USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 52 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 90:sc= 1.07 USER MOD Set 2.1: A 42 ASN : amide:sc= -0.114 K(o=-0.21,f=-2.6) USER MOD Set 2.2: A 54 LYS NZ :NH3+ -120:sc= -0.0938 (180deg=0) USER MOD Set 3.1: A 47 MET CE :methyl -165:sc=-0.00576 (180deg=-0.25) USER MOD Set 3.2: A 50 CYS SG : rot 19:sc= 0.208 USER MOD Set 4.1: A 43 LYS NZ :NH3+ -174:sc= 1.16 (180deg=0.45) USER MOD Set 4.2: A 51 TYR OH : rot 50:sc= 0.305 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.12) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 1.1 (180deg=0.842) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 25 GLN : amide:sc= -0.857 K(o=-0.86,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00593) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 0.627 (180deg=-0.443) USER MOD Single : A 36 SER OG : rot -1:sc= 0.487 USER MOD Single : A 57 SER OG : rot -24:sc= 0.322 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 10:sc= -1.26 USER MOD Single : A 65 GLN : amide:sc= -0.872 K(o=-0.87,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -40:sc= -0.0477 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00264) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 10.477 12.297 -4.144 1.00 0.00 N ATOM 19 CA ALA A 2 9.206 11.670 -4.399 1.00 0.00 C ATOM 20 C ALA A 2 9.470 10.342 -5.055 1.00 0.00 C ATOM 21 O ALA A 2 10.590 10.084 -5.508 1.00 0.00 O ATOM 22 CB ALA A 2 8.319 12.536 -5.278 1.00 0.00 C ATOM 0 HA ALA A 2 8.673 11.532 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.369 12.029 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.138 13.490 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.813 12.711 -6.234 1.00 0.00 H new ATOM 28 N TYR A 3 8.485 9.503 -5.103 1.00 0.00 N ATOM 29 CA TYR A 3 8.647 8.178 -5.655 1.00 0.00 C ATOM 30 C TYR A 3 7.494 7.881 -6.569 1.00 0.00 C ATOM 31 O TYR A 3 6.500 8.620 -6.579 1.00 0.00 O ATOM 32 CB TYR A 3 8.692 7.122 -4.528 1.00 0.00 C ATOM 33 CG TYR A 3 9.844 7.280 -3.557 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.771 8.185 -2.509 1.00 0.00 C ATOM 35 CD2 TYR A 3 11.008 6.538 -3.699 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.814 8.349 -1.633 1.00 0.00 C ATOM 37 CE2 TYR A 3 12.064 6.699 -2.822 1.00 0.00 C ATOM 38 CZ TYR A 3 11.957 7.610 -1.790 1.00 0.00 C ATOM 39 OH TYR A 3 12.995 7.780 -0.907 1.00 0.00 O ATOM 0 H TYR A 3 7.545 9.707 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 3 9.585 8.138 -6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.756 7.166 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.748 6.131 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.874 8.773 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.090 5.825 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.734 9.058 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.966 6.117 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 3 13.733 7.184 -1.151 1.00 0.00 H new ATOM 49 N PHE A 4 7.622 6.839 -7.338 1.00 0.00 N ATOM 50 CA PHE A 4 6.543 6.390 -8.176 1.00 0.00 C ATOM 51 C PHE A 4 5.601 5.570 -7.322 1.00 0.00 C ATOM 52 O PHE A 4 5.996 5.079 -6.278 1.00 0.00 O ATOM 53 CB PHE A 4 7.072 5.535 -9.336 1.00 0.00 C ATOM 54 CG PHE A 4 7.967 6.265 -10.290 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.438 7.159 -11.203 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.335 6.056 -10.276 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.255 7.833 -12.083 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.158 6.726 -11.155 1.00 0.00 C ATOM 59 CZ PHE A 4 9.617 7.615 -12.060 1.00 0.00 C ATOM 0 H PHE A 4 8.471 6.278 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 4 6.027 7.250 -8.604 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.617 4.685 -8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.224 5.132 -9.890 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.372 7.330 -11.226 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.762 5.360 -9.569 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.830 8.531 -12.790 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.224 6.555 -11.135 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.260 8.141 -12.751 1.00 0.00 H new ATOM 69 N LEU A 5 4.382 5.441 -7.729 1.00 0.00 N ATOM 70 CA LEU A 5 3.428 4.641 -6.991 1.00 0.00 C ATOM 71 C LEU A 5 2.851 3.635 -7.960 1.00 0.00 C ATOM 72 O LEU A 5 2.315 4.022 -9.003 1.00 0.00 O ATOM 73 CB LEU A 5 2.316 5.558 -6.403 1.00 0.00 C ATOM 74 CG LEU A 5 1.372 4.989 -5.293 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.517 3.825 -5.761 1.00 0.00 C ATOM 76 CD2 LEU A 5 2.155 4.604 -4.053 1.00 0.00 C ATOM 0 H LEU A 5 4.010 5.877 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 5 3.901 4.126 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.802 6.446 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.689 5.887 -7.231 1.00 0.00 H new ATOM 0 HG LEU A 5 0.686 5.799 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.112 3.482 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.113 4.147 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.161 3.009 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.473 4.212 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.890 3.841 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.666 5.482 -3.658 1.00 0.00 H new ATOM 88 N ASP A 6 2.973 2.368 -7.658 1.00 0.00 N ATOM 89 CA ASP A 6 2.436 1.352 -8.533 1.00 0.00 C ATOM 90 C ASP A 6 1.814 0.241 -7.695 1.00 0.00 C ATOM 91 O ASP A 6 1.999 0.213 -6.479 1.00 0.00 O ATOM 92 CB ASP A 6 3.511 0.824 -9.492 1.00 0.00 C ATOM 93 CG ASP A 6 2.910 0.263 -10.757 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.708 1.038 -11.730 1.00 0.00 O ATOM 95 OD2 ASP A 6 2.595 -0.925 -10.805 1.00 0.00 O ATOM 0 H ASP A 6 3.435 2.015 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 6 1.655 1.787 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.200 1.630 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.094 0.050 -8.993 1.00 0.00 H new ATOM 100 N PHE A 7 1.092 -0.657 -8.317 1.00 0.00 N ATOM 101 CA PHE A 7 0.335 -1.675 -7.599 1.00 0.00 C ATOM 102 C PHE A 7 0.634 -3.044 -8.177 1.00 0.00 C ATOM 103 O PHE A 7 0.889 -3.164 -9.383 1.00 0.00 O ATOM 104 CB PHE A 7 -1.187 -1.450 -7.778 1.00 0.00 C ATOM 105 CG PHE A 7 -1.757 -0.123 -7.331 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.661 1.001 -8.138 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.422 -0.014 -6.124 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.206 2.205 -7.746 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.975 1.187 -5.726 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.867 2.296 -6.537 1.00 0.00 C ATOM 0 H PHE A 7 1.007 -0.711 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 7 0.618 -1.612 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.423 -1.578 -8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.709 -2.239 -7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.152 0.932 -9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.510 -0.879 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.116 3.073 -8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.492 1.257 -4.780 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.299 3.236 -6.227 1.00 0.00 H new ATOM 120 N ASP A 8 0.604 -4.071 -7.342 1.00 0.00 N ATOM 121 CA ASP A 8 0.669 -5.450 -7.842 1.00 0.00 C ATOM 122 C ASP A 8 -0.601 -5.708 -8.646 1.00 0.00 C ATOM 123 O ASP A 8 -1.624 -5.042 -8.412 1.00 0.00 O ATOM 124 CB ASP A 8 0.770 -6.474 -6.684 1.00 0.00 C ATOM 125 CG ASP A 8 0.871 -7.915 -7.183 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.003 -8.376 -7.498 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.167 -8.593 -7.306 1.00 0.00 O ATOM 0 H ASP A 8 0.536 -3.987 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 8 1.560 -5.570 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.643 -6.242 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.104 -6.376 -6.040 1.00 0.00 H new ATOM 132 N GLU A 9 -0.558 -6.628 -9.585 1.00 0.00 N ATOM 133 CA GLU A 9 -1.715 -6.902 -10.412 1.00 0.00 C ATOM 134 C GLU A 9 -2.912 -7.394 -9.565 1.00 0.00 C ATOM 135 O GLU A 9 -4.065 -7.069 -9.861 1.00 0.00 O ATOM 136 CB GLU A 9 -1.347 -7.835 -11.584 1.00 0.00 C ATOM 137 CG GLU A 9 -0.932 -9.256 -11.217 1.00 0.00 C ATOM 138 CD GLU A 9 -2.051 -10.240 -11.442 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.307 -10.590 -12.617 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.692 -10.687 -10.479 1.00 0.00 O ATOM 0 H GLU A 9 0.262 -7.197 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.050 -5.970 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.203 -7.892 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.532 -7.375 -12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.066 -9.547 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.625 -9.287 -10.172 1.00 0.00 H new ATOM 147 N ARG A 10 -2.627 -8.114 -8.474 1.00 0.00 N ATOM 148 CA ARG A 10 -3.675 -8.540 -7.560 1.00 0.00 C ATOM 149 C ARG A 10 -4.192 -7.381 -6.754 1.00 0.00 C ATOM 150 O ARG A 10 -5.383 -7.322 -6.424 1.00 0.00 O ATOM 151 CB ARG A 10 -3.238 -9.661 -6.645 1.00 0.00 C ATOM 152 CG ARG A 10 -3.105 -10.998 -7.326 1.00 0.00 C ATOM 153 CD ARG A 10 -2.803 -12.074 -6.316 1.00 0.00 C ATOM 154 NE ARG A 10 -3.888 -12.189 -5.326 1.00 0.00 N ATOM 155 CZ ARG A 10 -3.706 -12.428 -4.030 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.502 -12.720 -3.577 1.00 0.00 N ATOM 157 NH2 ARG A 10 -4.735 -12.398 -3.191 1.00 0.00 N ATOM 0 H ARG A 10 -1.687 -8.408 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.481 -8.930 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.280 -9.397 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.956 -9.751 -5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.027 -11.237 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.310 -10.956 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.668 -13.028 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.865 -11.848 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.846 -12.078 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.712 -12.762 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.362 -12.903 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.671 -12.191 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.589 -12.582 -2.198 1.00 0.00 H new ATOM 171 N ALA A 11 -3.302 -6.463 -6.437 1.00 0.00 N ATOM 172 CA ALA A 11 -3.667 -5.266 -5.714 1.00 0.00 C ATOM 173 C ALA A 11 -4.613 -4.407 -6.554 1.00 0.00 C ATOM 174 O ALA A 11 -5.526 -3.813 -6.018 1.00 0.00 O ATOM 175 CB ALA A 11 -2.432 -4.478 -5.288 1.00 0.00 C ATOM 0 H ALA A 11 -2.312 -6.526 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.190 -5.561 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.740 -3.584 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.810 -5.097 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.862 -4.189 -6.171 1.00 0.00 H new ATOM 181 N LEU A 12 -4.414 -4.396 -7.879 1.00 0.00 N ATOM 182 CA LEU A 12 -5.279 -3.648 -8.790 1.00 0.00 C ATOM 183 C LEU A 12 -6.665 -4.238 -8.822 1.00 0.00 C ATOM 184 O LEU A 12 -7.665 -3.512 -8.776 1.00 0.00 O ATOM 185 CB LEU A 12 -4.709 -3.623 -10.204 1.00 0.00 C ATOM 186 CG LEU A 12 -3.537 -2.688 -10.462 1.00 0.00 C ATOM 187 CD1 LEU A 12 -3.027 -2.881 -11.879 1.00 0.00 C ATOM 188 CD2 LEU A 12 -3.966 -1.233 -10.255 1.00 0.00 C ATOM 0 H LEU A 12 -3.657 -4.900 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.332 -2.626 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.397 -4.635 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.514 -3.354 -10.888 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.737 -2.921 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.188 -2.209 -12.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.700 -3.913 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.826 -2.660 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.119 -0.574 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.774 -0.990 -10.945 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.311 -1.098 -9.230 1.00 0.00 H new ATOM 200 N LYS A 13 -6.718 -5.554 -8.882 1.00 0.00 N ATOM 201 CA LYS A 13 -7.974 -6.277 -8.903 1.00 0.00 C ATOM 202 C LYS A 13 -8.781 -5.969 -7.649 1.00 0.00 C ATOM 203 O LYS A 13 -9.978 -5.684 -7.732 1.00 0.00 O ATOM 204 CB LYS A 13 -7.699 -7.771 -8.994 1.00 0.00 C ATOM 205 CG LYS A 13 -7.041 -8.211 -10.290 1.00 0.00 C ATOM 206 CD LYS A 13 -6.492 -9.612 -10.148 1.00 0.00 C ATOM 207 CE LYS A 13 -5.889 -10.130 -11.435 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.170 -11.407 -11.223 1.00 0.00 N ATOM 0 H LYS A 13 -5.892 -6.152 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.552 -5.964 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.061 -8.062 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.640 -8.309 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.765 -8.177 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.237 -7.522 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.734 -9.624 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.291 -10.282 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.676 -10.273 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.202 -9.387 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.020 -11.877 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.250 -11.217 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.734 -12.024 -10.605 1.00 0.00 H new ATOM 222 N GLU A 14 -8.108 -5.979 -6.498 1.00 0.00 N ATOM 223 CA GLU A 14 -8.731 -5.641 -5.242 1.00 0.00 C ATOM 224 C GLU A 14 -9.083 -4.165 -5.150 1.00 0.00 C ATOM 225 O GLU A 14 -10.113 -3.818 -4.636 1.00 0.00 O ATOM 226 CB GLU A 14 -7.867 -6.078 -4.086 1.00 0.00 C ATOM 227 CG GLU A 14 -7.751 -7.578 -4.005 1.00 0.00 C ATOM 228 CD GLU A 14 -9.090 -8.242 -3.737 1.00 0.00 C ATOM 229 OE1 GLU A 14 -9.470 -8.416 -2.552 1.00 0.00 O ATOM 230 OE2 GLU A 14 -9.783 -8.605 -4.693 1.00 0.00 O ATOM 0 H GLU A 14 -7.120 -6.222 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.674 -6.186 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.873 -5.642 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.286 -5.696 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.338 -7.960 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.050 -7.845 -3.214 1.00 0.00 H new ATOM 237 N TRP A 15 -8.236 -3.321 -5.679 1.00 0.00 N ATOM 238 CA TRP A 15 -8.445 -1.870 -5.692 1.00 0.00 C ATOM 239 C TRP A 15 -9.735 -1.527 -6.461 1.00 0.00 C ATOM 240 O TRP A 15 -10.546 -0.690 -6.033 1.00 0.00 O ATOM 241 CB TRP A 15 -7.212 -1.213 -6.338 1.00 0.00 C ATOM 242 CG TRP A 15 -7.252 0.270 -6.474 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.579 0.969 -7.590 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.922 1.236 -5.476 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.499 2.313 -7.347 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.091 2.506 -6.057 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.508 1.152 -4.148 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.857 3.679 -5.356 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.275 2.318 -3.456 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.449 3.564 -4.058 1.00 0.00 C ATOM 0 H TRP A 15 -7.365 -3.612 -6.123 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.563 -1.491 -4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.334 -1.479 -5.749 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.074 -1.644 -7.329 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.862 0.528 -8.534 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.710 3.051 -8.019 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.373 0.192 -3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.992 4.646 -5.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.951 2.268 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.257 4.459 -3.484 1.00 0.00 H new ATOM 261 N ARG A 16 -9.930 -2.193 -7.575 1.00 0.00 N ATOM 262 CA ARG A 16 -11.129 -2.022 -8.380 1.00 0.00 C ATOM 263 C ARG A 16 -12.335 -2.714 -7.729 1.00 0.00 C ATOM 264 O ARG A 16 -13.479 -2.338 -7.956 1.00 0.00 O ATOM 265 CB ARG A 16 -10.884 -2.526 -9.793 1.00 0.00 C ATOM 266 CG ARG A 16 -9.849 -1.702 -10.536 1.00 0.00 C ATOM 267 CD ARG A 16 -9.541 -2.269 -11.904 1.00 0.00 C ATOM 268 NE ARG A 16 -8.609 -1.405 -12.643 1.00 0.00 N ATOM 269 CZ ARG A 16 -8.074 -1.686 -13.832 1.00 0.00 C ATOM 270 NH1 ARG A 16 -8.211 -2.894 -14.355 1.00 0.00 N ATOM 271 NH2 ARG A 16 -7.347 -0.774 -14.469 1.00 0.00 N ATOM 0 H ARG A 16 -9.266 -2.869 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.365 -0.959 -8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.555 -3.564 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.822 -2.510 -10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.209 -0.679 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.932 -1.658 -9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.111 -3.265 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.465 -2.379 -12.471 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.350 -0.518 -12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.727 -3.613 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.801 -3.106 -15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.197 0.143 -14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.939 -0.991 -15.378 1.00 0.00 H new ATOM 285 N LYS A 17 -12.050 -3.698 -6.913 1.00 0.00 N ATOM 286 CA LYS A 17 -13.043 -4.451 -6.150 1.00 0.00 C ATOM 287 C LYS A 17 -13.512 -3.660 -4.914 1.00 0.00 C ATOM 288 O LYS A 17 -14.655 -3.816 -4.455 1.00 0.00 O ATOM 289 CB LYS A 17 -12.436 -5.854 -5.828 1.00 0.00 C ATOM 290 CG LYS A 17 -12.958 -6.647 -4.625 1.00 0.00 C ATOM 291 CD LYS A 17 -12.346 -6.156 -3.312 1.00 0.00 C ATOM 292 CE LYS A 17 -12.753 -7.015 -2.133 1.00 0.00 C ATOM 293 NZ LYS A 17 -12.271 -8.413 -2.263 1.00 0.00 N ATOM 0 H LYS A 17 -11.095 -4.015 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.953 -4.607 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.569 -6.478 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.363 -5.721 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.043 -6.559 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.729 -7.704 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.259 -6.153 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.655 -5.126 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.357 -6.580 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.839 -7.014 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.454 -8.927 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.772 -8.882 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.249 -8.411 -2.458 1.00 0.00 H new ATOM 307 N LEU A 18 -12.626 -2.830 -4.389 1.00 0.00 N ATOM 308 CA LEU A 18 -12.909 -1.953 -3.258 1.00 0.00 C ATOM 309 C LEU A 18 -13.977 -0.937 -3.603 1.00 0.00 C ATOM 310 O LEU A 18 -14.245 -0.662 -4.786 1.00 0.00 O ATOM 311 CB LEU A 18 -11.641 -1.206 -2.812 1.00 0.00 C ATOM 312 CG LEU A 18 -10.944 -1.677 -1.525 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.514 -3.128 -1.600 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.760 -0.785 -1.239 1.00 0.00 C ATOM 0 H LEU A 18 -11.673 -2.743 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.266 -2.586 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.917 -1.262 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.899 -0.154 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.663 -1.606 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.027 -3.412 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.388 -3.759 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.817 -3.259 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.265 -1.118 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.058 -0.834 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.101 0.243 -1.112 1.00 0.00 H new ATOM 326 N GLY A 19 -14.563 -0.379 -2.588 1.00 0.00 N ATOM 327 CA GLY A 19 -15.569 0.609 -2.769 1.00 0.00 C ATOM 328 C GLY A 19 -14.952 1.905 -3.185 1.00 0.00 C ATOM 329 O GLY A 19 -13.842 2.237 -2.731 1.00 0.00 O ATOM 0 H GLY A 19 -14.354 -0.599 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.282 0.278 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.127 0.744 -1.842 1.00 0.00 H new ATOM 333 N SER A 20 -15.655 2.635 -4.022 1.00 0.00 N ATOM 334 CA SER A 20 -15.200 3.894 -4.587 1.00 0.00 C ATOM 335 C SER A 20 -14.728 4.855 -3.494 1.00 0.00 C ATOM 336 O SER A 20 -13.643 5.405 -3.567 1.00 0.00 O ATOM 337 CB SER A 20 -16.360 4.506 -5.346 1.00 0.00 C ATOM 338 OG SER A 20 -16.920 3.560 -6.252 1.00 0.00 O ATOM 0 H SER A 20 -16.586 2.365 -4.340 1.00 0.00 H new ATOM 0 HA SER A 20 -14.353 3.712 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.124 4.842 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.020 5.385 -5.893 1.00 0.00 H new ATOM 0 HG SER A 20 -17.669 3.971 -6.733 1.00 0.00 H new ATOM 344 N THR A 21 -15.529 4.964 -2.466 1.00 0.00 N ATOM 345 CA THR A 21 -15.292 5.842 -1.349 1.00 0.00 C ATOM 346 C THR A 21 -13.997 5.440 -0.624 1.00 0.00 C ATOM 347 O THR A 21 -13.126 6.269 -0.376 1.00 0.00 O ATOM 348 CB THR A 21 -16.471 5.702 -0.376 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.697 5.680 -1.133 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.516 6.851 0.618 1.00 0.00 C ATOM 0 H THR A 21 -16.392 4.427 -2.380 1.00 0.00 H new ATOM 0 HA THR A 21 -15.196 6.869 -1.701 1.00 0.00 H new ATOM 0 HB THR A 21 -16.346 4.776 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.457 5.589 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.364 6.718 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.593 6.868 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.624 7.793 0.080 1.00 0.00 H new ATOM 358 N VAL A 22 -13.860 4.146 -0.378 1.00 0.00 N ATOM 359 CA VAL A 22 -12.745 3.612 0.379 1.00 0.00 C ATOM 360 C VAL A 22 -11.443 3.812 -0.371 1.00 0.00 C ATOM 361 O VAL A 22 -10.464 4.322 0.187 1.00 0.00 O ATOM 362 CB VAL A 22 -12.961 2.105 0.699 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.753 1.507 1.403 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.205 1.927 1.557 1.00 0.00 C ATOM 0 H VAL A 22 -14.521 3.438 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.688 4.156 1.322 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.094 1.578 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.938 0.453 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.875 1.602 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.578 2.037 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.348 0.869 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.085 2.477 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.074 2.307 1.021 1.00 0.00 H new ATOM 374 N ARG A 23 -11.447 3.475 -1.644 1.00 0.00 N ATOM 375 CA ARG A 23 -10.261 3.633 -2.448 1.00 0.00 C ATOM 376 C ARG A 23 -9.896 5.096 -2.647 1.00 0.00 C ATOM 377 O ARG A 23 -8.717 5.428 -2.704 1.00 0.00 O ATOM 378 CB ARG A 23 -10.323 2.889 -3.767 1.00 0.00 C ATOM 379 CG ARG A 23 -11.501 3.224 -4.633 1.00 0.00 C ATOM 380 CD ARG A 23 -11.263 2.722 -6.026 1.00 0.00 C ATOM 381 NE ARG A 23 -12.378 3.029 -6.917 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.075 2.115 -7.612 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.842 0.803 -7.444 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.013 2.516 -8.456 1.00 0.00 N ATOM 0 H ARG A 23 -12.253 3.093 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.458 3.167 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.410 3.096 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.335 1.819 -3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.405 2.774 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.660 4.302 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.350 3.168 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.106 1.644 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.647 4.008 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.130 0.492 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.377 0.118 -7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.201 3.512 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.548 1.829 -8.988 1.00 0.00 H new ATOM 398 N GLU A 24 -10.900 5.973 -2.757 1.00 0.00 N ATOM 399 CA GLU A 24 -10.629 7.391 -2.885 1.00 0.00 C ATOM 400 C GLU A 24 -9.860 7.932 -1.700 1.00 0.00 C ATOM 401 O GLU A 24 -8.947 8.727 -1.874 1.00 0.00 O ATOM 402 CB GLU A 24 -11.874 8.221 -3.178 1.00 0.00 C ATOM 403 CG GLU A 24 -12.331 8.116 -4.623 1.00 0.00 C ATOM 404 CD GLU A 24 -13.490 9.022 -4.942 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.266 10.237 -5.183 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.646 8.545 -4.955 1.00 0.00 O ATOM 0 H GLU A 24 -11.889 5.722 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.990 7.490 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.682 7.897 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.671 9.266 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.496 8.358 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.614 7.085 -4.834 1.00 0.00 H new ATOM 413 N GLN A 25 -10.181 7.476 -0.500 1.00 0.00 N ATOM 414 CA GLN A 25 -9.422 7.912 0.655 1.00 0.00 C ATOM 415 C GLN A 25 -8.015 7.344 0.622 1.00 0.00 C ATOM 416 O GLN A 25 -7.046 8.039 0.926 1.00 0.00 O ATOM 417 CB GLN A 25 -10.102 7.590 1.984 1.00 0.00 C ATOM 418 CG GLN A 25 -11.125 8.618 2.461 1.00 0.00 C ATOM 419 CD GLN A 25 -12.345 8.753 1.583 1.00 0.00 C ATOM 420 OE1 GLN A 25 -12.375 9.535 0.631 1.00 0.00 O ATOM 421 NE2 GLN A 25 -13.378 8.036 1.916 1.00 0.00 N ATOM 0 H GLN A 25 -10.940 6.823 -0.305 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.371 8.999 0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.598 6.623 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.334 7.484 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.447 8.349 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.636 9.590 2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.321 7.398 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.245 8.112 1.384 1.00 0.00 H new ATOM 430 N LEU A 26 -7.906 6.104 0.203 1.00 0.00 N ATOM 431 CA LEU A 26 -6.625 5.436 0.115 1.00 0.00 C ATOM 432 C LEU A 26 -5.698 6.121 -0.892 1.00 0.00 C ATOM 433 O LEU A 26 -4.523 6.338 -0.601 1.00 0.00 O ATOM 434 CB LEU A 26 -6.800 3.959 -0.237 1.00 0.00 C ATOM 435 CG LEU A 26 -7.565 3.086 0.781 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.600 1.647 0.322 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.951 3.188 2.174 1.00 0.00 C ATOM 0 H LEU A 26 -8.699 5.531 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.157 5.504 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.318 3.897 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.811 3.525 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.587 3.460 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.143 1.046 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.101 1.585 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.582 1.270 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.513 2.561 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.915 2.852 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.986 4.224 2.512 1.00 0.00 H new ATOM 449 N LYS A 27 -6.232 6.487 -2.055 1.00 0.00 N ATOM 450 CA LYS A 27 -5.426 7.144 -3.090 1.00 0.00 C ATOM 451 C LYS A 27 -4.915 8.504 -2.631 1.00 0.00 C ATOM 452 O LYS A 27 -3.816 8.932 -3.025 1.00 0.00 O ATOM 453 CB LYS A 27 -6.188 7.300 -4.387 1.00 0.00 C ATOM 454 CG LYS A 27 -7.246 8.386 -4.389 1.00 0.00 C ATOM 455 CD LYS A 27 -7.728 8.709 -5.785 1.00 0.00 C ATOM 456 CE LYS A 27 -6.605 9.325 -6.607 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.055 9.712 -7.954 1.00 0.00 N ATOM 0 H LYS A 27 -7.210 6.343 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.571 6.491 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.476 7.508 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.666 6.350 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.091 8.069 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.841 9.287 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.087 7.802 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.571 9.399 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.216 10.202 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.784 8.613 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.260 10.127 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.403 8.872 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.821 10.411 -7.877 1.00 0.00 H new ATOM 471 N LYS A 28 -5.728 9.185 -1.829 1.00 0.00 N ATOM 472 CA LYS A 28 -5.336 10.477 -1.225 1.00 0.00 C ATOM 473 C LYS A 28 -4.097 10.272 -0.401 1.00 0.00 C ATOM 474 O LYS A 28 -3.144 11.037 -0.477 1.00 0.00 O ATOM 475 CB LYS A 28 -6.421 11.024 -0.304 1.00 0.00 C ATOM 476 CG LYS A 28 -7.732 11.305 -0.964 1.00 0.00 C ATOM 477 CD LYS A 28 -8.790 11.630 0.074 1.00 0.00 C ATOM 478 CE LYS A 28 -10.178 11.672 -0.534 1.00 0.00 C ATOM 479 NZ LYS A 28 -10.334 12.760 -1.511 1.00 0.00 N ATOM 0 H LYS A 28 -6.665 8.873 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.171 11.186 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.584 10.310 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.058 11.944 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.626 12.139 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.043 10.441 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.763 10.883 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.565 12.592 0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.387 10.719 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.915 11.793 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.314 12.776 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.113 13.669 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.686 12.605 -2.309 1.00 0.00 H new ATOM 493 N LYS A 29 -4.107 9.193 0.355 1.00 0.00 N ATOM 494 CA LYS A 29 -2.992 8.858 1.212 1.00 0.00 C ATOM 495 C LYS A 29 -1.768 8.511 0.422 1.00 0.00 C ATOM 496 O LYS A 29 -0.666 8.838 0.826 1.00 0.00 O ATOM 497 CB LYS A 29 -3.316 7.780 2.242 1.00 0.00 C ATOM 498 CG LYS A 29 -3.939 8.295 3.540 1.00 0.00 C ATOM 499 CD LYS A 29 -5.300 8.923 3.346 1.00 0.00 C ATOM 500 CE LYS A 29 -5.838 9.452 4.657 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.994 10.540 5.192 1.00 0.00 N ATOM 0 H LYS A 29 -4.881 8.530 0.392 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.779 9.762 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.998 7.060 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.399 7.243 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.026 7.468 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.270 9.028 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.231 9.735 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.990 8.186 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.855 9.817 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.890 8.641 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.493 10.206 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.302 10.829 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.593 11.353 5.442 1.00 0.00 H new ATOM 515 N LEU A 30 -1.969 7.883 -0.718 1.00 0.00 N ATOM 516 CA LEU A 30 -0.877 7.517 -1.596 1.00 0.00 C ATOM 517 C LEU A 30 -0.141 8.759 -2.077 1.00 0.00 C ATOM 518 O LEU A 30 1.077 8.840 -1.974 1.00 0.00 O ATOM 519 CB LEU A 30 -1.395 6.742 -2.815 1.00 0.00 C ATOM 520 CG LEU A 30 -2.177 5.460 -2.533 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.624 4.811 -3.827 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.345 4.496 -1.718 1.00 0.00 C ATOM 0 H LEU A 30 -2.891 7.613 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.194 6.884 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.033 7.408 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.542 6.488 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.064 5.722 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.179 3.900 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.264 5.500 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.751 4.565 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.920 3.590 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.439 4.242 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.075 4.960 -0.769 1.00 0.00 H new ATOM 534 N VAL A 31 -0.892 9.749 -2.537 1.00 0.00 N ATOM 535 CA VAL A 31 -0.291 10.946 -3.092 1.00 0.00 C ATOM 536 C VAL A 31 0.411 11.798 -2.011 1.00 0.00 C ATOM 537 O VAL A 31 1.517 12.318 -2.238 1.00 0.00 O ATOM 538 CB VAL A 31 -1.290 11.788 -3.967 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.422 12.409 -3.165 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.562 12.834 -4.790 1.00 0.00 C ATOM 0 H VAL A 31 -1.912 9.745 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 31 0.485 10.605 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.757 11.079 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.072 12.975 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.998 11.622 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.009 13.076 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.283 13.397 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.029 13.514 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.149 12.344 -5.454 1.00 0.00 H new ATOM 550 N GLU A 32 -0.212 11.923 -0.838 1.00 0.00 N ATOM 551 CA GLU A 32 0.399 12.666 0.258 1.00 0.00 C ATOM 552 C GLU A 32 1.644 11.947 0.831 1.00 0.00 C ATOM 553 O GLU A 32 2.696 12.569 1.040 1.00 0.00 O ATOM 554 CB GLU A 32 -0.642 13.030 1.356 1.00 0.00 C ATOM 555 CG GLU A 32 -1.411 11.848 1.922 1.00 0.00 C ATOM 556 CD GLU A 32 -2.517 12.232 2.899 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.361 13.082 2.566 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.599 11.636 4.008 1.00 0.00 O ATOM 0 H GLU A 32 -1.127 11.524 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 32 0.760 13.608 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.126 13.535 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.354 13.743 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.849 11.285 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.711 11.182 2.426 1.00 0.00 H new ATOM 565 N VAL A 33 1.551 10.633 1.007 1.00 0.00 N ATOM 566 CA VAL A 33 2.633 9.873 1.616 1.00 0.00 C ATOM 567 C VAL A 33 3.896 9.864 0.740 1.00 0.00 C ATOM 568 O VAL A 33 4.993 9.838 1.254 1.00 0.00 O ATOM 569 CB VAL A 33 2.225 8.430 2.048 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.142 7.452 0.876 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.145 7.916 3.143 1.00 0.00 C ATOM 0 H VAL A 33 0.741 10.076 0.737 1.00 0.00 H new ATOM 0 HA VAL A 33 2.870 10.403 2.539 1.00 0.00 H new ATOM 0 HB VAL A 33 1.214 8.496 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.854 6.467 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.399 7.804 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.114 7.387 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.843 6.909 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.171 7.896 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.082 8.574 4.010 1.00 0.00 H new ATOM 581 N LEU A 34 3.716 9.924 -0.578 1.00 0.00 N ATOM 582 CA LEU A 34 4.824 9.904 -1.547 1.00 0.00 C ATOM 583 C LEU A 34 5.874 10.978 -1.308 1.00 0.00 C ATOM 584 O LEU A 34 7.030 10.787 -1.685 1.00 0.00 O ATOM 585 CB LEU A 34 4.316 10.037 -2.982 1.00 0.00 C ATOM 586 CG LEU A 34 3.631 8.822 -3.590 1.00 0.00 C ATOM 587 CD1 LEU A 34 3.078 9.182 -4.952 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.618 7.672 -3.717 1.00 0.00 C ATOM 0 H LEU A 34 2.795 9.988 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 34 5.299 8.934 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.617 10.872 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.161 10.302 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 34 2.814 8.510 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.587 8.311 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.356 9.992 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.892 9.502 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.116 6.808 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.446 7.973 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.000 7.410 -2.730 1.00 0.00 H new ATOM 600 N GLU A 35 5.502 12.096 -0.686 1.00 0.00 N ATOM 601 CA GLU A 35 6.478 13.157 -0.496 1.00 0.00 C ATOM 602 C GLU A 35 7.412 12.857 0.684 1.00 0.00 C ATOM 603 O GLU A 35 8.483 13.461 0.816 1.00 0.00 O ATOM 604 CB GLU A 35 5.812 14.513 -0.304 1.00 0.00 C ATOM 605 CG GLU A 35 5.022 14.647 0.981 1.00 0.00 C ATOM 606 CD GLU A 35 4.522 16.033 1.173 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.357 16.944 1.397 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.297 16.267 1.061 1.00 0.00 O ATOM 0 H GLU A 35 4.569 12.284 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 35 7.074 13.198 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.579 15.287 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.146 14.699 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.180 13.955 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.650 14.366 1.826 1.00 0.00 H new ATOM 615 N SER A 36 6.994 11.959 1.552 1.00 0.00 N ATOM 616 CA SER A 36 7.765 11.567 2.719 1.00 0.00 C ATOM 617 C SER A 36 7.327 10.179 3.200 1.00 0.00 C ATOM 618 O SER A 36 6.746 10.049 4.260 1.00 0.00 O ATOM 619 CB SER A 36 7.589 12.600 3.849 1.00 0.00 C ATOM 620 OG SER A 36 8.035 13.908 3.444 1.00 0.00 O ATOM 0 H SER A 36 6.100 11.474 1.468 1.00 0.00 H new ATOM 0 HA SER A 36 8.819 11.528 2.443 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.540 12.647 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.150 12.279 4.727 1.00 0.00 H new ATOM 0 HG SER A 36 8.378 13.867 2.527 1.00 0.00 H new ATOM 626 N PRO A 37 7.586 9.112 2.419 1.00 0.00 N ATOM 627 CA PRO A 37 7.122 7.764 2.762 1.00 0.00 C ATOM 628 C PRO A 37 7.924 7.089 3.874 1.00 0.00 C ATOM 629 O PRO A 37 7.603 5.993 4.277 1.00 0.00 O ATOM 630 CB PRO A 37 7.261 7.000 1.451 1.00 0.00 C ATOM 631 CG PRO A 37 8.392 7.665 0.763 1.00 0.00 C ATOM 632 CD PRO A 37 8.285 9.126 1.110 1.00 0.00 C ATOM 0 HA PRO A 37 6.108 7.790 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.466 5.944 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.347 7.054 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.346 7.254 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.336 7.515 -0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.266 9.596 1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.721 9.678 0.358 1.00 0.00 H new ATOM 640 N ARG A 38 8.927 7.772 4.388 1.00 0.00 N ATOM 641 CA ARG A 38 9.799 7.246 5.452 1.00 0.00 C ATOM 642 C ARG A 38 9.172 7.305 6.858 1.00 0.00 C ATOM 643 O ARG A 38 9.892 7.299 7.856 1.00 0.00 O ATOM 644 CB ARG A 38 11.166 7.977 5.445 1.00 0.00 C ATOM 645 CG ARG A 38 11.148 9.519 5.261 1.00 0.00 C ATOM 646 CD ARG A 38 10.275 10.298 6.264 1.00 0.00 C ATOM 647 NE ARG A 38 10.544 9.990 7.684 1.00 0.00 N ATOM 648 CZ ARG A 38 10.419 10.860 8.690 1.00 0.00 C ATOM 649 NH1 ARG A 38 10.386 12.177 8.442 1.00 0.00 N ATOM 650 NH2 ARG A 38 10.362 10.422 9.943 1.00 0.00 N ATOM 0 H ARG A 38 9.172 8.715 4.086 1.00 0.00 H new ATOM 0 HA ARG A 38 9.942 6.189 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.672 7.755 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.773 7.549 4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.171 9.888 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.800 9.743 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.425 11.366 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.227 10.088 6.053 1.00 0.00 H new ATOM 0 HE ARG A 38 10.847 9.043 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.456 12.517 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.290 12.839 9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.414 9.422 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.267 11.086 10.711 1.00 0.00 H new ATOM 664 N ILE A 39 7.875 7.294 6.936 1.00 0.00 N ATOM 665 CA ILE A 39 7.189 7.471 8.197 1.00 0.00 C ATOM 666 C ILE A 39 7.131 6.152 8.957 1.00 0.00 C ATOM 667 O ILE A 39 6.305 5.277 8.675 1.00 0.00 O ATOM 668 CB ILE A 39 5.772 8.072 7.968 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.936 9.437 7.288 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.003 8.214 9.287 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.648 10.100 6.841 1.00 0.00 C ATOM 0 H ILE A 39 7.257 7.163 6.135 1.00 0.00 H new ATOM 0 HA ILE A 39 7.747 8.179 8.809 1.00 0.00 H new ATOM 0 HB ILE A 39 5.192 7.402 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.450 10.108 7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.583 9.316 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.018 8.637 9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.891 7.234 9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.553 8.873 9.959 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.875 11.058 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.138 9.458 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.003 10.262 7.705 1.00 0.00 H new ATOM 683 N GLU A 40 8.034 6.026 9.919 1.00 0.00 N ATOM 684 CA GLU A 40 8.204 4.821 10.720 1.00 0.00 C ATOM 685 C GLU A 40 6.954 4.428 11.509 1.00 0.00 C ATOM 686 O GLU A 40 6.804 3.272 11.895 1.00 0.00 O ATOM 687 CB GLU A 40 9.434 4.902 11.650 1.00 0.00 C ATOM 688 CG GLU A 40 9.547 6.175 12.484 1.00 0.00 C ATOM 689 CD GLU A 40 10.237 7.303 11.756 1.00 0.00 C ATOM 690 OE1 GLU A 40 9.585 8.017 10.988 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.461 7.493 11.951 1.00 0.00 O ATOM 0 H GLU A 40 8.682 6.773 10.170 1.00 0.00 H new ATOM 0 HA GLU A 40 8.379 4.026 9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.413 4.047 12.326 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.334 4.806 11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.549 6.498 12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.094 5.954 13.400 1.00 0.00 H new ATOM 698 N ALA A 41 6.056 5.368 11.724 1.00 0.00 N ATOM 699 CA ALA A 41 4.812 5.091 12.440 1.00 0.00 C ATOM 700 C ALA A 41 3.900 4.173 11.614 1.00 0.00 C ATOM 701 O ALA A 41 3.049 3.457 12.152 1.00 0.00 O ATOM 702 CB ALA A 41 4.100 6.389 12.771 1.00 0.00 C ATOM 0 H ALA A 41 6.158 6.335 11.415 1.00 0.00 H new ATOM 0 HA ALA A 41 5.056 4.577 13.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.175 6.171 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.743 7.007 13.398 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.870 6.923 11.849 1.00 0.00 H new ATOM 708 N ASN A 42 4.112 4.169 10.316 1.00 0.00 N ATOM 709 CA ASN A 42 3.302 3.369 9.404 1.00 0.00 C ATOM 710 C ASN A 42 4.070 2.149 8.951 1.00 0.00 C ATOM 711 O ASN A 42 3.552 1.328 8.210 1.00 0.00 O ATOM 712 CB ASN A 42 2.921 4.188 8.157 1.00 0.00 C ATOM 713 CG ASN A 42 2.059 5.398 8.446 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.256 5.403 9.370 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.222 6.437 7.659 1.00 0.00 N ATOM 0 H ASN A 42 4.843 4.714 9.859 1.00 0.00 H new ATOM 0 HA ASN A 42 2.401 3.068 9.939 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.834 4.517 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.393 3.539 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.670 7.282 7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.900 6.399 6.898 1.00 0.00 H new ATOM 722 N LYS A 43 5.294 2.028 9.411 1.00 0.00 N ATOM 723 CA LYS A 43 6.186 1.041 8.961 1.00 0.00 C ATOM 724 C LYS A 43 5.988 -0.278 9.686 1.00 0.00 C ATOM 725 O LYS A 43 5.764 -0.317 10.905 1.00 0.00 O ATOM 726 CB LYS A 43 7.577 1.580 9.162 1.00 0.00 C ATOM 727 CG LYS A 43 8.628 0.849 8.428 1.00 0.00 C ATOM 728 CD LYS A 43 9.910 1.667 8.387 1.00 0.00 C ATOM 729 CE LYS A 43 10.899 1.104 7.390 1.00 0.00 C ATOM 730 NZ LYS A 43 11.977 2.073 7.079 1.00 0.00 N ATOM 0 H LYS A 43 5.685 2.640 10.127 1.00 0.00 H new ATOM 0 HA LYS A 43 6.007 0.824 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.596 2.625 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.812 1.557 10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.816 -0.111 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.292 0.637 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.676 2.699 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.362 1.685 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.336 0.189 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.377 0.834 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.577 1.693 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.557 2.973 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.555 2.234 7.928 1.00 0.00 H new ATOM 744 N LEU A 44 6.059 -1.333 8.928 1.00 0.00 N ATOM 745 CA LEU A 44 5.919 -2.673 9.432 1.00 0.00 C ATOM 746 C LEU A 44 7.290 -3.207 9.791 1.00 0.00 C ATOM 747 O LEU A 44 8.198 -3.239 8.948 1.00 0.00 O ATOM 748 CB LEU A 44 5.281 -3.581 8.383 1.00 0.00 C ATOM 749 CG LEU A 44 3.892 -3.202 7.868 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.428 -4.216 6.846 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.893 -3.121 8.998 1.00 0.00 C ATOM 0 H LEU A 44 6.219 -1.288 7.922 1.00 0.00 H new ATOM 0 HA LEU A 44 5.276 -2.656 10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.954 -3.630 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.222 -4.586 8.800 1.00 0.00 H new ATOM 0 HG LEU A 44 3.960 -2.219 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.438 -3.940 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.128 -4.237 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.384 -5.203 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.915 -2.850 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.827 -4.089 9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.215 -2.366 9.715 1.00 0.00 H new ATOM 763 N ARG A 45 7.436 -3.633 11.004 1.00 0.00 N ATOM 764 CA ARG A 45 8.703 -4.098 11.500 1.00 0.00 C ATOM 765 C ARG A 45 8.871 -5.576 11.183 1.00 0.00 C ATOM 766 O ARG A 45 8.061 -6.403 11.590 1.00 0.00 O ATOM 767 CB ARG A 45 8.792 -3.833 13.000 1.00 0.00 C ATOM 768 CG ARG A 45 10.102 -4.244 13.652 1.00 0.00 C ATOM 769 CD ARG A 45 10.138 -3.784 15.096 1.00 0.00 C ATOM 770 NE ARG A 45 10.069 -2.323 15.187 1.00 0.00 N ATOM 771 CZ ARG A 45 9.327 -1.623 16.058 1.00 0.00 C ATOM 772 NH1 ARG A 45 8.514 -2.248 16.914 1.00 0.00 N ATOM 773 NH2 ARG A 45 9.377 -0.288 16.044 1.00 0.00 N ATOM 0 H ARG A 45 6.679 -3.671 11.687 1.00 0.00 H new ATOM 0 HA ARG A 45 9.514 -3.558 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.636 -2.769 13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.977 -4.360 13.495 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.215 -5.327 13.605 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.940 -3.812 13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.304 -4.225 15.642 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.053 -4.138 15.571 1.00 0.00 H new ATOM 0 HE ARG A 45 10.637 -1.790 14.528 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.454 -3.266 16.909 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.954 -1.707 17.573 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.977 0.193 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.815 0.250 16.704 1.00 0.00 H new ATOM 787 N GLY A 46 9.904 -5.895 10.440 1.00 0.00 N ATOM 788 CA GLY A 46 10.140 -7.273 10.041 1.00 0.00 C ATOM 789 C GLY A 46 9.741 -7.476 8.602 1.00 0.00 C ATOM 790 O GLY A 46 9.864 -8.572 8.040 1.00 0.00 O ATOM 0 H GLY A 46 10.595 -5.227 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.193 -7.521 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.571 -7.947 10.682 1.00 0.00 H new ATOM 794 N MET A 47 9.258 -6.413 8.018 1.00 0.00 N ATOM 795 CA MET A 47 8.837 -6.376 6.639 1.00 0.00 C ATOM 796 C MET A 47 9.728 -5.373 5.935 1.00 0.00 C ATOM 797 O MET A 47 9.915 -4.266 6.458 1.00 0.00 O ATOM 798 CB MET A 47 7.379 -5.922 6.577 1.00 0.00 C ATOM 799 CG MET A 47 6.412 -6.852 7.306 1.00 0.00 C ATOM 800 SD MET A 47 6.138 -8.418 6.457 1.00 0.00 S ATOM 801 CE MET A 47 5.111 -7.857 5.097 1.00 0.00 C ATOM 0 H MET A 47 9.142 -5.522 8.500 1.00 0.00 H new ATOM 0 HA MET A 47 8.915 -7.355 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.301 -4.923 7.006 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.076 -5.845 5.533 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.798 -7.053 8.305 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.456 -6.343 7.430 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.631 -8.715 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.348 -7.176 5.474 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.729 -7.339 4.364 1.00 0.00 H new ATOM 811 N PRO A 48 10.305 -5.728 4.771 1.00 0.00 N ATOM 812 CA PRO A 48 11.257 -4.862 4.057 1.00 0.00 C ATOM 813 C PRO A 48 10.633 -3.545 3.594 1.00 0.00 C ATOM 814 O PRO A 48 9.944 -3.494 2.560 1.00 0.00 O ATOM 815 CB PRO A 48 11.708 -5.705 2.858 1.00 0.00 C ATOM 816 CG PRO A 48 10.634 -6.723 2.680 1.00 0.00 C ATOM 817 CD PRO A 48 10.071 -6.993 4.048 1.00 0.00 C ATOM 0 HA PRO A 48 12.080 -4.562 4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.823 -5.091 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.672 -6.177 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.859 -6.356 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.034 -7.636 2.238 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.010 -7.240 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.574 -7.831 4.531 1.00 0.00 H new ATOM 825 N ASP A 49 10.803 -2.517 4.440 1.00 0.00 N ATOM 826 CA ASP A 49 10.326 -1.149 4.212 1.00 0.00 C ATOM 827 C ASP A 49 8.917 -1.083 3.714 1.00 0.00 C ATOM 828 O ASP A 49 8.608 -0.430 2.712 1.00 0.00 O ATOM 829 CB ASP A 49 11.307 -0.292 3.398 1.00 0.00 C ATOM 830 CG ASP A 49 12.429 0.236 4.268 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.187 -0.564 4.854 1.00 0.00 O ATOM 832 OD2 ASP A 49 12.530 1.469 4.453 1.00 0.00 O ATOM 0 H ASP A 49 11.292 -2.621 5.329 1.00 0.00 H new ATOM 0 HA ASP A 49 10.295 -0.688 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.723 -0.886 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.773 0.542 2.943 1.00 0.00 H new ATOM 837 N CYS A 50 8.064 -1.784 4.413 1.00 0.00 N ATOM 838 CA CYS A 50 6.679 -1.810 4.099 1.00 0.00 C ATOM 839 C CYS A 50 5.959 -0.872 5.038 1.00 0.00 C ATOM 840 O CYS A 50 6.317 -0.770 6.219 1.00 0.00 O ATOM 841 CB CYS A 50 6.146 -3.229 4.237 1.00 0.00 C ATOM 842 SG CYS A 50 7.051 -4.449 3.253 1.00 0.00 S ATOM 0 H CYS A 50 8.322 -2.353 5.219 1.00 0.00 H new ATOM 0 HA CYS A 50 6.516 -1.488 3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.185 -3.521 5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.097 -3.243 3.941 1.00 0.00 H new ATOM 0 HG CYS A 50 8.211 -3.965 2.922 1.00 0.00 H new ATOM 848 N TYR A 51 4.985 -0.187 4.527 1.00 0.00 N ATOM 849 CA TYR A 51 4.225 0.776 5.282 1.00 0.00 C ATOM 850 C TYR A 51 2.762 0.530 5.007 1.00 0.00 C ATOM 851 O TYR A 51 2.411 -0.032 3.953 1.00 0.00 O ATOM 852 CB TYR A 51 4.596 2.220 4.880 1.00 0.00 C ATOM 853 CG TYR A 51 6.068 2.594 5.034 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.003 2.226 4.077 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.515 3.314 6.127 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.334 2.559 4.205 1.00 0.00 C ATOM 857 CE2 TYR A 51 7.852 3.654 6.259 1.00 0.00 C ATOM 858 CZ TYR A 51 8.755 3.271 5.292 1.00 0.00 C ATOM 859 OH TYR A 51 10.093 3.600 5.419 1.00 0.00 O ATOM 0 H TYR A 51 4.685 -0.278 3.556 1.00 0.00 H new ATOM 0 HA TYR A 51 4.446 0.662 6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.308 2.373 3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.001 2.909 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.680 1.666 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.812 3.616 6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.043 2.258 3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.185 4.218 7.118 1.00 0.00 H new ATOM 0 HH TYR A 51 10.411 4.005 4.585 1.00 0.00 H new ATOM 869 N LYS A 52 1.920 0.918 5.922 1.00 0.00 N ATOM 870 CA LYS A 52 0.506 0.695 5.786 1.00 0.00 C ATOM 871 C LYS A 52 -0.305 1.971 5.938 1.00 0.00 C ATOM 872 O LYS A 52 0.060 2.896 6.683 1.00 0.00 O ATOM 873 CB LYS A 52 0.014 -0.362 6.786 1.00 0.00 C ATOM 874 CG LYS A 52 0.386 -0.066 8.232 1.00 0.00 C ATOM 875 CD LYS A 52 -0.240 -1.061 9.188 1.00 0.00 C ATOM 876 CE LYS A 52 0.316 -0.891 10.588 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.316 -1.805 11.549 1.00 0.00 N ATOM 0 H LYS A 52 2.191 1.396 6.781 1.00 0.00 H new ATOM 0 HA LYS A 52 0.351 0.327 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.070 -0.443 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.426 -1.332 6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.470 -0.090 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.062 0.942 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.321 -0.926 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.051 -2.076 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.392 -1.067 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.166 0.138 10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.318 -1.947 12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.214 -1.396 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.500 -2.720 11.089 1.00 0.00 H new ATOM 891 N ILE A 53 -1.386 2.007 5.222 1.00 0.00 N ATOM 892 CA ILE A 53 -2.359 3.061 5.296 1.00 0.00 C ATOM 893 C ILE A 53 -3.573 2.479 5.956 1.00 0.00 C ATOM 894 O ILE A 53 -3.893 1.320 5.712 1.00 0.00 O ATOM 895 CB ILE A 53 -2.745 3.577 3.888 1.00 0.00 C ATOM 896 CG1 ILE A 53 -1.514 4.122 3.179 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.839 4.648 3.971 1.00 0.00 C ATOM 898 CD1 ILE A 53 -1.765 4.558 1.759 1.00 0.00 C ATOM 0 H ILE A 53 -1.626 1.281 4.547 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.951 3.905 5.853 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.143 2.741 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.127 4.969 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.738 3.357 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.089 4.991 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.727 4.226 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.480 5.490 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.839 4.934 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.122 3.709 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.517 5.347 1.748 1.00 0.00 H new ATOM 910 N LYS A 54 -4.222 3.237 6.792 1.00 0.00 N ATOM 911 CA LYS A 54 -5.375 2.755 7.480 1.00 0.00 C ATOM 912 C LYS A 54 -6.464 3.801 7.474 1.00 0.00 C ATOM 913 O LYS A 54 -6.184 4.995 7.616 1.00 0.00 O ATOM 914 CB LYS A 54 -5.050 2.301 8.925 1.00 0.00 C ATOM 915 CG LYS A 54 -4.547 3.388 9.872 1.00 0.00 C ATOM 916 CD LYS A 54 -3.105 3.795 9.624 1.00 0.00 C ATOM 917 CE LYS A 54 -2.755 4.933 10.537 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.357 5.388 10.399 1.00 0.00 N ATOM 0 H LYS A 54 -3.966 4.199 7.012 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.730 1.873 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.948 1.859 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.298 1.513 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.185 4.266 9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.644 3.036 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.439 2.951 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.971 4.092 8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.423 5.770 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.930 4.628 11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.866 5.281 11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.875 4.816 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.344 6.388 10.114 1.00 0.00 H new ATOM 932 N LEU A 55 -7.685 3.383 7.258 1.00 0.00 N ATOM 933 CA LEU A 55 -8.798 4.294 7.322 1.00 0.00 C ATOM 934 C LEU A 55 -9.206 4.553 8.747 1.00 0.00 C ATOM 935 O LEU A 55 -8.838 3.818 9.649 1.00 0.00 O ATOM 936 CB LEU A 55 -9.995 3.820 6.497 1.00 0.00 C ATOM 937 CG LEU A 55 -10.003 4.196 5.019 1.00 0.00 C ATOM 938 CD1 LEU A 55 -11.282 3.736 4.363 1.00 0.00 C ATOM 939 CD2 LEU A 55 -9.886 5.683 4.883 1.00 0.00 C ATOM 0 H LEU A 55 -7.933 2.419 7.037 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.457 5.230 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.050 2.734 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.901 4.218 6.954 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.160 3.709 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.270 4.013 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.368 2.653 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.133 4.209 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.892 5.953 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.727 6.162 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.954 6.018 5.338 1.00 0.00 H new ATOM 951 N ARG A 56 -9.937 5.611 8.958 1.00 0.00 N ATOM 952 CA ARG A 56 -10.394 5.925 10.288 1.00 0.00 C ATOM 953 C ARG A 56 -11.836 5.456 10.434 1.00 0.00 C ATOM 954 O ARG A 56 -12.217 4.859 11.440 1.00 0.00 O ATOM 955 CB ARG A 56 -10.320 7.436 10.556 1.00 0.00 C ATOM 956 CG ARG A 56 -8.976 8.105 10.272 1.00 0.00 C ATOM 957 CD ARG A 56 -7.825 7.469 11.030 1.00 0.00 C ATOM 958 NE ARG A 56 -6.609 8.296 10.943 1.00 0.00 N ATOM 959 CZ ARG A 56 -5.499 7.997 10.251 1.00 0.00 C ATOM 960 NH1 ARG A 56 -5.472 6.951 9.439 1.00 0.00 N ATOM 961 NH2 ARG A 56 -4.434 8.781 10.340 1.00 0.00 N ATOM 0 H ARG A 56 -10.229 6.268 8.234 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.752 5.419 11.009 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.083 7.929 9.953 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.577 7.612 11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.771 8.056 9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.039 9.161 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.104 7.336 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.623 6.477 10.625 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.611 9.177 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.300 6.364 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.623 6.732 8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.459 9.610 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.589 8.555 9.815 1.00 0.00 H new ATOM 975 N SER A 57 -12.609 5.678 9.384 1.00 0.00 N ATOM 976 CA SER A 57 -14.029 5.377 9.358 1.00 0.00 C ATOM 977 C SER A 57 -14.288 3.939 8.888 1.00 0.00 C ATOM 978 O SER A 57 -15.437 3.497 8.785 1.00 0.00 O ATOM 979 CB SER A 57 -14.733 6.389 8.437 1.00 0.00 C ATOM 980 OG SER A 57 -16.144 6.251 8.448 1.00 0.00 O ATOM 0 H SER A 57 -12.261 6.079 8.513 1.00 0.00 H new ATOM 0 HA SER A 57 -14.430 5.459 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.469 7.400 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.368 6.262 7.418 1.00 0.00 H new ATOM 0 HG SER A 57 -16.381 5.339 8.718 1.00 0.00 H new ATOM 986 N SER A 58 -13.238 3.228 8.598 1.00 0.00 N ATOM 987 CA SER A 58 -13.327 1.865 8.155 1.00 0.00 C ATOM 988 C SER A 58 -12.037 1.187 8.567 1.00 0.00 C ATOM 989 O SER A 58 -11.065 1.876 8.868 1.00 0.00 O ATOM 990 CB SER A 58 -13.501 1.813 6.624 1.00 0.00 C ATOM 991 OG SER A 58 -14.609 2.606 6.192 1.00 0.00 O ATOM 0 H SER A 58 -12.283 3.581 8.663 1.00 0.00 H new ATOM 0 HA SER A 58 -14.187 1.363 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.590 2.167 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.648 0.780 6.309 1.00 0.00 H new ATOM 0 HG SER A 58 -14.690 2.552 5.217 1.00 0.00 H new ATOM 997 N GLY A 59 -12.008 -0.117 8.568 1.00 0.00 N ATOM 998 CA GLY A 59 -10.822 -0.828 8.965 1.00 0.00 C ATOM 999 C GLY A 59 -10.005 -1.272 7.778 1.00 0.00 C ATOM 1000 O GLY A 59 -9.292 -2.288 7.840 1.00 0.00 O ATOM 0 H GLY A 59 -12.792 -0.711 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.214 -0.189 9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.103 -1.699 9.558 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.080 -0.513 6.708 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.373 -0.849 5.507 1.00 0.00 C ATOM 1006 C TYR A 60 -7.947 -0.383 5.574 1.00 0.00 C ATOM 1007 O TYR A 60 -7.657 0.724 6.051 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.087 -0.338 4.251 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.230 -1.232 3.793 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.426 -1.305 4.495 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.093 -2.020 2.655 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.450 -2.136 4.074 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.108 -2.852 2.230 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.282 -2.907 2.939 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.298 -3.742 2.516 1.00 0.00 O ATOM 0 H TYR A 60 -10.629 0.345 6.652 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.361 -1.936 5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.475 0.662 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.362 -0.247 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.559 -0.704 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.172 -1.980 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.375 -2.182 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.980 -3.457 1.344 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.018 -4.212 1.703 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.071 -1.244 5.140 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.654 -1.015 5.146 1.00 0.00 C ATOM 1027 C ARG A 61 -5.082 -1.280 3.782 1.00 0.00 C ATOM 1028 O ARG A 61 -5.588 -2.120 3.025 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.905 -1.901 6.167 1.00 0.00 C ATOM 1030 CG ARG A 61 -4.828 -1.399 7.615 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.172 -1.305 8.299 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.017 -1.047 9.732 1.00 0.00 N ATOM 1033 CZ ARG A 61 -6.848 -1.476 10.687 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -7.970 -2.126 10.367 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.566 -1.238 11.960 1.00 0.00 N ATOM 0 H ARG A 61 -7.332 -2.154 4.760 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.514 0.027 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.381 -2.881 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.887 -2.044 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.185 -2.067 8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.356 -0.417 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.760 -0.508 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.725 -2.233 8.151 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.210 -0.496 10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.198 -2.298 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.599 -2.450 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.717 -0.729 12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.198 -1.564 12.692 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.050 -0.579 3.478 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.328 -0.745 2.256 1.00 0.00 C ATOM 1051 C LEU A 62 -1.868 -0.872 2.638 1.00 0.00 C ATOM 1052 O LEU A 62 -1.351 -0.023 3.355 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.605 0.468 1.326 1.00 0.00 C ATOM 1054 CG LEU A 62 -3.020 0.446 -0.103 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.717 1.484 -0.958 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.541 0.755 -0.099 1.00 0.00 C ATOM 0 H LEU A 62 -3.669 0.147 4.085 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.634 -1.632 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.686 0.581 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.229 1.361 1.825 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.175 -0.555 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.301 1.465 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.783 1.263 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.569 2.472 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.162 0.731 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.377 1.745 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.016 0.012 0.501 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.228 -1.931 2.211 1.00 0.00 N ATOM 1069 CA VAL A 63 0.151 -2.183 2.572 1.00 0.00 C ATOM 1070 C VAL A 63 1.016 -2.122 1.321 1.00 0.00 C ATOM 1071 O VAL A 63 0.722 -2.786 0.310 1.00 0.00 O ATOM 1072 CB VAL A 63 0.321 -3.568 3.271 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.754 -3.775 3.747 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.641 -3.704 4.443 1.00 0.00 C ATOM 0 H VAL A 63 -1.642 -2.641 1.607 1.00 0.00 H new ATOM 0 HA VAL A 63 0.464 -1.417 3.281 1.00 0.00 H new ATOM 0 HB VAL A 63 0.089 -4.337 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.840 -4.749 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.431 -3.732 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.018 -2.993 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.504 -4.677 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.442 -2.917 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.666 -3.615 4.084 1.00 0.00 H new ATOM 1084 N TYR A 64 2.050 -1.334 1.380 1.00 0.00 N ATOM 1085 CA TYR A 64 2.935 -1.140 0.258 1.00 0.00 C ATOM 1086 C TYR A 64 4.377 -1.178 0.715 1.00 0.00 C ATOM 1087 O TYR A 64 4.654 -0.976 1.896 1.00 0.00 O ATOM 1088 CB TYR A 64 2.633 0.206 -0.445 1.00 0.00 C ATOM 1089 CG TYR A 64 2.719 1.442 0.442 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.941 1.960 0.863 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.576 2.090 0.846 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.003 3.076 1.657 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.633 3.205 1.641 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.845 3.693 2.044 1.00 0.00 C ATOM 1095 OH TYR A 64 2.899 4.798 2.848 1.00 0.00 O ATOM 0 H TYR A 64 2.308 -0.802 2.211 1.00 0.00 H new ATOM 0 HA TYR A 64 2.771 -1.948 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.329 0.327 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.632 0.156 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.856 1.474 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.614 1.713 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.959 3.465 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.722 3.697 1.949 1.00 0.00 H new ATOM 0 HH TYR A 64 3.827 5.104 2.921 1.00 0.00 H new ATOM 1105 N GLN A 65 5.273 -1.446 -0.190 1.00 0.00 N ATOM 1106 CA GLN A 65 6.679 -1.400 0.117 1.00 0.00 C ATOM 1107 C GLN A 65 7.315 -0.266 -0.635 1.00 0.00 C ATOM 1108 O GLN A 65 6.970 0.003 -1.794 1.00 0.00 O ATOM 1109 CB GLN A 65 7.405 -2.721 -0.196 1.00 0.00 C ATOM 1110 CG GLN A 65 7.322 -3.171 -1.654 1.00 0.00 C ATOM 1111 CD GLN A 65 8.093 -4.451 -1.941 1.00 0.00 C ATOM 1112 OE1 GLN A 65 7.719 -5.227 -2.823 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.180 -4.676 -1.233 1.00 0.00 N ATOM 0 H GLN A 65 5.056 -1.701 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 65 6.774 -1.242 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.455 -2.615 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.989 -3.506 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.276 -3.319 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.704 -2.375 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.464 -4.015 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.739 -5.511 -1.408 1.00 0.00 H new ATOM 1122 N VAL A 66 8.195 0.419 0.009 1.00 0.00 N ATOM 1123 CA VAL A 66 8.909 1.478 -0.622 1.00 0.00 C ATOM 1124 C VAL A 66 10.196 0.916 -1.163 1.00 0.00 C ATOM 1125 O VAL A 66 11.071 0.495 -0.405 1.00 0.00 O ATOM 1126 CB VAL A 66 9.194 2.639 0.366 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.077 3.707 -0.268 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.888 3.259 0.823 1.00 0.00 C ATOM 0 H VAL A 66 8.441 0.263 0.986 1.00 0.00 H new ATOM 0 HA VAL A 66 8.306 1.891 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 66 9.725 2.227 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.256 4.505 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.028 3.264 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.579 4.116 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.095 4.074 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.347 3.646 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.281 2.503 1.322 1.00 0.00 H new ATOM 1138 N ILE A 67 10.303 0.864 -2.454 1.00 0.00 N ATOM 1139 CA ILE A 67 11.485 0.363 -3.059 1.00 0.00 C ATOM 1140 C ILE A 67 12.308 1.566 -3.445 1.00 0.00 C ATOM 1141 O ILE A 67 12.098 2.174 -4.493 1.00 0.00 O ATOM 1142 CB ILE A 67 11.169 -0.506 -4.310 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.086 -1.546 -3.970 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.434 -1.216 -4.781 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.602 -2.352 -5.158 1.00 0.00 C ATOM 0 H ILE A 67 9.580 1.165 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 67 12.021 -0.285 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 67 10.803 0.142 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.479 -2.230 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.235 -1.034 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.206 -1.823 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.192 -0.476 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.810 -1.857 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.841 -3.061 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.177 -1.681 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.440 -2.895 -5.595 1.00 0.00 H new ATOM 1157 N ASP A 68 13.219 1.922 -2.582 1.00 0.00 N ATOM 1158 CA ASP A 68 14.022 3.109 -2.723 1.00 0.00 C ATOM 1159 C ASP A 68 15.039 2.948 -3.825 1.00 0.00 C ATOM 1160 O ASP A 68 15.377 3.908 -4.518 1.00 0.00 O ATOM 1161 CB ASP A 68 14.696 3.469 -1.385 1.00 0.00 C ATOM 1162 CG ASP A 68 15.710 2.446 -0.884 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.337 1.282 -0.644 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.888 2.810 -0.675 1.00 0.00 O ATOM 0 H ASP A 68 13.430 1.384 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 68 13.366 3.934 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.195 4.432 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.923 3.595 -0.627 1.00 0.00 H new ATOM 1169 N GLU A 69 15.481 1.729 -4.021 1.00 0.00 N ATOM 1170 CA GLU A 69 16.444 1.416 -5.053 1.00 0.00 C ATOM 1171 C GLU A 69 15.825 1.551 -6.442 1.00 0.00 C ATOM 1172 O GLU A 69 16.491 1.944 -7.388 1.00 0.00 O ATOM 1173 CB GLU A 69 17.028 0.029 -4.839 1.00 0.00 C ATOM 1174 CG GLU A 69 17.760 -0.114 -3.516 1.00 0.00 C ATOM 1175 CD GLU A 69 18.354 -1.480 -3.311 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.670 -2.370 -2.756 1.00 0.00 O ATOM 1177 OE2 GLU A 69 19.540 -1.683 -3.682 1.00 0.00 O ATOM 0 H GLU A 69 15.184 0.924 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 69 17.259 2.137 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.225 -0.707 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.715 -0.198 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.554 0.631 -3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.069 0.100 -2.701 1.00 0.00 H new ATOM 1184 N LYS A 70 14.540 1.259 -6.549 1.00 0.00 N ATOM 1185 CA LYS A 70 13.849 1.368 -7.833 1.00 0.00 C ATOM 1186 C LYS A 70 13.052 2.662 -7.925 1.00 0.00 C ATOM 1187 O LYS A 70 12.458 2.962 -8.960 1.00 0.00 O ATOM 1188 CB LYS A 70 12.948 0.157 -8.100 1.00 0.00 C ATOM 1189 CG LYS A 70 13.695 -1.157 -8.234 1.00 0.00 C ATOM 1190 CD LYS A 70 12.748 -2.310 -8.528 1.00 0.00 C ATOM 1191 CE LYS A 70 13.505 -3.616 -8.714 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.599 -4.740 -9.041 1.00 0.00 N ATOM 0 H LYS A 70 13.955 0.947 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 70 14.617 1.386 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.225 0.070 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.381 0.335 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.432 -1.078 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.243 -1.361 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.035 -2.414 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.172 -2.090 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.240 -3.499 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.057 -3.848 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.155 -5.611 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.914 -4.869 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.091 -4.531 -9.924 1.00 0.00 H new ATOM 1206 N VAL A 71 13.060 3.425 -6.825 1.00 0.00 N ATOM 1207 CA VAL A 71 12.385 4.737 -6.720 1.00 0.00 C ATOM 1208 C VAL A 71 10.834 4.566 -6.860 1.00 0.00 C ATOM 1209 O VAL A 71 10.092 5.498 -7.171 1.00 0.00 O ATOM 1210 CB VAL A 71 12.968 5.765 -7.785 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.447 7.186 -7.575 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.495 5.774 -7.753 1.00 0.00 C ATOM 0 H VAL A 71 13.540 3.150 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 71 12.584 5.153 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 71 12.623 5.423 -8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.876 7.846 -8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.361 7.192 -7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.732 7.535 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.870 6.484 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.836 6.067 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.870 4.777 -7.986 1.00 0.00 H new ATOM 1222 N VAL A 72 10.347 3.398 -6.536 1.00 0.00 N ATOM 1223 CA VAL A 72 8.939 3.120 -6.695 1.00 0.00 C ATOM 1224 C VAL A 72 8.348 2.514 -5.427 1.00 0.00 C ATOM 1225 O VAL A 72 8.979 1.717 -4.742 1.00 0.00 O ATOM 1226 CB VAL A 72 8.659 2.205 -7.948 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.358 0.862 -7.838 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.162 2.008 -8.193 1.00 0.00 C ATOM 0 H VAL A 72 10.898 2.626 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 72 8.442 4.073 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 72 9.073 2.732 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.138 0.264 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.434 1.017 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.004 0.339 -6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.017 1.371 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.709 1.537 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.691 2.976 -8.367 1.00 0.00 H new ATOM 1238 N VAL A 73 7.182 2.951 -5.098 1.00 0.00 N ATOM 1239 CA VAL A 73 6.426 2.439 -4.011 1.00 0.00 C ATOM 1240 C VAL A 73 5.434 1.446 -4.590 1.00 0.00 C ATOM 1241 O VAL A 73 4.583 1.804 -5.413 1.00 0.00 O ATOM 1242 CB VAL A 73 5.687 3.573 -3.266 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.867 3.022 -2.130 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.676 4.601 -2.745 1.00 0.00 C ATOM 0 H VAL A 73 6.712 3.705 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 73 7.081 1.958 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 73 5.015 4.059 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.356 3.839 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.130 2.320 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.521 2.507 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.138 5.392 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.372 4.121 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.230 5.029 -3.581 1.00 0.00 H new ATOM 1254 N PHE A 74 5.566 0.226 -4.192 1.00 0.00 N ATOM 1255 CA PHE A 74 4.804 -0.850 -4.753 1.00 0.00 C ATOM 1256 C PHE A 74 3.751 -1.325 -3.763 1.00 0.00 C ATOM 1257 O PHE A 74 4.086 -1.810 -2.679 1.00 0.00 O ATOM 1258 CB PHE A 74 5.776 -1.984 -5.112 1.00 0.00 C ATOM 1259 CG PHE A 74 5.172 -3.175 -5.795 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.959 -3.167 -7.162 1.00 0.00 C ATOM 1261 CD2 PHE A 74 4.849 -4.315 -5.077 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.435 -4.269 -7.800 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.319 -5.417 -5.708 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.114 -5.394 -7.073 1.00 0.00 C ATOM 0 H PHE A 74 6.214 -0.061 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 74 4.280 -0.518 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.556 -1.577 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.262 -2.322 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.207 -2.286 -7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.015 -4.339 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.276 -4.251 -8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.064 -6.298 -5.137 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.702 -6.259 -7.571 1.00 0.00 H new ATOM 1274 N VAL A 75 2.493 -1.137 -4.111 1.00 0.00 N ATOM 1275 CA VAL A 75 1.391 -1.616 -3.302 1.00 0.00 C ATOM 1276 C VAL A 75 1.321 -3.120 -3.418 1.00 0.00 C ATOM 1277 O VAL A 75 1.172 -3.668 -4.519 1.00 0.00 O ATOM 1278 CB VAL A 75 0.036 -0.978 -3.714 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.128 -1.546 -2.893 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.104 0.539 -3.580 1.00 0.00 C ATOM 0 H VAL A 75 2.207 -0.649 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 75 1.572 -1.324 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.150 -1.230 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.059 -1.076 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.193 -2.623 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.960 -1.343 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.852 0.973 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.322 0.803 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.891 0.926 -4.227 1.00 0.00 H new ATOM 1290 N ILE A 76 1.425 -3.767 -2.295 1.00 0.00 N ATOM 1291 CA ILE A 76 1.511 -5.200 -2.244 1.00 0.00 C ATOM 1292 C ILE A 76 0.145 -5.802 -1.998 1.00 0.00 C ATOM 1293 O ILE A 76 -0.243 -6.790 -2.616 1.00 0.00 O ATOM 1294 CB ILE A 76 2.421 -5.614 -1.068 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.767 -4.910 -1.156 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.619 -7.122 -1.045 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.628 -5.135 0.052 1.00 0.00 C ATOM 0 H ILE A 76 1.453 -3.314 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 76 1.910 -5.554 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 76 1.931 -5.314 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.296 -5.260 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.603 -3.840 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.263 -7.392 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.653 -7.614 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.083 -7.442 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.574 -4.607 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.116 -4.760 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.820 -6.202 0.168 1.00 0.00 H new ATOM 1309 N SER A 77 -0.590 -5.206 -1.098 1.00 0.00 N ATOM 1310 CA SER A 77 -1.865 -5.737 -0.706 1.00 0.00 C ATOM 1311 C SER A 77 -2.784 -4.618 -0.277 1.00 0.00 C ATOM 1312 O SER A 77 -2.323 -3.575 0.209 1.00 0.00 O ATOM 1313 CB SER A 77 -1.667 -6.737 0.442 1.00 0.00 C ATOM 1314 OG SER A 77 -0.768 -7.766 0.056 1.00 0.00 O ATOM 0 H SER A 77 -0.324 -4.345 -0.620 1.00 0.00 H new ATOM 0 HA SER A 77 -2.321 -6.250 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.281 -6.220 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.626 -7.171 0.724 1.00 0.00 H new ATOM 0 HG SER A 77 -0.948 -8.026 -0.872 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.062 -4.816 -0.469 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.044 -3.842 -0.103 1.00 0.00 C ATOM 1322 C VAL A 78 -6.335 -4.563 0.308 1.00 0.00 C ATOM 1323 O VAL A 78 -6.727 -5.572 -0.314 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.282 -2.813 -1.263 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.842 -3.464 -2.520 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.146 -1.651 -0.815 1.00 0.00 C ATOM 0 H VAL A 78 -4.448 -5.663 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.685 -3.263 0.748 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.301 -2.417 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.987 -2.705 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.143 -4.218 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.798 -3.935 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.287 -0.961 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.115 -2.024 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.658 -1.131 0.009 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.935 -4.113 1.374 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.142 -4.718 1.861 1.00 0.00 C ATOM 1338 C GLY A 79 -8.397 -4.344 3.293 1.00 0.00 C ATOM 1339 O GLY A 79 -8.298 -3.182 3.647 1.00 0.00 O ATOM 0 H GLY A 79 -6.604 -3.322 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.984 -4.403 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.070 -5.802 1.773 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.670 -5.306 4.126 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.012 -5.027 5.509 1.00 0.00 C ATOM 1345 C LYS A 80 -7.948 -5.549 6.446 1.00 0.00 C ATOM 1346 O LYS A 80 -7.096 -6.349 6.060 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.335 -5.694 5.891 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.500 -5.400 4.965 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.814 -5.963 5.508 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.750 -7.467 5.806 1.00 0.00 C ATOM 1351 NZ LYS A 80 -12.412 -8.282 4.617 1.00 0.00 N ATOM 0 H LYS A 80 -8.665 -6.296 3.880 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.096 -3.944 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.183 -6.773 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.605 -5.378 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.594 -4.322 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.300 -5.827 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.081 -5.429 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.608 -5.776 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.008 -7.646 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.712 -7.794 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.401 -9.289 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.123 -8.125 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.474 -8.006 4.262 1.00 0.00 H new ATOM 1365 N ALA A 81 -8.005 -5.112 7.667 1.00 0.00 N ATOM 1366 CA ALA A 81 -7.157 -5.644 8.686 1.00 0.00 C ATOM 1367 C ALA A 81 -8.009 -6.022 9.855 1.00 0.00 C ATOM 1368 O ALA A 81 -8.067 -5.332 10.871 1.00 0.00 O ATOM 1369 CB ALA A 81 -6.031 -4.708 9.084 1.00 0.00 C ATOM 0 H ALA A 81 -8.639 -4.378 7.983 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.653 -6.525 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.427 -5.176 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.407 -4.500 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.450 -3.775 9.462 1.00 0.00 H new ATOM 1426 N VAL A 86 -4.459 -8.379 5.278 1.00 0.00 N ATOM 1427 CA VAL A 86 -3.464 -7.720 4.440 1.00 0.00 C ATOM 1428 C VAL A 86 -2.042 -8.046 4.858 1.00 0.00 C ATOM 1429 O VAL A 86 -1.106 -7.750 4.143 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.654 -6.182 4.384 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.941 -5.832 3.667 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -3.645 -5.575 5.784 1.00 0.00 C ATOM 0 HA VAL A 86 -3.627 -8.120 3.439 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.817 -5.761 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.058 -4.749 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.908 -6.222 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.785 -6.273 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.780 -4.496 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.456 -6.005 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.692 -5.790 6.268 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.887 -8.681 5.994 1.00 0.00 N ATOM 1443 CA TYR A 87 -0.559 -8.978 6.502 1.00 0.00 C ATOM 1444 C TYR A 87 -0.030 -10.259 5.916 1.00 0.00 C ATOM 1445 O TYR A 87 1.100 -10.300 5.417 1.00 0.00 O ATOM 1446 CB TYR A 87 -0.540 -9.032 8.024 1.00 0.00 C ATOM 1447 CG TYR A 87 -0.790 -7.699 8.686 1.00 0.00 C ATOM 1448 CD1 TYR A 87 -2.079 -7.235 8.901 1.00 0.00 C ATOM 1449 CD2 TYR A 87 0.271 -6.907 9.103 1.00 0.00 C ATOM 1450 CE1 TYR A 87 -2.303 -6.023 9.513 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.053 -5.692 9.714 1.00 0.00 C ATOM 1452 CZ TYR A 87 -1.236 -5.256 9.915 1.00 0.00 C ATOM 1453 OH TYR A 87 -1.462 -4.052 10.532 1.00 0.00 O ATOM 0 H TYR A 87 -2.654 -9.002 6.585 1.00 0.00 H new ATOM 0 HA TYR A 87 0.097 -8.165 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.295 -9.742 8.362 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.427 -9.414 8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.920 -7.834 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.283 -7.249 8.946 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.313 -5.676 9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.888 -5.086 10.033 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.523 -4.187 11.501 1.00 0.00 H new ATOM 1463 N SER A 88 -0.856 -11.291 5.927 1.00 0.00 N ATOM 1464 CA SER A 88 -0.466 -12.572 5.391 1.00 0.00 C ATOM 1465 C SER A 88 -0.273 -12.469 3.889 1.00 0.00 C ATOM 1466 O SER A 88 0.645 -13.071 3.312 1.00 0.00 O ATOM 1467 CB SER A 88 -1.519 -13.621 5.739 1.00 0.00 C ATOM 1468 OG SER A 88 -2.811 -13.213 5.294 1.00 0.00 O ATOM 0 H SER A 88 -1.803 -11.261 6.304 1.00 0.00 H new ATOM 0 HA SER A 88 0.482 -12.878 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.255 -14.573 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.535 -13.782 6.817 1.00 0.00 H new ATOM 0 HG SER A 88 -3.469 -13.901 5.526 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.120 -11.664 3.279 1.00 0.00 N ATOM 1475 CA GLU A 89 -1.096 -11.446 1.865 1.00 0.00 C ATOM 1476 C GLU A 89 0.206 -10.740 1.480 1.00 0.00 C ATOM 1477 O GLU A 89 0.894 -11.147 0.534 1.00 0.00 O ATOM 1478 CB GLU A 89 -2.306 -10.603 1.464 1.00 0.00 C ATOM 1479 CG GLU A 89 -2.569 -10.570 -0.022 1.00 0.00 C ATOM 1480 CD GLU A 89 -2.915 -11.932 -0.558 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -4.105 -12.289 -0.581 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -2.015 -12.671 -0.987 1.00 0.00 O ATOM 0 H GLU A 89 -1.849 -11.142 3.766 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.143 -12.400 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.190 -10.992 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.158 -9.583 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.385 -9.879 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.688 -10.189 -0.539 1.00 0.00 H new ATOM 1489 N ALA A 90 0.566 -9.728 2.258 1.00 0.00 N ATOM 1490 CA ALA A 90 1.761 -8.955 2.012 1.00 0.00 C ATOM 1491 C ALA A 90 3.013 -9.809 2.127 1.00 0.00 C ATOM 1492 O ALA A 90 3.771 -9.929 1.168 1.00 0.00 O ATOM 1493 CB ALA A 90 1.843 -7.759 2.945 1.00 0.00 C ATOM 0 H ALA A 90 0.034 -9.426 3.074 1.00 0.00 H new ATOM 0 HA ALA A 90 1.701 -8.586 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.753 -7.196 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.976 -7.117 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.859 -8.104 3.979 1.00 0.00 H new