 C ATOM 985 O LYS A 58 6.832 4.687 5.346 1.00 1.51 O ATOM 986 CB LYS A 58 8.110 3.787 2.530 1.00 1.54 C ATOM 987 CG LYS A 58 8.184 2.733 1.442 1.00 1.98 C ATOM 988 CD LYS A 58 7.471 1.457 1.865 1.00 2.07 C ATOM 989 CE LYS A 58 7.716 0.341 0.877 1.00 2.58 C ATOM 990 NZ LYS A 58 9.162 0.018 0.773 1.00 2.89 N ATOM 0 H LYS A 58 6.263 4.529 1.084 1.00 1.32 H new ATOM 0 HA LYS A 58 6.402 2.980 3.484 1.00 1.42 H new ATOM 0 HB2 LYS A 58 8.460 4.742 2.139 1.00 1.54 H new ATOM 0 HB3 LYS A 58 8.776 3.515 3.349 1.00 1.54 H new ATOM 0 HG2 LYS A 58 7.734 3.118 0.527 1.00 1.98 H new ATOM 0 HG3 LYS A 58 9.227 2.512 1.216 1.00 1.98 H new ATOM 0 HD2 LYS A 58 7.818 1.154 2.853 1.00 2.07 H new ATOM 0 HD3 LYS A 58 6.401 1.645 1.947 1.00 2.07 H new ATOM 0 HE2 LYS A 58 7.164 -0.547 1.185 1.00 2.58 H new ATOM 0 HE3 LYS A 58 7.335 0.630 -0.102 1.00 2.58 H new ATOM 0 HZ1 LYS A 58 9.277 -0.928 0.357 1.00 2.89 H new ATOM 0 HZ2 LYS A 58 9.632 0.721 0.168 1.00 2.89 H new ATOM 0 HZ3 LYS A 58 9.590 0.035 1.721 1.00 2.89 H new ATOM 1004 N HIS A 59 6.221 6.219 3.802 1.00 1.39 N ATOM 1005 CA HIS A 59 6.016 7.308 4.763 1.00 1.40 C ATOM 1006 C HIS A 59 4.642 7.173 5.450 1.00 1.32 C ATOM 1007 O HIS A 59 4.479 7.565 6.603 1.00 1.35 O ATOM 1008 CB HIS A 59 6.204 8.665 4.085 1.00 1.43 C ATOM 1009 CG HIS A 59 7.598 8.845 3.552 1.00 1.58 C ATOM 1010 ND1 HIS A 59 8.267 8.179 2.577 1.00 1.81 N flip ATOM 1011 CD2 HIS A 59 8.484 9.775 4.052 1.00 1.59 C flip ATOM 1012 CE1 HIS A 59 9.530 8.711 2.508 1.00 1.93 C flip ATOM 1013 NE2 HIS A 59 9.636 9.673 3.407 1.00 1.79 N flip ATOM 0 H HIS A 59 6.064 6.488 2.831 1.00 1.39 H new ATOM 0 HA HIS A 59 6.770 7.239 5.547 1.00 1.40 H new ATOM 0 HB2 HIS A 59 5.489 8.763 3.268 1.00 1.43 H new ATOM 0 HB3 HIS A 59 5.984 9.459 4.798 1.00 1.43 H new ATOM 0 HD2 HIS A 59 8.272 10.477 4.845 1.00 1.59 H new ATOM 0 HE1 HIS A 59 10.309 8.395 1.830 1.00 1.93 H new ATOM 0 HE2 HIS A 59 10.466 10.242 3.576 1.00 1.79 H new ATOM 1022 N ILE A 60 3.645 6.665 4.707 1.00 1.23 N ATOM 1023 CA ILE A 60 2.319 6.357 5.263 1.00 1.20 C ATOM 1024 C ILE A 60 2.521 5.272 6.317 1.00 1.27 C ATOM 1025 O ILE A 60 2.030 5.438 7.422 1.00 1.33 O ATOM 1026 CB ILE A 60 1.288 5.966 4.182 1.00 1.15 C ATOM 1027 CG1 ILE A 60 0.927 7.234 3.375 1.00 1.14 C ATOM 1028 CG2 ILE A 60 0.030 5.336 4.814 1.00 1.18 C ATOM 1029 CD1 ILE A 60 0.073 6.969 2.134 1.00 1.14 C ATOM 0 H ILE A 60 3.735 6.458 3.712 1.00 1.23 H new ATOM 0 HA ILE A 60 1.887 7.247 5.720 1.00 1.20 H new ATOM 0 HB ILE A 60 1.718 5.216 3.519 1.00 1.15 H new ATOM 0 HG12 ILE A 60 0.394 7.926 4.027 1.00 1.14 H new ATOM 0 HG13 ILE A 60 1.848 7.730 3.069 1.00 1.14 H new ATOM 0 HG21 ILE A 60 -0.678 5.071 4.029 1.00 1.18 H new ATOM 0 HG22 ILE A 60 0.311 4.440 5.367 1.00 1.18 H new ATOM 0 HG23 ILE A 60 -0.433 6.052 5.493 1.00 1.18 H new ATOM 0 HD11 ILE A 60 -0.134 7.911 1.627 1.00 1.14 H new ATOM 0 HD12 ILE A 60 0.610 6.304 1.458 1.00 1.14 H new ATOM 0 HD13 ILE A 60 -0.866 6.503 2.431 1.00 1.14 H new ATOM 1238 N THR A 77 -0.678 -1.587 0.197 1.00 1.35 N ATOM 1239 CA THR A 77 -1.864 -0.772 0.452 1.00 1.39 C ATOM 1240 C THR A 77 -2.252 0.069 -0.769 1.00 1.34 C ATOM 1241 O THR A 77 -3.419 0.411 -0.941 1.00 1.38 O ATOM 1242 CB THR A 77 -1.645 0.158 1.660 1.00 1.41 C ATOM 1243 OG1 THR A 77 -0.960 -0.547 2.701 1.00 1.48 O ATOM 1244 CG2 THR A 77 -2.970 0.680 2.194 1.00 1.49 C ATOM 0 HA THR A 77 -2.678 -1.463 0.669 1.00 1.39 H new ATOM 0 HB THR A 77 -1.043 1.005 1.330 1.00 1.41 H new ATOM 0 HG1 THR A 77 -0.475 -1.307 2.317 1.00 1.48 H new ATOM 0 HG21 THR A 77 -2.786 1.334 3.046 1.00 1.49 H new ATOM 0 HG22 THR A 77 -3.483 1.239 1.411 1.00 1.49 H new ATOM 0 HG23 THR A 77 -3.592 -0.159 2.507 1.00 1.49 H new ATOM 1252 N ARG A 78 -1.260 0.416 -1.594 1.00 1.27 N ATOM 1253 CA ARG A 78 -1.487 1.212 -2.806 1.00 1.25 C ATOM 1254 C ARG A 78 -2.519 0.555 -3.720 1.00 1.30 C ATOM 1255 O ARG A 78 -3.376 1.219 -4.303 1.00 1.29 O ATOM 1256 CB ARG A 78 -0.168 1.375 -3.570 1.00 1.25 C ATOM 1257 CG ARG A 78 -0.296 2.162 -4.867 1.00 1.33 C ATOM 1258 CD ARG A 78 1.056 2.358 -5.536 1.00 1.40 C ATOM 1259 NE ARG A 78 0.948 3.125 -6.776 1.00 1.56 N ATOM 1260 CZ ARG A 78 1.968 3.343 -7.605 1.00 1.92 C ATOM 1261 NH1 ARG A 78 3.169 2.844 -7.338 1.00 2.01 N ATOM 1262 NH2 ARG A 78 1.786 4.057 -8.707 1.00 2.42 N ATOM 0 H ARG A 78 -0.285 0.156 -1.444 1.00 1.27 H new ATOM 0 HA ARG A 78 -1.869 2.186 -2.501 1.00 1.25 H new ATOM 0 HB2 ARG A 78 0.555 1.874 -2.924 1.00 1.25 H new ATOM 0 HB3 ARG A 78 0.234 0.387 -3.795 1.00 1.25 H new ATOM 0 HG2 ARG A 78 -0.967 1.638 -5.547 1.00 1.33 H new ATOM 0 HG3 ARG A 78 -0.746 3.133 -4.661 1.00 1.33 H new ATOM 0 HD2 ARG A 78 1.729 2.872 -4.850 1.00 1.40 H new ATOM 0 HD3 ARG A 78 1.499 1.385 -5.749 1.00 1.40 H new ATOM 0 HE ARG A 78 0.038 3.516 -7.021 1.00 1.56 H new ATOM 0 HH11 ARG A 78 3.315 2.290 -6.494 1.00 2.01 H new ATOM 0 HH12 ARG A 78 3.946 3.015 -7.977 1.00 2.01 H new ATOM 0 HH21 ARG A 78 0.865 4.440 -8.920 1.00 2.42 H new ATOM 0 HH22 ARG A 78 2.567 4.224 -9.341 1.00 2.42 H new ATOM 1276 N ARG A 79 -2.416 -0.761 -3.817 1.00 1.37 N ATOM 1277 CA ARG A 79 -3.292 -1.573 -4.654 1.00 1.45 C ATOM 1278 C ARG A 79 -4.709 -1.710 -4.085 1.00 1.48 C ATOM 1279 O ARG A 79 -5.662 -1.892 -4.841 1.00 1.54 O ATOM 1280 CB ARG A 79 -2.672 -2.954 -4.932 1.00 1.52 C ATOM 1281 CG ARG A 79 -1.279 -2.862 -5.583 1.00 1.51 C ATOM 1282 CD ARG A 79 -0.715 -4.242 -5.951 1.00 1.59 C ATOM 1283 NE ARG A 79 -1.451 -4.862 -7.073 1.00 1.67 N ATOM 1284 CZ ARG A 79 -1.260 -6.071 -7.570 1.00 1.76 C ATOM 1285 NH1 ARG A 79 -0.360 -6.883 -7.093 1.00 1.79 N ATOM 1286 NH2 ARG A 79 -1.975 -6.493 -8.573 1.00 1.82 N ATOM 0 H ARG A 79 -1.715 -1.303 -3.312 1.00 1.37 H new ATOM 0 HA ARG A 79 -3.390 -1.041 -5.600 1.00 1.45 H new ATOM 0 HB2 ARG A 79 -2.595 -3.508 -3.996 1.00 1.52 H new ATOM 0 HB3 ARG A 79 -3.336 -3.521 -5.584 1.00 1.52 H new ATOM 0 HG2 ARG A 79 -1.340 -2.246 -6.480 1.00 1.51 H new ATOM 0 HG3 ARG A 79 -0.593 -2.362 -4.899 1.00 1.51 H new ATOM 0 HD2 ARG A 79 0.337 -4.144 -6.218 1.00 1.59 H new ATOM 0 HD3 ARG A 79 -0.763 -4.897 -5.081 1.00 1.59 H new ATOM 0 HE ARG A 79 -2.181 -4.298 -7.508 1.00 1.67 H new ATOM 0 HH11 ARG A 79 0.226 -6.592 -6.310 1.00 1.79 H new ATOM 0 HH12 ARG A 79 -0.241 -7.810 -7.502 1.00 1.79 H new ATOM 0 HH21 ARG A 79 -2.689 -5.889 -8.981 1.00 1.82 H new ATOM 0 HH22 ARG A 79 -1.822 -7.428 -8.951 1.00 1.82 H new ATOM 1300 N HIS A 80 -4.857 -1.577 -2.765 1.00 1.47 N ATOM 1301 CA HIS A 80 -6.151 -1.465 -2.094 1.00 1.50 C ATOM 1302 C HIS A 80 -6.741 -0.058 -2.286 1.00 1.44 C ATOM 1303 O HIS A 80 -7.862 0.068 -2.772 1.00 1.48 O ATOM 1304 CB HIS A 80 -5.993 -1.852 -0.613 1.00 1.52 C ATOM 1305 CG HIS A 80 -5.395 -3.229 -0.408 1.00 1.60 C ATOM 1306 ND1 HIS A 80 -4.559 -3.608 0.620 1.00 1.62 N ATOM 1307 CD2 HIS A 80 -5.576 -4.339 -1.199 1.00 1.68 C ATOM 1308 CE1 HIS A 80 -4.246 -4.906 0.453 1.00 1.70 C ATOM 1309 NE2 HIS A 80 -4.841 -5.396 -0.646 1.00 1.74 N ATOM 0 H HIS A 80 -4.066 -1.544 -2.122 1.00 1.47 H new ATOM 0 HA HIS A 80 -6.864 -2.158 -2.541 1.00 1.50 H new ATOM 0 HB2 HIS A 80 -5.362 -1.113 -0.118 1.00 1.52 H new ATOM 0 HB3 HIS A 80 -6.969 -1.813 -0.129 1.00 1.52 H new ATOM 0 HD2 HIS A 80 -6.181 -4.388 -2.093 1.00 1.68 H new ATOM 0 HE1 HIS A 80 -3.606 -5.474 1.111 1.00 1.70 H new ATOM 0 HE2 HIS A 80 -4.772 -6.348 -1.006 1.00 1.74 H new ATOM 1318 N TYR A 81 -5.975 1.009 -2.013 1.00 1.35 N ATOM 1319 CA TYR A 81 -6.432 2.404 -2.134 1.00 1.29 C ATOM 1320 C TYR A 81 -6.965 2.741 -3.534 1.00 1.32 C ATOM 1321 O TYR A 81 -7.984 3.428 -3.655 1.00 1.34 O ATOM 1322 CB TYR A 81 -5.276 3.343 -1.742 1.00 1.21 C ATOM 1323 CG TYR A 81 -5.633 4.820 -1.583 1.00 1.16 C ATOM 1324 CD1 TYR A 81 -5.892 5.623 -2.714 1.00 1.16 C ATOM 1325 CD2 TYR A 81 -5.649 5.408 -0.302 1.00 1.14 C ATOM 1326 CE1 TYR A 81 -6.185 6.993 -2.566 1.00 1.14 C ATOM 1327 CE2 TYR A 81 -5.870 6.792 -0.158 1.00 1.12 C ATOM 1328 CZ TYR A 81 -6.154 7.591 -1.286 1.00 1.12 C ATOM 1329 OH TYR A 81 -6.430 8.914 -1.127 1.00 1.11 O ATOM 0 H TYR A 81 -5.008 0.928 -1.698 1.00 1.35 H new ATOM 0 HA TYR A 81 -7.274 2.543 -1.456 1.00 1.29 H new ATOM 0 HB2 TYR A 81 -4.851 2.990 -0.802 1.00 1.21 H new ATOM 0 HB3 TYR A 81 -4.494 3.258 -2.497 1.00 1.21 H new ATOM 0 HD1 TYR A 81 -5.865 5.184 -3.700 1.00 1.16 H new ATOM 0 HD2 TYR A 81 -5.491 4.795 0.573 1.00 1.14 H new ATOM 0 HE1 TYR A 81 -6.434 7.588 -3.433 1.00 1.14 H new ATOM 0 HE2 TYR A 81 -5.822 7.244 0.822 1.00 1.12 H new ATOM 0 HH TYR A 81 -6.685 9.301 -1.990 1.00 1.11 H new ATOM 1339 N GLU A 82 -6.346 2.210 -4.601 1.00 1.34 N ATOM 1340 CA GLU A 82 -6.724 2.499 -5.984 1.00 1.39 C ATOM 1341 C GLU A 82 -8.069 1.874 -6.385 1.00 1.50 C ATOM 1342 O GLU A 82 -8.568 2.142 -7.481 1.00 1.56 O ATOM 1343 CB GLU A 82 -5.593 2.160 -6.967 1.00 1.40 C ATOM 1344 CG GLU A 82 -5.405 0.669 -7.232 1.00 1.46 C ATOM 1345 CD GLU A 82 -4.471 0.432 -8.431 1.00 1.49 C ATOM 1346 OE1 GLU A 82 -4.933 0.604 -9.588 1.00 1.56 O ATOM 1347 OE2 GLU A 82 -3.292 0.051 -8.230 1.00 1.46 O ATOM 0 H GLU A 82 -5.562 1.562 -4.521 1.00 1.34 H new ATOM 0 HA GLU A 82 -6.880 3.576 -6.042 1.00 1.39 H new ATOM 0 HB2 GLU A 82 -5.791 2.662 -7.914 1.00 1.40 H new ATOM 0 HB3 GLU A 82 -4.659 2.567 -6.580 1.00 1.40 H new ATOM 0 HG2 GLU A 82 -4.992 0.188 -6.345 1.00 1.46 H new ATOM 0 HG3 GLU A 82 -6.373 0.206 -7.424 1.00 1.46 H new ATOM 1354 N ARG A 83 -8.662 1.058 -5.496 1.00 1.53 N ATOM 1355 CA ARG A 83 -10.040 0.574 -5.655 1.00 1.64 C ATOM 1356 C ARG A 83 -10.952 0.871 -4.458 1.00 1.64 C ATOM 1357 O ARG A 83 -12.157 0.654 -4.567 1.00 1.73 O ATOM 1358 CB ARG A 83 -10.046 -0.937 -5.968 1.00 1.73 C ATOM 1359 CG ARG A 83 -9.347 -1.339 -7.274 1.00 1.75 C ATOM 1360 CD ARG A 83 -10.030 -0.762 -8.526 1.00 1.81 C ATOM 1361 NE ARG A 83 -9.291 -1.138 -9.747 1.00 1.84 N ATOM 1362 CZ ARG A 83 -8.179 -0.576 -10.194 1.00 1.78 C ATOM 1363 NH1 ARG A 83 -7.703 0.528 -9.703 1.00 1.68 N ATOM 1364 NH2 ARG A 83 -7.489 -1.130 -11.149 1.00 1.82 N ATOM 0 H ARG A 83 -8.200 0.718 -4.652 1.00 1.53 H new ATOM 0 HA ARG A 83 -10.455 1.132 -6.494 1.00 1.64 H new ATOM 0 HB2 ARG A 83 -9.568 -1.464 -5.142 1.00 1.73 H new ATOM 0 HB3 ARG A 83 -11.080 -1.279 -6.009 1.00 1.73 H new ATOM 0 HG2 ARG A 83 -8.311 -1.001 -7.244 1.00 1.75 H new ATOM 0 HG3 ARG A 83 -9.325 -2.426 -7.348 1.00 1.75 H new ATOM 0 HD2 ARG A 83 -11.055 -1.129 -8.588 1.00 1.81 H new ATOM 0 HD3 ARG A 83 -10.084 0.324 -8.448 1.00 1.81 H new ATOM 0 HE ARG A 83 -9.674 -1.905 -10.300 1.00 1.84 H new ATOM 0 HH11 ARG A 83 -8.190 0.999 -8.940 1.00 1.68 H new ATOM 0 HH12 ARG A 83 -6.842 0.924 -10.080 1.00 1.68 H new ATOM 0 HH21 ARG A 83 -7.804 -2.008 -11.562 1.00 1.82 H new ATOM 0 HH22 ARG A 83 -6.634 -0.686 -11.484 1.00 1.82 H new ATOM 1378 N LEU A 84 -10.408 1.390 -3.351 1.00 1.56 N ATOM 1379 CA LEU A 84 -11.145 1.489 -2.089 1.00 1.57 C ATOM 1380 C LEU A 84 -11.370 2.944 -1.642 1.00 1.51 C ATOM 1381 O LEU A 84 -12.152 3.185 -0.731 1.00 1.54 O ATOM 1382 CB LEU A 84 -10.348 0.664 -1.065 1.00 1.56 C ATOM 1383 CG LEU A 84 -11.011 0.452 0.298 1.00 1.61 C ATOM 1384 CD1 LEU A 84 -12.341 -0.286 0.197 1.00 1.73 C ATOM 1385 CD2 LEU A 84 -10.083 -0.369 1.190 1.00 1.61 C ATOM 0 H LEU A 84 -9.454 1.749 -3.306 1.00 1.56 H new ATOM 0 HA LEU A 84 -12.155 1.095 -2.199 1.00 1.57 H new ATOM 0 HB2 LEU A 84 -10.140 -0.314 -1.500 1.00 1.56 H new ATOM 0 HB3 LEU A 84 -9.387 1.153 -0.906 1.00 1.56 H new ATOM 0 HG LEU A 84 -11.200 1.441 0.715 1.00 1.61 H new ATOM 0 HD11 LEU A 84 -12.766 -0.408 1.193 1.00 1.73 H new ATOM 0 HD12 LEU A 84 -13.029 0.288 -0.423 1.00 1.73 H new ATOM 0 HD13 LEU A 84 -12.180 -1.266 -0.252 1.00 1.73 H new ATOM 0 HD21 LEU A 84 -10.553 -0.521 2.162 1.00 1.61 H new ATOM 0 HD22 LEU A 84 -9.892 -1.336 0.724 1.00 1.61 H new ATOM 0 HD23 LEU A 84 -9.141 0.163 1.322 1.00 1.61 H new ATOM 1397 N ILE A 85 -10.718 3.913 -2.296 1.00 1.44 N ATOM 1398 CA ILE A 85 -11.057 5.339 -2.120 1.00 1.41 C ATOM 1399 C ILE A 85 -10.616 6.230 -3.279 1.00 1.39 C ATOM 1400 O ILE A 85 -11.257 7.251 -3.491 1.00 1.42 O ATOM 1401 CB ILE A 85 -10.580 5.880 -0.760 1.00 1.35 C ATOM 1402 CG1 ILE A 85 -11.199 7.273 -0.490 1.00 1.35 C ATOM 1403 CG2 ILE A 85 -9.053 5.911 -0.655 1.00 1.26 C ATOM 1404 CD1 ILE A 85 -11.283 7.636 0.993 1.00 1.33 C ATOM 0 H ILE A 85 -9.955 3.741 -2.951 1.00 1.44 H new ATOM 0 HA ILE A 85 -12.146 5.380 -2.127 1.00 1.41 H new ATOM 0 HB ILE A 85 -10.927 5.194 0.013 1.00 1.35 H new ATOM 0 HG12 ILE A 85 -10.607 8.029 -1.006 1.00 1.35 H new ATOM 0 HG13 ILE A 85 -12.201 7.304 -0.919 1.00 1.35 H new ATOM 0 HG21 ILE A 85 -8.763 6.300 0.321 1.00 1.26 H new ATOM 0 HG22 ILE A 85 -8.659 4.902 -0.775 1.00 1.26 H new ATOM 0 HG23 ILE A 85 -8.648 6.554 -1.436 1.00 1.26 H new ATOM 0 HD11 ILE A 85 -11.727 8.626 1.101 1.00 1.33 H new ATOM 0 HD12 ILE A 85 -11.900 6.903 1.513 1.00 1.33 H new ATOM 0 HD13 ILE A 85 -10.282 7.639 1.424 1.00 1.33 H new ATOM 1416 N LEU A 86 -9.637 5.841 -4.104 1.00 1.37 N ATOM 1417 CA LEU A 86 -9.360 6.529 -5.372 1.00 1.39 C ATOM 1418 C LEU A 86 -10.632 6.768 -6.233 1.00 1.49 C ATOM 1419 O LEU A 86 -10.778 7.879 -6.755 1.00 1.52 O ATOM 1420 CB LEU A 86 -8.270 5.752 -6.125 1.00 1.37 C ATOM 1421 CG LEU A 86 -7.824 6.344 -7.474 1.00 1.41 C ATOM 1422 CD1 LEU A 86 -7.304 7.778 -7.345 1.00 1.37 C ATOM 1423 CD2 LEU A 86 -6.717 5.492 -8.087 1.00 1.40 C ATOM 0 H LEU A 86 -9.021 5.050 -3.916 1.00 1.37 H new ATOM 0 HA LEU A 86 -8.997 7.533 -5.151 1.00 1.39 H new ATOM 0 HB2 LEU A 86 -7.396 5.675 -5.479 1.00 1.37 H new ATOM 0 HB3 LEU A 86 -8.629 4.738 -6.298 1.00 1.37 H new ATOM 0 HG LEU A 86 -8.708 6.351 -8.111 1.00 1.41 H new ATOM 0 HD11 LEU A 86 -7.003 8.146 -8.326 1.00 1.37 H new ATOM 0 HD12 LEU A 86 -8.092 8.416 -6.944 1.00 1.37 H new ATOM 0 HD13 LEU A 86 -6.446 7.795 -6.673 1.00 1.37 H new ATOM 0 HD21 LEU A 86 -6.412 5.923 -9.041 1.00 1.40 H new ATOM 0 HD22 LEU A 86 -5.862 5.465 -7.411 1.00 1.40 H new ATOM 0 HD23 LEU A 86 -7.085 4.479 -8.248 1.00 1.40 H new ATOM 1435 N PRO A 87 -11.596 5.820 -6.349 1.00 1.58 N ATOM 1436 CA PRO A 87 -12.874 6.086 -7.021 1.00 1.69 C ATOM 1437 C PRO A 87 -13.865 6.967 -6.231 1.00 1.71 C ATOM 1438 O PRO A 87 -14.802 7.479 -6.851 1.00 1.80 O ATOM 1439 CB PRO A 87 -13.478 4.708 -7.320 1.00 1.78 C ATOM 1440 CG PRO A 87 -12.896 3.818 -6.229 1.00 1.71 C ATOM 1441 CD PRO A 87 -11.493 4.390 -6.054 1.00 1.59 C ATOM 0 HA PRO A 87 -12.683 6.675 -7.918 1.00 1.69 H new ATOM 0 HB2 PRO A 87 -14.567 4.730 -7.281 1.00 1.78 H new ATOM 0 HB3 PRO A 87 -13.202 4.356 -8.314 1.00 1.78 H new ATOM 0 HG2 PRO A 87 -13.475 3.874 -5.307 1.00 1.71 H new ATOM 0 HG3 PRO A 87 -12.873 2.770 -6.529 1.00 1.71 H new ATOM 0 HD2 PRO A 87 -11.130 4.227 -5.039 1.00 1.59 H new ATOM 0 HD3 PRO A 87 -10.787 3.903 -6.727 1.00 1.59 H new ATOM 1449 N TYR A 88 -13.694 7.177 -4.913 1.00 1.63 N ATOM 1450 CA TYR A 88 -14.647 7.957 -4.099 1.00 1.66 C ATOM 1451 C TYR A 88 -14.130 9.342 -3.671 1.00 1.59 C ATOM 1452 O TYR A 88 -14.921 10.281 -3.638 1.00 1.64 O ATOM 1453 CB TYR A 88 -15.192 7.108 -2.933 1.00 1.68 C ATOM 1454 CG TYR A 88 -16.615 6.591 -3.138 1.00 1.80 C ATOM 1455 CD1 TYR A 88 -17.040 6.098 -4.392 1.00 1.89 C ATOM 1456 CD2 TYR A 88 -17.528 6.606 -2.063 1.00 1.84 C ATOM 1457 CE1 TYR A 88 -18.359 5.632 -4.568 1.00 2.01 C ATOM 1458 CE2 TYR A 88 -18.850 6.150 -2.236 1.00 1.97 C ATOM 1459 CZ TYR A 88 -19.269 5.658 -3.491 1.00 2.05 C ATOM 1460 OH TYR A 88 -20.542 5.206 -3.668 1.00 2.17 O ATOM 0 H TYR A 88 -12.900 6.815 -4.385 1.00 1.63 H new ATOM 0 HA TYR A 88 -15.490 8.197 -4.747 1.00 1.66 H new ATOM 0 HB2 TYR A 88 -14.528 6.257 -2.778 1.00 1.68 H new ATOM 0 HB3 TYR A 88 -15.163 7.705 -2.021 1.00 1.68 H new ATOM 0 HD1 TYR A 88 -16.349 6.078 -5.222 1.00 1.89 H new ATOM 0 HD2 TYR A 88 -17.211 6.971 -1.097 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -18.673 5.254 -5.530 1.00 2.01 H new ATOM 0 HE2 TYR A 88 -19.543 6.177 -1.408 1.00 1.97 H new ATOM 0 HH TYR A 88 -21.039 5.292 -2.828 1.00 2.17 H new ATOM 1470 N GLU A 89 -12.819 9.566 -3.494 1.00 1.50 N ATOM 1471 CA GLU A 89 -12.268 10.932 -3.349 1.00 1.46 C ATOM 1472 C GLU A 89 -12.606 11.830 -4.568 1.00 1.53 C ATOM 1473 O GLU A 89 -12.556 13.055 -4.482 1.00 1.55 O ATOM 1474 CB GLU A 89 -10.752 10.931 -3.055 1.00 1.36 C ATOM 1475 CG GLU A 89 -9.856 10.478 -4.223 1.00 1.35 C ATOM 1476 CD GLU A 89 -8.371 10.801 -3.960 1.00 1.27 C ATOM 1477 OE1 GLU A 89 -7.708 10.074 -3.184 1.00 1.21 O ATOM 1478 OE2 GLU A 89 -7.856 11.786 -4.551 1.00 1.29 O ATOM 0 H GLU A 89 -12.119 8.825 -3.447 1.00 1.50 H new ATOM 0 HA GLU A 89 -12.760 11.365 -2.478 1.00 1.46 H new ATOM 0 HB2 GLU A 89 -10.455 11.937 -2.760 1.00 1.36 H new ATOM 0 HB3 GLU A 89 -10.565 10.280 -2.201 1.00 1.36 H new ATOM 0 HG2 GLU A 89 -9.974 9.405 -4.377 1.00 1.35 H new ATOM 0 HG3 GLU A 89 -10.178 10.969 -5.141 1.00 1.35 H new ATOM 1485 N ARG A 90 -13.042 11.190 -5.664 1.00 1.61 N ATOM 1486 CA ARG A 90 -13.616 11.886 -6.823 1.00 1.71 C ATOM 1487 C ARG A 90 -14.749 12.866 -6.464 1.00 1.78 C ATOM 1488 O ARG A 90 -14.817 13.928 -7.082 1.00 1.83 O ATOM 1489 CB ARG A 90 -14.059 10.824 -7.847 1.00 1.78 C ATOM 1490 CG ARG A 90 -14.395 11.420 -9.221 1.00 1.89 C ATOM 1491 CD ARG A 90 -14.665 10.304 -10.238 1.00 1.97 C ATOM 1492 NE ARG A 90 -14.948 10.852 -11.577 1.00 2.08 N ATOM 1493 CZ ARG A 90 -15.026 10.172 -12.708 1.00 2.16 C ATOM 1494 NH1 ARG A 90 -14.870 8.878 -12.756 1.00 2.15 N ATOM 1495 NH2 ARG A 90 -15.267 10.787 -13.831 1.00 2.25 N ATOM 0 H ARG A 90 -13.006 10.176 -5.770 1.00 1.61 H new ATOM 0 HA ARG A 90 -12.848 12.526 -7.257 1.00 1.71 H new ATOM 0 HB2 ARG A 90 -13.266 10.085 -7.962 1.00 1.78 H new ATOM 0 HB3 ARG A 90 -14.932 10.298 -7.462 1.00 1.78 H new ATOM 0 HG2 ARG A 90 -15.269 12.066 -9.140 1.00 1.89 H new ATOM 0 HG3 ARG A 90 -13.569 12.043 -9.566 1.00 1.89 H new ATOM 0 HD2 ARG A 90 -13.802 9.641 -10.290 1.00 1.97 H new ATOM 0 HD3 ARG A 90 -15.510 9.702 -9.904 1.00 1.97 H new ATOM 0 HE ARG A 90 -15.099 11.859 -11.637 1.00 2.08 H new ATOM 0 HH11 ARG A 90 -14.680 8.355 -11.901 1.00 2.15 H new ATOM 0 HH12 ARG A 90 -14.938 8.389 -13.649 1.00 2.15 H new ATOM 0 HH21 ARG A 90 -15.397 11.799 -13.841 1.00 2.25 H new ATOM 0 HH22 ARG A 90 -15.326 10.257 -14.700 1.00 2.25 H new ATOM 1509 N PHE A 91 -15.588 12.589 -5.453 1.00 1.78 N ATOM 1510 CA PHE A 91 -16.575 13.582 -4.975 1.00 1.84 C ATOM 1511 C PHE A 91 -15.939 14.706 -4.132 1.00 1.78 C ATOM 1512 O PHE A 91 -16.423 15.837 -4.157 1.00 1.84 O ATOM 1513 CB PHE A 91 -17.772 12.925 -4.255 1.00 1.89 C ATOM 1514 CG PHE A 91 -17.531 12.298 -2.887 1.00 1.82 C ATOM 1515 CD1 PHE A 91 -17.313 13.103 -1.748 1.00 1.77 C ATOM 1516 CD2 PHE A 91 -17.578 10.898 -2.734 1.00 1.81 C ATOM 1517 CE1 PHE A 91 -17.043 12.511 -0.501 1.00 1.71 C ATOM 1518 CE2 PHE A 91 -17.298 10.309 -1.492 1.00 1.76 C ATOM 1519 CZ PHE A 91 -17.000 11.114 -0.385 1.00 1.70 C ATOM 0 H PHE A 91 -15.607 11.700 -4.954 1.00 1.78 H new ATOM 0 HA PHE A 91 -16.970 14.060 -5.871 1.00 1.84 H new ATOM 0 HB2 PHE A 91 -18.549 13.681 -4.143 1.00 1.89 H new ATOM 0 HB3 PHE A 91 -18.172 12.151 -4.911 1.00 1.89 H new ATOM 0 HD1 PHE A 91 -17.354 14.179 -1.835 1.00 1.77 H new ATOM 0 HD2 PHE A 91 -17.831 10.274 -3.579 1.00 1.81 H new ATOM 0 HE1 PHE A 91 -16.869 13.131 0.366 1.00 1.71 H new ATOM 0 HE2 PHE A 91 -17.312 9.234 -1.389 1.00 1.76 H new ATOM 0 HZ PHE A 91 -16.737 10.659 0.558 1.00 1.70 H new ATOM 1529 N ILE A 92 -14.827 14.433 -3.437 1.00 1.67 N ATOM 1530 CA ILE A 92 -14.136 15.450 -2.616 1.00 1.62 C ATOM 1531 C ILE A 92 -13.383 16.427 -3.529 1.00 1.64 C ATOM 1532 O ILE A 92 -13.427 17.640 -3.341 1.00 1.69 O ATOM 1533 CB ILE A 92 -13.164 14.778 -1.610 1.00 1.52 C ATOM 1534 CG1 ILE A 92 -13.886 13.711 -0.753 1.00 1.51 C ATOM 1535 CG2 ILE A 92 -12.511 15.840 -0.704 1.00 1.49 C ATOM 1536 CD1 ILE A 92 -12.978 12.908 0.187 1.00 1.43 C ATOM 0 H ILE A 92 -14.382 13.515 -3.424 1.00 1.67 H new ATOM 0 HA ILE A 92 -14.879 16.004 -2.042 1.00 1.62 H new ATOM 0 HB ILE A 92 -12.386 14.275 -2.184 1.00 1.52 H new ATOM 0 HG12 ILE A 92 -14.654 14.205 -0.157 1.00 1.51 H new ATOM 0 HG13 ILE A 92 -14.397 13.017 -1.420 1.00 1.51 H new ATOM 0 HG21 ILE A 92 -11.832 15.353 -0.004 1.00 1.49 H new ATOM 0 HG22 ILE A 92 -11.954 16.548 -1.317 1.00 1.49 H new ATOM 0 HG23 ILE A 92 -13.285 16.371 -0.149 1.00 1.49 H new ATOM 0 HD11 ILE A 92 -13.577 12.187 0.743 1.00 1.43 H new ATOM 0 HD12 ILE A 92 -12.225 12.380 -0.398 1.00 1.43 H new ATOM 0 HD13 ILE A 92 -12.486 13.586 0.884 1.00 1.43 H new ATOM 1548 N LYS A 93 -12.744 15.883 -4.565 1.00 1.63 N ATOM 1549 CA LYS A 93 -11.851 16.643 -5.450 1.00 1.66 C ATOM 1550 C LYS A 93 -12.563 17.202 -6.691 1.00 1.78 C ATOM 1551 O LYS A 93 -11.965 17.947 -7.468 1.00 1.82 O ATOM 1552 CB LYS A 93 -10.700 15.687 -5.797 1.00 1.58 C ATOM 1553 CG LYS A 93 -9.428 16.394 -6.277 1.00 1.58 C ATOM 1554 CD LYS A 93 -8.220 15.461 -6.143 1.00 1.49 C ATOM 1555 CE LYS A 93 -8.334 14.225 -7.045 1.00 1.50 C ATOM 1556 NZ LYS A 93 -7.215 13.290 -6.799 1.00 1.41 N ATOM 0 H LYS A 93 -12.829 14.899 -4.818 1.00 1.63 H new ATOM 0 HA LYS A 93 -11.479 17.539 -4.952 1.00 1.66 H new ATOM 0 HB2 LYS A 93 -10.461 15.088 -4.918 1.00 1.58 H new ATOM 0 HB3 LYS A 93 -11.035 14.997 -6.572 1.00 1.58 H new ATOM 0 HG2 LYS A 93 -9.545 16.702 -7.316 1.00 1.58 H new ATOM 0 HG3 LYS A 93 -9.264 17.299 -5.692 1.00 1.58 H new ATOM 0 HD2 LYS A 93 -7.312 16.009 -6.394 1.00 1.49 H new ATOM 0 HD3 LYS A 93 -8.123 15.143 -5.105 1.00 1.49 H new ATOM 0 HE2 LYS A 93 -9.282 13.721 -6.860 1.00 1.50 H new ATOM 0 HE3 LYS A 93 -8.334 14.531 -8.091 1.00 1.50 H new ATOM 0 HZ1 LYS A 93 -7.087 12.676 -7.628 1.00 1.41 H new ATOM 0 HZ2 LYS A 93 -6.342 13.830 -6.630 1.00 1.41 H new ATOM 0 HZ3 LYS A 93 -7.427 12.706 -5.965 1.00 1.41 H new ATOM 1570 N GLY A 94 -13.848 16.866 -6.842 1.00 1.84 N ATOM 1571 CA GLY A 94 -14.674 17.331 -7.960 1.00 1.97 C ATOM 1572 C GLY A 94 -15.905 18.139 -7.533 1.00 2.05 C ATOM 1573 O GLY A 94 -16.443 18.874 -8.359 1.00 2.15 O ATOM 0 H GLY A 94 -14.346 16.261 -6.189 1.00 1.84 H new ATOM 0 HA2 GLY A 94 -14.061 17.944 -8.621 1.00 1.97 H new ATOM 0 HA3 GLY A 94 -15.002 16.468 -8.539 1.00 1.97 H new ATOM 1577 N GLU A 95 -16.337 18.052 -6.265 1.00 2.00 N ATOM 1578 CA GLU A 95 -17.557 18.719 -5.763 1.00 2.08 C ATOM 1579 C GLU A 95 -17.431 19.283 -4.329 1.00 2.02 C ATOM 1580 O GLU A 95 -18.433 19.510 -3.646 1.00 2.07 O ATOM 1581 CB GLU A 95 -18.781 17.782 -5.891 1.00 2.13 C ATOM 1582 CG GLU A 95 -19.082 17.304 -7.319 1.00 2.21 C ATOM 1583 CD GLU A 95 -20.399 16.507 -7.368 1.00 2.29 C ATOM 1584 OE1 GLU A 95 -21.479 17.116 -7.571 1.00 2.40 O ATOM 1585 OE2 GLU A 95 -20.367 15.261 -7.219 1.00 2.26 O ATOM 0 H GLU A 95 -15.848 17.513 -5.550 1.00 2.00 H new ATOM 0 HA GLU A 95 -17.703 19.592 -6.400 1.00 2.08 H new ATOM 0 HB2 GLU A 95 -18.620 16.910 -5.258 1.00 2.13 H new ATOM 0 HB3 GLU A 95 -19.659 18.300 -5.504 1.00 2.13 H new ATOM 0 HG2 GLU A 95 -19.147 18.162 -7.988 1.00 2.21 H new ATOM 0 HG3 GLU A 95 -18.262 16.682 -7.678 1.00 2.21 H new ATOM 1592 N GLU A 96 -16.204 19.551 -3.866 1.00 1.94 N ATOM 1593 CA GLU A 96 -15.946 20.205 -2.569 1.00 1.90 C ATOM 1594 C GLU A 96 -14.632 21.016 -2.508 1.00 1.87 C ATOM 1595 O GLU A 96 -14.642 22.161 -2.054 1.00 1.92 O ATOM 1596 CB GLU A 96 -15.990 19.158 -1.434 1.00 1.82 C ATOM 1597 CG GLU A 96 -16.016 19.809 -0.047 1.00 1.81 C ATOM 1598 CD GLU A 96 -16.218 18.755 1.061 1.00 1.76 C ATOM 1599 OE1 GLU A 96 -17.386 18.456 1.413 1.00 1.81 O ATOM 1600 OE2 GLU A 96 -15.214 18.235 1.602 1.00 1.68 O ATOM 0 H GLU A 96 -15.354 19.320 -4.381 1.00 1.94 H new ATOM 0 HA GLU A 96 -16.742 20.939 -2.440 1.00 1.90 H new ATOM 0 HB2 GLU A 96 -16.873 18.530 -1.555 1.00 1.82 H new ATOM 0 HB3 GLU A 96 -15.121 18.505 -1.511 1.00 1.82 H new ATOM 0 HG2 GLU A 96 -15.082 20.345 0.123 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -16.819 20.545 -0.003 1.00 1.81 H new ATOM 1607 N ASP A 97 -13.502 20.401 -2.872 1.00 1.80 N ATOM 1608 CA ASP A 97 -12.201 21.089 -2.824 1.00 1.78 C ATOM 1609 C ASP A 97 -11.055 20.160 -3.220 1.00 1.87 C ATOM 1610 O ASP A 97 -11.063 18.972 -2.899 1.00 2.33 O ATOM 1611 CB ASP A 97 -11.927 21.625 -1.410 1.00 1.78 C ATOM 1612 CG ASP A 97 -10.825 22.667 -1.377 1.00 2.14 C ATOM 1613 OD1 ASP A 97 -11.078 23.812 -1.809 1.00 2.70 O ATOM 1614 OD2 ASP A 97 -9.710 22.338 -0.921 1.00 2.20 O ATOM 0 H ASP A 97 -13.458 19.436 -3.201 1.00 1.80 H new ATOM 0 HA ASP A 97 -12.252 21.913 -3.536 1.00 1.78 H new ATOM 0 HB2 ASP A 97 -12.842 22.059 -1.008 1.00 1.78 H new ATOM 0 HB3 ASP A 97 -11.655 20.795 -0.759 1.00 1.78 H new