USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 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 Single : A 1 MET CE :methyl 175:sc= -1.54 (180deg=-1.59) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -128:sc= -0.181 (180deg=-2.86!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.784 (180deg=0.784) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=-0.00267 (180deg=-0.148) USER MOD Single : A 22 MET CE :methyl -160:sc= -0.05 (180deg=-0.461) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.84 F(o=-2.6,f=-1.8) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 47 THR OG1 : rot -76:sc= 1.05 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0428) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc=-0.00309 (180deg=-0.0382) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0492) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 74 TYR OH : rot 45:sc= 0.557 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.188 13.753 6.468 1.00 0.00 N ATOM 2 CA MET A 1 -3.851 12.492 6.049 1.00 52.33 C ATOM 3 C MET A 1 -2.822 11.414 5.676 1.00 73.12 C ATOM 4 O MET A 1 -2.191 11.480 4.620 1.00 13.53 O ATOM 5 CB MET A 1 -4.790 12.755 4.864 1.00 42.54 C ATOM 6 CG MET A 1 -5.440 11.494 4.303 1.00 22.12 C ATOM 7 SD MET A 1 -6.575 11.828 2.938 1.00 45.42 S ATOM 8 CE MET A 1 -5.581 12.909 1.907 1.00 33.03 C ATOM 0 H1 MET A 1 -3.910 14.460 6.713 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.587 13.570 7.297 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.602 14.113 5.688 1.00 0.00 H new ATOM 0 HA MET A 1 -4.433 12.124 6.894 1.00 52.33 H new ATOM 0 HB2 MET A 1 -5.572 13.447 5.178 1.00 42.54 H new ATOM 0 HB3 MET A 1 -4.229 13.248 4.070 1.00 42.54 H new ATOM 0 HG2 MET A 1 -4.661 10.812 3.961 1.00 22.12 H new ATOM 0 HG3 MET A 1 -5.981 10.986 5.101 1.00 22.12 H new ATOM 0 HE1 MET A 1 -6.118 13.126 0.983 1.00 33.03 H new ATOM 0 HE2 MET A 1 -5.384 13.840 2.439 1.00 33.03 H new ATOM 0 HE3 MET A 1 -4.636 12.419 1.671 1.00 33.03 H new ATOM 20 N GLU A 2 -2.642 10.431 6.552 1.00 41.03 N ATOM 21 CA GLU A 2 -1.784 9.277 6.257 1.00 3.32 C ATOM 22 C GLU A 2 -2.565 8.201 5.481 1.00 53.04 C ATOM 23 O GLU A 2 -3.788 8.289 5.342 1.00 44.23 O ATOM 24 CB GLU A 2 -1.223 8.689 7.559 1.00 60.14 C ATOM 25 CG GLU A 2 -0.445 9.696 8.398 1.00 24.24 C ATOM 26 CD GLU A 2 0.013 9.127 9.733 1.00 64.25 C ATOM 27 OE1 GLU A 2 1.048 8.433 9.764 1.00 32.22 O ATOM 28 OE2 GLU A 2 -0.653 9.383 10.759 1.00 54.33 O ATOM 0 H GLU A 2 -3.077 10.406 7.474 1.00 41.03 H new ATOM 0 HA GLU A 2 -0.955 9.615 5.635 1.00 3.32 H new ATOM 0 HB2 GLU A 2 -2.046 8.293 8.153 1.00 60.14 H new ATOM 0 HB3 GLU A 2 -0.571 7.849 7.317 1.00 60.14 H new ATOM 0 HG2 GLU A 2 0.425 10.035 7.836 1.00 24.24 H new ATOM 0 HG3 GLU A 2 -1.069 10.571 8.577 1.00 24.24 H new ATOM 35 N MET A 3 -1.859 7.200 4.964 1.00 65.14 N ATOM 36 CA MET A 3 -2.504 6.122 4.202 1.00 32.23 C ATOM 37 C MET A 3 -2.119 4.736 4.746 1.00 24.54 C ATOM 38 O MET A 3 -0.991 4.279 4.560 1.00 24.15 O ATOM 39 CB MET A 3 -2.133 6.243 2.714 1.00 31.01 C ATOM 40 CG MET A 3 -2.832 5.232 1.812 1.00 10.52 C ATOM 41 SD MET A 3 -2.694 5.655 0.062 1.00 64.04 S ATOM 42 CE MET A 3 -3.756 4.414 -0.680 1.00 51.42 C ATOM 0 H MET A 3 -0.847 7.108 5.055 1.00 65.14 H new ATOM 0 HA MET A 3 -3.584 6.225 4.312 1.00 32.23 H new ATOM 0 HB2 MET A 3 -2.376 7.249 2.371 1.00 31.01 H new ATOM 0 HB3 MET A 3 -1.055 6.123 2.609 1.00 31.01 H new ATOM 0 HG2 MET A 3 -2.403 4.244 1.979 1.00 10.52 H new ATOM 0 HG3 MET A 3 -3.885 5.173 2.086 1.00 10.52 H new ATOM 0 HE1 MET A 3 -3.215 3.900 -1.475 1.00 51.42 H new ATOM 0 HE2 MET A 3 -4.058 3.692 0.079 1.00 51.42 H new ATOM 0 HE3 MET A 3 -4.641 4.895 -1.096 1.00 51.42 H new ATOM 52 N ASP A 4 -3.070 4.085 5.419 1.00 10.14 N ATOM 53 CA ASP A 4 -2.868 2.745 5.981 1.00 42.34 C ATOM 54 C ASP A 4 -3.337 1.651 5.001 1.00 60.32 C ATOM 55 O ASP A 4 -4.465 1.693 4.501 1.00 4.44 O ATOM 56 CB ASP A 4 -3.642 2.612 7.301 1.00 34.44 C ATOM 57 CG ASP A 4 -3.213 3.629 8.346 1.00 31.00 C ATOM 58 OD1 ASP A 4 -3.652 4.799 8.272 1.00 42.24 O ATOM 59 OD2 ASP A 4 -2.440 3.264 9.257 1.00 53.13 O ATOM 0 H ASP A 4 -3.999 4.469 5.590 1.00 10.14 H new ATOM 0 HA ASP A 4 -1.801 2.613 6.161 1.00 42.34 H new ATOM 0 HB2 ASP A 4 -4.708 2.729 7.104 1.00 34.44 H new ATOM 0 HB3 ASP A 4 -3.500 1.608 7.700 1.00 34.44 H new ATOM 64 N ILE A 5 -2.470 0.677 4.728 1.00 11.23 N ATOM 65 CA ILE A 5 -2.796 -0.440 3.823 1.00 2.21 C ATOM 66 C ILE A 5 -2.310 -1.784 4.404 1.00 50.01 C ATOM 67 O ILE A 5 -1.283 -1.835 5.075 1.00 1.55 O ATOM 68 CB ILE A 5 -2.139 -0.248 2.426 1.00 13.02 C ATOM 69 CG1 ILE A 5 -2.483 1.132 1.833 1.00 21.41 C ATOM 70 CG2 ILE A 5 -2.568 -1.362 1.471 1.00 13.45 C ATOM 71 CD1 ILE A 5 -1.820 1.404 0.498 1.00 41.41 C ATOM 0 H ILE A 5 -1.529 0.633 5.120 1.00 11.23 H new ATOM 0 HA ILE A 5 -3.881 -0.451 3.718 1.00 2.21 H new ATOM 0 HB ILE A 5 -1.058 -0.299 2.556 1.00 13.02 H new ATOM 0 HG12 ILE A 5 -3.564 1.207 1.714 1.00 21.41 H new ATOM 0 HG13 ILE A 5 -2.186 1.906 2.541 1.00 21.41 H new ATOM 0 HG21 ILE A 5 -2.098 -1.210 0.500 1.00 13.45 H new ATOM 0 HG22 ILE A 5 -2.261 -2.326 1.876 1.00 13.45 H new ATOM 0 HG23 ILE A 5 -3.652 -1.345 1.356 1.00 13.45 H new ATOM 0 HD11 ILE A 5 -2.109 2.393 0.143 1.00 41.41 H new ATOM 0 HD12 ILE A 5 -0.737 1.362 0.614 1.00 41.41 H new ATOM 0 HD13 ILE A 5 -2.137 0.652 -0.225 1.00 41.41 H new ATOM 83 N ARG A 6 -3.045 -2.868 4.150 1.00 65.44 N ATOM 84 CA ARG A 6 -2.601 -4.213 4.555 1.00 1.22 C ATOM 85 C ARG A 6 -2.723 -5.224 3.400 1.00 52.13 C ATOM 86 O ARG A 6 -3.829 -5.585 2.988 1.00 70.34 O ATOM 87 CB ARG A 6 -3.389 -4.709 5.782 1.00 13.42 C ATOM 88 CG ARG A 6 -3.022 -3.998 7.083 1.00 50.40 C ATOM 89 CD ARG A 6 -3.755 -4.593 8.280 1.00 54.44 C ATOM 90 NE ARG A 6 -3.267 -4.052 9.548 1.00 75.01 N ATOM 91 CZ ARG A 6 -3.754 -4.365 10.718 1.00 12.25 C ATOM 92 NH1 ARG A 6 -4.763 -5.169 10.832 1.00 64.23 N ATOM 93 NH2 ARG A 6 -3.225 -3.863 11.781 1.00 61.12 N ATOM 0 H ARG A 6 -3.945 -2.847 3.670 1.00 65.44 H new ATOM 0 HA ARG A 6 -1.548 -4.136 4.825 1.00 1.22 H new ATOM 0 HB2 ARG A 6 -4.455 -4.576 5.595 1.00 13.42 H new ATOM 0 HB3 ARG A 6 -3.218 -5.779 5.903 1.00 13.42 H new ATOM 0 HG2 ARG A 6 -1.946 -4.068 7.244 1.00 50.40 H new ATOM 0 HG3 ARG A 6 -3.264 -2.938 6.999 1.00 50.40 H new ATOM 0 HD2 ARG A 6 -4.822 -4.392 8.187 1.00 54.44 H new ATOM 0 HD3 ARG A 6 -3.633 -5.676 8.278 1.00 54.44 H new ATOM 0 HE ARG A 6 -2.495 -3.386 9.516 1.00 75.01 H new ATOM 0 HH11 ARG A 6 -5.192 -5.570 9.998 1.00 64.23 H new ATOM 0 HH12 ARG A 6 -5.129 -5.401 11.756 1.00 64.23 H new ATOM 0 HH21 ARG A 6 -2.432 -3.226 11.704 1.00 61.12 H new ATOM 0 HH22 ARG A 6 -3.600 -4.102 12.699 1.00 61.12 H new ATOM 107 N PHE A 7 -1.574 -5.664 2.881 1.00 13.14 N ATOM 108 CA PHE A 7 -1.524 -6.691 1.826 1.00 32.50 C ATOM 109 C PHE A 7 -1.452 -8.101 2.433 1.00 2.51 C ATOM 110 O PHE A 7 -0.635 -8.364 3.313 1.00 51.10 O ATOM 111 CB PHE A 7 -0.307 -6.478 0.909 1.00 62.33 C ATOM 112 CG PHE A 7 -0.398 -5.267 0.008 1.00 21.20 C ATOM 113 CD1 PHE A 7 0.063 -4.027 0.434 1.00 52.43 C ATOM 114 CD2 PHE A 7 -0.930 -5.374 -1.273 1.00 11.22 C ATOM 115 CE1 PHE A 7 -0.006 -2.924 -0.397 1.00 75.53 C ATOM 116 CE2 PHE A 7 -0.996 -4.273 -2.106 1.00 14.05 C ATOM 117 CZ PHE A 7 -0.536 -3.047 -1.667 1.00 72.00 C ATOM 0 H PHE A 7 -0.658 -5.325 3.174 1.00 13.14 H new ATOM 0 HA PHE A 7 -2.438 -6.598 1.240 1.00 32.50 H new ATOM 0 HB2 PHE A 7 0.586 -6.387 1.528 1.00 62.33 H new ATOM 0 HB3 PHE A 7 -0.176 -7.365 0.290 1.00 62.33 H new ATOM 0 HD1 PHE A 7 0.480 -3.924 1.425 1.00 52.43 H new ATOM 0 HD2 PHE A 7 -1.296 -6.329 -1.621 1.00 11.22 H new ATOM 0 HE1 PHE A 7 0.355 -1.966 -0.053 1.00 75.53 H new ATOM 0 HE2 PHE A 7 -1.407 -4.371 -3.100 1.00 14.05 H new ATOM 0 HZ PHE A 7 -0.591 -2.185 -2.316 1.00 72.00 H new ATOM 127 N ARG A 8 -2.288 -9.009 1.946 1.00 75.11 N ATOM 128 CA ARG A 8 -2.323 -10.385 2.456 1.00 71.53 C ATOM 129 C ARG A 8 -2.387 -11.389 1.295 1.00 74.31 C ATOM 130 O ARG A 8 -3.234 -11.265 0.408 1.00 1.12 O ATOM 131 CB ARG A 8 -3.537 -10.557 3.377 1.00 31.42 C ATOM 132 CG ARG A 8 -3.563 -11.871 4.155 1.00 11.12 C ATOM 133 CD ARG A 8 -4.791 -11.952 5.054 1.00 44.34 C ATOM 134 NE ARG A 8 -4.792 -13.151 5.889 1.00 24.44 N ATOM 135 CZ ARG A 8 -5.851 -13.627 6.489 1.00 33.34 C ATOM 136 NH1 ARG A 8 -7.017 -13.095 6.296 1.00 62.45 N ATOM 137 NH2 ARG A 8 -5.743 -14.660 7.258 1.00 35.30 N ATOM 0 H ARG A 8 -2.955 -8.823 1.197 1.00 75.11 H new ATOM 0 HA ARG A 8 -1.412 -10.578 3.022 1.00 71.53 H new ATOM 0 HB2 ARG A 8 -3.559 -9.729 4.086 1.00 31.42 H new ATOM 0 HB3 ARG A 8 -4.444 -10.487 2.777 1.00 31.42 H new ATOM 0 HG2 ARG A 8 -3.562 -12.710 3.459 1.00 11.12 H new ATOM 0 HG3 ARG A 8 -2.660 -11.958 4.759 1.00 11.12 H new ATOM 0 HD2 ARG A 8 -4.830 -11.069 5.691 1.00 44.34 H new ATOM 0 HD3 ARG A 8 -5.690 -11.941 4.438 1.00 44.34 H new ATOM 0 HE ARG A 8 -3.910 -13.648 6.011 1.00 24.44 H new ATOM 0 HH11 ARG A 8 -7.116 -12.296 5.670 1.00 62.45 H new ATOM 0 HH12 ARG A 8 -7.836 -13.476 6.770 1.00 62.45 H new ATOM 0 HH21 ARG A 8 -4.833 -15.101 7.395 1.00 35.30 H new ATOM 0 HH22 ARG A 8 -6.567 -15.034 7.728 1.00 35.30 H new ATOM 151 N GLY A 9 -1.500 -12.385 1.302 1.00 2.41 N ATOM 152 CA GLY A 9 -1.439 -13.331 0.189 1.00 21.41 C ATOM 153 C GLY A 9 -0.692 -14.626 0.502 1.00 43.43 C ATOM 154 O GLY A 9 -0.541 -15.008 1.663 1.00 2.13 O ATOM 0 H GLY A 9 -0.827 -12.555 2.050 1.00 2.41 H new ATOM 0 HA2 GLY A 9 -2.455 -13.577 -0.119 1.00 21.41 H new ATOM 0 HA3 GLY A 9 -0.958 -12.844 -0.660 1.00 21.41 H new ATOM 158 N ASP A 10 -0.220 -15.302 -0.549 1.00 43.40 N ATOM 159 CA ASP A 10 0.433 -16.612 -0.409 1.00 31.02 C ATOM 160 C ASP A 10 1.934 -16.573 -0.770 1.00 10.45 C ATOM 161 O ASP A 10 2.565 -17.622 -0.931 1.00 10.52 O ATOM 162 CB ASP A 10 -0.286 -17.635 -1.297 1.00 20.33 C ATOM 163 CG ASP A 10 -1.737 -17.832 -0.893 1.00 53.10 C ATOM 164 OD1 ASP A 10 -1.986 -18.546 0.099 1.00 42.40 O ATOM 165 OD2 ASP A 10 -2.635 -17.272 -1.562 1.00 31.20 O ATOM 0 H ASP A 10 -0.277 -14.965 -1.510 1.00 43.40 H new ATOM 0 HA ASP A 10 0.365 -16.900 0.640 1.00 31.02 H new ATOM 0 HB2 ASP A 10 -0.242 -17.306 -2.335 1.00 20.33 H new ATOM 0 HB3 ASP A 10 0.236 -18.590 -1.243 1.00 20.33 H new ATOM 170 N ASP A 11 2.515 -15.378 -0.875 1.00 22.33 N ATOM 171 CA ASP A 11 3.932 -15.252 -1.244 1.00 33.23 C ATOM 172 C ASP A 11 4.626 -14.092 -0.514 1.00 11.53 C ATOM 173 O ASP A 11 4.007 -13.079 -0.193 1.00 3.14 O ATOM 174 CB ASP A 11 4.083 -15.079 -2.758 1.00 14.25 C ATOM 175 CG ASP A 11 5.542 -14.991 -3.167 1.00 64.11 C ATOM 176 OD1 ASP A 11 6.290 -15.954 -2.898 1.00 13.12 O ATOM 177 OD2 ASP A 11 5.951 -13.960 -3.734 1.00 31.44 O ATOM 0 H ASP A 11 2.037 -14.492 -0.713 1.00 22.33 H new ATOM 0 HA ASP A 11 4.421 -16.176 -0.934 1.00 33.23 H new ATOM 0 HB2 ASP A 11 3.611 -15.918 -3.270 1.00 14.25 H new ATOM 0 HB3 ASP A 11 3.560 -14.177 -3.076 1.00 14.25 H new ATOM 182 N LEU A 12 5.930 -14.254 -0.284 1.00 45.50 N ATOM 183 CA LEU A 12 6.737 -13.250 0.413 1.00 64.44 C ATOM 184 C LEU A 12 7.080 -12.064 -0.504 1.00 64.23 C ATOM 185 O LEU A 12 6.751 -10.913 -0.201 1.00 64.42 O ATOM 186 CB LEU A 12 8.032 -13.892 0.935 1.00 53.20 C ATOM 187 CG LEU A 12 8.990 -12.942 1.680 1.00 14.32 C ATOM 188 CD1 LEU A 12 8.351 -12.421 2.966 1.00 74.02 C ATOM 189 CD2 LEU A 12 10.316 -13.641 1.975 1.00 21.42 C ATOM 0 H LEU A 12 6.454 -15.080 -0.573 1.00 45.50 H new ATOM 0 HA LEU A 12 6.149 -12.871 1.249 1.00 64.44 H new ATOM 0 HB2 LEU A 12 7.767 -14.711 1.604 1.00 53.20 H new ATOM 0 HB3 LEU A 12 8.566 -14.330 0.091 1.00 53.20 H new ATOM 0 HG LEU A 12 9.191 -12.086 1.036 1.00 14.32 H new ATOM 0 HD11 LEU A 12 9.047 -11.753 3.473 1.00 74.02 H new ATOM 0 HD12 LEU A 12 7.437 -11.878 2.724 1.00 74.02 H new ATOM 0 HD13 LEU A 12 8.112 -13.260 3.619 1.00 74.02 H new ATOM 0 HD21 LEU A 12 10.980 -12.955 2.501 1.00 21.42 H new ATOM 0 HD22 LEU A 12 10.135 -14.518 2.596 1.00 21.42 H new ATOM 0 HD23 LEU A 12 10.781 -13.949 1.039 1.00 21.42 H new ATOM 201 N GLU A 13 7.736 -12.349 -1.632 1.00 4.43 N ATOM 202 CA GLU A 13 8.188 -11.295 -2.549 1.00 1.52 C ATOM 203 C GLU A 13 7.015 -10.500 -3.139 1.00 14.23 C ATOM 204 O GLU A 13 7.169 -9.331 -3.484 1.00 71.13 O ATOM 205 CB GLU A 13 9.072 -11.868 -3.669 1.00 43.32 C ATOM 206 CG GLU A 13 10.443 -12.336 -3.187 1.00 44.15 C ATOM 207 CD GLU A 13 11.421 -12.576 -4.330 1.00 35.31 C ATOM 208 OE1 GLU A 13 11.979 -11.591 -4.856 1.00 61.53 O ATOM 209 OE2 GLU A 13 11.642 -13.745 -4.700 1.00 24.54 O ATOM 0 H GLU A 13 7.966 -13.296 -1.933 1.00 4.43 H new ATOM 0 HA GLU A 13 8.789 -10.603 -1.959 1.00 1.52 H new ATOM 0 HB2 GLU A 13 8.555 -12.706 -4.136 1.00 43.32 H new ATOM 0 HB3 GLU A 13 9.207 -11.108 -4.439 1.00 43.32 H new ATOM 0 HG2 GLU A 13 10.859 -11.590 -2.510 1.00 44.15 H new ATOM 0 HG3 GLU A 13 10.327 -13.257 -2.615 1.00 44.15 H new ATOM 216 N ALA A 14 5.847 -11.131 -3.238 1.00 33.12 N ATOM 217 CA ALA A 14 4.626 -10.444 -3.674 1.00 64.33 C ATOM 218 C ALA A 14 4.368 -9.190 -2.824 1.00 23.13 C ATOM 219 O ALA A 14 4.041 -8.123 -3.352 1.00 30.24 O ATOM 220 CB ALA A 14 3.435 -11.394 -3.602 1.00 53.42 C ATOM 0 H ALA A 14 5.717 -12.119 -3.022 1.00 33.12 H new ATOM 0 HA ALA A 14 4.760 -10.127 -4.708 1.00 64.33 H new ATOM 0 HB1 ALA A 14 2.534 -10.874 -3.928 1.00 53.42 H new ATOM 0 HB2 ALA A 14 3.614 -12.251 -4.251 1.00 53.42 H new ATOM 0 HB3 ALA A 14 3.305 -11.737 -2.576 1.00 53.42 H new ATOM 226 N PHE A 15 4.539 -9.318 -1.506 1.00 1.40 N ATOM 227 CA PHE A 15 4.415 -8.170 -0.601 1.00 65.30 C ATOM 228 C PHE A 15 5.501 -7.124 -0.894 1.00 62.44 C ATOM 229 O PHE A 15 5.242 -5.921 -0.893 1.00 33.31 O ATOM 230 CB PHE A 15 4.533 -8.608 0.866 1.00 72.23 C ATOM 231 CG PHE A 15 3.529 -9.642 1.297 1.00 20.31 C ATOM 232 CD1 PHE A 15 2.181 -9.492 1.005 1.00 35.44 C ATOM 233 CD2 PHE A 15 3.935 -10.758 2.016 1.00 64.42 C ATOM 234 CE1 PHE A 15 1.261 -10.435 1.417 1.00 43.31 C ATOM 235 CE2 PHE A 15 3.020 -11.704 2.429 1.00 52.15 C ATOM 236 CZ PHE A 15 1.682 -11.542 2.130 1.00 43.44 C ATOM 0 H PHE A 15 4.762 -10.199 -1.043 1.00 1.40 H new ATOM 0 HA PHE A 15 3.431 -7.732 -0.768 1.00 65.30 H new ATOM 0 HB2 PHE A 15 5.535 -9.003 1.033 1.00 72.23 H new ATOM 0 HB3 PHE A 15 4.426 -7.730 1.503 1.00 72.23 H new ATOM 0 HD1 PHE A 15 1.848 -8.628 0.449 1.00 35.44 H new ATOM 0 HD2 PHE A 15 4.980 -10.887 2.255 1.00 64.42 H new ATOM 0 HE1 PHE A 15 0.214 -10.308 1.183 1.00 43.31 H new ATOM 0 HE2 PHE A 15 3.350 -12.569 2.985 1.00 52.15 H new ATOM 0 HZ PHE A 15 0.964 -12.281 2.453 1.00 43.44 H new ATOM 246 N GLU A 16 6.717 -7.605 -1.142 1.00 1.10 N ATOM 247 CA GLU A 16 7.868 -6.732 -1.393 1.00 42.01 C ATOM 248 C GLU A 16 7.722 -5.975 -2.726 1.00 32.52 C ATOM 249 O GLU A 16 8.158 -4.832 -2.846 1.00 14.00 O ATOM 250 CB GLU A 16 9.160 -7.572 -1.365 1.00 5.20 C ATOM 251 CG GLU A 16 10.460 -6.758 -1.355 1.00 4.05 C ATOM 252 CD GLU A 16 11.067 -6.568 -2.739 1.00 2.31 C ATOM 253 OE1 GLU A 16 11.512 -7.570 -3.336 1.00 33.23 O ATOM 254 OE2 GLU A 16 11.131 -5.419 -3.228 1.00 1.14 O ATOM 0 H GLU A 16 6.934 -8.601 -1.175 1.00 1.10 H new ATOM 0 HA GLU A 16 7.916 -5.978 -0.607 1.00 42.01 H new ATOM 0 HB2 GLU A 16 9.142 -8.211 -0.482 1.00 5.20 H new ATOM 0 HB3 GLU A 16 9.167 -8.230 -2.234 1.00 5.20 H new ATOM 0 HG2 GLU A 16 10.264 -5.780 -0.915 1.00 4.05 H new ATOM 0 HG3 GLU A 16 11.187 -7.256 -0.713 1.00 4.05 H new ATOM 261 N LYS A 17 7.088 -6.605 -3.722 1.00 53.14 N ATOM 262 CA LYS A 17 6.832 -5.946 -5.011 1.00 34.22 C ATOM 263 C LYS A 17 5.883 -4.758 -4.820 1.00 42.22 C ATOM 264 O LYS A 17 6.175 -3.634 -5.234 1.00 75.12 O ATOM 265 CB LYS A 17 6.218 -6.924 -6.032 1.00 72.03 C ATOM 266 CG LYS A 17 7.018 -8.205 -6.300 1.00 61.41 C ATOM 267 CD LYS A 17 8.450 -7.940 -6.776 1.00 54.35 C ATOM 268 CE LYS A 17 9.435 -7.849 -5.614 1.00 4.14 C ATOM 269 NZ LYS A 17 10.840 -7.701 -6.071 1.00 32.44 N ATOM 0 H LYS A 17 6.744 -7.564 -3.663 1.00 53.14 H new ATOM 0 HA LYS A 17 7.790 -5.597 -5.396 1.00 34.22 H new ATOM 0 HB2 LYS A 17 5.224 -7.206 -5.683 1.00 72.03 H new ATOM 0 HB3 LYS A 17 6.087 -6.397 -6.977 1.00 72.03 H new ATOM 0 HG2 LYS A 17 7.051 -8.801 -5.388 1.00 61.41 H new ATOM 0 HG3 LYS A 17 6.497 -8.799 -7.051 1.00 61.41 H new ATOM 0 HD2 LYS A 17 8.760 -8.737 -7.452 1.00 54.35 H new ATOM 0 HD3 LYS A 17 8.476 -7.011 -7.346 1.00 54.35 H new ATOM 0 HE2 LYS A 17 9.170 -7.001 -4.983 1.00 4.14 H new ATOM 0 HE3 LYS A 17 9.349 -8.744 -4.998 1.00 4.14 H new ATOM 0 HZ1 LYS A 17 11.469 -7.644 -5.245 1.00 32.44 H new ATOM 0 HZ2 LYS A 17 11.105 -8.522 -6.652 1.00 32.44 H new ATOM 0 HZ3 LYS A 17 10.931 -6.833 -6.637 1.00 32.44 H new ATOM 283 N ALA A 18 4.743 -5.022 -4.181 1.00 15.03 N ATOM 284 CA ALA A 18 3.758 -3.979 -3.874 1.00 34.04 C ATOM 285 C ALA A 18 4.374 -2.872 -3.008 1.00 72.34 C ATOM 286 O ALA A 18 4.208 -1.680 -3.282 1.00 33.11 O ATOM 287 CB ALA A 18 2.549 -4.591 -3.175 1.00 73.33 C ATOM 0 H ALA A 18 4.476 -5.954 -3.864 1.00 15.03 H new ATOM 0 HA ALA A 18 3.435 -3.528 -4.812 1.00 34.04 H new ATOM 0 HB1 ALA A 18 1.824 -3.809 -2.951 1.00 73.33 H new ATOM 0 HB2 ALA A 18 2.091 -5.336 -3.826 1.00 73.33 H new ATOM 0 HB3 ALA A 18 2.867 -5.067 -2.247 1.00 73.33 H new ATOM 293 N LEU A 19 5.092 -3.283 -1.965 1.00 62.14 N ATOM 294 CA LEU A 19 5.812 -2.356 -1.087 1.00 64.23 C ATOM 295 C LEU A 19 6.776 -1.463 -1.883 1.00 34.24 C ATOM 296 O LEU A 19 6.804 -0.245 -1.703 1.00 5.03 O ATOM 297 CB LEU A 19 6.588 -3.151 -0.026 1.00 60.02 C ATOM 298 CG LEU A 19 7.495 -2.323 0.903 1.00 2.40 C ATOM 299 CD1 LEU A 19 6.676 -1.345 1.744 1.00 41.30 C ATOM 300 CD2 LEU A 19 8.330 -3.241 1.795 1.00 14.14 C ATOM 0 H LEU A 19 5.193 -4.264 -1.703 1.00 62.14 H new ATOM 0 HA LEU A 19 5.082 -1.709 -0.602 1.00 64.23 H new ATOM 0 HB2 LEU A 19 5.871 -3.696 0.589 1.00 60.02 H new ATOM 0 HB3 LEU A 19 7.202 -3.894 -0.534 1.00 60.02 H new ATOM 0 HG LEU A 19 8.173 -1.739 0.281 1.00 2.40 H new ATOM 0 HD11 LEU A 19 7.343 -0.774 2.390 1.00 41.30 H new ATOM 0 HD12 LEU A 19 6.136 -0.663 1.087 1.00 41.30 H new ATOM 0 HD13 LEU A 19 5.964 -1.899 2.356 1.00 41.30 H new ATOM 0 HD21 LEU A 19 8.965 -2.638 2.445 1.00 14.14 H new ATOM 0 HD22 LEU A 19 7.668 -3.857 2.404 1.00 14.14 H new ATOM 0 HD23 LEU A 19 8.953 -3.884 1.173 1.00 14.14 H new ATOM 312 N LYS A 20 7.554 -2.081 -2.771 1.00 61.35 N ATOM 313 CA LYS A 20 8.552 -1.364 -3.569 1.00 40.23 C ATOM 314 C LYS A 20 7.900 -0.285 -4.449 1.00 42.20 C ATOM 315 O LYS A 20 8.396 0.839 -4.540 1.00 50.45 O ATOM 316 CB LYS A 20 9.343 -2.359 -4.436 1.00 23.25 C ATOM 317 CG LYS A 20 10.626 -1.781 -5.025 1.00 63.32 C ATOM 318 CD LYS A 20 11.543 -1.240 -3.928 1.00 42.52 C ATOM 319 CE LYS A 20 12.907 -0.835 -4.465 1.00 22.41 C ATOM 320 NZ LYS A 20 13.693 -2.003 -4.938 1.00 21.34 N ATOM 0 H LYS A 20 7.513 -3.083 -2.958 1.00 61.35 H new ATOM 0 HA LYS A 20 9.236 -0.862 -2.885 1.00 40.23 H new ATOM 0 HB2 LYS A 20 9.593 -3.232 -3.834 1.00 23.25 H new ATOM 0 HB3 LYS A 20 8.705 -2.705 -5.249 1.00 23.25 H new ATOM 0 HG2 LYS A 20 11.148 -2.552 -5.592 1.00 63.32 H new ATOM 0 HG3 LYS A 20 10.380 -0.982 -5.724 1.00 63.32 H new ATOM 0 HD2 LYS A 20 11.071 -0.379 -3.454 1.00 42.52 H new ATOM 0 HD3 LYS A 20 11.669 -1.999 -3.156 1.00 42.52 H new ATOM 0 HE2 LYS A 20 12.778 -0.130 -5.286 1.00 22.41 H new ATOM 0 HE3 LYS A 20 13.464 -0.317 -3.684 1.00 22.41 H new ATOM 0 HZ1 LYS A 20 14.678 -1.714 -5.103 1.00 21.34 H new ATOM 0 HZ2 LYS A 20 13.668 -2.753 -4.218 1.00 21.34 H new ATOM 0 HZ3 LYS A 20 13.284 -2.361 -5.825 1.00 21.34 H new ATOM 334 N GLU A 21 6.784 -0.635 -5.088 1.00 25.12 N ATOM 335 CA GLU A 21 6.023 0.321 -5.908 1.00 2.22 C ATOM 336 C GLU A 21 5.462 1.474 -5.061 1.00 14.32 C ATOM 337 O GLU A 21 5.520 2.641 -5.463 1.00 22.12 O ATOM 338 CB GLU A 21 4.882 -0.398 -6.644 1.00 33.23 C ATOM 339 CG GLU A 21 5.359 -1.357 -7.731 1.00 11.24 C ATOM 340 CD GLU A 21 6.053 -0.643 -8.880 1.00 64.52 C ATOM 341 OE1 GLU A 21 7.252 -0.308 -8.750 1.00 32.42 O ATOM 342 OE2 GLU A 21 5.403 -0.394 -9.914 1.00 73.43 O ATOM 0 H GLU A 21 6.383 -1.572 -5.057 1.00 25.12 H new ATOM 0 HA GLU A 21 6.709 0.748 -6.639 1.00 2.22 H new ATOM 0 HB2 GLU A 21 4.287 -0.953 -5.919 1.00 33.23 H new ATOM 0 HB3 GLU A 21 4.225 0.347 -7.092 1.00 33.23 H new ATOM 0 HG2 GLU A 21 6.044 -2.084 -7.294 1.00 11.24 H new ATOM 0 HG3 GLU A 21 4.506 -1.915 -8.117 1.00 11.24 H new ATOM 349 N MET A 22 4.928 1.147 -3.883 1.00 75.03 N ATOM 350 CA MET A 22 4.400 2.163 -2.966 1.00 42.00 C ATOM 351 C MET A 22 5.502 3.127 -2.505 1.00 51.01 C ATOM 352 O MET A 22 5.302 4.340 -2.480 1.00 61.11 O ATOM 353 CB MET A 22 3.724 1.506 -1.755 1.00 31.15 C ATOM 354 CG MET A 22 2.501 0.677 -2.120 1.00 2.31 C ATOM 355 SD MET A 22 1.263 1.628 -3.030 1.00 75.30 S ATOM 356 CE MET A 22 0.816 2.881 -1.827 1.00 32.14 C ATOM 0 H MET A 22 4.849 0.189 -3.541 1.00 75.03 H new ATOM 0 HA MET A 22 3.653 2.741 -3.510 1.00 42.00 H new ATOM 0 HB2 MET A 22 4.447 0.868 -1.247 1.00 31.15 H new ATOM 0 HB3 MET A 22 3.430 2.281 -1.048 1.00 31.15 H new ATOM 0 HG2 MET A 22 2.812 -0.177 -2.722 1.00 2.31 H new ATOM 0 HG3 MET A 22 2.052 0.279 -1.210 1.00 2.31 H new ATOM 0 HE1 MET A 22 -0.153 3.306 -2.087 1.00 32.14 H new ATOM 0 HE2 MET A 22 0.761 2.431 -0.836 1.00 32.14 H new ATOM 0 HE3 MET A 22 1.569 3.669 -1.826 1.00 32.14 H new ATOM 366 N ILE A 23 6.666 2.587 -2.149 1.00 42.40 N ATOM 367 CA ILE A 23 7.816 3.413 -1.753 1.00 65.42 C ATOM 368 C ILE A 23 8.310 4.275 -2.929 1.00 54.51 C ATOM 369 O ILE A 23 8.554 5.474 -2.774 1.00 64.42 O ATOM 370 CB ILE A 23 8.986 2.540 -1.226 1.00 41.15 C ATOM 371 CG1 ILE A 23 8.557 1.761 0.030 1.00 74.21 C ATOM 372 CG2 ILE A 23 10.220 3.398 -0.930 1.00 54.51 C ATOM 373 CD1 ILE A 23 9.632 0.842 0.579 1.00 51.02 C ATOM 0 H ILE A 23 6.842 1.583 -2.125 1.00 42.40 H new ATOM 0 HA ILE A 23 7.477 4.067 -0.949 1.00 65.42 H new ATOM 0 HB ILE A 23 9.250 1.824 -2.004 1.00 41.15 H new ATOM 0 HG12 ILE A 23 8.269 2.471 0.805 1.00 74.21 H new ATOM 0 HG13 ILE A 23 7.672 1.169 -0.206 1.00 74.21 H new ATOM 0 HG21 ILE A 23 11.025 2.762 -0.562 1.00 54.51 H new ATOM 0 HG22 ILE A 23 10.542 3.900 -1.843 1.00 54.51 H new ATOM 0 HG23 ILE A 23 9.972 4.143 -0.174 1.00 54.51 H new ATOM 0 HD11 ILE A 23 9.255 0.328 1.463 1.00 51.02 H new ATOM 0 HD12 ILE A 23 9.905 0.108 -0.179 1.00 51.02 H new ATOM 0 HD13 ILE A 23 10.510 1.429 0.848 1.00 51.02 H new ATOM 385 N ARG A 24 8.437 3.654 -4.102 1.00 53.33 N ATOM 386 CA ARG A 24 8.889 4.351 -5.316 1.00 45.42 C ATOM 387 C ARG A 24 8.026 5.592 -5.603 1.00 25.22 C ATOM 388 O ARG A 24 8.540 6.663 -5.932 1.00 41.50 O ATOM 389 CB ARG A 24 8.861 3.386 -6.517 1.00 13.30 C ATOM 390 CG ARG A 24 9.373 3.996 -7.820 1.00 15.51 C ATOM 391 CD ARG A 24 9.583 2.944 -8.911 1.00 2.34 C ATOM 392 NE ARG A 24 8.339 2.304 -9.345 1.00 53.44 N ATOM 393 CZ ARG A 24 7.778 2.513 -10.508 1.00 41.23 C ATOM 394 NH1 ARG A 24 8.288 3.363 -11.342 1.00 3.24 N ATOM 395 NH2 ARG A 24 6.714 1.862 -10.840 1.00 11.13 N ATOM 0 H ARG A 24 8.233 2.664 -4.242 1.00 53.33 H new ATOM 0 HA ARG A 24 9.912 4.690 -5.154 1.00 45.42 H new ATOM 0 HB2 ARG A 24 9.462 2.509 -6.278 1.00 13.30 H new ATOM 0 HB3 ARG A 24 7.838 3.040 -6.668 1.00 13.30 H new ATOM 0 HG2 ARG A 24 8.663 4.744 -8.172 1.00 15.51 H new ATOM 0 HG3 ARG A 24 10.314 4.513 -7.631 1.00 15.51 H new ATOM 0 HD2 ARG A 24 10.062 3.413 -9.771 1.00 2.34 H new ATOM 0 HD3 ARG A 24 10.267 2.180 -8.542 1.00 2.34 H new ATOM 0 HE ARG A 24 7.883 1.657 -8.702 1.00 53.44 H new ATOM 0 HH11 ARG A 24 9.134 3.876 -11.094 1.00 3.24 H new ATOM 0 HH12 ARG A 24 7.844 3.519 -12.247 1.00 3.24 H new ATOM 0 HH21 ARG A 24 6.309 1.183 -10.195 1.00 11.13 H new ATOM 0 HH22 ARG A 24 6.278 2.026 -11.747 1.00 11.13 H new ATOM 409 N GLN A 25 6.714 5.436 -5.471 1.00 12.45 N ATOM 410 CA GLN A 25 5.779 6.555 -5.627 1.00 53.32 C ATOM 411 C GLN A 25 5.819 7.503 -4.418 1.00 23.12 C ATOM 412 O GLN A 25 5.767 8.722 -4.572 1.00 12.34 O ATOM 413 CB GLN A 25 4.354 6.024 -5.827 1.00 53.03 C ATOM 414 CG GLN A 25 4.161 5.273 -7.142 1.00 74.43 C ATOM 415 CD GLN A 25 2.785 4.635 -7.272 1.00 2.21 C ATOM 416 OE1 GLN A 25 2.240 4.153 -6.171 1.00 23.24 O flip ATOM 417 NE2 GLN A 25 2.231 4.542 -8.362 1.00 43.33 N flip ATOM 0 H GLN A 25 6.268 4.544 -5.256 1.00 12.45 H new ATOM 0 HA GLN A 25 6.085 7.122 -6.506 1.00 53.32 H new ATOM 0 HB2 GLN A 25 4.103 5.361 -4.999 1.00 53.03 H new ATOM 0 HB3 GLN A 25 3.655 6.860 -5.789 1.00 53.03 H new ATOM 0 HG2 GLN A 25 4.315 5.962 -7.972 1.00 74.43 H new ATOM 0 HG3 GLN A 25 4.923 4.498 -7.226 1.00 74.43 H new ATOM 0 HE21 GLN A 25 2.678 4.925 -9.195 1.00 43.33 H new ATOM 0 HE22 GLN A 25 1.324 4.082 -8.435 1.00 43.33 H new ATOM 426 N ALA A 26 5.925 6.931 -3.218 1.00 55.50 N ATOM 427 CA ALA A 26 5.923 7.713 -1.973 1.00 42.11 C ATOM 428 C ALA A 26 7.077 8.727 -1.918 1.00 23.05 C ATOM 429 O ALA A 26 6.953 9.783 -1.300 1.00 60.54 O ATOM 430 CB ALA A 26 5.981 6.784 -0.766 1.00 12.34 C ATOM 0 H ALA A 26 6.014 5.925 -3.078 1.00 55.50 H new ATOM 0 HA ALA A 26 4.993 8.280 -1.950 1.00 42.11 H new ATOM 0 HB1 ALA A 26 5.979 7.376 0.149 1.00 12.34 H new ATOM 0 HB2 ALA A 26 5.114 6.124 -0.773 1.00 12.34 H new ATOM 0 HB3 ALA A 26 6.892 6.187 -0.810 1.00 12.34 H new ATOM 436 N ARG A 27 8.194 8.403 -2.574 1.00 13.54 N ATOM 437 CA ARG A 27 9.355 9.306 -2.623 1.00 30.21 C ATOM 438 C ARG A 27 8.991 10.687 -3.197 1.00 43.45 C ATOM 439 O ARG A 27 9.633 11.691 -2.879 1.00 61.12 O ATOM 440 CB ARG A 27 10.499 8.687 -3.443 1.00 24.35 C ATOM 441 CG ARG A 27 11.073 7.403 -2.845 1.00 60.43 C ATOM 442 CD ARG A 27 12.419 7.040 -3.470 1.00 64.42 C ATOM 443 NE ARG A 27 13.411 8.092 -3.258 1.00 33.13 N ATOM 444 CZ ARG A 27 14.669 8.010 -3.593 1.00 63.31 C ATOM 445 NH1 ARG A 27 15.147 6.938 -4.139 1.00 14.32 N ATOM 446 NH2 ARG A 27 15.451 9.013 -3.368 1.00 5.34 N ATOM 0 H ARG A 27 8.323 7.526 -3.078 1.00 13.54 H new ATOM 0 HA ARG A 27 9.687 9.446 -1.594 1.00 30.21 H new ATOM 0 HB2 ARG A 27 10.137 8.476 -4.449 1.00 24.35 H new ATOM 0 HB3 ARG A 27 11.300 9.420 -3.539 1.00 24.35 H new ATOM 0 HG2 ARG A 27 11.193 7.525 -1.769 1.00 60.43 H new ATOM 0 HG3 ARG A 27 10.369 6.585 -2.997 1.00 60.43 H new ATOM 0 HD2 ARG A 27 12.781 6.106 -3.040 1.00 64.42 H new ATOM 0 HD3 ARG A 27 12.291 6.870 -4.539 1.00 64.42 H new ATOM 0 HE ARG A 27 13.096 8.955 -2.815 1.00 33.13 H new ATOM 0 HH11 ARG A 27 14.537 6.139 -4.314 1.00 14.32 H new ATOM 0 HH12 ARG A 27 16.133 6.892 -4.394 1.00 14.32 H new ATOM 0 HH21 ARG A 27 15.083 9.859 -2.932 1.00 5.34 H new ATOM 0 HH22 ARG A 27 16.436 8.959 -3.626 1.00 5.34 H new ATOM 460 N LYS A 28 7.979 10.729 -4.062 1.00 55.50 N ATOM 461 CA LYS A 28 7.525 11.989 -4.665 1.00 14.34 C ATOM 462 C LYS A 28 6.914 12.941 -3.619 1.00 75.12 C ATOM 463 O LYS A 28 6.938 14.163 -3.786 1.00 55.43 O ATOM 464 CB LYS A 28 6.497 11.703 -5.772 1.00 32.15 C ATOM 465 CG LYS A 28 7.046 10.871 -6.928 1.00 23.03 C ATOM 466 CD LYS A 28 8.170 11.599 -7.664 1.00 5.44 C ATOM 467 CE LYS A 28 8.732 10.768 -8.813 1.00 43.25 C ATOM 468 NZ LYS A 28 9.811 11.486 -9.544 1.00 25.44 N ATOM 0 H LYS A 28 7.455 9.907 -4.363 1.00 55.50 H new ATOM 0 HA LYS A 28 8.399 12.481 -5.092 1.00 14.34 H new ATOM 0 HB2 LYS A 28 5.644 11.183 -5.336 1.00 32.15 H new ATOM 0 HB3 LYS A 28 6.126 12.650 -6.163 1.00 32.15 H new ATOM 0 HG2 LYS A 28 7.417 9.919 -6.547 1.00 23.03 H new ATOM 0 HG3 LYS A 28 6.241 10.643 -7.627 1.00 23.03 H new ATOM 0 HD2 LYS A 28 7.796 12.547 -8.051 1.00 5.44 H new ATOM 0 HD3 LYS A 28 8.970 11.835 -6.962 1.00 5.44 H new ATOM 0 HE2 LYS A 28 9.122 9.827 -8.424 1.00 43.25 H new ATOM 0 HE3 LYS A 28 7.929 10.518 -9.506 1.00 43.25 H new ATOM 0 HZ1 LYS A 28 10.165 10.887 -10.317 1.00 25.44 H new ATOM 0 HZ2 LYS A 28 9.434 12.371 -9.938 1.00 25.44 H new ATOM 0 HZ3 LYS A 28 10.589 11.703 -8.889 1.00 25.44 H new ATOM 482 N PHE A 29 6.375 12.378 -2.542 1.00 63.52 N ATOM 483 CA PHE A 29 5.702 13.168 -1.506 1.00 35.10 C ATOM 484 C PHE A 29 6.666 13.559 -0.376 1.00 74.24 C ATOM 485 O PHE A 29 7.543 12.782 0.010 1.00 25.55 O ATOM 486 CB PHE A 29 4.523 12.374 -0.926 1.00 41.24 C ATOM 487 CG PHE A 29 3.601 11.809 -1.975 1.00 50.14 C ATOM 488 CD1 PHE A 29 2.734 12.634 -2.676 1.00 12.21 C ATOM 489 CD2 PHE A 29 3.607 10.451 -2.267 1.00 51.14 C ATOM 490 CE1 PHE A 29 1.893 12.118 -3.642 1.00 64.50 C ATOM 491 CE2 PHE A 29 2.766 9.931 -3.232 1.00 75.04 C ATOM 492 CZ PHE A 29 1.909 10.766 -3.920 1.00 0.12 C ATOM 0 H PHE A 29 6.389 11.374 -2.360 1.00 63.52 H new ATOM 0 HA PHE A 29 5.338 14.084 -1.971 1.00 35.10 H new ATOM 0 HB2 PHE A 29 4.911 11.557 -0.317 1.00 41.24 H new ATOM 0 HB3 PHE A 29 3.951 13.022 -0.263 1.00 41.24 H new ATOM 0 HD1 PHE A 29 2.716 13.693 -2.464 1.00 12.21 H new ATOM 0 HD2 PHE A 29 4.277 9.794 -1.733 1.00 51.14 H new ATOM 0 HE1 PHE A 29 1.223 12.772 -4.180 1.00 64.50 H new ATOM 0 HE2 PHE A 29 2.779 8.873 -3.448 1.00 75.04 H new ATOM 0 HZ PHE A 29 1.251 10.362 -4.675 1.00 0.12 H new ATOM 502 N ALA A 30 6.502 14.769 0.156 1.00 11.31 N ATOM 503 CA ALA A 30 7.318 15.225 1.284 1.00 21.12 C ATOM 504 C ALA A 30 6.797 14.646 2.608 1.00 41.24 C ATOM 505 O ALA A 30 6.113 15.328 3.379 1.00 31.13 O ATOM 506 CB ALA A 30 7.358 16.751 1.332 1.00 24.32 C ATOM 0 H ALA A 30 5.816 15.449 -0.172 1.00 11.31 H new ATOM 0 HA ALA A 30 8.335 14.861 1.140 1.00 21.12 H new ATOM 0 HB1 ALA A 30 7.968 17.073 2.176 1.00 24.32 H new ATOM 0 HB2 ALA A 30 7.789 17.133 0.406 1.00 24.32 H new ATOM 0 HB3 ALA A 30 6.346 17.138 1.448 1.00 24.32 H new ATOM 512 N GLY A 31 7.106 13.375 2.859 1.00 32.14 N ATOM 513 CA GLY A 31 6.612 12.707 4.058 1.00 11.12 C ATOM 514 C GLY A 31 7.488 11.545 4.526 1.00 13.02 C ATOM 515 O GLY A 31 8.682 11.491 4.225 1.00 41.32 O ATOM 0 H GLY A 31 7.689 12.795 2.256 1.00 32.14 H new ATOM 0 HA2 GLY A 31 6.534 13.438 4.863 1.00 11.12 H new ATOM 0 HA3 GLY A 31 5.605 12.336 3.866 1.00 11.12 H new ATOM 519 N THR A 32 6.890 10.611 5.263 1.00 71.42 N ATOM 520 CA THR A 32 7.625 9.470 5.841 1.00 33.54 C ATOM 521 C THR A 32 6.946 8.136 5.501 1.00 60.34 C ATOM 522 O THR A 32 5.723 8.033 5.526 1.00 64.42 O ATOM 523 CB THR A 32 7.726 9.592 7.384 1.00 62.34 C ATOM 524 OG1 THR A 32 8.291 10.863 7.745 1.00 14.13 O ATOM 525 CG2 THR A 32 8.575 8.471 7.982 1.00 3.51 C ATOM 0 H THR A 32 5.893 10.616 5.479 1.00 71.42 H new ATOM 0 HA THR A 32 8.624 9.489 5.406 1.00 33.54 H new ATOM 0 HB THR A 32 6.716 9.509 7.786 1.00 62.34 H new ATOM 0 HG1 THR A 32 8.349 10.930 8.721 1.00 14.13 H new ATOM 0 HG21 THR A 32 8.623 8.589 9.065 1.00 3.51 H new ATOM 0 HG22 THR A 32 8.126 7.507 7.742 1.00 3.51 H new ATOM 0 HG23 THR A 32 9.582 8.516 7.567 1.00 3.51 H new ATOM 533 N VAL A 33 7.739 7.115 5.188 1.00 75.32 N ATOM 534 CA VAL A 33 7.198 5.786 4.864 1.00 13.12 C ATOM 535 C VAL A 33 7.613 4.743 5.914 1.00 2.40 C ATOM 536 O VAL A 33 8.790 4.631 6.261 1.00 33.30 O ATOM 537 CB VAL A 33 7.670 5.308 3.466 1.00 41.15 C ATOM 538 CG1 VAL A 33 7.017 3.976 3.087 1.00 14.44 C ATOM 539 CG2 VAL A 33 7.392 6.374 2.407 1.00 54.23 C ATOM 0 H VAL A 33 8.756 7.176 5.150 1.00 75.32 H new ATOM 0 HA VAL A 33 6.112 5.882 4.862 1.00 13.12 H new ATOM 0 HB VAL A 33 8.747 5.148 3.512 1.00 41.15 H new ATOM 0 HG11 VAL A 33 7.367 3.666 2.102 1.00 14.44 H new ATOM 0 HG12 VAL A 33 7.285 3.217 3.822 1.00 14.44 H new ATOM 0 HG13 VAL A 33 5.934 4.095 3.066 1.00 14.44 H new ATOM 0 HG21 VAL A 33 7.731 6.018 1.434 1.00 54.23 H new ATOM 0 HG22 VAL A 33 6.322 6.576 2.367 1.00 54.23 H new ATOM 0 HG23 VAL A 33 7.925 7.290 2.664 1.00 54.23 H new ATOM 549 N THR A 34 6.643 3.981 6.417 1.00 24.35 N ATOM 550 CA THR A 34 6.913 2.926 7.404 1.00 40.44 C ATOM 551 C THR A 34 5.984 1.720 7.213 1.00 61.41 C ATOM 552 O THR A 34 4.879 1.852 6.681 1.00 12.31 O ATOM 553 CB THR A 34 6.768 3.446 8.855 1.00 33.33 C ATOM 554 OG1 THR A 34 7.008 2.383 9.791 1.00 53.24 O ATOM 555 CG2 THR A 34 5.382 4.041 9.099 1.00 11.21 C ATOM 0 H THR A 34 5.660 4.072 6.159 1.00 24.35 H new ATOM 0 HA THR A 34 7.944 2.613 7.239 1.00 40.44 H new ATOM 0 HB THR A 34 7.509 4.233 8.999 1.00 33.33 H new ATOM 0 HG1 THR A 34 6.915 2.725 10.705 1.00 53.24 H new ATOM 0 HG21 THR A 34 5.314 4.396 10.127 1.00 11.21 H new ATOM 0 HG22 THR A 34 5.218 4.874 8.416 1.00 11.21 H new ATOM 0 HG23 THR A 34 4.623 3.277 8.928 1.00 11.21 H new ATOM 563 N TYR A 35 6.433 0.543 7.643 1.00 42.41 N ATOM 564 CA TYR A 35 5.637 -0.684 7.506 1.00 14.15 C ATOM 565 C TYR A 35 6.041 -1.756 8.534 1.00 2.31 C ATOM 566 O TYR A 35 7.125 -1.700 9.121 1.00 54.22 O ATOM 567 CB TYR A 35 5.774 -1.248 6.081 1.00 74.51 C ATOM 568 CG TYR A 35 7.174 -1.726 5.728 1.00 31.44 C ATOM 569 CD1 TYR A 35 8.117 -0.853 5.190 1.00 12.53 C ATOM 570 CD2 TYR A 35 7.550 -3.051 5.927 1.00 61.34 C ATOM 571 CE1 TYR A 35 9.388 -1.288 4.865 1.00 3.45 C ATOM 572 CE2 TYR A 35 8.818 -3.491 5.604 1.00 13.11 C ATOM 573 CZ TYR A 35 9.732 -2.607 5.074 1.00 44.31 C ATOM 574 OH TYR A 35 10.995 -3.047 4.747 1.00 71.44 O ATOM 0 H TYR A 35 7.341 0.408 8.089 1.00 42.41 H new ATOM 0 HA TYR A 35 4.597 -0.419 7.698 1.00 14.15 H new ATOM 0 HB2 TYR A 35 5.079 -2.079 5.964 1.00 74.51 H new ATOM 0 HB3 TYR A 35 5.475 -0.479 5.368 1.00 74.51 H new ATOM 0 HD1 TYR A 35 7.851 0.180 5.024 1.00 12.53 H new ATOM 0 HD2 TYR A 35 6.837 -3.748 6.342 1.00 61.34 H new ATOM 0 HE1 TYR A 35 10.108 -0.599 4.450 1.00 3.45 H new ATOM 0 HE2 TYR A 35 9.092 -4.523 5.766 1.00 13.11 H new ATOM 0 HH TYR A 35 11.074 -4.001 4.958 1.00 71.44 H new ATOM 584 N THR A 36 5.157 -2.731 8.743 1.00 25.42 N ATOM 585 CA THR A 36 5.441 -3.887 9.610 1.00 50.43 C ATOM 586 C THR A 36 4.939 -5.188 8.965 1.00 34.45 C ATOM 587 O THR A 36 3.879 -5.209 8.333 1.00 52.42 O ATOM 588 CB THR A 36 4.804 -3.736 11.014 1.00 22.22 C ATOM 589 OG1 THR A 36 5.072 -4.906 11.806 1.00 2.43 O ATOM 590 CG2 THR A 36 3.298 -3.514 10.920 1.00 45.31 C ATOM 0 H THR A 36 4.228 -2.748 8.322 1.00 25.42 H new ATOM 0 HA THR A 36 6.524 -3.929 9.729 1.00 50.43 H new ATOM 0 HB THR A 36 5.249 -2.862 11.490 1.00 22.22 H new ATOM 0 HG1 THR A 36 4.667 -4.801 12.692 1.00 2.43 H new ATOM 0 HG21 THR A 36 2.882 -3.412 11.922 1.00 45.31 H new ATOM 0 HG22 THR A 36 3.099 -2.606 10.350 1.00 45.31 H new ATOM 0 HG23 THR A 36 2.835 -4.365 10.420 1.00 45.31 H new ATOM 598 N LEU A 37 5.699 -6.269 9.120 1.00 22.21 N ATOM 599 CA LEU A 37 5.365 -7.551 8.479 1.00 22.41 C ATOM 600 C LEU A 37 5.187 -8.676 9.510 1.00 53.41 C ATOM 601 O LEU A 37 6.050 -8.899 10.359 1.00 52.50 O ATOM 602 CB LEU A 37 6.462 -7.940 7.473 1.00 24.21 C ATOM 603 CG LEU A 37 6.249 -9.274 6.727 1.00 75.23 C ATOM 604 CD1 LEU A 37 4.981 -9.236 5.877 1.00 52.04 C ATOM 605 CD2 LEU A 37 7.464 -9.608 5.864 1.00 41.33 C ATOM 0 H LEU A 37 6.550 -6.289 9.682 1.00 22.21 H new ATOM 0 HA LEU A 37 4.417 -7.420 7.958 1.00 22.41 H new ATOM 0 HB2 LEU A 37 6.550 -7.143 6.735 1.00 24.21 H new ATOM 0 HB3 LEU A 37 7.413 -7.990 8.003 1.00 24.21 H new ATOM 0 HG LEU A 37 6.128 -10.059 7.474 1.00 75.23 H new ATOM 0 HD11 LEU A 37 4.858 -10.190 5.364 1.00 52.04 H new ATOM 0 HD12 LEU A 37 4.118 -9.055 6.518 1.00 52.04 H new ATOM 0 HD13 LEU A 37 5.060 -8.436 5.141 1.00 52.04 H new ATOM 0 HD21 LEU A 37 7.294 -10.552 5.346 1.00 41.33 H new ATOM 0 HD22 LEU A 37 7.619 -8.815 5.132 1.00 41.33 H new ATOM 0 HD23 LEU A 37 8.347 -9.695 6.497 1.00 41.33 H new ATOM 617 N ASP A 38 4.060 -9.381 9.425 1.00 33.13 N ATOM 618 CA ASP A 38 3.820 -10.568 10.251 1.00 44.41 C ATOM 619 C ASP A 38 3.416 -11.759 9.371 1.00 23.31 C ATOM 620 O ASP A 38 2.227 -12.013 9.145 1.00 51.01 O ATOM 621 CB ASP A 38 2.747 -10.293 11.318 1.00 4.04 C ATOM 622 CG ASP A 38 2.444 -11.518 12.171 1.00 64.12 C ATOM 623 OD1 ASP A 38 3.377 -12.057 12.801 1.00 54.35 O ATOM 624 OD2 ASP A 38 1.275 -11.960 12.204 1.00 13.23 O ATOM 0 H ASP A 38 3.295 -9.151 8.791 1.00 33.13 H new ATOM 0 HA ASP A 38 4.748 -10.816 10.767 1.00 44.41 H new ATOM 0 HB2 ASP A 38 3.080 -9.479 11.962 1.00 4.04 H new ATOM 0 HB3 ASP A 38 1.831 -9.959 10.830 1.00 4.04 H new ATOM 629 N GLY A 39 4.422 -12.451 8.840 1.00 52.44 N ATOM 630 CA GLY A 39 4.193 -13.651 8.047 1.00 64.02 C ATOM 631 C GLY A 39 3.405 -13.412 6.760 1.00 11.14 C ATOM 632 O GLY A 39 3.947 -12.928 5.768 1.00 54.34 O ATOM 0 H GLY A 39 5.404 -12.198 8.946 1.00 52.44 H new ATOM 0 HA2 GLY A 39 5.156 -14.094 7.793 1.00 64.02 H new ATOM 0 HA3 GLY A 39 3.658 -14.379 8.657 1.00 64.02 H new ATOM 636 N ASN A 40 2.112 -13.732 6.790 1.00 0.21 N ATOM 637 CA ASN A 40 1.280 -13.735 5.577 1.00 33.12 C ATOM 638 C ASN A 40 0.515 -12.411 5.374 1.00 73.24 C ATOM 639 O ASN A 40 -0.368 -12.325 4.517 1.00 51.34 O ATOM 640 CB ASN A 40 0.286 -14.905 5.644 1.00 22.34 C ATOM 641 CG ASN A 40 0.965 -16.229 5.971 1.00 61.51 C ATOM 642 OD1 ASN A 40 2.130 -16.446 5.655 1.00 43.02 O ATOM 643 ND2 ASN A 40 0.241 -17.126 6.612 1.00 65.23 N ATOM 0 H ASN A 40 1.613 -13.994 7.640 1.00 0.21 H new ATOM 0 HA ASN A 40 1.949 -13.850 4.724 1.00 33.12 H new ATOM 0 HB2 ASN A 40 -0.471 -14.692 6.399 1.00 22.34 H new ATOM 0 HB3 ASN A 40 -0.232 -14.992 4.689 1.00 22.34 H new ATOM 0 HD21 ASN A 40 0.648 -18.028 6.858 1.00 65.23 H new ATOM 0 HD22 ASN A 40 -0.726 -16.917 6.862 1.00 65.23 H new ATOM 650 N ASP A 41 0.864 -11.379 6.145 1.00 35.13 N ATOM 651 CA ASP A 41 0.187 -10.076 6.053 1.00 70.22 C ATOM 652 C ASP A 41 1.169 -8.909 6.295 1.00 44.43 C ATOM 653 O ASP A 41 1.952 -8.924 7.253 1.00 52.03 O ATOM 654 CB ASP A 41 -0.978 -10.023 7.054 1.00 72.33 C ATOM 655 CG ASP A 41 -1.773 -8.727 6.978 1.00 71.31 C ATOM 656 OD1 ASP A 41 -2.714 -8.643 6.165 1.00 41.03 O ATOM 657 OD2 ASP A 41 -1.470 -7.793 7.753 1.00 2.20 O ATOM 0 H ASP A 41 1.610 -11.416 6.840 1.00 35.13 H new ATOM 0 HA ASP A 41 -0.205 -9.965 5.042 1.00 70.22 H new ATOM 0 HB2 ASP A 41 -1.647 -10.864 6.869 1.00 72.33 H new ATOM 0 HB3 ASP A 41 -0.587 -10.143 8.064 1.00 72.33 H new ATOM 662 N LEU A 42 1.108 -7.893 5.431 1.00 73.04 N ATOM 663 CA LEU A 42 2.023 -6.741 5.492 1.00 74.45 C ATOM 664 C LEU A 42 1.262 -5.410 5.637 1.00 1.33 C ATOM 665 O LEU A 42 0.495 -5.021 4.754 1.00 50.24 O ATOM 666 CB LEU A 42 2.898 -6.703 4.226 1.00 2.25 C ATOM 667 CG LEU A 42 3.849 -5.495 4.107 1.00 12.51 C ATOM 668 CD1 LEU A 42 4.857 -5.475 5.251 1.00 30.24 C ATOM 669 CD2 LEU A 42 4.569 -5.500 2.761 1.00 72.41 C ATOM 0 H LEU A 42 0.429 -7.841 4.672 1.00 73.04 H new ATOM 0 HA LEU A 42 2.651 -6.863 6.375 1.00 74.45 H new ATOM 0 HB2 LEU A 42 3.493 -7.616 4.190 1.00 2.25 H new ATOM 0 HB3 LEU A 42 2.244 -6.715 3.354 1.00 2.25 H new ATOM 0 HG LEU A 42 3.245 -4.590 4.171 1.00 12.51 H new ATOM 0 HD11 LEU A 42 5.515 -4.613 5.141 1.00 30.24 H new ATOM 0 HD12 LEU A 42 4.327 -5.409 6.201 1.00 30.24 H new ATOM 0 HD13 LEU A 42 5.451 -6.389 5.229 1.00 30.24 H new ATOM 0 HD21 LEU A 42 5.234 -4.638 2.701 1.00 72.41 H new ATOM 0 HD22 LEU A 42 5.152 -6.416 2.664 1.00 72.41 H new ATOM 0 HD23 LEU A 42 3.836 -5.449 1.956 1.00 72.41 H new ATOM 681 N GLU A 43 1.489 -4.715 6.752 1.00 41.55 N ATOM 682 CA GLU A 43 0.882 -3.399 6.992 1.00 62.34 C ATOM 683 C GLU A 43 1.827 -2.262 6.563 1.00 10.24 C ATOM 684 O GLU A 43 2.928 -2.120 7.097 1.00 22.21 O ATOM 685 CB GLU A 43 0.526 -3.245 8.479 1.00 70.45 C ATOM 686 CG GLU A 43 -0.077 -1.889 8.832 1.00 33.52 C ATOM 687 CD GLU A 43 -0.398 -1.758 10.313 1.00 35.43 C ATOM 688 OE1 GLU A 43 0.507 -1.405 11.096 1.00 32.32 O ATOM 689 OE2 GLU A 43 -1.554 -2.020 10.705 1.00 71.41 O ATOM 0 H GLU A 43 2.091 -5.041 7.508 1.00 41.55 H new ATOM 0 HA GLU A 43 -0.026 -3.334 6.392 1.00 62.34 H new ATOM 0 HB2 GLU A 43 -0.179 -4.029 8.757 1.00 70.45 H new ATOM 0 HB3 GLU A 43 1.425 -3.398 9.076 1.00 70.45 H new ATOM 0 HG2 GLU A 43 0.618 -1.101 8.544 1.00 33.52 H new ATOM 0 HG3 GLU A 43 -0.988 -1.739 8.252 1.00 33.52 H new ATOM 696 N ILE A 44 1.387 -1.455 5.599 1.00 3.33 N ATOM 697 CA ILE A 44 2.173 -0.321 5.091 1.00 71.05 C ATOM 698 C ILE A 44 1.434 1.006 5.332 1.00 53.31 C ATOM 699 O ILE A 44 0.274 1.151 4.947 1.00 1.24 O ATOM 700 CB ILE A 44 2.443 -0.467 3.568 1.00 34.43 C ATOM 701 CG1 ILE A 44 3.030 -1.854 3.250 1.00 75.44 C ATOM 702 CG2 ILE A 44 3.380 0.642 3.081 1.00 71.14 C ATOM 703 CD1 ILE A 44 3.160 -2.139 1.767 1.00 42.12 C ATOM 0 H ILE A 44 0.479 -1.564 5.146 1.00 3.33 H new ATOM 0 HA ILE A 44 3.121 -0.318 5.630 1.00 71.05 H new ATOM 0 HB ILE A 44 1.494 -0.371 3.040 1.00 34.43 H new ATOM 0 HG12 ILE A 44 4.013 -1.937 3.714 1.00 75.44 H new ATOM 0 HG13 ILE A 44 2.398 -2.618 3.703 1.00 75.44 H new ATOM 0 HG21 ILE A 44 3.558 0.524 2.012 1.00 71.14 H new ATOM 0 HG22 ILE A 44 2.922 1.613 3.268 1.00 71.14 H new ATOM 0 HG23 ILE A 44 4.328 0.579 3.616 1.00 71.14 H new ATOM 0 HD11 ILE A 44 3.581 -3.134 1.623 1.00 42.12 H new ATOM 0 HD12 ILE A 44 2.177 -2.090 1.299 1.00 42.12 H new ATOM 0 HD13 ILE A 44 3.816 -1.398 1.310 1.00 42.12 H new ATOM 715 N ARG A 45 2.097 1.973 5.970 1.00 74.51 N ATOM 716 CA ARG A 45 1.497 3.296 6.192 1.00 21.21 C ATOM 717 C ARG A 45 2.390 4.420 5.645 1.00 23.13 C ATOM 718 O ARG A 45 3.544 4.570 6.055 1.00 40.34 O ATOM 719 CB ARG A 45 1.222 3.542 7.683 1.00 4.51 C ATOM 720 CG ARG A 45 0.387 4.796 7.941 1.00 44.04 C ATOM 721 CD ARG A 45 0.220 5.090 9.429 1.00 21.04 C ATOM 722 NE ARG A 45 1.438 5.630 10.035 1.00 71.33 N ATOM 723 CZ ARG A 45 2.069 5.079 11.036 1.00 31.43 C ATOM 724 NH1 ARG A 45 1.653 3.961 11.543 1.00 1.34 N ATOM 725 NH2 ARG A 45 3.118 5.649 11.531 1.00 24.05 N ATOM 0 H ARG A 45 3.042 1.869 6.340 1.00 74.51 H new ATOM 0 HA ARG A 45 0.551 3.306 5.651 1.00 21.21 H new ATOM 0 HB2 ARG A 45 0.705 2.677 8.098 1.00 4.51 H new ATOM 0 HB3 ARG A 45 2.171 3.630 8.211 1.00 4.51 H new ATOM 0 HG2 ARG A 45 0.860 5.650 7.456 1.00 44.04 H new ATOM 0 HG3 ARG A 45 -0.596 4.675 7.485 1.00 44.04 H new ATOM 0 HD2 ARG A 45 -0.596 5.800 9.566 1.00 21.04 H new ATOM 0 HD3 ARG A 45 -0.064 4.174 9.947 1.00 21.04 H new ATOM 0 HE ARG A 45 1.819 6.494 9.650 1.00 71.33 H new ATOM 0 HH11 ARG A 45 0.826 3.504 11.160 1.00 1.34 H new ATOM 0 HH12 ARG A 45 2.153 3.538 12.325 1.00 1.34 H new ATOM 0 HH21 ARG A 45 3.453 6.529 11.139 1.00 24.05 H new ATOM 0 HH22 ARG A 45 3.611 5.219 12.313 1.00 24.05 H new ATOM 739 N ILE A 46 1.849 5.207 4.719 1.00 73.51 N ATOM 740 CA ILE A 46 2.564 6.365 4.174 1.00 4.41 C ATOM 741 C ILE A 46 2.077 7.671 4.834 1.00 52.42 C ATOM 742 O ILE A 46 0.897 8.026 4.752 1.00 30.22 O ATOM 743 CB ILE A 46 2.406 6.456 2.635 1.00 13.34 C ATOM 744 CG1 ILE A 46 2.955 5.180 1.968 1.00 55.11 C ATOM 745 CG2 ILE A 46 3.120 7.697 2.092 1.00 41.43 C ATOM 746 CD1 ILE A 46 2.787 5.151 0.461 1.00 42.04 C ATOM 0 H ILE A 46 0.917 5.067 4.328 1.00 73.51 H new ATOM 0 HA ILE A 46 3.622 6.230 4.400 1.00 4.41 H new ATOM 0 HB ILE A 46 1.345 6.544 2.399 1.00 13.34 H new ATOM 0 HG12 ILE A 46 4.014 5.084 2.207 1.00 55.11 H new ATOM 0 HG13 ILE A 46 2.452 4.313 2.396 1.00 55.11 H new ATOM 0 HG21 ILE A 46 2.997 7.743 1.010 1.00 41.43 H new ATOM 0 HG22 ILE A 46 2.690 8.591 2.544 1.00 41.43 H new ATOM 0 HG23 ILE A 46 4.181 7.642 2.335 1.00 41.43 H new ATOM 0 HD11 ILE A 46 3.198 4.222 0.067 1.00 42.04 H new ATOM 0 HD12 ILE A 46 1.728 5.214 0.212 1.00 42.04 H new ATOM 0 HD13 ILE A 46 3.314 5.997 0.020 1.00 42.04 H new ATOM 758 N THR A 47 2.998 8.370 5.489 1.00 65.22 N ATOM 759 CA THR A 47 2.684 9.599 6.232 1.00 2.00 C ATOM 760 C THR A 47 2.865 10.853 5.367 1.00 13.02 C ATOM 761 O THR A 47 3.986 11.205 4.994 1.00 40.21 O ATOM 762 CB THR A 47 3.580 9.735 7.493 1.00 40.21 C ATOM 763 OG1 THR A 47 3.448 8.570 8.324 1.00 74.01 O ATOM 764 CG2 THR A 47 3.220 10.977 8.303 1.00 21.15 C ATOM 0 H THR A 47 3.983 8.107 5.524 1.00 65.22 H new ATOM 0 HA THR A 47 1.638 9.520 6.528 1.00 2.00 H new ATOM 0 HB THR A 47 4.612 9.831 7.154 1.00 40.21 H new ATOM 0 HG1 THR A 47 2.595 8.606 8.804 1.00 74.01 H new ATOM 0 HG21 THR A 47 3.867 11.041 9.178 1.00 21.15 H new ATOM 0 HG22 THR A 47 3.355 11.865 7.686 1.00 21.15 H new ATOM 0 HG23 THR A 47 2.180 10.913 8.624 1.00 21.15 H new ATOM 772 N GLY A 48 1.757 11.527 5.060 1.00 61.31 N ATOM 773 CA GLY A 48 1.814 12.771 4.296 1.00 13.44 C ATOM 774 C GLY A 48 1.474 12.596 2.819 1.00 62.21 C ATOM 775 O GLY A 48 2.341 12.739 1.955 1.00 51.52 O ATOM 0 H GLY A 48 0.817 11.235 5.326 1.00 61.31 H new ATOM 0 HA2 GLY A 48 1.124 13.490 4.737 1.00 13.44 H new ATOM 0 HA3 GLY A 48 2.814 13.195 4.382 1.00 13.44 H new ATOM 779 N VAL A 49 0.210 12.296 2.526 1.00 23.43 N ATOM 780 CA VAL A 49 -0.247 12.133 1.138 1.00 51.42 C ATOM 781 C VAL A 49 -1.465 13.031 0.835 1.00 43.00 C ATOM 782 O VAL A 49 -2.439 13.051 1.592 1.00 32.13 O ATOM 783 CB VAL A 49 -0.593 10.651 0.826 1.00 45.33 C ATOM 784 CG1 VAL A 49 0.673 9.803 0.728 1.00 23.52 C ATOM 785 CG2 VAL A 49 -1.536 10.079 1.882 1.00 51.24 C ATOM 0 H VAL A 49 -0.519 12.160 3.227 1.00 23.43 H new ATOM 0 HA VAL A 49 0.578 12.440 0.495 1.00 51.42 H new ATOM 0 HB VAL A 49 -1.099 10.623 -0.139 1.00 45.33 H new ATOM 0 HG11 VAL A 49 0.403 8.770 0.509 1.00 23.52 H new ATOM 0 HG12 VAL A 49 1.309 10.189 -0.069 1.00 23.52 H new ATOM 0 HG13 VAL A 49 1.213 9.844 1.674 1.00 23.52 H new ATOM 0 HG21 VAL A 49 -1.764 9.040 1.642 1.00 51.24 H new ATOM 0 HG22 VAL A 49 -1.059 10.129 2.861 1.00 51.24 H new ATOM 0 HG23 VAL A 49 -2.459 10.659 1.898 1.00 51.24 H new ATOM 795 N PRO A 50 -1.417 13.797 -0.278 1.00 72.14 N ATOM 796 CA PRO A 50 -2.474 14.761 -0.637 1.00 5.52 C ATOM 797 C PRO A 50 -3.735 14.117 -1.242 1.00 31.31 C ATOM 798 O PRO A 50 -3.685 13.034 -1.831 1.00 74.01 O ATOM 799 CB PRO A 50 -1.776 15.654 -1.668 1.00 22.24 C ATOM 800 CG PRO A 50 -0.795 14.749 -2.334 1.00 52.25 C ATOM 801 CD PRO A 50 -0.321 13.789 -1.271 1.00 71.53 C ATOM 0 HA PRO A 50 -2.852 15.284 0.242 1.00 5.52 H new ATOM 0 HB2 PRO A 50 -2.487 16.066 -2.384 1.00 22.24 H new ATOM 0 HB3 PRO A 50 -1.278 16.498 -1.191 1.00 22.24 H new ATOM 0 HG2 PRO A 50 -1.259 14.214 -3.163 1.00 52.25 H new ATOM 0 HG3 PRO A 50 0.039 15.316 -2.747 1.00 52.25 H new ATOM 0 HD2 PRO A 50 -0.156 12.791 -1.677 1.00 71.53 H new ATOM 0 HD3 PRO A 50 0.621 14.113 -0.830 1.00 71.53 H new ATOM 809 N GLU A 51 -4.864 14.816 -1.112 1.00 65.34 N ATOM 810 CA GLU A 51 -6.158 14.315 -1.590 1.00 24.14 C ATOM 811 C GLU A 51 -6.214 14.202 -3.126 1.00 20.01 C ATOM 812 O GLU A 51 -6.724 13.219 -3.660 1.00 31.55 O ATOM 813 CB GLU A 51 -7.291 15.221 -1.086 1.00 32.20 C ATOM 814 CG GLU A 51 -7.151 16.681 -1.506 1.00 12.50 C ATOM 815 CD GLU A 51 -8.288 17.550 -0.994 1.00 40.11 C ATOM 816 OE1 GLU A 51 -8.202 18.047 0.149 1.00 71.25 O ATOM 817 OE2 GLU A 51 -9.274 17.737 -1.734 1.00 30.43 O ATOM 0 H GLU A 51 -4.910 15.737 -0.677 1.00 65.34 H new ATOM 0 HA GLU A 51 -6.284 13.310 -1.188 1.00 24.14 H new ATOM 0 HB2 GLU A 51 -8.242 14.837 -1.456 1.00 32.20 H new ATOM 0 HB3 GLU A 51 -7.328 15.168 0.002 1.00 32.20 H new ATOM 0 HG2 GLU A 51 -6.204 17.073 -1.134 1.00 12.50 H new ATOM 0 HG3 GLU A 51 -7.115 16.740 -2.594 1.00 12.50 H new ATOM 824 N GLN A 52 -5.674 15.198 -3.833 1.00 22.34 N ATOM 825 CA GLN A 52 -5.706 15.208 -5.305 1.00 70.13 C ATOM 826 C GLN A 52 -5.005 13.974 -5.910 1.00 10.41 C ATOM 827 O GLN A 52 -5.327 13.548 -7.017 1.00 4.12 O ATOM 828 CB GLN A 52 -5.066 16.496 -5.851 1.00 4.03 C ATOM 829 CG GLN A 52 -3.585 16.653 -5.511 1.00 0.30 C ATOM 830 CD GLN A 52 -2.942 17.845 -6.203 1.00 44.13 C ATOM 831 OE1 GLN A 52 -3.593 18.845 -6.482 1.00 53.04 O ATOM 832 NE2 GLN A 52 -1.656 17.750 -6.485 1.00 64.13 N ATOM 0 H GLN A 52 -5.211 16.006 -3.416 1.00 22.34 H new ATOM 0 HA GLN A 52 -6.754 15.172 -5.602 1.00 70.13 H new ATOM 0 HB2 GLN A 52 -5.182 16.515 -6.935 1.00 4.03 H new ATOM 0 HB3 GLN A 52 -5.611 17.354 -5.457 1.00 4.03 H new ATOM 0 HG2 GLN A 52 -3.475 16.763 -4.432 1.00 0.30 H new ATOM 0 HG3 GLN A 52 -3.054 15.744 -5.795 1.00 0.30 H new ATOM 0 HE21 GLN A 52 -1.141 16.904 -6.240 1.00 64.13 H new ATOM 0 HE22 GLN A 52 -1.177 18.522 -6.948 1.00 64.13 H new ATOM 841 N VAL A 53 -4.049 13.407 -5.175 1.00 70.31 N ATOM 842 CA VAL A 53 -3.300 12.231 -5.649 1.00 53.03 C ATOM 843 C VAL A 53 -3.865 10.919 -5.058 1.00 22.54 C ATOM 844 O VAL A 53 -3.449 9.820 -5.437 1.00 23.12 O ATOM 845 CB VAL A 53 -1.790 12.362 -5.309 1.00 33.23 C ATOM 846 CG1 VAL A 53 -0.980 11.213 -5.913 1.00 2.03 C ATOM 847 CG2 VAL A 53 -1.246 13.710 -5.787 1.00 12.24 C ATOM 0 H VAL A 53 -3.771 13.738 -4.251 1.00 70.31 H new ATOM 0 HA VAL A 53 -3.415 12.191 -6.732 1.00 53.03 H new ATOM 0 HB VAL A 53 -1.688 12.309 -4.225 1.00 33.23 H new ATOM 0 HG11 VAL A 53 0.072 11.335 -5.656 1.00 2.03 H new ATOM 0 HG12 VAL A 53 -1.342 10.265 -5.517 1.00 2.03 H new ATOM 0 HG13 VAL A 53 -1.092 11.220 -6.997 1.00 2.03 H new ATOM 0 HG21 VAL A 53 -0.187 13.783 -5.540 1.00 12.24 H new ATOM 0 HG22 VAL A 53 -1.373 13.792 -6.866 1.00 12.24 H new ATOM 0 HG23 VAL A 53 -1.790 14.517 -5.296 1.00 12.24 H new ATOM 857 N ARG A 54 -4.839 11.038 -4.148 1.00 21.11 N ATOM 858 CA ARG A 54 -5.483 9.863 -3.533 1.00 61.11 C ATOM 859 C ARG A 54 -6.003 8.894 -4.606 1.00 31.13 C ATOM 860 O ARG A 54 -5.878 7.678 -4.466 1.00 32.23 O ATOM 861 CB ARG A 54 -6.646 10.303 -2.628 1.00 71.12 C ATOM 862 CG ARG A 54 -7.412 9.145 -1.985 1.00 24.33 C ATOM 863 CD ARG A 54 -6.534 8.341 -1.029 1.00 65.31 C ATOM 864 NE ARG A 54 -6.110 9.133 0.125 1.00 3.22 N ATOM 865 CZ ARG A 54 -4.976 8.975 0.752 1.00 31.43 C ATOM 866 NH1 ARG A 54 -4.107 8.104 0.344 1.00 23.01 N ATOM 867 NH2 ARG A 54 -4.710 9.699 1.790 1.00 61.44 N ATOM 0 H ARG A 54 -5.201 11.933 -3.819 1.00 21.11 H new ATOM 0 HA ARG A 54 -4.733 9.348 -2.932 1.00 61.11 H new ATOM 0 HB2 ARG A 54 -6.255 10.947 -1.840 1.00 71.12 H new ATOM 0 HB3 ARG A 54 -7.342 10.903 -3.215 1.00 71.12 H new ATOM 0 HG2 ARG A 54 -8.274 9.536 -1.444 1.00 24.33 H new ATOM 0 HG3 ARG A 54 -7.797 8.487 -2.764 1.00 24.33 H new ATOM 0 HD2 ARG A 54 -7.082 7.464 -0.685 1.00 65.31 H new ATOM 0 HD3 ARG A 54 -5.655 7.979 -1.562 1.00 65.31 H new ATOM 0 HE ARG A 54 -6.743 9.858 0.463 1.00 3.22 H new ATOM 0 HH11 ARG A 54 -4.305 7.532 -0.477 1.00 23.01 H new ATOM 0 HH12 ARG A 54 -3.225 7.991 0.844 1.00 23.01 H new ATOM 0 HH21 ARG A 54 -5.385 10.391 2.116 1.00 61.44 H new ATOM 0 HH22 ARG A 54 -3.825 9.579 2.283 1.00 61.44 H new ATOM 881 N LYS A 55 -6.581 9.453 -5.671 1.00 12.34 N ATOM 882 CA LYS A 55 -7.077 8.663 -6.809 1.00 13.24 C ATOM 883 C LYS A 55 -6.006 7.690 -7.329 1.00 44.43 C ATOM 884 O LYS A 55 -6.253 6.491 -7.483 1.00 23.52 O ATOM 885 CB LYS A 55 -7.490 9.601 -7.953 1.00 64.35 C ATOM 886 CG LYS A 55 -8.521 10.657 -7.564 1.00 44.33 C ATOM 887 CD LYS A 55 -8.710 11.678 -8.682 1.00 53.22 C ATOM 888 CE LYS A 55 -9.719 12.759 -8.312 1.00 34.11 C ATOM 889 NZ LYS A 55 -11.095 12.215 -8.155 1.00 71.41 N ATOM 0 H LYS A 55 -6.720 10.458 -5.773 1.00 12.34 H new ATOM 0 HA LYS A 55 -7.934 8.086 -6.462 1.00 13.24 H new ATOM 0 HB2 LYS A 55 -6.600 10.103 -8.334 1.00 64.35 H new ATOM 0 HB3 LYS A 55 -7.892 9.002 -8.770 1.00 64.35 H new ATOM 0 HG2 LYS A 55 -9.473 10.176 -7.342 1.00 44.33 H new ATOM 0 HG3 LYS A 55 -8.201 11.165 -6.654 1.00 44.33 H new ATOM 0 HD2 LYS A 55 -7.751 12.142 -8.913 1.00 53.22 H new ATOM 0 HD3 LYS A 55 -9.043 11.167 -9.586 1.00 53.22 H new ATOM 0 HE2 LYS A 55 -9.411 13.238 -7.382 1.00 34.11 H new ATOM 0 HE3 LYS A 55 -9.721 13.530 -9.082 1.00 34.11 H new ATOM 0 HZ1 LYS A 55 -11.765 12.999 -8.021 1.00 71.41 H new ATOM 0 HZ2 LYS A 55 -11.356 11.679 -9.007 1.00 71.41 H new ATOM 0 HZ3 LYS A 55 -11.128 11.587 -7.327 1.00 71.41 H new ATOM 903 N GLU A 56 -4.814 8.226 -7.581 1.00 22.34 N ATOM 904 CA GLU A 56 -3.702 7.457 -8.146 1.00 60.24 C ATOM 905 C GLU A 56 -3.203 6.386 -7.165 1.00 22.41 C ATOM 906 O GLU A 56 -3.147 5.202 -7.494 1.00 11.50 O ATOM 907 CB GLU A 56 -2.552 8.407 -8.506 1.00 23.53 C ATOM 908 CG GLU A 56 -2.979 9.610 -9.345 1.00 64.21 C ATOM 909 CD GLU A 56 -3.538 9.224 -10.708 1.00 51.21 C ATOM 910 OE1 GLU A 56 -2.748 9.114 -11.670 1.00 55.54 O ATOM 911 OE2 GLU A 56 -4.769 9.047 -10.830 1.00 54.54 O ATOM 0 H GLU A 56 -4.589 9.204 -7.400 1.00 22.34 H new ATOM 0 HA GLU A 56 -4.060 6.950 -9.042 1.00 60.24 H new ATOM 0 HB2 GLU A 56 -2.088 8.765 -7.587 1.00 23.53 H new ATOM 0 HB3 GLU A 56 -1.791 7.849 -9.051 1.00 23.53 H new ATOM 0 HG2 GLU A 56 -3.732 10.177 -8.798 1.00 64.21 H new ATOM 0 HG3 GLU A 56 -2.123 10.270 -9.484 1.00 64.21 H new ATOM 918 N LEU A 57 -2.863 6.817 -5.952 1.00 41.23 N ATOM 919 CA LEU A 57 -2.336 5.918 -4.917 1.00 71.52 C ATOM 920 C LEU A 57 -3.302 4.758 -4.618 1.00 14.24 C ATOM 921 O LEU A 57 -2.896 3.596 -4.559 1.00 61.53 O ATOM 922 CB LEU A 57 -2.054 6.708 -3.631 1.00 10.52 C ATOM 923 CG LEU A 57 -1.030 7.847 -3.772 1.00 42.13 C ATOM 924 CD1 LEU A 57 -0.884 8.601 -2.454 1.00 4.40 C ATOM 925 CD2 LEU A 57 0.323 7.306 -4.243 1.00 31.31 C ATOM 0 H LEU A 57 -2.942 7.790 -5.656 1.00 41.23 H new ATOM 0 HA LEU A 57 -1.409 5.487 -5.295 1.00 71.52 H new ATOM 0 HB2 LEU A 57 -2.992 7.128 -3.269 1.00 10.52 H new ATOM 0 HB3 LEU A 57 -1.699 6.015 -2.868 1.00 10.52 H new ATOM 0 HG LEU A 57 -1.395 8.544 -4.526 1.00 42.13 H new ATOM 0 HD11 LEU A 57 -0.156 9.403 -2.572 1.00 4.40 H new ATOM 0 HD12 LEU A 57 -1.847 9.024 -2.168 1.00 4.40 H new ATOM 0 HD13 LEU A 57 -0.545 7.915 -1.678 1.00 4.40 H new ATOM 0 HD21 LEU A 57 1.032 8.129 -4.336 1.00 31.31 H new ATOM 0 HD22 LEU A 57 0.698 6.584 -3.518 1.00 31.31 H new ATOM 0 HD23 LEU A 57 0.203 6.819 -5.211 1.00 31.31 H new ATOM 937 N ALA A 58 -4.582 5.081 -4.442 1.00 51.12 N ATOM 938 CA ALA A 58 -5.598 4.069 -4.139 1.00 65.23 C ATOM 939 C ALA A 58 -5.800 3.101 -5.314 1.00 22.04 C ATOM 940 O ALA A 58 -6.057 1.913 -5.117 1.00 32.32 O ATOM 941 CB ALA A 58 -6.916 4.742 -3.764 1.00 64.32 C ATOM 0 H ALA A 58 -4.942 6.033 -4.503 1.00 51.12 H new ATOM 0 HA ALA A 58 -5.245 3.483 -3.290 1.00 65.23 H new ATOM 0 HB1 ALA A 58 -7.663 3.980 -3.541 1.00 64.32 H new ATOM 0 HB2 ALA A 58 -6.766 5.371 -2.887 1.00 64.32 H new ATOM 0 HB3 ALA A 58 -7.261 5.356 -4.596 1.00 64.32 H new ATOM 947 N LYS A 59 -5.663 3.616 -6.536 1.00 31.32 N ATOM 948 CA LYS A 59 -5.846 2.808 -7.745 1.00 70.10 C ATOM 949 C LYS A 59 -4.633 1.900 -7.999 1.00 35.12 C ATOM 950 O LYS A 59 -4.776 0.769 -8.464 1.00 10.55 O ATOM 951 CB LYS A 59 -6.077 3.718 -8.960 1.00 72.12 C ATOM 952 CG LYS A 59 -6.551 2.977 -10.209 1.00 20.03 C ATOM 953 CD LYS A 59 -6.718 3.911 -11.406 1.00 3.23 C ATOM 954 CE LYS A 59 -7.625 5.097 -11.085 1.00 62.22 C ATOM 955 NZ LYS A 59 -8.966 4.675 -10.599 1.00 21.20 N ATOM 0 H LYS A 59 -5.425 4.591 -6.716 1.00 31.32 H new ATOM 0 HA LYS A 59 -6.720 2.175 -7.594 1.00 70.10 H new ATOM 0 HB2 LYS A 59 -6.815 4.477 -8.698 1.00 72.12 H new ATOM 0 HB3 LYS A 59 -5.149 4.242 -9.191 1.00 72.12 H new ATOM 0 HG2 LYS A 59 -5.835 2.194 -10.458 1.00 20.03 H new ATOM 0 HG3 LYS A 59 -7.501 2.485 -9.999 1.00 20.03 H new ATOM 0 HD2 LYS A 59 -5.740 4.277 -11.719 1.00 3.23 H new ATOM 0 HD3 LYS A 59 -7.134 3.354 -12.245 1.00 3.23 H new ATOM 0 HE2 LYS A 59 -7.148 5.721 -10.329 1.00 62.22 H new ATOM 0 HE3 LYS A 59 -7.743 5.712 -11.977 1.00 62.22 H new ATOM 0 HZ1 LYS A 59 -9.581 5.509 -10.509 1.00 21.20 H new ATOM 0 HZ2 LYS A 59 -9.386 4.007 -11.276 1.00 21.20 H new ATOM 0 HZ3 LYS A 59 -8.870 4.214 -9.672 1.00 21.20 H new ATOM 969 N GLU A 60 -3.438 2.402 -7.698 1.00 43.32 N ATOM 970 CA GLU A 60 -2.204 1.628 -7.885 1.00 54.15 C ATOM 971 C GLU A 60 -2.183 0.384 -6.982 1.00 71.34 C ATOM 972 O GLU A 60 -1.853 -0.715 -7.427 1.00 14.32 O ATOM 973 CB GLU A 60 -0.978 2.508 -7.601 1.00 5.45 C ATOM 974 CG GLU A 60 0.363 1.823 -7.867 1.00 63.24 C ATOM 975 CD GLU A 60 0.527 1.362 -9.310 1.00 73.43 C ATOM 976 OE1 GLU A 60 0.156 2.120 -10.234 1.00 24.34 O ATOM 977 OE2 GLU A 60 1.019 0.237 -9.531 1.00 13.10 O ATOM 0 H GLU A 60 -3.293 3.340 -7.324 1.00 43.32 H new ATOM 0 HA GLU A 60 -2.171 1.293 -8.922 1.00 54.15 H new ATOM 0 HB2 GLU A 60 -1.041 3.407 -8.213 1.00 5.45 H new ATOM 0 HB3 GLU A 60 -1.009 2.829 -6.560 1.00 5.45 H new ATOM 0 HG2 GLU A 60 1.171 2.511 -7.619 1.00 63.24 H new ATOM 0 HG3 GLU A 60 0.462 0.963 -7.204 1.00 63.24 H new ATOM 984 N ALA A 61 -2.550 0.566 -5.716 1.00 14.12 N ATOM 985 CA ALA A 61 -2.617 -0.547 -4.765 1.00 23.41 C ATOM 986 C ALA A 61 -3.623 -1.624 -5.222 1.00 0.32 C ATOM 987 O ALA A 61 -3.402 -2.820 -5.013 1.00 4.51 O ATOM 988 CB ALA A 61 -2.960 -0.027 -3.378 1.00 43.42 C ATOM 0 H ALA A 61 -2.806 1.472 -5.323 1.00 14.12 H new ATOM 0 HA ALA A 61 -1.637 -1.022 -4.726 1.00 23.41 H new ATOM 0 HB1 ALA A 61 -3.008 -0.861 -2.678 1.00 43.42 H new ATOM 0 HB2 ALA A 61 -2.193 0.676 -3.053 1.00 43.42 H new ATOM 0 HB3 ALA A 61 -3.926 0.478 -3.407 1.00 43.42 H new ATOM 994 N GLU A 62 -4.726 -1.193 -5.853 1.00 22.23 N ATOM 995 CA GLU A 62 -5.672 -2.127 -6.484 1.00 44.23 C ATOM 996 C GLU A 62 -4.938 -3.025 -7.487 1.00 33.23 C ATOM 997 O GLU A 62 -5.080 -4.250 -7.461 1.00 35.12 O ATOM 998 CB GLU A 62 -6.799 -1.364 -7.205 1.00 1.00 C ATOM 999 CG GLU A 62 -7.723 -0.570 -6.286 1.00 63.05 C ATOM 1000 CD GLU A 62 -8.610 -1.449 -5.414 1.00 44.41 C ATOM 1001 OE1 GLU A 62 -9.653 -1.931 -5.905 1.00 21.22 O ATOM 1002 OE2 GLU A 62 -8.277 -1.650 -4.230 1.00 42.42 O ATOM 0 H GLU A 62 -4.984 -0.210 -5.940 1.00 22.23 H new ATOM 0 HA GLU A 62 -6.113 -2.743 -5.700 1.00 44.23 H new ATOM 0 HB2 GLU A 62 -6.352 -0.680 -7.927 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -7.398 -2.078 -7.771 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -7.120 0.074 -5.646 1.00 63.05 H new ATOM 0 HG3 GLU A 62 -8.353 0.082 -6.891 1.00 63.05 H new ATOM 1009 N ARG A 63 -4.143 -2.403 -8.360 1.00 12.23 N ATOM 1010 CA ARG A 63 -3.326 -3.139 -9.331 1.00 43.25 C ATOM 1011 C ARG A 63 -2.416 -4.143 -8.618 1.00 50.04 C ATOM 1012 O ARG A 63 -2.418 -5.331 -8.926 1.00 31.52 O ATOM 1013 CB ARG A 63 -2.457 -2.170 -10.145 1.00 22.14 C ATOM 1014 CG ARG A 63 -1.760 -2.821 -11.339 1.00 31.20 C ATOM 1015 CD ARG A 63 -0.464 -2.108 -11.722 1.00 32.11 C ATOM 1016 NE ARG A 63 -0.596 -0.653 -11.717 1.00 62.21 N ATOM 1017 CZ ARG A 63 -1.102 0.055 -12.687 1.00 62.11 C ATOM 1018 NH1 ARG A 63 -1.581 -0.516 -13.746 1.00 71.31 N ATOM 1019 NH2 ARG A 63 -1.123 1.341 -12.591 1.00 14.32 N ATOM 0 H ARG A 63 -4.047 -1.389 -8.416 1.00 12.23 H new ATOM 0 HA ARG A 63 -4.001 -3.673 -9.999 1.00 43.25 H new ATOM 0 HB2 ARG A 63 -3.080 -1.350 -10.503 1.00 22.14 H new ATOM 0 HB3 ARG A 63 -1.703 -1.734 -9.489 1.00 22.14 H new ATOM 0 HG2 ARG A 63 -1.542 -3.863 -11.104 1.00 31.20 H new ATOM 0 HG3 ARG A 63 -2.436 -2.822 -12.194 1.00 31.20 H new ATOM 0 HD2 ARG A 63 0.324 -2.399 -11.028 1.00 32.11 H new ATOM 0 HD3 ARG A 63 -0.153 -2.437 -12.714 1.00 32.11 H new ATOM 0 HE ARG A 63 -0.267 -0.153 -10.891 1.00 62.21 H new ATOM 0 HH11 ARG A 63 -1.565 -1.533 -13.829 1.00 71.31 H new ATOM 0 HH12 ARG A 63 -1.974 0.051 -14.497 1.00 71.31 H new ATOM 0 HH21 ARG A 63 -0.745 1.797 -11.760 1.00 14.32 H new ATOM 0 HH22 ARG A 63 -1.517 1.902 -13.346 1.00 14.32 H new ATOM 1033 N LEU A 64 -1.653 -3.643 -7.645 1.00 55.42 N ATOM 1034 CA LEU A 64 -0.704 -4.463 -6.876 1.00 51.01 C ATOM 1035 C LEU A 64 -1.345 -5.758 -6.357 1.00 5.34 C ATOM 1036 O LEU A 64 -0.774 -6.845 -6.483 1.00 53.23 O ATOM 1037 CB LEU A 64 -0.150 -3.647 -5.698 1.00 71.52 C ATOM 1038 CG LEU A 64 0.607 -2.368 -6.093 1.00 22.52 C ATOM 1039 CD1 LEU A 64 1.012 -1.565 -4.859 1.00 23.32 C ATOM 1040 CD2 LEU A 64 1.828 -2.707 -6.942 1.00 62.14 C ATOM 0 H LEU A 64 -1.672 -2.662 -7.365 1.00 55.42 H new ATOM 0 HA LEU A 64 0.106 -4.746 -7.548 1.00 51.01 H new ATOM 0 HB2 LEU A 64 -0.978 -3.374 -5.043 1.00 71.52 H new ATOM 0 HB3 LEU A 64 0.519 -4.283 -5.118 1.00 71.52 H new ATOM 0 HG LEU A 64 -0.065 -1.750 -6.688 1.00 22.52 H new ATOM 0 HD11 LEU A 64 1.545 -0.666 -5.169 1.00 23.32 H new ATOM 0 HD12 LEU A 64 0.120 -1.283 -4.300 1.00 23.32 H new ATOM 0 HD13 LEU A 64 1.660 -2.172 -4.227 1.00 23.32 H new ATOM 0 HD21 LEU A 64 2.350 -1.789 -7.211 1.00 62.14 H new ATOM 0 HD22 LEU A 64 2.498 -3.352 -6.374 1.00 62.14 H new ATOM 0 HD23 LEU A 64 1.509 -3.222 -7.848 1.00 62.14 H new ATOM 1052 N ALA A 65 -2.535 -5.635 -5.776 1.00 73.51 N ATOM 1053 CA ALA A 65 -3.264 -6.795 -5.262 1.00 22.32 C ATOM 1054 C ALA A 65 -3.696 -7.745 -6.393 1.00 54.33 C ATOM 1055 O ALA A 65 -3.558 -8.964 -6.278 1.00 44.23 O ATOM 1056 CB ALA A 65 -4.478 -6.339 -4.461 1.00 24.23 C ATOM 0 H ALA A 65 -3.017 -4.745 -5.648 1.00 73.51 H new ATOM 0 HA ALA A 65 -2.589 -7.348 -4.609 1.00 22.32 H new ATOM 0 HB1 ALA A 65 -5.013 -7.210 -4.083 1.00 24.23 H new ATOM 0 HB2 ALA A 65 -4.151 -5.723 -3.623 1.00 24.23 H new ATOM 0 HB3 ALA A 65 -5.140 -5.757 -5.103 1.00 24.23 H new ATOM 1062 N LYS A 66 -4.197 -7.182 -7.491 1.00 45.01 N ATOM 1063 CA LYS A 66 -4.730 -7.984 -8.602 1.00 53.42 C ATOM 1064 C LYS A 66 -3.623 -8.689 -9.403 1.00 23.34 C ATOM 1065 O LYS A 66 -3.814 -9.814 -9.865 1.00 44.35 O ATOM 1066 CB LYS A 66 -5.582 -7.104 -9.527 1.00 21.13 C ATOM 1067 CG LYS A 66 -6.758 -6.438 -8.817 1.00 14.45 C ATOM 1068 CD LYS A 66 -7.682 -7.464 -8.165 1.00 42.41 C ATOM 1069 CE LYS A 66 -8.737 -6.802 -7.288 1.00 2.23 C ATOM 1070 NZ LYS A 66 -9.598 -5.861 -8.051 1.00 72.43 N ATOM 0 H LYS A 66 -4.247 -6.174 -7.640 1.00 45.01 H new ATOM 0 HA LYS A 66 -5.354 -8.765 -8.167 1.00 53.42 H new ATOM 0 HB2 LYS A 66 -4.949 -6.333 -9.967 1.00 21.13 H new ATOM 0 HB3 LYS A 66 -5.961 -7.713 -10.348 1.00 21.13 H new ATOM 0 HG2 LYS A 66 -6.383 -5.752 -8.057 1.00 14.45 H new ATOM 0 HG3 LYS A 66 -7.324 -5.842 -9.533 1.00 14.45 H new ATOM 0 HD2 LYS A 66 -8.172 -8.055 -8.939 1.00 42.41 H new ATOM 0 HD3 LYS A 66 -7.091 -8.154 -7.563 1.00 42.41 H new ATOM 0 HE2 LYS A 66 -9.360 -7.571 -6.830 1.00 2.23 H new ATOM 0 HE3 LYS A 66 -8.246 -6.265 -6.477 1.00 2.23 H new ATOM 0 HZ1 LYS A 66 -10.362 -5.514 -7.437 1.00 72.43 H new ATOM 0 HZ2 LYS A 66 -9.026 -5.057 -8.381 1.00 72.43 H new ATOM 0 HZ3 LYS A 66 -10.009 -6.353 -8.870 1.00 72.43 H new ATOM 1084 N GLU A 67 -2.468 -8.040 -9.550 1.00 31.24 N ATOM 1085 CA GLU A 67 -1.324 -8.629 -10.271 1.00 10.32 C ATOM 1086 C GLU A 67 -0.951 -10.007 -9.699 1.00 74.21 C ATOM 1087 O GLU A 67 -0.653 -10.943 -10.441 1.00 61.53 O ATOM 1088 CB GLU A 67 -0.104 -7.694 -10.202 1.00 31.20 C ATOM 1089 CG GLU A 67 -0.304 -6.342 -10.886 1.00 33.41 C ATOM 1090 CD GLU A 67 -0.429 -6.443 -12.400 1.00 64.35 C ATOM 1091 OE1 GLU A 67 -1.560 -6.597 -12.908 1.00 44.51 O ATOM 1092 OE2 GLU A 67 0.607 -6.356 -13.093 1.00 60.22 O ATOM 0 H GLU A 67 -2.293 -7.105 -9.181 1.00 31.24 H new ATOM 0 HA GLU A 67 -1.623 -8.757 -11.312 1.00 10.32 H new ATOM 0 HB2 GLU A 67 0.149 -7.524 -9.156 1.00 31.20 H new ATOM 0 HB3 GLU A 67 0.749 -8.196 -10.659 1.00 31.20 H new ATOM 0 HG2 GLU A 67 -1.201 -5.870 -10.486 1.00 33.41 H new ATOM 0 HG3 GLU A 67 0.535 -5.691 -10.641 1.00 33.41 H new ATOM 1099 N PHE A 68 -0.971 -10.121 -8.373 1.00 52.12 N ATOM 1100 CA PHE A 68 -0.661 -11.387 -7.693 1.00 54.13 C ATOM 1101 C PHE A 68 -1.937 -12.084 -7.190 1.00 61.21 C ATOM 1102 O PHE A 68 -1.875 -13.150 -6.571 1.00 24.11 O ATOM 1103 CB PHE A 68 0.292 -11.126 -6.520 1.00 42.31 C ATOM 1104 CG PHE A 68 1.584 -10.465 -6.934 1.00 4.13 C ATOM 1105 CD1 PHE A 68 2.650 -11.225 -7.397 1.00 42.21 C ATOM 1106 CD2 PHE A 68 1.730 -9.086 -6.865 1.00 2.21 C ATOM 1107 CE1 PHE A 68 3.832 -10.622 -7.782 1.00 23.45 C ATOM 1108 CE2 PHE A 68 2.910 -8.480 -7.248 1.00 61.23 C ATOM 1109 CZ PHE A 68 3.961 -9.248 -7.707 1.00 71.10 C ATOM 0 H PHE A 68 -1.199 -9.353 -7.742 1.00 52.12 H new ATOM 0 HA PHE A 68 -0.181 -12.049 -8.414 1.00 54.13 H new ATOM 0 HB2 PHE A 68 -0.211 -10.496 -5.786 1.00 42.31 H new ATOM 0 HB3 PHE A 68 0.518 -12.072 -6.027 1.00 42.31 H new ATOM 0 HD1 PHE A 68 2.554 -12.299 -7.457 1.00 42.21 H new ATOM 0 HD2 PHE A 68 0.911 -8.480 -6.507 1.00 2.21 H new ATOM 0 HE1 PHE A 68 4.654 -11.224 -8.141 1.00 23.45 H new ATOM 0 HE2 PHE A 68 3.011 -7.406 -7.189 1.00 61.23 H new ATOM 0 HZ PHE A 68 4.884 -8.775 -8.008 1.00 71.10 H new ATOM 1119 N ASN A 69 -3.088 -11.467 -7.467 1.00 10.32 N ATOM 1120 CA ASN A 69 -4.395 -11.981 -7.036 1.00 22.31 C ATOM 1121 C ASN A 69 -4.435 -12.224 -5.517 1.00 32.23 C ATOM 1122 O ASN A 69 -4.970 -13.230 -5.038 1.00 32.41 O ATOM 1123 CB ASN A 69 -4.744 -13.256 -7.808 1.00 54.11 C ATOM 1124 CG ASN A 69 -4.822 -13.002 -9.301 1.00 2.30 C ATOM 1125 OD1 ASN A 69 -3.843 -13.154 -10.025 1.00 21.24 O ATOM 1126 ND2 ASN A 69 -5.986 -12.609 -9.776 1.00 34.25 N ATOM 0 H ASN A 69 -3.143 -10.597 -7.996 1.00 10.32 H new ATOM 0 HA ASN A 69 -5.146 -11.224 -7.260 1.00 22.31 H new ATOM 0 HB2 ASN A 69 -3.993 -14.020 -7.607 1.00 54.11 H new ATOM 0 HB3 ASN A 69 -5.698 -13.646 -7.455 1.00 54.11 H new ATOM 0 HD21 ASN A 69 -6.093 -12.421 -10.773 1.00 34.25 H new ATOM 0 HD22 ASN A 69 -6.780 -12.492 -9.147 1.00 34.25 H new ATOM 1133 N ILE A 70 -3.870 -11.280 -4.769 1.00 25.34 N ATOM 1134 CA ILE A 70 -3.861 -11.332 -3.304 1.00 1.14 C ATOM 1135 C ILE A 70 -4.894 -10.360 -2.703 1.00 61.24 C ATOM 1136 O ILE A 70 -5.458 -9.520 -3.405 1.00 72.05 O ATOM 1137 CB ILE A 70 -2.454 -11.002 -2.738 1.00 0.31 C ATOM 1138 CG1 ILE A 70 -2.022 -9.579 -3.138 1.00 1.02 C ATOM 1139 CG2 ILE A 70 -1.430 -12.034 -3.215 1.00 2.14 C ATOM 1140 CD1 ILE A 70 -0.676 -9.160 -2.580 1.00 61.14 C ATOM 0 H ILE A 70 -3.406 -10.459 -5.157 1.00 25.34 H new ATOM 0 HA ILE A 70 -4.127 -12.350 -3.021 1.00 1.14 H new ATOM 0 HB ILE A 70 -2.504 -11.045 -1.650 1.00 0.31 H new ATOM 0 HG12 ILE A 70 -1.989 -9.513 -4.226 1.00 1.02 H new ATOM 0 HG13 ILE A 70 -2.780 -8.872 -2.799 1.00 1.02 H new ATOM 0 HG21 ILE A 70 -0.449 -11.788 -2.809 1.00 2.14 H new ATOM 0 HG22 ILE A 70 -1.726 -13.026 -2.872 1.00 2.14 H new ATOM 0 HG23 ILE A 70 -1.385 -12.025 -4.304 1.00 2.14 H new ATOM 0 HD11 ILE A 70 -0.446 -8.146 -2.908 1.00 61.14 H new ATOM 0 HD12 ILE A 70 -0.708 -9.191 -1.491 1.00 61.14 H new ATOM 0 HD13 ILE A 70 0.095 -9.842 -2.939 1.00 61.14 H new ATOM 1152 N THR A 71 -5.134 -10.474 -1.401 1.00 44.31 N ATOM 1153 CA THR A 71 -6.118 -9.625 -0.705 1.00 34.35 C ATOM 1154 C THR A 71 -5.487 -8.311 -0.214 1.00 13.52 C ATOM 1155 O THR A 71 -4.301 -8.269 0.116 1.00 12.34 O ATOM 1156 CB THR A 71 -6.737 -10.374 0.503 1.00 33.53 C ATOM 1157 OG1 THR A 71 -7.319 -11.613 0.066 1.00 22.21 O ATOM 1158 CG2 THR A 71 -7.805 -9.531 1.197 1.00 62.51 C ATOM 0 H THR A 71 -4.663 -11.147 -0.796 1.00 44.31 H new ATOM 0 HA THR A 71 -6.900 -9.389 -1.427 1.00 34.35 H new ATOM 0 HB THR A 71 -5.937 -10.570 1.217 1.00 33.53 H new ATOM 0 HG1 THR A 71 -7.707 -12.081 0.835 1.00 22.21 H new ATOM 0 HG21 THR A 71 -8.217 -10.087 2.039 1.00 62.51 H new ATOM 0 HG22 THR A 71 -7.359 -8.604 1.558 1.00 62.51 H new ATOM 0 HG23 THR A 71 -8.602 -9.299 0.490 1.00 62.51 H new ATOM 1166 N VAL A 72 -6.280 -7.236 -0.163 1.00 73.41 N ATOM 1167 CA VAL A 72 -5.783 -5.934 0.307 1.00 32.11 C ATOM 1168 C VAL A 72 -6.882 -5.115 1.010 1.00 64.22 C ATOM 1169 O VAL A 72 -8.023 -5.048 0.545 1.00 3.22 O ATOM 1170 CB VAL A 72 -5.185 -5.104 -0.863 1.00 11.11 C ATOM 1171 CG1 VAL A 72 -6.254 -4.756 -1.899 1.00 23.15 C ATOM 1172 CG2 VAL A 72 -4.496 -3.843 -0.339 1.00 11.21 C ATOM 0 H VAL A 72 -7.262 -7.238 -0.439 1.00 73.41 H new ATOM 0 HA VAL A 72 -4.998 -6.147 1.033 1.00 32.11 H new ATOM 0 HB VAL A 72 -4.433 -5.719 -1.359 1.00 11.11 H new ATOM 0 HG11 VAL A 72 -5.805 -4.175 -2.705 1.00 23.15 H new ATOM 0 HG12 VAL A 72 -6.678 -5.674 -2.306 1.00 23.15 H new ATOM 0 HG13 VAL A 72 -7.042 -4.170 -1.426 1.00 23.15 H new ATOM 0 HG21 VAL A 72 -4.085 -3.278 -1.176 1.00 11.21 H new ATOM 0 HG22 VAL A 72 -5.221 -3.227 0.194 1.00 11.21 H new ATOM 0 HG23 VAL A 72 -3.690 -4.124 0.339 1.00 11.21 H new ATOM 1182 N THR A 73 -6.534 -4.504 2.141 1.00 72.20 N ATOM 1183 CA THR A 73 -7.464 -3.639 2.888 1.00 12.41 C ATOM 1184 C THR A 73 -6.937 -2.199 2.971 1.00 20.11 C ATOM 1185 O THR A 73 -5.725 -1.976 3.044 1.00 44.10 O ATOM 1186 CB THR A 73 -7.706 -4.163 4.326 1.00 50.21 C ATOM 1187 OG1 THR A 73 -6.475 -4.171 5.063 1.00 31.32 O ATOM 1188 CG2 THR A 73 -8.299 -5.570 4.313 1.00 24.12 C ATOM 0 H THR A 73 -5.611 -4.589 2.567 1.00 72.20 H new ATOM 0 HA THR A 73 -8.407 -3.653 2.341 1.00 12.41 H new ATOM 0 HB THR A 73 -8.418 -3.493 4.807 1.00 50.21 H new ATOM 0 HG1 THR A 73 -6.639 -4.502 5.971 1.00 31.32 H new ATOM 0 HG21 THR A 73 -8.456 -5.908 5.337 1.00 24.12 H new ATOM 0 HG22 THR A 73 -9.252 -5.558 3.784 1.00 24.12 H new ATOM 0 HG23 THR A 73 -7.612 -6.250 3.808 1.00 24.12 H new ATOM 1196 N TYR A 74 -7.847 -1.221 2.963 1.00 75.42 N ATOM 1197 CA TYR A 74 -7.462 0.198 2.987 1.00 74.11 C ATOM 1198 C TYR A 74 -8.080 0.947 4.175 1.00 21.34 C ATOM 1199 O TYR A 74 -9.258 0.774 4.494 1.00 14.43 O ATOM 1200 CB TYR A 74 -7.888 0.890 1.687 1.00 10.42 C ATOM 1201 CG TYR A 74 -7.296 0.269 0.443 1.00 4.34 C ATOM 1202 CD1 TYR A 74 -7.892 -0.836 -0.156 1.00 42.55 C ATOM 1203 CD2 TYR A 74 -6.141 0.784 -0.133 1.00 22.22 C ATOM 1204 CE1 TYR A 74 -7.356 -1.407 -1.287 1.00 73.33 C ATOM 1205 CE2 TYR A 74 -5.600 0.215 -1.266 1.00 42.12 C ATOM 1206 CZ TYR A 74 -6.212 -0.880 -1.839 1.00 11.32 C ATOM 1207 OH TYR A 74 -5.678 -1.448 -2.971 1.00 1.22 O ATOM 0 H TYR A 74 -8.854 -1.382 2.940 1.00 75.42 H new ATOM 0 HA TYR A 74 -6.377 0.227 3.091 1.00 74.11 H new ATOM 0 HB2 TYR A 74 -8.975 0.865 1.612 1.00 10.42 H new ATOM 0 HB3 TYR A 74 -7.596 1.939 1.732 1.00 10.42 H new ATOM 0 HD1 TYR A 74 -8.791 -1.253 0.274 1.00 42.55 H new ATOM 0 HD2 TYR A 74 -5.660 1.642 0.313 1.00 22.22 H new ATOM 0 HE1 TYR A 74 -7.831 -2.265 -1.739 1.00 73.33 H new ATOM 0 HE2 TYR A 74 -4.701 0.625 -1.703 1.00 42.12 H new ATOM 0 HH TYR A 74 -6.395 -1.634 -3.613 1.00 1.22 H new ATOM 1217 N THR A 75 -7.278 1.793 4.811 1.00 3.22 N ATOM 1218 CA THR A 75 -7.754 2.689 5.870 1.00 23.31 C ATOM 1219 C THR A 75 -7.157 4.090 5.679 1.00 55.24 C ATOM 1220 O THR A 75 -5.970 4.312 5.920 1.00 30.13 O ATOM 1221 CB THR A 75 -7.394 2.158 7.285 1.00 10.12 C ATOM 1222 OG1 THR A 75 -8.024 0.887 7.510 1.00 22.30 O ATOM 1223 CG2 THR A 75 -7.827 3.138 8.373 1.00 2.24 C ATOM 0 H THR A 75 -6.282 1.881 4.611 1.00 3.22 H new ATOM 0 HA THR A 75 -8.841 2.735 5.796 1.00 23.31 H new ATOM 0 HB THR A 75 -6.311 2.046 7.332 1.00 10.12 H new ATOM 0 HG1 THR A 75 -7.790 0.560 8.404 1.00 22.30 H new ATOM 0 HG21 THR A 75 -7.561 2.737 9.351 1.00 2.24 H new ATOM 0 HG22 THR A 75 -7.324 4.093 8.223 1.00 2.24 H new ATOM 0 HG23 THR A 75 -8.906 3.284 8.322 1.00 2.24 H new ATOM 1231 N ILE A 76 -7.973 5.028 5.212 1.00 3.53 N ATOM 1232 CA ILE A 76 -7.508 6.396 4.955 1.00 64.51 C ATOM 1233 C ILE A 76 -7.928 7.341 6.088 1.00 20.30 C ATOM 1234 O ILE A 76 -9.096 7.718 6.191 1.00 11.52 O ATOM 1235 CB ILE A 76 -8.068 6.934 3.613 1.00 64.04 C ATOM 1236 CG1 ILE A 76 -7.748 5.961 2.464 1.00 41.34 C ATOM 1237 CG2 ILE A 76 -7.512 8.325 3.311 1.00 42.31 C ATOM 1238 CD1 ILE A 76 -6.268 5.731 2.240 1.00 44.24 C ATOM 0 H ILE A 76 -8.959 4.872 5.002 1.00 3.53 H new ATOM 0 HA ILE A 76 -6.420 6.361 4.900 1.00 64.51 H new ATOM 0 HB ILE A 76 -9.151 7.014 3.704 1.00 64.04 H new ATOM 0 HG12 ILE A 76 -8.226 5.003 2.670 1.00 41.34 H new ATOM 0 HG13 ILE A 76 -8.188 6.346 1.544 1.00 41.34 H new ATOM 0 HG21 ILE A 76 -7.919 8.682 2.365 1.00 42.31 H new ATOM 0 HG22 ILE A 76 -7.795 9.011 4.109 1.00 42.31 H new ATOM 0 HG23 ILE A 76 -6.425 8.276 3.243 1.00 42.31 H new ATOM 0 HD11 ILE A 76 -6.129 5.034 1.414 1.00 44.24 H new ATOM 0 HD12 ILE A 76 -5.785 6.678 2.001 1.00 44.24 H new ATOM 0 HD13 ILE A 76 -5.823 5.315 3.144 1.00 44.24 H new ATOM 1250 N ARG A 77 -6.976 7.725 6.935 1.00 65.23 N ATOM 1251 CA ARG A 77 -7.275 8.603 8.072 1.00 62.00 C ATOM 1252 C ARG A 77 -7.339 10.082 7.635 1.00 21.23 C ATOM 1253 O ARG A 77 -6.317 10.741 7.432 1.00 54.04 O ATOM 1254 CB ARG A 77 -6.243 8.397 9.201 1.00 44.34 C ATOM 1255 CG ARG A 77 -4.806 8.758 8.827 1.00 42.41 C ATOM 1256 CD ARG A 77 -3.829 8.471 9.965 1.00 2.42 C ATOM 1257 NE ARG A 77 -3.519 7.047 10.084 1.00 15.13 N ATOM 1258 CZ ARG A 77 -2.777 6.537 11.027 1.00 12.35 C ATOM 1259 NH1 ARG A 77 -2.260 7.288 11.940 1.00 64.40 N ATOM 1260 NH2 ARG A 77 -2.526 5.273 11.040 1.00 51.53 N ATOM 0 H ARG A 77 -5.998 7.447 6.860 1.00 65.23 H new ATOM 0 HA ARG A 77 -8.258 8.335 8.458 1.00 62.00 H new ATOM 0 HB2 ARG A 77 -6.541 8.996 10.061 1.00 44.34 H new ATOM 0 HB3 ARG A 77 -6.271 7.353 9.514 1.00 44.34 H new ATOM 0 HG2 ARG A 77 -4.509 8.194 7.943 1.00 42.41 H new ATOM 0 HG3 ARG A 77 -4.755 9.814 8.563 1.00 42.41 H new ATOM 0 HD2 ARG A 77 -2.907 9.029 9.799 1.00 2.42 H new ATOM 0 HD3 ARG A 77 -4.253 8.828 10.904 1.00 2.42 H new ATOM 0 HE ARG A 77 -3.907 6.413 9.386 1.00 15.13 H new ATOM 0 HH11 ARG A 77 -2.430 8.294 11.930 1.00 64.40 H new ATOM 0 HH12 ARG A 77 -1.681 6.876 12.672 1.00 64.40 H new ATOM 0 HH21 ARG A 77 -2.908 4.670 10.312 1.00 51.53 H new ATOM 0 HH22 ARG A 77 -1.945 4.876 11.779 1.00 51.53 H new