USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 14 LYS NZ :NH3+ -172:sc= 0.761 (180deg=0.357) USER MOD Set 1.2: A 17 ASN : amide:sc= -0.725 K(o=1.3,f=0.24) USER MOD Set 1.3: A 82 THR OG1 : rot -99:sc= 1.28 USER MOD Set 2.1: A 77 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 81 ASN : amide:sc= 0.156 X(o=0.16,f=0.2) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -1.95! C(o=-0.7!,f=-3.7!) USER MOD Set 3.2: A 92 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.16) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.274 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 33 HIS : no HE2:sc= -3.61! C(o=-3.6!,f=-4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.373 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0466 (180deg=-0.341) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 92:sc= 1.31 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0535 X(o=-0.053,f=-0.48) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 72 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.52) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 87 HIS : no HD1:sc= 1.04 K(o=1,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.723 -9.198 -8.868 1.00 15.35 N ATOM 61 CA GLY A 5 -5.379 -9.629 -9.156 1.00 2.52 C ATOM 62 C GLY A 5 -4.772 -8.687 -10.151 1.00 31.20 C ATOM 63 O GLY A 5 -3.627 -8.854 -10.540 1.00 43.52 O ATOM 0 HA2 GLY A 5 -4.785 -9.647 -8.242 1.00 2.52 H new ATOM 0 HA3 GLY A 5 -5.385 -10.644 -9.553 1.00 2.52 H new ATOM 67 N ASP A 6 -5.529 -7.664 -10.597 1.00 54.13 N ATOM 68 CA ASP A 6 -4.989 -6.736 -11.584 1.00 65.44 C ATOM 69 C ASP A 6 -4.092 -5.787 -10.839 1.00 74.54 C ATOM 70 O ASP A 6 -4.402 -5.378 -9.712 1.00 12.02 O ATOM 71 CB ASP A 6 -6.073 -5.904 -12.333 1.00 60.51 C ATOM 72 CG ASP A 6 -5.479 -5.218 -13.564 1.00 52.44 C ATOM 73 OD1 ASP A 6 -4.349 -5.588 -13.992 1.00 3.10 O ATOM 74 OD2 ASP A 6 -6.171 -4.357 -14.155 1.00 14.25 O ATOM 0 H ASP A 6 -6.484 -7.471 -10.295 1.00 54.13 H new ATOM 0 HA ASP A 6 -4.472 -7.319 -12.346 1.00 65.44 H new ATOM 0 HB2 ASP A 6 -6.893 -6.555 -12.635 1.00 60.51 H new ATOM 0 HB3 ASP A 6 -6.492 -5.155 -11.661 1.00 60.51 H new ATOM 79 N ILE A 7 -2.955 -5.453 -11.445 1.00 10.31 N ATOM 80 CA ILE A 7 -2.006 -4.582 -10.874 1.00 44.14 C ATOM 81 C ILE A 7 -2.225 -3.247 -11.491 1.00 15.40 C ATOM 82 O ILE A 7 -2.315 -3.130 -12.720 1.00 50.01 O ATOM 83 CB ILE A 7 -0.628 -5.048 -11.157 1.00 22.22 C ATOM 84 CG1 ILE A 7 -0.517 -6.361 -10.490 1.00 22.24 C ATOM 85 CG2 ILE A 7 0.411 -3.990 -10.685 1.00 54.15 C ATOM 86 CD1 ILE A 7 0.795 -6.973 -10.601 1.00 72.01 C ATOM 0 H ILE A 7 -2.689 -5.803 -12.365 1.00 10.31 H new ATOM 0 HA ILE A 7 -2.123 -4.545 -9.791 1.00 44.14 H new ATOM 0 HB ILE A 7 -0.418 -5.166 -12.220 1.00 22.22 H new ATOM 0 HG12 ILE A 7 -0.763 -6.242 -9.435 1.00 22.24 H new ATOM 0 HG13 ILE A 7 -1.259 -7.037 -10.916 1.00 22.24 H new ATOM 0 HG21 ILE A 7 1.418 -4.348 -10.900 1.00 54.15 H new ATOM 0 HG22 ILE A 7 0.239 -3.051 -11.212 1.00 54.15 H new ATOM 0 HG23 ILE A 7 0.305 -3.829 -9.612 1.00 54.15 H new ATOM 0 HD11 ILE A 7 0.793 -7.933 -10.085 1.00 72.01 H new ATOM 0 HD12 ILE A 7 1.037 -7.126 -11.653 1.00 72.01 H new ATOM 0 HD13 ILE A 7 1.541 -6.320 -10.148 1.00 72.01 H new ATOM 98 N PHE A 8 -2.327 -2.210 -10.659 1.00 62.34 N ATOM 99 CA PHE A 8 -2.486 -0.878 -11.173 1.00 22.15 C ATOM 100 C PHE A 8 -1.616 0.024 -10.384 1.00 3.11 C ATOM 101 O PHE A 8 -1.246 -0.282 -9.252 1.00 24.22 O ATOM 102 CB PHE A 8 -3.957 -0.315 -11.242 1.00 40.53 C ATOM 103 CG PHE A 8 -4.650 -0.318 -9.891 1.00 14.42 C ATOM 104 CD1 PHE A 8 -4.881 -1.523 -9.177 1.00 21.05 C ATOM 105 CD2 PHE A 8 -5.143 0.897 -9.342 1.00 31.22 C ATOM 106 CE1 PHE A 8 -5.565 -1.508 -7.959 1.00 54.24 C ATOM 107 CE2 PHE A 8 -5.861 0.896 -8.127 1.00 12.34 C ATOM 108 CZ PHE A 8 -6.065 -0.306 -7.437 1.00 10.31 C ATOM 0 H PHE A 8 -2.301 -2.279 -9.642 1.00 62.34 H new ATOM 0 HA PHE A 8 -2.195 -0.926 -12.222 1.00 22.15 H new ATOM 0 HB2 PHE A 8 -3.934 0.703 -11.632 1.00 40.53 H new ATOM 0 HB3 PHE A 8 -4.538 -0.912 -11.945 1.00 40.53 H new ATOM 0 HD1 PHE A 8 -4.525 -2.460 -9.579 1.00 21.05 H new ATOM 0 HD2 PHE A 8 -4.967 1.829 -9.859 1.00 31.22 H new ATOM 0 HE1 PHE A 8 -5.710 -2.430 -7.415 1.00 54.24 H new ATOM 0 HE2 PHE A 8 -6.253 1.821 -7.730 1.00 12.34 H new ATOM 0 HZ PHE A 8 -6.607 -0.307 -6.503 1.00 10.31 H new ATOM 118 N GLU A 9 -1.215 1.141 -11.010 1.00 13.22 N ATOM 119 CA GLU A 9 -0.373 2.105 -10.364 1.00 43.10 C ATOM 120 C GLU A 9 -1.243 3.258 -10.031 1.00 4.55 C ATOM 121 O GLU A 9 -2.143 3.594 -10.804 1.00 22.41 O ATOM 122 CB GLU A 9 0.751 2.630 -11.282 1.00 71.24 C ATOM 123 CG GLU A 9 1.628 1.511 -11.866 1.00 31.04 C ATOM 124 CD GLU A 9 2.794 2.150 -12.569 1.00 51.44 C ATOM 125 OE1 GLU A 9 3.449 3.027 -11.950 1.00 51.32 O ATOM 126 OE2 GLU A 9 3.067 1.799 -13.731 1.00 62.10 O ATOM 0 H GLU A 9 -1.473 1.381 -11.967 1.00 13.22 H new ATOM 0 HA GLU A 9 0.097 1.636 -9.500 1.00 43.10 H new ATOM 0 HB2 GLU A 9 0.308 3.199 -12.099 1.00 71.24 H new ATOM 0 HB3 GLU A 9 1.380 3.319 -10.718 1.00 71.24 H new ATOM 0 HG2 GLU A 9 1.978 0.849 -11.074 1.00 31.04 H new ATOM 0 HG3 GLU A 9 1.052 0.900 -12.561 1.00 31.04 H new ATOM 133 N VAL A 10 -1.001 3.900 -8.876 1.00 53.45 N ATOM 134 CA VAL A 10 -1.765 5.053 -8.504 1.00 32.01 C ATOM 135 C VAL A 10 -0.811 5.999 -7.834 1.00 25.21 C ATOM 136 O VAL A 10 0.205 5.579 -7.251 1.00 3.33 O ATOM 137 CB VAL A 10 -2.905 4.746 -7.540 1.00 53.23 C ATOM 138 CG1 VAL A 10 -3.927 3.863 -8.277 1.00 23.22 C ATOM 139 CG2 VAL A 10 -2.314 4.067 -6.276 1.00 32.34 C ATOM 0 H VAL A 10 -0.284 3.626 -8.204 1.00 53.45 H new ATOM 0 HA VAL A 10 -2.226 5.465 -9.401 1.00 32.01 H new ATOM 0 HB VAL A 10 -3.422 5.647 -7.210 1.00 53.23 H new ATOM 0 HG11 VAL A 10 -4.755 3.628 -7.608 1.00 23.22 H new ATOM 0 HG12 VAL A 10 -4.306 4.395 -9.150 1.00 23.22 H new ATOM 0 HG13 VAL A 10 -3.446 2.939 -8.597 1.00 23.22 H new ATOM 0 HG21 VAL A 10 -3.118 3.841 -5.575 1.00 32.34 H new ATOM 0 HG22 VAL A 10 -1.810 3.143 -6.561 1.00 32.34 H new ATOM 0 HG23 VAL A 10 -1.599 4.739 -5.803 1.00 32.34 H new ATOM 149 N GLU A 11 -1.115 7.292 -7.934 1.00 31.45 N ATOM 150 CA GLU A 11 -0.390 8.301 -7.215 1.00 14.12 C ATOM 151 C GLU A 11 -1.355 8.874 -6.204 1.00 2.12 C ATOM 152 O GLU A 11 -2.493 9.216 -6.547 1.00 52.51 O ATOM 153 CB GLU A 11 0.129 9.429 -8.142 1.00 33.22 C ATOM 154 CG GLU A 11 -0.910 9.947 -9.158 1.00 63.44 C ATOM 155 CD GLU A 11 -0.217 10.926 -10.075 1.00 41.41 C ATOM 156 OE1 GLU A 11 0.249 11.984 -9.587 1.00 25.44 O ATOM 157 OE2 GLU A 11 -0.111 10.638 -11.287 1.00 62.24 O ATOM 0 H GLU A 11 -1.870 7.654 -8.517 1.00 31.45 H new ATOM 0 HA GLU A 11 0.491 7.861 -6.747 1.00 14.12 H new ATOM 0 HB2 GLU A 11 0.464 10.263 -7.526 1.00 33.22 H new ATOM 0 HB3 GLU A 11 1.000 9.064 -8.686 1.00 33.22 H new ATOM 0 HG2 GLU A 11 -1.329 9.119 -9.730 1.00 63.44 H new ATOM 0 HG3 GLU A 11 -1.740 10.430 -8.642 1.00 63.44 H new ATOM 164 N LEU A 12 -0.938 8.944 -4.915 1.00 22.44 N ATOM 165 CA LEU A 12 -1.818 9.473 -3.882 1.00 4.01 C ATOM 166 C LEU A 12 -1.081 10.470 -3.112 1.00 11.15 C ATOM 167 O LEU A 12 0.083 10.287 -2.787 1.00 75.52 O ATOM 168 CB LEU A 12 -2.324 8.443 -2.868 1.00 73.42 C ATOM 169 CG LEU A 12 -3.393 7.563 -3.431 1.00 71.34 C ATOM 170 CD1 LEU A 12 -2.826 6.231 -3.893 1.00 40.23 C ATOM 171 CD2 LEU A 12 -4.569 7.457 -2.464 1.00 64.32 C ATOM 0 H LEU A 12 -0.020 8.645 -4.587 1.00 22.44 H new ATOM 0 HA LEU A 12 -2.684 9.865 -4.416 1.00 4.01 H new ATOM 0 HB2 LEU A 12 -1.489 7.827 -2.534 1.00 73.42 H new ATOM 0 HB3 LEU A 12 -2.709 8.961 -1.990 1.00 73.42 H new ATOM 0 HG LEU A 12 -3.799 8.020 -4.334 1.00 71.34 H new ATOM 0 HD11 LEU A 12 -3.629 5.614 -4.297 1.00 40.23 H new ATOM 0 HD12 LEU A 12 -2.077 6.403 -4.666 1.00 40.23 H new ATOM 0 HD13 LEU A 12 -2.365 5.719 -3.048 1.00 40.23 H new ATOM 0 HD21 LEU A 12 -5.336 6.812 -2.893 1.00 64.32 H new ATOM 0 HD22 LEU A 12 -4.226 7.035 -1.519 1.00 64.32 H new ATOM 0 HD23 LEU A 12 -4.986 8.449 -2.288 1.00 64.32 H new ATOM 183 N ALA A 13 -1.773 11.550 -2.767 1.00 64.24 N ATOM 184 CA ALA A 13 -1.191 12.560 -1.931 1.00 44.03 C ATOM 185 C ALA A 13 -1.489 12.154 -0.542 1.00 43.30 C ATOM 186 O ALA A 13 -2.581 11.728 -0.247 1.00 64.32 O ATOM 187 CB ALA A 13 -1.789 13.957 -2.125 1.00 10.42 C ATOM 0 H ALA A 13 -2.733 11.736 -3.058 1.00 64.24 H new ATOM 0 HA ALA A 13 -0.131 12.631 -2.176 1.00 44.03 H new ATOM 0 HB1 ALA A 13 -1.294 14.661 -1.456 1.00 10.42 H new ATOM 0 HB2 ALA A 13 -1.644 14.275 -3.158 1.00 10.42 H new ATOM 0 HB3 ALA A 13 -2.855 13.931 -1.899 1.00 10.42 H new ATOM 193 N LYS A 14 -0.505 12.288 0.344 1.00 31.23 N ATOM 194 CA LYS A 14 -0.702 11.937 1.740 1.00 72.35 C ATOM 195 C LYS A 14 -1.543 13.006 2.391 1.00 64.25 C ATOM 196 O LYS A 14 -2.262 12.731 3.338 1.00 41.42 O ATOM 197 CB LYS A 14 0.625 11.779 2.502 1.00 63.32 C ATOM 198 CG LYS A 14 1.322 10.478 2.105 1.00 0.34 C ATOM 199 CD LYS A 14 2.707 10.256 2.714 1.00 4.25 C ATOM 200 CE LYS A 14 3.799 11.053 2.008 1.00 64.53 C ATOM 201 NZ LYS A 14 5.143 10.684 2.502 1.00 51.53 N ATOM 0 H LYS A 14 0.428 12.634 0.119 1.00 31.23 H new ATOM 0 HA LYS A 14 -1.204 10.970 1.779 1.00 72.35 H new ATOM 0 HB2 LYS A 14 1.276 12.627 2.288 1.00 63.32 H new ATOM 0 HB3 LYS A 14 0.437 11.784 3.576 1.00 63.32 H new ATOM 0 HG2 LYS A 14 0.682 9.643 2.390 1.00 0.34 H new ATOM 0 HG3 LYS A 14 1.414 10.453 1.019 1.00 0.34 H new ATOM 0 HD2 LYS A 14 2.684 10.534 3.768 1.00 4.25 H new ATOM 0 HD3 LYS A 14 2.952 9.195 2.670 1.00 4.25 H new ATOM 0 HE2 LYS A 14 3.744 10.876 0.934 1.00 64.53 H new ATOM 0 HE3 LYS A 14 3.632 12.119 2.165 1.00 64.53 H new ATOM 0 HZ1 LYS A 14 5.850 11.334 2.104 1.00 51.53 H new ATOM 0 HZ2 LYS A 14 5.161 10.747 3.540 1.00 51.53 H new ATOM 0 HZ3 LYS A 14 5.365 9.711 2.210 1.00 51.53 H new ATOM 215 N ASN A 15 -1.491 14.237 1.831 1.00 52.10 N ATOM 216 CA ASN A 15 -2.229 15.397 2.357 1.00 35.11 C ATOM 217 C ASN A 15 -1.647 15.790 3.703 1.00 62.31 C ATOM 218 O ASN A 15 -1.764 15.065 4.690 1.00 43.21 O ATOM 219 CB ASN A 15 -3.774 15.207 2.477 1.00 24.15 C ATOM 220 CG ASN A 15 -4.406 16.533 2.900 1.00 20.01 C ATOM 221 OD1 ASN A 15 -4.318 17.533 2.180 1.00 42.33 O ATOM 222 ND2 ASN A 15 -5.047 16.551 4.078 1.00 32.41 N ATOM 0 H ASN A 15 -0.935 14.448 1.002 1.00 52.10 H new ATOM 0 HA ASN A 15 -2.101 16.189 1.619 1.00 35.11 H new ATOM 0 HB2 ASN A 15 -4.188 14.879 1.524 1.00 24.15 H new ATOM 0 HB3 ASN A 15 -4.002 14.431 3.207 1.00 24.15 H new ATOM 0 HD21 ASN A 15 -5.484 17.412 4.408 1.00 32.41 H new ATOM 0 HD22 ASN A 15 -5.098 15.704 4.644 1.00 32.41 H new ATOM 229 N ASP A 16 -0.981 16.975 3.747 1.00 73.31 N ATOM 230 CA ASP A 16 -0.288 17.472 4.956 1.00 34.12 C ATOM 231 C ASP A 16 0.714 16.423 5.397 1.00 54.22 C ATOM 232 O ASP A 16 0.886 16.162 6.587 1.00 55.51 O ATOM 233 CB ASP A 16 -1.234 17.865 6.139 1.00 11.05 C ATOM 234 CG ASP A 16 -0.482 18.716 7.173 1.00 2.22 C ATOM 235 OD1 ASP A 16 0.737 18.982 7.000 1.00 64.53 O ATOM 236 OD2 ASP A 16 -1.122 19.137 8.165 1.00 43.53 O ATOM 0 H ASP A 16 -0.912 17.605 2.948 1.00 73.31 H new ATOM 0 HA ASP A 16 0.206 18.404 4.681 1.00 34.12 H new ATOM 0 HB2 ASP A 16 -2.091 18.420 5.757 1.00 11.05 H new ATOM 0 HB3 ASP A 16 -1.623 16.965 6.615 1.00 11.05 H new ATOM 241 N ASN A 17 1.388 15.822 4.370 1.00 11.40 N ATOM 242 CA ASN A 17 2.431 14.763 4.474 1.00 31.21 C ATOM 243 C ASN A 17 2.109 13.633 5.494 1.00 4.05 C ATOM 244 O ASN A 17 2.982 12.835 5.818 1.00 12.23 O ATOM 245 CB ASN A 17 3.857 15.344 4.735 1.00 23.04 C ATOM 246 CG ASN A 17 4.933 14.322 4.330 1.00 13.21 C ATOM 247 OD1 ASN A 17 4.932 13.802 3.210 1.00 63.24 O ATOM 248 ND2 ASN A 17 5.874 14.040 5.236 1.00 23.54 N ATOM 0 H ASN A 17 1.206 16.079 3.400 1.00 11.40 H new ATOM 0 HA ASN A 17 2.423 14.297 3.489 1.00 31.21 H new ATOM 0 HB2 ASN A 17 3.990 16.266 4.169 1.00 23.04 H new ATOM 0 HB3 ASN A 17 3.966 15.598 5.789 1.00 23.04 H new ATOM 0 HD21 ASN A 17 6.618 13.379 5.010 1.00 23.54 H new ATOM 0 HD22 ASN A 17 5.849 14.485 6.153 1.00 23.54 H new ATOM 255 N SER A 18 0.866 13.537 6.012 1.00 12.51 N ATOM 256 CA SER A 18 0.556 12.551 7.026 1.00 61.52 C ATOM 257 C SER A 18 -0.055 11.377 6.333 1.00 12.35 C ATOM 258 O SER A 18 -1.006 11.520 5.570 1.00 21.41 O ATOM 259 CB SER A 18 -0.460 13.079 8.088 1.00 44.45 C ATOM 260 OG SER A 18 -0.751 12.102 9.117 1.00 43.22 O ATOM 0 H SER A 18 0.082 14.129 5.738 1.00 12.51 H new ATOM 0 HA SER A 18 1.476 12.297 7.553 1.00 61.52 H new ATOM 0 HB2 SER A 18 -0.059 13.980 8.552 1.00 44.45 H new ATOM 0 HB3 SER A 18 -1.387 13.362 7.589 1.00 44.45 H new ATOM 0 HG SER A 18 -1.389 12.481 9.757 1.00 43.22 H new ATOM 266 N LEU A 19 0.474 10.183 6.617 1.00 75.31 N ATOM 267 CA LEU A 19 -0.103 8.962 6.133 1.00 33.41 C ATOM 268 C LEU A 19 -0.317 8.189 7.373 1.00 44.31 C ATOM 269 O LEU A 19 0.502 8.280 8.293 1.00 54.44 O ATOM 270 CB LEU A 19 0.881 8.150 5.252 1.00 12.33 C ATOM 271 CG LEU A 19 0.294 6.919 4.540 1.00 53.21 C ATOM 272 CD1 LEU A 19 -0.760 7.300 3.483 1.00 41.31 C ATOM 273 CD2 LEU A 19 1.394 6.013 3.954 1.00 1.11 C ATOM 0 H LEU A 19 1.310 10.054 7.187 1.00 75.31 H new ATOM 0 HA LEU A 19 -0.989 9.157 5.528 1.00 33.41 H new ATOM 0 HB2 LEU A 19 1.296 8.817 4.497 1.00 12.33 H new ATOM 0 HB3 LEU A 19 1.711 7.821 5.878 1.00 12.33 H new ATOM 0 HG LEU A 19 -0.226 6.339 5.302 1.00 53.21 H new ATOM 0 HD11 LEU A 19 -1.143 6.396 3.009 1.00 41.31 H new ATOM 0 HD12 LEU A 19 -1.580 7.834 3.963 1.00 41.31 H new ATOM 0 HD13 LEU A 19 -0.303 7.940 2.728 1.00 41.31 H new ATOM 0 HD21 LEU A 19 0.935 5.156 3.461 1.00 1.11 H new ATOM 0 HD22 LEU A 19 1.982 6.577 3.230 1.00 1.11 H new ATOM 0 HD23 LEU A 19 2.044 5.664 4.757 1.00 1.11 H new ATOM 285 N GLY A 20 -1.405 7.443 7.473 1.00 2.30 N ATOM 286 CA GLY A 20 -1.614 6.649 8.653 1.00 2.44 C ATOM 287 C GLY A 20 -2.619 5.623 8.294 1.00 51.23 C ATOM 288 O GLY A 20 -3.724 5.601 8.831 1.00 12.20 O ATOM 0 H GLY A 20 -2.136 7.376 6.765 1.00 2.30 H new ATOM 0 HA2 GLY A 20 -0.683 6.184 8.978 1.00 2.44 H new ATOM 0 HA3 GLY A 20 -1.967 7.266 9.479 1.00 2.44 H new ATOM 292 N ILE A 21 -2.256 4.732 7.356 1.00 74.13 N ATOM 293 CA ILE A 21 -3.153 3.672 6.941 1.00 52.05 C ATOM 294 C ILE A 21 -2.882 2.527 7.909 1.00 64.24 C ATOM 295 O ILE A 21 -2.001 2.647 8.772 1.00 1.33 O ATOM 296 CB ILE A 21 -2.949 3.205 5.480 1.00 24.10 C ATOM 297 CG1 ILE A 21 -2.477 4.366 4.575 1.00 24.11 C ATOM 298 CG2 ILE A 21 -4.273 2.615 4.960 1.00 34.22 C ATOM 299 CD1 ILE A 21 -3.483 5.526 4.483 1.00 3.32 C ATOM 0 H ILE A 21 -1.353 4.735 6.882 1.00 74.13 H new ATOM 0 HA ILE A 21 -4.183 4.029 6.966 1.00 52.05 H new ATOM 0 HB ILE A 21 -2.169 2.444 5.456 1.00 24.10 H new ATOM 0 HG12 ILE A 21 -1.529 4.748 4.954 1.00 24.11 H new ATOM 0 HG13 ILE A 21 -2.288 3.980 3.573 1.00 24.11 H new ATOM 0 HG21 ILE A 21 -4.143 2.282 3.930 1.00 34.22 H new ATOM 0 HG22 ILE A 21 -4.563 1.768 5.582 1.00 34.22 H new ATOM 0 HG23 ILE A 21 -5.051 3.377 4.999 1.00 34.22 H new ATOM 0 HD11 ILE A 21 -3.084 6.303 3.831 1.00 3.32 H new ATOM 0 HD12 ILE A 21 -4.425 5.159 4.075 1.00 3.32 H new ATOM 0 HD13 ILE A 21 -3.654 5.939 5.477 1.00 3.32 H new ATOM 311 N CYS A 22 -3.617 1.407 7.802 1.00 64.30 N ATOM 312 CA CYS A 22 -3.317 0.289 8.701 1.00 44.23 C ATOM 313 C CYS A 22 -3.077 -0.851 7.776 1.00 74.13 C ATOM 314 O CYS A 22 -3.406 -0.771 6.596 1.00 72.21 O ATOM 315 CB CYS A 22 -4.553 -0.102 9.563 1.00 63.04 C ATOM 316 SG CYS A 22 -5.398 1.344 10.340 1.00 34.34 S ATOM 0 H CYS A 22 -4.380 1.257 7.141 1.00 64.30 H new ATOM 0 HA CYS A 22 -2.494 0.539 9.371 1.00 44.23 H new ATOM 0 HB2 CYS A 22 -5.268 -0.637 8.937 1.00 63.04 H new ATOM 0 HB3 CYS A 22 -4.236 -0.791 10.346 1.00 63.04 H new ATOM 0 HG CYS A 22 -6.415 0.930 11.036 1.00 34.34 H new ATOM 321 N VAL A 23 -2.331 -1.874 8.237 1.00 41.25 N ATOM 322 CA VAL A 23 -1.820 -2.849 7.308 1.00 24.00 C ATOM 323 C VAL A 23 -1.694 -4.158 8.029 1.00 35.53 C ATOM 324 O VAL A 23 -1.876 -4.241 9.241 1.00 72.11 O ATOM 325 CB VAL A 23 -0.455 -2.482 6.717 1.00 33.10 C ATOM 326 CG1 VAL A 23 -0.653 -1.371 5.653 1.00 63.21 C ATOM 327 CG2 VAL A 23 0.515 -2.074 7.861 1.00 40.01 C ATOM 0 H VAL A 23 -2.086 -2.028 9.215 1.00 41.25 H new ATOM 0 HA VAL A 23 -2.519 -2.898 6.473 1.00 24.00 H new ATOM 0 HB VAL A 23 0.000 -3.335 6.214 1.00 33.10 H new ATOM 0 HG11 VAL A 23 0.312 -1.101 5.225 1.00 63.21 H new ATOM 0 HG12 VAL A 23 -1.311 -1.736 4.864 1.00 63.21 H new ATOM 0 HG13 VAL A 23 -1.100 -0.494 6.121 1.00 63.21 H new ATOM 0 HG21 VAL A 23 1.486 -1.813 7.439 1.00 40.01 H new ATOM 0 HG22 VAL A 23 0.108 -1.215 8.394 1.00 40.01 H new ATOM 0 HG23 VAL A 23 0.632 -2.908 8.553 1.00 40.01 H new ATOM 337 N THR A 24 -1.410 -5.213 7.263 1.00 23.02 N ATOM 338 CA THR A 24 -1.219 -6.511 7.813 1.00 14.21 C ATOM 339 C THR A 24 -0.495 -7.276 6.733 1.00 64.33 C ATOM 340 O THR A 24 -0.434 -6.823 5.590 1.00 32.31 O ATOM 341 CB THR A 24 -2.548 -7.207 8.221 1.00 71.24 C ATOM 342 OG1 THR A 24 -2.344 -8.500 8.809 1.00 65.12 O ATOM 343 CG2 THR A 24 -3.507 -7.298 7.006 1.00 24.14 C ATOM 0 H THR A 24 -1.311 -5.168 6.249 1.00 23.02 H new ATOM 0 HA THR A 24 -0.655 -6.464 8.744 1.00 14.21 H new ATOM 0 HB THR A 24 -3.006 -6.587 8.991 1.00 71.24 H new ATOM 0 HG1 THR A 24 -3.210 -8.891 9.048 1.00 65.12 H new ATOM 0 HG21 THR A 24 -4.432 -7.788 7.309 1.00 24.14 H new ATOM 0 HG22 THR A 24 -3.730 -6.295 6.642 1.00 24.14 H new ATOM 0 HG23 THR A 24 -3.034 -7.875 6.212 1.00 24.14 H new ATOM 351 N GLY A 25 0.088 -8.426 7.092 1.00 64.01 N ATOM 352 CA GLY A 25 0.826 -9.232 6.145 1.00 73.12 C ATOM 353 C GLY A 25 2.259 -8.866 6.285 1.00 45.21 C ATOM 354 O GLY A 25 2.658 -8.293 7.300 1.00 53.35 O ATOM 0 H GLY A 25 0.056 -8.810 8.037 1.00 64.01 H new ATOM 0 HA2 GLY A 25 0.678 -10.293 6.345 1.00 73.12 H new ATOM 0 HA3 GLY A 25 0.479 -9.047 5.129 1.00 73.12 H new ATOM 358 N GLY A 26 3.080 -9.180 5.261 1.00 70.11 N ATOM 359 CA GLY A 26 4.461 -8.771 5.271 1.00 31.40 C ATOM 360 C GLY A 26 5.312 -9.937 4.903 1.00 2.21 C ATOM 361 O GLY A 26 5.408 -10.301 3.745 1.00 13.44 O ATOM 0 H GLY A 26 2.796 -9.709 4.436 1.00 70.11 H new ATOM 0 HA2 GLY A 26 4.617 -7.953 4.567 1.00 31.40 H new ATOM 0 HA3 GLY A 26 4.737 -8.399 6.258 1.00 31.40 H new ATOM 365 N VAL A 27 5.984 -10.519 5.927 1.00 1.34 N ATOM 366 CA VAL A 27 7.112 -11.451 5.745 1.00 51.13 C ATOM 367 C VAL A 27 6.691 -12.814 5.161 1.00 32.43 C ATOM 368 O VAL A 27 7.450 -13.770 5.244 1.00 74.32 O ATOM 369 CB VAL A 27 7.962 -11.676 6.999 1.00 72.42 C ATOM 370 CG1 VAL A 27 9.446 -11.673 6.564 1.00 73.11 C ATOM 371 CG2 VAL A 27 7.635 -10.598 8.050 1.00 24.10 C ATOM 0 H VAL A 27 5.753 -10.350 6.906 1.00 1.34 H new ATOM 0 HA VAL A 27 7.737 -10.935 5.016 1.00 51.13 H new ATOM 0 HB VAL A 27 7.745 -12.634 7.471 1.00 72.42 H new ATOM 0 HG11 VAL A 27 10.081 -11.831 7.436 1.00 73.11 H new ATOM 0 HG12 VAL A 27 9.615 -12.472 5.842 1.00 73.11 H new ATOM 0 HG13 VAL A 27 9.689 -10.714 6.107 1.00 73.11 H new ATOM 0 HG21 VAL A 27 8.242 -10.762 8.940 1.00 24.10 H new ATOM 0 HG22 VAL A 27 7.852 -9.612 7.639 1.00 24.10 H new ATOM 0 HG23 VAL A 27 6.579 -10.656 8.315 1.00 24.10 H new ATOM 381 N ASN A 28 5.478 -12.898 4.570 1.00 33.30 N ATOM 382 CA ASN A 28 4.893 -14.143 4.007 1.00 62.50 C ATOM 383 C ASN A 28 4.185 -14.875 5.091 1.00 73.42 C ATOM 384 O ASN A 28 3.752 -16.020 4.900 1.00 1.14 O ATOM 385 CB ASN A 28 5.837 -15.129 3.244 1.00 43.23 C ATOM 386 CG ASN A 28 6.298 -14.480 1.947 1.00 0.04 C ATOM 387 OD1 ASN A 28 5.586 -14.509 0.943 1.00 23.12 O ATOM 388 ND2 ASN A 28 7.500 -13.885 1.953 1.00 12.13 N ATOM 0 H ASN A 28 4.864 -12.090 4.467 1.00 33.30 H new ATOM 0 HA ASN A 28 4.231 -13.781 3.220 1.00 62.50 H new ATOM 0 HB2 ASN A 28 6.697 -15.381 3.864 1.00 43.23 H new ATOM 0 HB3 ASN A 28 5.314 -16.061 3.032 1.00 43.23 H new ATOM 0 HD21 ASN A 28 7.851 -13.437 1.107 1.00 12.13 H new ATOM 0 HD22 ASN A 28 8.063 -13.881 2.804 1.00 12.13 H new ATOM 395 N THR A 29 3.976 -14.179 6.230 1.00 65.43 N ATOM 396 CA THR A 29 2.899 -14.471 7.200 1.00 11.15 C ATOM 397 C THR A 29 1.529 -14.696 6.464 1.00 53.11 C ATOM 398 O THR A 29 1.486 -14.840 5.270 1.00 3.11 O ATOM 399 CB THR A 29 2.761 -13.384 8.268 1.00 74.43 C ATOM 400 OG1 THR A 29 2.576 -12.088 7.662 1.00 52.23 O ATOM 401 CG2 THR A 29 4.064 -13.371 9.101 1.00 51.52 C ATOM 0 H THR A 29 4.559 -13.388 6.505 1.00 65.43 H new ATOM 0 HA THR A 29 3.180 -15.391 7.713 1.00 11.15 H new ATOM 0 HB THR A 29 1.893 -13.596 8.893 1.00 74.43 H new ATOM 0 HG1 THR A 29 2.488 -11.409 8.363 1.00 52.23 H new ATOM 0 HG21 THR A 29 3.995 -12.604 9.872 1.00 51.52 H new ATOM 0 HG22 THR A 29 4.206 -14.345 9.569 1.00 51.52 H new ATOM 0 HG23 THR A 29 4.910 -13.155 8.449 1.00 51.52 H new ATOM 409 N SER A 30 0.409 -14.779 7.235 1.00 33.31 N ATOM 410 CA SER A 30 -0.948 -15.178 6.754 1.00 61.20 C ATOM 411 C SER A 30 -1.258 -14.838 5.270 1.00 51.34 C ATOM 412 O SER A 30 -1.824 -15.672 4.549 1.00 15.20 O ATOM 413 CB SER A 30 -2.056 -14.557 7.626 1.00 71.44 C ATOM 414 OG SER A 30 -1.790 -14.821 9.009 1.00 22.42 O ATOM 0 H SER A 30 0.423 -14.566 8.232 1.00 33.31 H new ATOM 0 HA SER A 30 -0.935 -16.265 6.836 1.00 61.20 H new ATOM 0 HB2 SER A 30 -2.107 -13.482 7.455 1.00 71.44 H new ATOM 0 HB3 SER A 30 -3.025 -14.970 7.347 1.00 71.44 H new ATOM 0 HG SER A 30 -2.496 -14.423 9.560 1.00 22.42 H new ATOM 420 N VAL A 31 -0.909 -13.623 4.794 1.00 1.44 N ATOM 421 CA VAL A 31 -1.306 -13.215 3.458 1.00 1.41 C ATOM 422 C VAL A 31 -0.410 -13.929 2.446 1.00 53.15 C ATOM 423 O VAL A 31 0.782 -14.120 2.676 1.00 31.42 O ATOM 424 CB VAL A 31 -1.228 -11.723 3.244 1.00 32.12 C ATOM 425 CG1 VAL A 31 -2.231 -11.049 4.206 1.00 51.44 C ATOM 426 CG2 VAL A 31 0.227 -11.235 3.440 1.00 4.40 C ATOM 0 H VAL A 31 -0.366 -12.932 5.312 1.00 1.44 H new ATOM 0 HA VAL A 31 -2.352 -13.491 3.325 1.00 1.41 H new ATOM 0 HB VAL A 31 -1.502 -11.452 2.224 1.00 32.12 H new ATOM 0 HG11 VAL A 31 -2.194 -9.968 4.071 1.00 51.44 H new ATOM 0 HG12 VAL A 31 -3.238 -11.407 3.992 1.00 51.44 H new ATOM 0 HG13 VAL A 31 -1.970 -11.295 5.235 1.00 51.44 H new ATOM 0 HG21 VAL A 31 0.273 -10.157 3.284 1.00 4.40 H new ATOM 0 HG22 VAL A 31 0.556 -11.469 4.452 1.00 4.40 H new ATOM 0 HG23 VAL A 31 0.878 -11.734 2.722 1.00 4.40 H new ATOM 436 N ARG A 32 -0.985 -14.387 1.313 1.00 51.31 N ATOM 437 CA ARG A 32 -0.239 -15.225 0.388 1.00 61.04 C ATOM 438 C ARG A 32 0.862 -14.446 -0.284 1.00 12.33 C ATOM 439 O ARG A 32 1.991 -14.932 -0.398 1.00 32.13 O ATOM 440 CB ARG A 32 -1.114 -15.834 -0.728 1.00 22.21 C ATOM 441 CG ARG A 32 -0.318 -16.777 -1.632 1.00 74.04 C ATOM 442 CD ARG A 32 -1.141 -17.447 -2.714 1.00 53.22 C ATOM 443 NE ARG A 32 -0.232 -18.410 -3.415 1.00 11.43 N ATOM 444 CZ ARG A 32 -0.735 -19.485 -4.103 1.00 63.12 C ATOM 445 NH1 ARG A 32 -2.079 -19.613 -4.275 1.00 2.13 N ATOM 446 NH2 ARG A 32 0.107 -20.424 -4.601 1.00 35.31 N ATOM 0 H ARG A 32 -1.945 -14.188 1.032 1.00 51.31 H new ATOM 0 HA ARG A 32 0.164 -16.030 1.002 1.00 61.04 H new ATOM 0 HB2 ARG A 32 -1.946 -16.378 -0.280 1.00 22.21 H new ATOM 0 HB3 ARG A 32 -1.544 -15.033 -1.329 1.00 22.21 H new ATOM 0 HG2 ARG A 32 0.490 -16.215 -2.102 1.00 74.04 H new ATOM 0 HG3 ARG A 32 0.146 -17.547 -1.015 1.00 74.04 H new ATOM 0 HD2 ARG A 32 -1.997 -17.967 -2.283 1.00 53.22 H new ATOM 0 HD3 ARG A 32 -1.535 -16.709 -3.413 1.00 53.22 H new ATOM 0 HE ARG A 32 0.777 -18.264 -3.380 1.00 11.43 H new ATOM 0 HH11 ARG A 32 -2.711 -18.910 -3.893 1.00 2.13 H new ATOM 0 HH12 ARG A 32 -2.454 -20.412 -4.786 1.00 2.13 H new ATOM 0 HH21 ARG A 32 1.113 -20.331 -4.464 1.00 35.31 H new ATOM 0 HH22 ARG A 32 -0.266 -21.224 -5.113 1.00 35.31 H new ATOM 460 N HIS A 33 0.542 -13.237 -0.801 1.00 55.11 N ATOM 461 CA HIS A 33 1.452 -12.543 -1.731 1.00 42.32 C ATOM 462 C HIS A 33 2.660 -11.992 -0.976 1.00 22.42 C ATOM 463 O HIS A 33 3.544 -11.395 -1.576 1.00 54.32 O ATOM 464 CB HIS A 33 0.762 -11.366 -2.492 1.00 4.52 C ATOM 465 CG HIS A 33 1.382 -11.044 -3.845 1.00 2.41 C ATOM 466 ND1 HIS A 33 2.705 -10.773 -4.015 1.00 51.30 N ATOM 467 CD2 HIS A 33 0.808 -10.972 -5.059 1.00 72.14 C ATOM 468 CE1 HIS A 33 2.929 -10.541 -5.305 1.00 73.45 C ATOM 469 NE2 HIS A 33 1.786 -10.654 -5.956 1.00 13.33 N ATOM 0 H HIS A 33 -0.321 -12.734 -0.594 1.00 55.11 H new ATOM 0 HA HIS A 33 1.761 -13.285 -2.467 1.00 42.32 H new ATOM 0 HB2 HIS A 33 -0.290 -11.610 -2.637 1.00 4.52 H new ATOM 0 HB3 HIS A 33 0.799 -10.474 -1.867 1.00 4.52 H new ATOM 0 HD1 HIS A 33 3.408 -10.751 -3.276 1.00 51.30 H new ATOM 0 HD2 HIS A 33 -0.236 -11.136 -5.283 1.00 72.14 H new ATOM 0 HE1 HIS A 33 3.885 -10.301 -5.746 1.00 73.45 H new ATOM 478 N GLY A 34 2.726 -12.220 0.365 1.00 72.04 N ATOM 479 CA GLY A 34 3.854 -11.762 1.188 1.00 53.24 C ATOM 480 C GLY A 34 4.067 -10.307 0.972 1.00 72.04 C ATOM 481 O GLY A 34 5.107 -9.885 0.494 1.00 20.21 O ATOM 0 H GLY A 34 2.006 -12.719 0.888 1.00 72.04 H new ATOM 0 HA2 GLY A 34 3.653 -11.958 2.241 1.00 53.24 H new ATOM 0 HA3 GLY A 34 4.756 -12.315 0.927 1.00 53.24 H new ATOM 485 N GLY A 35 3.068 -9.520 1.295 1.00 12.42 N ATOM 486 CA GLY A 35 3.131 -8.126 1.052 1.00 4.12 C ATOM 487 C GLY A 35 2.282 -7.557 2.086 1.00 2.34 C ATOM 488 O GLY A 35 1.699 -8.297 2.880 1.00 42.23 O ATOM 0 H GLY A 35 2.202 -9.839 1.729 1.00 12.42 H new ATOM 0 HA2 GLY A 35 4.153 -7.753 1.123 1.00 4.12 H new ATOM 0 HA3 GLY A 35 2.769 -7.877 0.055 1.00 4.12 H new ATOM 492 N ILE A 36 2.168 -6.234 2.101 1.00 33.31 N ATOM 493 CA ILE A 36 1.353 -5.593 3.019 1.00 30.31 C ATOM 494 C ILE A 36 0.054 -5.496 2.343 1.00 75.20 C ATOM 495 O ILE A 36 -0.033 -5.132 1.165 1.00 4.11 O ATOM 496 CB ILE A 36 1.901 -4.230 3.410 1.00 73.21 C ATOM 497 CG1 ILE A 36 2.474 -4.304 4.819 1.00 41.51 C ATOM 498 CG2 ILE A 36 0.854 -3.099 3.250 1.00 75.14 C ATOM 499 CD1 ILE A 36 3.340 -5.522 5.110 1.00 50.42 C ATOM 0 H ILE A 36 2.656 -5.610 1.458 1.00 33.31 H new ATOM 0 HA ILE A 36 1.284 -6.137 3.961 1.00 30.31 H new ATOM 0 HB ILE A 36 2.705 -3.968 2.722 1.00 73.21 H new ATOM 0 HG12 ILE A 36 3.066 -3.407 4.999 1.00 41.51 H new ATOM 0 HG13 ILE A 36 1.648 -4.289 5.530 1.00 41.51 H new ATOM 0 HG21 ILE A 36 1.298 -2.148 3.543 1.00 75.14 H new ATOM 0 HG22 ILE A 36 0.533 -3.045 2.210 1.00 75.14 H new ATOM 0 HG23 ILE A 36 -0.007 -3.308 3.885 1.00 75.14 H new ATOM 0 HD11 ILE A 36 3.697 -5.477 6.139 1.00 50.42 H new ATOM 0 HD12 ILE A 36 2.752 -6.429 4.969 1.00 50.42 H new ATOM 0 HD13 ILE A 36 4.192 -5.533 4.430 1.00 50.42 H new ATOM 511 N TYR A 37 -0.973 -5.887 3.047 1.00 2.33 N ATOM 512 CA TYR A 37 -2.314 -5.801 2.528 1.00 22.54 C ATOM 513 C TYR A 37 -2.908 -4.696 3.325 1.00 35.33 C ATOM 514 O TYR A 37 -2.484 -4.449 4.467 1.00 64.31 O ATOM 515 CB TYR A 37 -3.210 -7.073 2.775 1.00 0.32 C ATOM 516 CG TYR A 37 -2.872 -8.237 1.822 1.00 74.12 C ATOM 517 CD1 TYR A 37 -1.567 -8.440 1.269 1.00 75.21 C ATOM 518 CD2 TYR A 37 -3.886 -9.182 1.503 1.00 41.33 C ATOM 519 CE1 TYR A 37 -1.305 -9.549 0.438 1.00 73.44 C ATOM 520 CE2 TYR A 37 -3.613 -10.289 0.675 1.00 20.13 C ATOM 521 CZ TYR A 37 -2.324 -10.477 0.146 1.00 33.01 C ATOM 522 OH TYR A 37 -2.039 -11.611 -0.655 1.00 73.15 O ATOM 0 H TYR A 37 -0.907 -6.272 3.989 1.00 2.33 H new ATOM 0 HA TYR A 37 -2.276 -5.674 1.446 1.00 22.54 H new ATOM 0 HB2 TYR A 37 -3.085 -7.405 3.806 1.00 0.32 H new ATOM 0 HB3 TYR A 37 -4.259 -6.802 2.653 1.00 0.32 H new ATOM 0 HD1 TYR A 37 -0.777 -7.738 1.490 1.00 75.21 H new ATOM 0 HD2 TYR A 37 -4.881 -9.049 1.902 1.00 41.33 H new ATOM 0 HE1 TYR A 37 -0.318 -9.688 0.023 1.00 73.44 H new ATOM 0 HE2 TYR A 37 -4.397 -10.996 0.446 1.00 20.13 H new ATOM 0 HH TYR A 37 -2.851 -12.150 -0.759 1.00 73.15 H new ATOM 532 N VAL A 38 -3.882 -3.980 2.757 1.00 22.13 N ATOM 533 CA VAL A 38 -4.470 -2.877 3.446 1.00 3.43 C ATOM 534 C VAL A 38 -5.519 -3.443 4.379 1.00 4.41 C ATOM 535 O VAL A 38 -6.611 -3.842 3.970 1.00 50.01 O ATOM 536 CB VAL A 38 -5.100 -1.869 2.505 1.00 71.02 C ATOM 537 CG1 VAL A 38 -5.669 -0.701 3.331 1.00 63.15 C ATOM 538 CG2 VAL A 38 -4.009 -1.417 1.500 1.00 30.43 C ATOM 0 H VAL A 38 -4.263 -4.159 1.828 1.00 22.13 H new ATOM 0 HA VAL A 38 -3.693 -2.339 3.989 1.00 3.43 H new ATOM 0 HB VAL A 38 -5.930 -2.296 1.941 1.00 71.02 H new ATOM 0 HG11 VAL A 38 -6.124 0.030 2.662 1.00 63.15 H new ATOM 0 HG12 VAL A 38 -6.422 -1.078 4.024 1.00 63.15 H new ATOM 0 HG13 VAL A 38 -4.864 -0.227 3.893 1.00 63.15 H new ATOM 0 HG21 VAL A 38 -4.432 -0.689 0.807 1.00 30.43 H new ATOM 0 HG22 VAL A 38 -3.180 -0.962 2.043 1.00 30.43 H new ATOM 0 HG23 VAL A 38 -3.647 -2.281 0.943 1.00 30.43 H new ATOM 548 N LYS A 39 -5.141 -3.499 5.657 1.00 14.13 N ATOM 549 CA LYS A 39 -5.961 -4.064 6.711 1.00 41.33 C ATOM 550 C LYS A 39 -7.127 -3.153 7.006 1.00 34.42 C ATOM 551 O LYS A 39 -8.225 -3.628 7.292 1.00 43.45 O ATOM 552 CB LYS A 39 -5.144 -4.203 8.019 1.00 42.23 C ATOM 553 CG LYS A 39 -5.827 -4.997 9.126 1.00 74.32 C ATOM 554 CD LYS A 39 -5.074 -4.907 10.465 1.00 74.42 C ATOM 555 CE LYS A 39 -5.835 -5.513 11.651 1.00 54.32 C ATOM 556 NZ LYS A 39 -7.114 -4.809 11.863 1.00 34.32 N ATOM 0 H LYS A 39 -4.242 -3.146 5.986 1.00 14.13 H new ATOM 0 HA LYS A 39 -6.307 -5.041 6.372 1.00 41.33 H new ATOM 0 HB2 LYS A 39 -4.192 -4.680 7.786 1.00 42.23 H new ATOM 0 HB3 LYS A 39 -4.917 -3.205 8.395 1.00 42.23 H new ATOM 0 HG2 LYS A 39 -6.844 -4.628 9.259 1.00 74.32 H new ATOM 0 HG3 LYS A 39 -5.904 -6.042 8.825 1.00 74.32 H new ATOM 0 HD2 LYS A 39 -4.114 -5.414 10.365 1.00 74.42 H new ATOM 0 HD3 LYS A 39 -4.860 -3.860 10.680 1.00 74.42 H new ATOM 0 HE2 LYS A 39 -6.022 -6.571 11.467 1.00 54.32 H new ATOM 0 HE3 LYS A 39 -5.225 -5.449 12.552 1.00 54.32 H new ATOM 0 HZ1 LYS A 39 -7.484 -5.038 12.808 1.00 34.32 H new ATOM 0 HZ2 LYS A 39 -6.962 -3.783 11.790 1.00 34.32 H new ATOM 0 HZ3 LYS A 39 -7.800 -5.110 11.141 1.00 34.32 H new ATOM 570 N ALA A 40 -6.920 -1.841 6.944 1.00 70.03 N ATOM 571 CA ALA A 40 -7.980 -0.922 7.279 1.00 51.32 C ATOM 572 C ALA A 40 -7.561 0.373 6.735 1.00 1.45 C ATOM 573 O ALA A 40 -6.367 0.618 6.573 1.00 51.24 O ATOM 574 CB ALA A 40 -8.253 -0.744 8.793 1.00 62.05 C ATOM 0 H ALA A 40 -6.040 -1.405 6.669 1.00 70.03 H new ATOM 0 HA ALA A 40 -8.908 -1.319 6.868 1.00 51.32 H new ATOM 0 HB1 ALA A 40 -9.067 -0.033 8.935 1.00 62.05 H new ATOM 0 HB2 ALA A 40 -8.530 -1.704 9.228 1.00 62.05 H new ATOM 0 HB3 ALA A 40 -7.355 -0.369 9.283 1.00 62.05 H new ATOM 580 N VAL A 41 -8.531 1.229 6.404 1.00 1.03 N ATOM 581 CA VAL A 41 -8.240 2.525 5.889 1.00 11.00 C ATOM 582 C VAL A 41 -9.002 3.453 6.774 1.00 62.41 C ATOM 583 O VAL A 41 -10.160 3.193 7.085 1.00 2.32 O ATOM 584 CB VAL A 41 -8.751 2.724 4.452 1.00 4.42 C ATOM 585 CG1 VAL A 41 -8.157 4.027 3.879 1.00 23.12 C ATOM 586 CG2 VAL A 41 -8.370 1.491 3.620 1.00 3.41 C ATOM 0 H VAL A 41 -9.526 1.024 6.493 1.00 1.03 H new ATOM 0 HA VAL A 41 -7.162 2.688 5.868 1.00 11.00 H new ATOM 0 HB VAL A 41 -9.836 2.822 4.428 1.00 4.42 H new ATOM 0 HG11 VAL A 41 -8.516 4.173 2.860 1.00 23.12 H new ATOM 0 HG12 VAL A 41 -8.466 4.870 4.497 1.00 23.12 H new ATOM 0 HG13 VAL A 41 -7.069 3.960 3.874 1.00 23.12 H new ATOM 0 HG21 VAL A 41 -8.726 1.618 2.598 1.00 3.41 H new ATOM 0 HG22 VAL A 41 -7.286 1.376 3.615 1.00 3.41 H new ATOM 0 HG23 VAL A 41 -8.827 0.603 4.056 1.00 3.41 H new ATOM 596 N ILE A 42 -8.385 4.564 7.200 1.00 33.10 N ATOM 597 CA ILE A 42 -9.107 5.555 7.970 1.00 71.21 C ATOM 598 C ILE A 42 -9.995 6.301 6.980 1.00 61.41 C ATOM 599 O ILE A 42 -9.637 6.460 5.804 1.00 44.40 O ATOM 600 CB ILE A 42 -8.213 6.537 8.764 1.00 44.23 C ATOM 601 CG1 ILE A 42 -7.498 7.594 7.869 1.00 41.42 C ATOM 602 CG2 ILE A 42 -7.234 5.700 9.622 1.00 21.33 C ATOM 603 CD1 ILE A 42 -6.587 6.995 6.815 1.00 74.22 C ATOM 0 H ILE A 42 -7.405 4.786 7.023 1.00 33.10 H new ATOM 0 HA ILE A 42 -9.680 5.045 8.745 1.00 71.21 H new ATOM 0 HB ILE A 42 -8.841 7.145 9.416 1.00 44.23 H new ATOM 0 HG12 ILE A 42 -8.252 8.208 7.376 1.00 41.42 H new ATOM 0 HG13 ILE A 42 -6.913 8.258 8.505 1.00 41.42 H new ATOM 0 HG21 ILE A 42 -6.590 6.367 10.194 1.00 21.33 H new ATOM 0 HG22 ILE A 42 -7.799 5.067 10.306 1.00 21.33 H new ATOM 0 HG23 ILE A 42 -6.623 5.075 8.971 1.00 21.33 H new ATOM 0 HD11 ILE A 42 -6.127 7.795 6.234 1.00 74.22 H new ATOM 0 HD12 ILE A 42 -5.809 6.405 7.299 1.00 74.22 H new ATOM 0 HD13 ILE A 42 -7.169 6.354 6.153 1.00 74.22 H new ATOM 615 N PRO A 43 -11.193 6.713 7.412 1.00 64.13 N ATOM 616 CA PRO A 43 -12.132 7.356 6.524 1.00 11.23 C ATOM 617 C PRO A 43 -11.634 8.718 6.337 1.00 73.11 C ATOM 618 O PRO A 43 -10.766 9.151 7.118 1.00 4.23 O ATOM 619 CB PRO A 43 -13.407 7.449 7.341 1.00 22.31 C ATOM 620 CG PRO A 43 -12.867 7.669 8.746 1.00 4.52 C ATOM 621 CD PRO A 43 -11.683 6.670 8.796 1.00 31.14 C ATOM 0 HA PRO A 43 -12.272 6.847 5.570 1.00 11.23 H new ATOM 0 HB2 PRO A 43 -14.042 8.273 7.014 1.00 22.31 H new ATOM 0 HB3 PRO A 43 -14.004 6.540 7.271 1.00 22.31 H new ATOM 0 HG2 PRO A 43 -12.540 8.697 8.901 1.00 4.52 H new ATOM 0 HG3 PRO A 43 -13.615 7.454 9.509 1.00 4.52 H new ATOM 0 HD2 PRO A 43 -10.919 6.978 9.510 1.00 31.14 H new ATOM 0 HD3 PRO A 43 -12.005 5.669 9.085 1.00 31.14 H new ATOM 629 N GLN A 44 -12.189 9.447 5.376 1.00 15.12 N ATOM 630 CA GLN A 44 -11.981 10.871 5.292 1.00 34.54 C ATOM 631 C GLN A 44 -10.503 11.217 5.041 1.00 3.33 C ATOM 632 O GLN A 44 -10.142 12.379 4.933 1.00 24.34 O ATOM 633 CB GLN A 44 -12.544 11.602 6.548 1.00 24.20 C ATOM 634 CG GLN A 44 -14.082 11.626 6.569 1.00 14.43 C ATOM 635 CD GLN A 44 -14.523 12.309 7.854 1.00 71.34 C ATOM 636 OE1 GLN A 44 -14.305 13.508 8.037 1.00 44.22 O ATOM 637 NE2 GLN A 44 -15.139 11.549 8.767 1.00 22.54 N ATOM 0 H GLN A 44 -12.788 9.064 4.645 1.00 15.12 H new ATOM 0 HA GLN A 44 -12.541 11.233 4.430 1.00 34.54 H new ATOM 0 HB2 GLN A 44 -12.178 11.107 7.448 1.00 24.20 H new ATOM 0 HB3 GLN A 44 -12.167 12.624 6.570 1.00 24.20 H new ATOM 0 HG2 GLN A 44 -14.467 12.162 5.701 1.00 14.43 H new ATOM 0 HG3 GLN A 44 -14.480 10.612 6.520 1.00 14.43 H new ATOM 0 HE21 GLN A 44 -15.302 10.560 8.581 1.00 22.54 H new ATOM 0 HE22 GLN A 44 -15.445 11.959 9.649 1.00 22.54 H new ATOM 646 N GLY A 45 -9.644 10.199 4.906 1.00 33.11 N ATOM 647 CA GLY A 45 -8.247 10.407 4.641 1.00 54.04 C ATOM 648 C GLY A 45 -8.084 10.371 3.171 1.00 53.11 C ATOM 649 O GLY A 45 -9.059 10.211 2.437 1.00 65.34 O ATOM 0 H GLY A 45 -9.913 9.218 4.980 1.00 33.11 H new ATOM 0 HA2 GLY A 45 -7.915 11.364 5.044 1.00 54.04 H new ATOM 0 HA3 GLY A 45 -7.643 9.634 5.117 1.00 54.04 H new ATOM 653 N ALA A 46 -6.830 10.510 2.701 1.00 51.12 N ATOM 654 CA ALA A 46 -6.553 10.598 1.275 1.00 4.44 C ATOM 655 C ALA A 46 -6.869 9.270 0.655 1.00 63.44 C ATOM 656 O ALA A 46 -7.624 9.190 -0.283 1.00 31.42 O ATOM 657 CB ALA A 46 -5.078 10.915 0.956 1.00 53.01 C ATOM 0 H ALA A 46 -6.002 10.563 3.295 1.00 51.12 H new ATOM 0 HA ALA A 46 -7.163 11.411 0.880 1.00 4.44 H new ATOM 0 HB1 ALA A 46 -4.942 10.966 -0.124 1.00 53.01 H new ATOM 0 HB2 ALA A 46 -4.807 11.872 1.401 1.00 53.01 H new ATOM 0 HB3 ALA A 46 -4.441 10.131 1.365 1.00 53.01 H new ATOM 663 N ALA A 47 -6.281 8.196 1.222 1.00 65.44 N ATOM 664 CA ALA A 47 -6.417 6.847 0.668 1.00 3.02 C ATOM 665 C ALA A 47 -7.883 6.483 0.480 1.00 12.13 C ATOM 666 O ALA A 47 -8.278 6.068 -0.612 1.00 23.41 O ATOM 667 CB ALA A 47 -5.752 5.780 1.559 1.00 65.32 C ATOM 0 H ALA A 47 -5.708 8.245 2.064 1.00 65.44 H new ATOM 0 HA ALA A 47 -5.909 6.859 -0.296 1.00 3.02 H new ATOM 0 HB1 ALA A 47 -5.880 4.797 1.106 1.00 65.32 H new ATOM 0 HB2 ALA A 47 -4.689 5.999 1.657 1.00 65.32 H new ATOM 0 HB3 ALA A 47 -6.217 5.788 2.545 1.00 65.32 H new ATOM 673 N GLU A 48 -8.721 6.672 1.525 1.00 11.50 N ATOM 674 CA GLU A 48 -10.154 6.388 1.418 1.00 74.53 C ATOM 675 C GLU A 48 -10.778 7.298 0.363 1.00 53.44 C ATOM 676 O GLU A 48 -11.413 6.828 -0.575 1.00 3.33 O ATOM 677 CB GLU A 48 -10.905 6.642 2.766 1.00 13.14 C ATOM 678 CG GLU A 48 -12.435 6.438 2.705 1.00 34.20 C ATOM 679 CD GLU A 48 -12.726 4.978 2.481 1.00 34.33 C ATOM 680 OE1 GLU A 48 -12.507 4.173 3.415 1.00 10.53 O ATOM 681 OE2 GLU A 48 -13.196 4.628 1.381 1.00 63.13 O ATOM 0 H GLU A 48 -8.425 7.016 2.438 1.00 11.50 H new ATOM 0 HA GLU A 48 -10.253 5.336 1.149 1.00 74.53 H new ATOM 0 HB2 GLU A 48 -10.494 5.977 3.525 1.00 13.14 H new ATOM 0 HB3 GLU A 48 -10.702 7.662 3.092 1.00 13.14 H new ATOM 0 HG2 GLU A 48 -12.897 6.776 3.632 1.00 34.20 H new ATOM 0 HG3 GLU A 48 -12.863 7.035 1.900 1.00 34.20 H new ATOM 688 N SER A 49 -10.617 8.624 0.530 1.00 1.34 N ATOM 689 CA SER A 49 -11.341 9.605 -0.287 1.00 54.24 C ATOM 690 C SER A 49 -10.965 9.483 -1.757 1.00 55.43 C ATOM 691 O SER A 49 -11.784 9.760 -2.644 1.00 44.52 O ATOM 692 CB SER A 49 -11.062 11.054 0.156 1.00 2.41 C ATOM 693 OG SER A 49 -11.363 11.201 1.553 1.00 61.12 O ATOM 0 H SER A 49 -9.992 9.036 1.223 1.00 1.34 H new ATOM 0 HA SER A 49 -12.399 9.385 -0.147 1.00 54.24 H new ATOM 0 HB2 SER A 49 -10.018 11.306 -0.029 1.00 2.41 H new ATOM 0 HB3 SER A 49 -11.666 11.746 -0.431 1.00 2.41 H new ATOM 0 HG SER A 49 -10.556 11.030 2.081 1.00 61.12 H new ATOM 699 N ASP A 50 -9.719 9.062 -2.045 1.00 4.44 N ATOM 700 CA ASP A 50 -9.248 9.012 -3.423 1.00 53.12 C ATOM 701 C ASP A 50 -9.862 7.787 -4.048 1.00 54.34 C ATOM 702 O ASP A 50 -10.271 7.792 -5.203 1.00 55.44 O ATOM 703 CB ASP A 50 -7.708 8.915 -3.558 1.00 2.21 C ATOM 704 CG ASP A 50 -7.284 9.504 -4.908 1.00 1.41 C ATOM 705 OD1 ASP A 50 -7.851 9.117 -5.967 1.00 23.23 O ATOM 706 OD2 ASP A 50 -6.401 10.379 -4.912 1.00 62.32 O ATOM 0 H ASP A 50 -9.038 8.759 -1.349 1.00 4.44 H new ATOM 0 HA ASP A 50 -9.539 9.941 -3.913 1.00 53.12 H new ATOM 0 HB2 ASP A 50 -7.225 9.455 -2.744 1.00 2.21 H new ATOM 0 HB3 ASP A 50 -7.389 7.875 -3.485 1.00 2.21 H new ATOM 711 N GLY A 51 -10.000 6.710 -3.245 1.00 4.34 N ATOM 712 CA GLY A 51 -10.656 5.496 -3.711 1.00 74.05 C ATOM 713 C GLY A 51 -9.656 4.641 -4.421 1.00 43.40 C ATOM 714 O GLY A 51 -10.020 3.668 -5.094 1.00 14.25 O ATOM 0 H GLY A 51 -9.665 6.668 -2.282 1.00 4.34 H new ATOM 0 HA2 GLY A 51 -11.084 4.953 -2.868 1.00 74.05 H new ATOM 0 HA3 GLY A 51 -11.479 5.747 -4.380 1.00 74.05 H new ATOM 718 N ARG A 52 -8.351 4.972 -4.284 1.00 63.23 N ATOM 719 CA ARG A 52 -7.302 4.213 -4.940 1.00 3.24 C ATOM 720 C ARG A 52 -6.881 3.130 -3.997 1.00 51.24 C ATOM 721 O ARG A 52 -6.025 2.312 -4.318 1.00 43.12 O ATOM 722 CB ARG A 52 -6.045 5.071 -5.195 1.00 21.33 C ATOM 723 CG ARG A 52 -6.300 6.359 -5.964 1.00 73.10 C ATOM 724 CD ARG A 52 -6.546 6.170 -7.456 1.00 2.12 C ATOM 725 NE ARG A 52 -6.927 7.506 -8.011 1.00 44.25 N ATOM 726 CZ ARG A 52 -6.750 7.823 -9.345 1.00 55.41 C ATOM 727 NH1 ARG A 52 -6.306 6.881 -10.241 1.00 42.34 N ATOM 728 NH2 ARG A 52 -7.019 9.080 -9.768 1.00 32.30 N ATOM 0 H ARG A 52 -8.017 5.757 -3.725 1.00 63.23 H new ATOM 0 HA ARG A 52 -7.689 3.845 -5.890 1.00 3.24 H new ATOM 0 HB2 ARG A 52 -5.591 5.320 -4.236 1.00 21.33 H new ATOM 0 HB3 ARG A 52 -5.319 4.473 -5.745 1.00 21.33 H new ATOM 0 HG2 ARG A 52 -7.163 6.862 -5.528 1.00 73.10 H new ATOM 0 HG3 ARG A 52 -5.444 7.021 -5.831 1.00 73.10 H new ATOM 0 HD2 ARG A 52 -5.652 5.789 -7.949 1.00 2.12 H new ATOM 0 HD3 ARG A 52 -7.339 5.442 -7.627 1.00 2.12 H new ATOM 0 HE ARG A 52 -7.330 8.204 -7.386 1.00 44.25 H new ATOM 0 HH11 ARG A 52 -6.102 5.933 -9.925 1.00 42.34 H new ATOM 0 HH12 ARG A 52 -6.180 7.130 -11.222 1.00 42.34 H new ATOM 0 HH21 ARG A 52 -7.348 9.782 -9.105 1.00 32.30 H new ATOM 0 HH22 ARG A 52 -6.892 9.326 -10.750 1.00 32.30 H new ATOM 742 N ILE A 53 -7.481 3.104 -2.807 1.00 24.01 N ATOM 743 CA ILE A 53 -7.113 2.177 -1.808 1.00 1.35 C ATOM 744 C ILE A 53 -8.429 1.831 -1.172 1.00 41.22 C ATOM 745 O ILE A 53 -9.326 2.676 -1.061 1.00 2.32 O ATOM 746 CB ILE A 53 -6.126 2.731 -0.725 1.00 22.44 C ATOM 747 CG1 ILE A 53 -4.661 2.786 -1.250 1.00 24.13 C ATOM 748 CG2 ILE A 53 -6.189 1.858 0.554 1.00 72.22 C ATOM 749 CD1 ILE A 53 -4.250 4.073 -1.946 1.00 72.10 C ATOM 0 H ILE A 53 -8.233 3.737 -2.536 1.00 24.01 H new ATOM 0 HA ILE A 53 -6.569 1.340 -2.245 1.00 1.35 H new ATOM 0 HB ILE A 53 -6.438 3.749 -0.490 1.00 22.44 H new ATOM 0 HG12 ILE A 53 -3.988 2.621 -0.409 1.00 24.13 H new ATOM 0 HG13 ILE A 53 -4.513 1.958 -1.944 1.00 24.13 H new ATOM 0 HG21 ILE A 53 -5.498 2.254 1.299 1.00 72.22 H new ATOM 0 HG22 ILE A 53 -7.203 1.872 0.955 1.00 72.22 H new ATOM 0 HG23 ILE A 53 -5.910 0.833 0.309 1.00 72.22 H new ATOM 0 HD11 ILE A 53 -3.212 3.997 -2.268 1.00 72.10 H new ATOM 0 HD12 ILE A 53 -4.888 4.237 -2.814 1.00 72.10 H new ATOM 0 HD13 ILE A 53 -4.355 4.910 -1.255 1.00 72.10 H new ATOM 761 N HIS A 54 -8.546 0.579 -0.758 1.00 52.11 N ATOM 762 CA HIS A 54 -9.642 0.136 0.034 1.00 30.00 C ATOM 763 C HIS A 54 -9.118 -1.057 0.718 1.00 51.44 C ATOM 764 O HIS A 54 -7.994 -1.485 0.422 1.00 12.30 O ATOM 765 CB HIS A 54 -10.950 -0.219 -0.731 1.00 72.20 C ATOM 766 CG HIS A 54 -10.881 -1.432 -1.615 1.00 14.25 C ATOM 767 ND1 HIS A 54 -11.980 -1.910 -2.260 1.00 53.20 N ATOM 768 CD2 HIS A 54 -9.858 -2.242 -1.913 1.00 34.43 C ATOM 769 CE1 HIS A 54 -11.633 -2.992 -2.938 1.00 1.44 C ATOM 770 NE2 HIS A 54 -10.333 -3.209 -2.738 1.00 13.33 N ATOM 0 H HIS A 54 -7.867 -0.151 -0.974 1.00 52.11 H new ATOM 0 HA HIS A 54 -9.961 0.949 0.686 1.00 30.00 H new ATOM 0 HB2 HIS A 54 -11.746 -0.369 -0.002 1.00 72.20 H new ATOM 0 HB3 HIS A 54 -11.235 0.637 -1.342 1.00 72.20 H new ATOM 0 HD2 HIS A 54 -8.842 -2.144 -1.562 1.00 34.43 H new ATOM 0 HE1 HIS A 54 -12.289 -3.595 -3.548 1.00 1.44 H new ATOM 0 HE2 HIS A 54 -9.788 -3.973 -3.138 1.00 13.33 H new ATOM 779 N LYS A 55 -9.880 -1.627 1.656 1.00 52.14 N ATOM 780 CA LYS A 55 -9.402 -2.769 2.400 1.00 74.02 C ATOM 781 C LYS A 55 -9.255 -3.937 1.477 1.00 71.25 C ATOM 782 O LYS A 55 -10.027 -4.108 0.527 1.00 2.12 O ATOM 783 CB LYS A 55 -10.323 -3.200 3.552 1.00 53.45 C ATOM 784 CG LYS A 55 -10.365 -2.177 4.680 1.00 43.24 C ATOM 785 CD LYS A 55 -11.232 -2.607 5.867 1.00 25.31 C ATOM 786 CE LYS A 55 -12.734 -2.491 5.586 1.00 4.44 C ATOM 787 NZ LYS A 55 -13.518 -2.867 6.770 1.00 33.51 N ATOM 0 H LYS A 55 -10.817 -1.313 1.908 1.00 52.14 H new ATOM 0 HA LYS A 55 -8.452 -2.460 2.837 1.00 74.02 H new ATOM 0 HB2 LYS A 55 -11.331 -3.354 3.168 1.00 53.45 H new ATOM 0 HB3 LYS A 55 -9.982 -4.157 3.947 1.00 53.45 H new ATOM 0 HG2 LYS A 55 -9.349 -1.993 5.031 1.00 43.24 H new ATOM 0 HG3 LYS A 55 -10.743 -1.232 4.289 1.00 43.24 H new ATOM 0 HD2 LYS A 55 -10.996 -3.639 6.127 1.00 25.31 H new ATOM 0 HD3 LYS A 55 -10.982 -1.994 6.733 1.00 25.31 H new ATOM 0 HE2 LYS A 55 -12.976 -1.469 5.294 1.00 4.44 H new ATOM 0 HE3 LYS A 55 -13.002 -3.134 4.748 1.00 4.44 H new ATOM 0 HZ1 LYS A 55 -14.532 -2.781 6.556 1.00 33.51 H new ATOM 0 HZ2 LYS A 55 -13.302 -3.850 7.032 1.00 33.51 H new ATOM 0 HZ3 LYS A 55 -13.276 -2.237 7.561 1.00 33.51 H new ATOM 801 N GLY A 56 -8.247 -4.760 1.748 1.00 22.11 N ATOM 802 CA GLY A 56 -8.109 -6.034 1.097 1.00 11.14 C ATOM 803 C GLY A 56 -7.072 -5.922 0.046 1.00 4.14 C ATOM 804 O GLY A 56 -6.361 -6.884 -0.211 1.00 45.32 O ATOM 0 H GLY A 56 -7.512 -4.553 2.424 1.00 22.11 H new ATOM 0 HA2 GLY A 56 -7.831 -6.800 1.821 1.00 11.14 H new ATOM 0 HA3 GLY A 56 -9.059 -6.339 0.659 1.00 11.14 H new ATOM 808 N ASP A 57 -6.952 -4.728 -0.599 1.00 30.32 N ATOM 809 CA ASP A 57 -5.992 -4.550 -1.697 1.00 2.25 C ATOM 810 C ASP A 57 -4.600 -4.633 -1.146 1.00 63.42 C ATOM 811 O ASP A 57 -4.379 -4.487 0.056 1.00 3.40 O ATOM 812 CB ASP A 57 -6.146 -3.228 -2.513 1.00 74.23 C ATOM 813 CG ASP A 57 -7.374 -3.327 -3.430 1.00 75.01 C ATOM 814 OD1 ASP A 57 -8.020 -4.419 -3.507 1.00 43.42 O ATOM 815 OD2 ASP A 57 -7.730 -2.305 -4.063 1.00 3.54 O ATOM 0 H ASP A 57 -7.501 -3.898 -0.375 1.00 30.32 H new ATOM 0 HA ASP A 57 -6.203 -5.351 -2.405 1.00 2.25 H new ATOM 0 HB2 ASP A 57 -6.253 -2.381 -1.835 1.00 74.23 H new ATOM 0 HB3 ASP A 57 -5.250 -3.049 -3.107 1.00 74.23 H new ATOM 820 N ARG A 58 -3.652 -4.967 -2.028 1.00 64.55 N ATOM 821 CA ARG A 58 -2.334 -5.373 -1.619 1.00 72.24 C ATOM 822 C ARG A 58 -1.376 -4.369 -2.154 1.00 64.05 C ATOM 823 O ARG A 58 -1.555 -3.895 -3.254 1.00 40.03 O ATOM 824 CB ARG A 58 -1.957 -6.729 -2.259 1.00 34.13 C ATOM 825 CG ARG A 58 -3.061 -7.788 -2.105 1.00 42.04 C ATOM 826 CD ARG A 58 -2.850 -9.020 -2.988 1.00 40.12 C ATOM 827 NE ARG A 58 -4.001 -9.962 -2.765 1.00 32.31 N ATOM 828 CZ ARG A 58 -4.316 -10.945 -3.687 1.00 30.42 C ATOM 829 NH1 ARG A 58 -3.599 -11.079 -4.836 1.00 4.13 N ATOM 830 NH2 ARG A 58 -5.353 -11.787 -3.443 1.00 74.34 N ATOM 0 H ARG A 58 -3.791 -4.959 -3.038 1.00 64.55 H new ATOM 0 HA ARG A 58 -2.305 -5.455 -0.533 1.00 72.24 H new ATOM 0 HB2 ARG A 58 -1.748 -6.580 -3.318 1.00 34.13 H new ATOM 0 HB3 ARG A 58 -1.039 -7.099 -1.802 1.00 34.13 H new ATOM 0 HG2 ARG A 58 -3.110 -8.102 -1.062 1.00 42.04 H new ATOM 0 HG3 ARG A 58 -4.023 -7.337 -2.348 1.00 42.04 H new ATOM 0 HD2 ARG A 58 -2.794 -8.730 -4.037 1.00 40.12 H new ATOM 0 HD3 ARG A 58 -1.907 -9.507 -2.741 1.00 40.12 H new ATOM 0 HE ARG A 58 -4.561 -9.875 -1.917 1.00 32.31 H new ATOM 0 HH11 ARG A 58 -2.818 -10.451 -5.026 1.00 4.13 H new ATOM 0 HH12 ARG A 58 -3.842 -11.808 -5.507 1.00 4.13 H new ATOM 0 HH21 ARG A 58 -5.895 -11.693 -2.584 1.00 74.34 H new ATOM 0 HH22 ARG A 58 -5.590 -12.513 -4.119 1.00 74.34 H new ATOM 844 N VAL A 59 -0.322 -4.041 -1.388 1.00 63.44 N ATOM 845 CA VAL A 59 0.719 -3.185 -1.889 1.00 63.12 C ATOM 846 C VAL A 59 1.768 -4.105 -2.455 1.00 43.34 C ATOM 847 O VAL A 59 2.210 -5.046 -1.788 1.00 33.35 O ATOM 848 CB VAL A 59 1.346 -2.282 -0.832 1.00 60.44 C ATOM 849 CG1 VAL A 59 2.363 -1.343 -1.523 1.00 74.22 C ATOM 850 CG2 VAL A 59 0.204 -1.507 -0.129 1.00 2.41 C ATOM 0 H VAL A 59 -0.186 -4.362 -0.430 1.00 63.44 H new ATOM 0 HA VAL A 59 0.294 -2.504 -2.627 1.00 63.12 H new ATOM 0 HB VAL A 59 1.888 -2.850 -0.076 1.00 60.44 H new ATOM 0 HG11 VAL A 59 2.820 -0.691 -0.779 1.00 74.22 H new ATOM 0 HG12 VAL A 59 3.137 -1.938 -2.008 1.00 74.22 H new ATOM 0 HG13 VAL A 59 1.850 -0.737 -2.270 1.00 74.22 H new ATOM 0 HG21 VAL A 59 0.625 -0.852 0.634 1.00 2.41 H new ATOM 0 HG22 VAL A 59 -0.336 -0.909 -0.863 1.00 2.41 H new ATOM 0 HG23 VAL A 59 -0.482 -2.214 0.338 1.00 2.41 H new ATOM 860 N LEU A 60 2.147 -3.873 -3.722 1.00 4.13 N ATOM 861 CA LEU A 60 3.128 -4.712 -4.388 1.00 60.24 C ATOM 862 C LEU A 60 4.448 -4.068 -4.220 1.00 22.11 C ATOM 863 O LEU A 60 5.372 -4.671 -3.708 1.00 1.44 O ATOM 864 CB LEU A 60 2.907 -4.790 -5.903 1.00 53.02 C ATOM 865 CG LEU A 60 1.671 -5.565 -6.321 1.00 21.14 C ATOM 866 CD1 LEU A 60 1.210 -5.116 -7.678 1.00 10.21 C ATOM 867 CD2 LEU A 60 1.865 -7.095 -6.261 1.00 44.34 C ATOM 0 H LEU A 60 1.784 -3.111 -4.295 1.00 4.13 H new ATOM 0 HA LEU A 60 3.052 -5.710 -3.956 1.00 60.24 H new ATOM 0 HB2 LEU A 60 2.836 -3.777 -6.299 1.00 53.02 H new ATOM 0 HB3 LEU A 60 3.782 -5.251 -6.361 1.00 53.02 H new ATOM 0 HG LEU A 60 0.890 -5.341 -5.594 1.00 21.14 H new ATOM 0 HD11 LEU A 60 0.323 -5.680 -7.966 1.00 10.21 H new ATOM 0 HD12 LEU A 60 0.970 -4.053 -7.648 1.00 10.21 H new ATOM 0 HD13 LEU A 60 2.002 -5.289 -8.407 1.00 10.21 H new ATOM 0 HD21 LEU A 60 0.945 -7.591 -6.572 1.00 44.34 H new ATOM 0 HD22 LEU A 60 2.677 -7.385 -6.928 1.00 44.34 H new ATOM 0 HD23 LEU A 60 2.110 -7.391 -5.241 1.00 44.34 H new ATOM 879 N ALA A 61 4.585 -2.817 -4.697 1.00 72.01 N ATOM 880 CA ALA A 61 5.842 -2.145 -4.620 1.00 10.12 C ATOM 881 C ALA A 61 5.552 -0.772 -4.179 1.00 41.24 C ATOM 882 O ALA A 61 4.512 -0.219 -4.518 1.00 30.22 O ATOM 883 CB ALA A 61 6.559 -2.043 -5.984 1.00 22.03 C ATOM 0 H ALA A 61 3.835 -2.278 -5.130 1.00 72.01 H new ATOM 0 HA ALA A 61 6.491 -2.704 -3.946 1.00 10.12 H new ATOM 0 HB1 ALA A 61 7.508 -1.522 -5.858 1.00 22.03 H new ATOM 0 HB2 ALA A 61 6.743 -3.044 -6.374 1.00 22.03 H new ATOM 0 HB3 ALA A 61 5.932 -1.491 -6.684 1.00 22.03 H new ATOM 889 N VAL A 62 6.482 -0.178 -3.420 1.00 2.32 N ATOM 890 CA VAL A 62 6.336 1.169 -2.972 1.00 71.33 C ATOM 891 C VAL A 62 7.442 1.912 -3.629 1.00 44.23 C ATOM 892 O VAL A 62 8.592 1.601 -3.438 1.00 14.24 O ATOM 893 CB VAL A 62 6.480 1.329 -1.471 1.00 21.11 C ATOM 894 CG1 VAL A 62 6.331 2.829 -1.102 1.00 21.12 C ATOM 895 CG2 VAL A 62 5.423 0.438 -0.802 1.00 33.42 C ATOM 0 H VAL A 62 7.342 -0.633 -3.114 1.00 2.32 H new ATOM 0 HA VAL A 62 5.337 1.528 -3.220 1.00 71.33 H new ATOM 0 HB VAL A 62 7.462 1.015 -1.117 1.00 21.11 H new ATOM 0 HG11 VAL A 62 6.434 2.950 -0.024 1.00 21.12 H new ATOM 0 HG12 VAL A 62 7.105 3.407 -1.607 1.00 21.12 H new ATOM 0 HG13 VAL A 62 5.350 3.185 -1.415 1.00 21.12 H new ATOM 0 HG21 VAL A 62 5.501 0.531 0.281 1.00 33.42 H new ATOM 0 HG22 VAL A 62 4.429 0.750 -1.122 1.00 33.42 H new ATOM 0 HG23 VAL A 62 5.588 -0.600 -1.089 1.00 33.42 H new ATOM 905 N ASN A 63 7.074 2.897 -4.443 1.00 0.53 N ATOM 906 CA ASN A 63 8.013 3.753 -5.171 1.00 45.42 C ATOM 907 C ASN A 63 9.007 2.914 -5.949 1.00 10.34 C ATOM 908 O ASN A 63 10.173 3.255 -6.065 1.00 2.44 O ATOM 909 CB ASN A 63 8.774 4.782 -4.293 1.00 62.53 C ATOM 910 CG ASN A 63 9.172 5.959 -5.189 1.00 52.24 C ATOM 911 OD1 ASN A 63 8.297 6.638 -5.743 1.00 64.42 O ATOM 912 ND2 ASN A 63 10.479 6.224 -5.341 1.00 52.20 N ATOM 0 H ASN A 63 6.097 3.129 -4.620 1.00 0.53 H new ATOM 0 HA ASN A 63 7.391 4.338 -5.848 1.00 45.42 H new ATOM 0 HB2 ASN A 63 8.144 5.123 -3.472 1.00 62.53 H new ATOM 0 HB3 ASN A 63 9.658 4.325 -3.848 1.00 62.53 H new ATOM 0 HD21 ASN A 63 10.776 7.004 -5.927 1.00 52.20 H new ATOM 0 HD22 ASN A 63 11.175 5.645 -4.871 1.00 52.20 H new ATOM 919 N GLY A 64 8.530 1.797 -6.521 1.00 4.31 N ATOM 920 CA GLY A 64 9.334 1.014 -7.420 1.00 0.41 C ATOM 921 C GLY A 64 9.984 -0.071 -6.655 1.00 33.23 C ATOM 922 O GLY A 64 10.458 -1.048 -7.244 1.00 53.52 O ATOM 0 H GLY A 64 7.591 1.432 -6.365 1.00 4.31 H new ATOM 0 HA2 GLY A 64 8.715 0.597 -8.214 1.00 0.41 H new ATOM 0 HA3 GLY A 64 10.086 1.642 -7.898 1.00 0.41 H new ATOM 926 N VAL A 65 10.054 0.062 -5.319 1.00 4.41 N ATOM 927 CA VAL A 65 10.748 -0.852 -4.515 1.00 14.51 C ATOM 928 C VAL A 65 9.810 -1.988 -4.243 1.00 53.05 C ATOM 929 O VAL A 65 8.764 -1.784 -3.636 1.00 62.50 O ATOM 930 CB VAL A 65 11.085 -0.201 -3.183 1.00 25.10 C ATOM 931 CG1 VAL A 65 11.852 -1.177 -2.335 1.00 3.21 C ATOM 932 CG2 VAL A 65 11.839 1.123 -3.456 1.00 73.11 C ATOM 0 H VAL A 65 9.615 0.824 -4.802 1.00 4.41 H new ATOM 0 HA VAL A 65 11.664 -1.180 -5.007 1.00 14.51 H new ATOM 0 HB VAL A 65 10.189 0.056 -2.619 1.00 25.10 H new ATOM 0 HG11 VAL A 65 12.096 -0.715 -1.379 1.00 3.21 H new ATOM 0 HG12 VAL A 65 11.245 -2.066 -2.164 1.00 3.21 H new ATOM 0 HG13 VAL A 65 12.772 -1.459 -2.847 1.00 3.21 H new ATOM 0 HG21 VAL A 65 12.088 1.602 -2.509 1.00 73.11 H new ATOM 0 HG22 VAL A 65 12.755 0.913 -4.008 1.00 73.11 H new ATOM 0 HG23 VAL A 65 11.206 1.788 -4.044 1.00 73.11 H new ATOM 942 N SER A 66 10.162 -3.215 -4.712 1.00 53.34 N ATOM 943 CA SER A 66 9.338 -4.386 -4.448 1.00 41.11 C ATOM 944 C SER A 66 9.166 -4.517 -2.946 1.00 41.54 C ATOM 945 O SER A 66 10.139 -4.551 -2.183 1.00 13.22 O ATOM 946 CB SER A 66 9.879 -5.721 -5.018 1.00 65.12 C ATOM 947 OG SER A 66 8.868 -6.741 -4.935 1.00 51.40 O ATOM 0 H SER A 66 11.000 -3.400 -5.264 1.00 53.34 H new ATOM 0 HA SER A 66 8.394 -4.217 -4.966 1.00 41.11 H new ATOM 0 HB2 SER A 66 10.185 -5.585 -6.055 1.00 65.12 H new ATOM 0 HB3 SER A 66 10.765 -6.030 -4.463 1.00 65.12 H new ATOM 0 HG SER A 66 9.219 -7.580 -5.299 1.00 51.40 H new ATOM 953 N LEU A 67 7.900 -4.523 -2.520 1.00 23.20 N ATOM 954 CA LEU A 67 7.530 -4.484 -1.132 1.00 52.41 C ATOM 955 C LEU A 67 7.368 -5.904 -0.726 1.00 31.03 C ATOM 956 O LEU A 67 7.359 -6.239 0.424 1.00 60.01 O ATOM 957 CB LEU A 67 6.149 -3.783 -0.998 1.00 35.42 C ATOM 958 CG LEU A 67 5.776 -3.189 0.348 1.00 42.23 C ATOM 959 CD1 LEU A 67 5.191 -4.214 1.331 1.00 74.13 C ATOM 960 CD2 LEU A 67 6.869 -2.286 0.933 1.00 32.33 C ATOM 0 H LEU A 67 7.101 -4.556 -3.153 1.00 23.20 H new ATOM 0 HA LEU A 67 8.267 -3.954 -0.528 1.00 52.41 H new ATOM 0 HB2 LEU A 67 6.108 -2.984 -1.738 1.00 35.42 H new ATOM 0 HB3 LEU A 67 5.380 -4.507 -1.267 1.00 35.42 H new ATOM 0 HG LEU A 67 4.944 -2.512 0.154 1.00 42.23 H new ATOM 0 HD11 LEU A 67 4.948 -3.719 2.271 1.00 74.13 H new ATOM 0 HD12 LEU A 67 4.287 -4.651 0.906 1.00 74.13 H new ATOM 0 HD13 LEU A 67 5.923 -5.001 1.514 1.00 74.13 H new ATOM 0 HD21 LEU A 67 6.540 -1.893 1.895 1.00 32.33 H new ATOM 0 HD22 LEU A 67 7.783 -2.863 1.070 1.00 32.33 H new ATOM 0 HD23 LEU A 67 7.061 -1.459 0.250 1.00 32.33 H new ATOM 972 N GLU A 68 7.246 -6.779 -1.729 1.00 44.51 N ATOM 973 CA GLU A 68 7.041 -8.178 -1.504 1.00 4.13 C ATOM 974 C GLU A 68 8.220 -8.726 -0.703 1.00 61.13 C ATOM 975 O GLU A 68 9.392 -8.571 -1.092 1.00 14.13 O ATOM 976 CB GLU A 68 6.916 -8.964 -2.828 1.00 44.10 C ATOM 977 CG GLU A 68 5.698 -8.528 -3.678 1.00 45.13 C ATOM 978 CD GLU A 68 5.672 -9.354 -4.949 1.00 31.03 C ATOM 979 OE1 GLU A 68 5.780 -10.597 -4.854 1.00 33.43 O ATOM 980 OE2 GLU A 68 5.526 -8.780 -6.054 1.00 62.33 O ATOM 0 H GLU A 68 7.289 -6.518 -2.714 1.00 44.51 H new ATOM 0 HA GLU A 68 6.107 -8.301 -0.956 1.00 4.13 H new ATOM 0 HB2 GLU A 68 7.826 -8.829 -3.412 1.00 44.10 H new ATOM 0 HB3 GLU A 68 6.835 -10.028 -2.606 1.00 44.10 H new ATOM 0 HG2 GLU A 68 4.775 -8.670 -3.116 1.00 45.13 H new ATOM 0 HG3 GLU A 68 5.765 -7.467 -3.918 1.00 45.13 H new ATOM 987 N GLY A 69 7.918 -9.336 0.462 1.00 2.12 N ATOM 988 CA GLY A 69 8.944 -9.904 1.319 1.00 41.32 C ATOM 989 C GLY A 69 9.276 -8.916 2.406 1.00 62.20 C ATOM 990 O GLY A 69 9.920 -9.272 3.394 1.00 31.40 O ATOM 0 H GLY A 69 6.968 -9.441 0.819 1.00 2.12 H new ATOM 0 HA2 GLY A 69 8.595 -10.840 1.755 1.00 41.32 H new ATOM 0 HA3 GLY A 69 9.835 -10.136 0.736 1.00 41.32 H new ATOM 994 N ALA A 70 8.857 -7.635 2.249 1.00 61.20 N ATOM 995 CA ALA A 70 9.155 -6.617 3.241 1.00 55.42 C ATOM 996 C ALA A 70 8.308 -6.897 4.445 1.00 51.11 C ATOM 997 O ALA A 70 7.203 -7.419 4.332 1.00 55.33 O ATOM 998 CB ALA A 70 8.853 -5.170 2.771 1.00 4.20 C ATOM 0 H ALA A 70 8.319 -7.303 1.449 1.00 61.20 H new ATOM 0 HA ALA A 70 10.225 -6.667 3.443 1.00 55.42 H new ATOM 0 HB1 ALA A 70 9.102 -4.469 3.568 1.00 4.20 H new ATOM 0 HB2 ALA A 70 9.450 -4.942 1.888 1.00 4.20 H new ATOM 0 HB3 ALA A 70 7.795 -5.080 2.527 1.00 4.20 H new ATOM 1004 N THR A 71 8.836 -6.581 5.638 1.00 2.15 N ATOM 1005 CA THR A 71 8.126 -6.858 6.851 1.00 25.32 C ATOM 1006 C THR A 71 7.128 -5.737 7.050 1.00 24.23 C ATOM 1007 O THR A 71 7.077 -4.811 6.261 1.00 24.13 O ATOM 1008 CB THR A 71 9.050 -6.962 8.067 1.00 73.14 C ATOM 1009 OG1 THR A 71 9.680 -5.703 8.343 1.00 24.52 O ATOM 1010 CG2 THR A 71 10.153 -7.990 7.750 1.00 61.44 C ATOM 0 H THR A 71 9.746 -6.138 5.766 1.00 2.15 H new ATOM 0 HA THR A 71 7.634 -7.826 6.763 1.00 25.32 H new ATOM 0 HB THR A 71 8.459 -7.260 8.933 1.00 73.14 H new ATOM 0 HG1 THR A 71 10.264 -5.794 9.125 1.00 24.52 H new ATOM 0 HG21 THR A 71 10.823 -8.080 8.605 1.00 61.44 H new ATOM 0 HG22 THR A 71 9.699 -8.959 7.542 1.00 61.44 H new ATOM 0 HG23 THR A 71 10.718 -7.660 6.878 1.00 61.44 H new ATOM 1018 N HIS A 72 6.320 -5.805 8.131 1.00 40.21 N ATOM 1019 CA HIS A 72 5.377 -4.745 8.421 1.00 24.10 C ATOM 1020 C HIS A 72 6.140 -3.465 8.672 1.00 15.11 C ATOM 1021 O HIS A 72 5.850 -2.456 8.054 1.00 25.31 O ATOM 1022 CB HIS A 72 4.402 -5.016 9.597 1.00 34.13 C ATOM 1023 CG HIS A 72 5.015 -4.973 10.972 1.00 62.41 C ATOM 1024 ND1 HIS A 72 5.788 -5.975 11.461 1.00 63.23 N ATOM 1025 CD2 HIS A 72 4.920 -4.036 11.938 1.00 45.41 C ATOM 1026 CE1 HIS A 72 6.152 -5.663 12.689 1.00 62.34 C ATOM 1027 NE2 HIS A 72 5.633 -4.482 13.002 1.00 2.54 N ATOM 0 H HIS A 72 6.314 -6.577 8.797 1.00 40.21 H new ATOM 0 HA HIS A 72 4.736 -4.673 7.542 1.00 24.10 H new ATOM 0 HB2 HIS A 72 3.597 -4.283 9.554 1.00 34.13 H new ATOM 0 HB3 HIS A 72 3.948 -5.996 9.451 1.00 34.13 H new ATOM 0 HD2 HIS A 72 4.377 -3.104 11.876 1.00 45.41 H new ATOM 0 HE1 HIS A 72 6.771 -6.269 13.334 1.00 62.34 H new ATOM 0 HE2 HIS A 72 5.750 -3.994 13.890 1.00 2.54 H new ATOM 1036 N LYS A 73 7.171 -3.485 9.577 1.00 41.40 N ATOM 1037 CA LYS A 73 7.940 -2.266 9.864 1.00 30.10 C ATOM 1038 C LYS A 73 8.506 -1.699 8.590 1.00 12.34 C ATOM 1039 O LYS A 73 8.252 -0.556 8.271 1.00 64.13 O ATOM 1040 CB LYS A 73 9.122 -2.468 10.846 1.00 30.25 C ATOM 1041 CG LYS A 73 8.682 -2.852 12.261 1.00 30.45 C ATOM 1042 CD LYS A 73 9.827 -2.833 13.282 1.00 42.12 C ATOM 1043 CE LYS A 73 9.360 -3.167 14.711 1.00 73.22 C ATOM 1044 NZ LYS A 73 10.452 -3.003 15.687 1.00 54.51 N ATOM 0 H LYS A 73 7.468 -4.312 10.096 1.00 41.40 H new ATOM 0 HA LYS A 73 7.227 -1.591 10.337 1.00 30.10 H new ATOM 0 HB2 LYS A 73 9.780 -3.244 10.455 1.00 30.25 H new ATOM 0 HB3 LYS A 73 9.706 -1.549 10.893 1.00 30.25 H new ATOM 0 HG2 LYS A 73 7.901 -2.166 12.589 1.00 30.45 H new ATOM 0 HG3 LYS A 73 8.242 -3.849 12.239 1.00 30.45 H new ATOM 0 HD2 LYS A 73 10.590 -3.549 12.978 1.00 42.12 H new ATOM 0 HD3 LYS A 73 10.294 -1.848 13.278 1.00 42.12 H new ATOM 0 HE2 LYS A 73 8.527 -2.520 14.983 1.00 73.22 H new ATOM 0 HE3 LYS A 73 8.991 -4.192 14.744 1.00 73.22 H new ATOM 0 HZ1 LYS A 73 10.104 -3.236 16.639 1.00 54.51 H new ATOM 0 HZ2 LYS A 73 11.237 -3.639 15.440 1.00 54.51 H new ATOM 0 HZ3 LYS A 73 10.786 -2.018 15.672 1.00 54.51 H new ATOM 1058 N GLN A 74 9.282 -2.511 7.837 1.00 41.25 N ATOM 1059 CA GLN A 74 9.957 -2.023 6.641 1.00 25.23 C ATOM 1060 C GLN A 74 8.941 -1.530 5.632 1.00 22.44 C ATOM 1061 O GLN A 74 9.106 -0.459 5.057 1.00 31.45 O ATOM 1062 CB GLN A 74 10.814 -3.106 5.982 1.00 30.12 C ATOM 1063 CG GLN A 74 11.812 -3.751 6.956 1.00 41.33 C ATOM 1064 CD GLN A 74 12.948 -2.779 7.279 1.00 51.43 C ATOM 1065 OE1 GLN A 74 12.974 -1.629 6.814 1.00 55.22 O ATOM 1066 NE2 GLN A 74 13.908 -3.239 8.091 1.00 31.21 N ATOM 0 H GLN A 74 9.448 -3.496 8.044 1.00 41.25 H new ATOM 0 HA GLN A 74 10.609 -1.208 6.955 1.00 25.23 H new ATOM 0 HB2 GLN A 74 10.163 -3.878 5.572 1.00 30.12 H new ATOM 0 HB3 GLN A 74 11.360 -2.671 5.145 1.00 30.12 H new ATOM 0 HG2 GLN A 74 11.299 -4.039 7.874 1.00 41.33 H new ATOM 0 HG3 GLN A 74 12.219 -4.663 6.519 1.00 41.33 H new ATOM 0 HE21 GLN A 74 13.855 -4.190 8.455 1.00 31.21 H new ATOM 0 HE22 GLN A 74 14.692 -2.638 8.345 1.00 31.21 H new ATOM 1075 N ALA A 75 7.863 -2.316 5.410 1.00 60.43 N ATOM 1076 CA ALA A 75 6.824 -1.965 4.457 1.00 21.24 C ATOM 1077 C ALA A 75 6.288 -0.593 4.738 1.00 30.42 C ATOM 1078 O ALA A 75 6.207 0.251 3.843 1.00 2.42 O ATOM 1079 CB ALA A 75 5.627 -2.915 4.492 1.00 14.23 C ATOM 0 H ALA A 75 7.704 -3.202 5.890 1.00 60.43 H new ATOM 0 HA ALA A 75 7.304 -2.023 3.480 1.00 21.24 H new ATOM 0 HB1 ALA A 75 4.888 -2.597 3.757 1.00 14.23 H new ATOM 0 HB2 ALA A 75 5.959 -3.927 4.259 1.00 14.23 H new ATOM 0 HB3 ALA A 75 5.180 -2.900 5.486 1.00 14.23 H new ATOM 1085 N VAL A 76 5.900 -0.343 5.992 1.00 60.13 N ATOM 1086 CA VAL A 76 5.260 0.899 6.335 1.00 74.23 C ATOM 1087 C VAL A 76 6.318 1.983 6.329 1.00 33.00 C ATOM 1088 O VAL A 76 6.048 3.106 5.925 1.00 53.31 O ATOM 1089 CB VAL A 76 4.556 0.841 7.688 1.00 31.30 C ATOM 1090 CG1 VAL A 76 3.876 2.189 7.988 1.00 75.33 C ATOM 1091 CG2 VAL A 76 3.526 -0.297 7.612 1.00 52.34 C ATOM 0 H VAL A 76 6.023 -0.989 6.772 1.00 60.13 H new ATOM 0 HA VAL A 76 4.483 1.111 5.601 1.00 74.23 H new ATOM 0 HB VAL A 76 5.264 0.652 8.495 1.00 31.30 H new ATOM 0 HG11 VAL A 76 3.377 2.137 8.955 1.00 75.33 H new ATOM 0 HG12 VAL A 76 4.627 2.979 8.009 1.00 75.33 H new ATOM 0 HG13 VAL A 76 3.142 2.407 7.212 1.00 75.33 H new ATOM 0 HG21 VAL A 76 2.998 -0.374 8.562 1.00 52.34 H new ATOM 0 HG22 VAL A 76 2.812 -0.089 6.816 1.00 52.34 H new ATOM 0 HG23 VAL A 76 4.037 -1.237 7.404 1.00 52.34 H new ATOM 1101 N CYS A 77 7.570 1.649 6.782 1.00 20.42 N ATOM 1102 CA CYS A 77 8.625 2.720 6.875 1.00 40.02 C ATOM 1103 C CYS A 77 8.817 3.257 5.436 1.00 33.31 C ATOM 1104 O CYS A 77 9.253 4.347 5.195 1.00 70.43 O ATOM 1105 CB CYS A 77 9.995 2.141 7.350 1.00 0.01 C ATOM 1106 SG CYS A 77 10.916 3.283 8.422 1.00 35.22 S ATOM 0 H CYS A 77 7.862 0.715 7.070 1.00 20.42 H new ATOM 0 HA CYS A 77 8.313 3.483 7.588 1.00 40.02 H new ATOM 0 HB2 CYS A 77 9.822 1.208 7.886 1.00 0.01 H new ATOM 0 HB3 CYS A 77 10.603 1.900 6.478 1.00 0.01 H new ATOM 0 HG CYS A 77 12.039 2.734 8.777 1.00 35.22 H new ATOM 1111 N THR A 78 8.673 2.327 4.453 1.00 15.13 N ATOM 1112 CA THR A 78 8.922 2.640 3.069 1.00 11.14 C ATOM 1113 C THR A 78 7.774 3.500 2.586 1.00 55.31 C ATOM 1114 O THR A 78 7.987 4.483 1.908 1.00 71.30 O ATOM 1115 CB THR A 78 9.041 1.387 2.193 1.00 31.40 C ATOM 1116 OG1 THR A 78 10.038 0.505 2.738 1.00 1.30 O ATOM 1117 CG2 THR A 78 9.471 1.797 0.760 1.00 74.55 C ATOM 0 H THR A 78 8.385 1.363 4.621 1.00 15.13 H new ATOM 0 HA THR A 78 9.876 3.161 2.990 1.00 11.14 H new ATOM 0 HB THR A 78 8.076 0.881 2.164 1.00 31.40 H new ATOM 0 HG1 THR A 78 9.721 0.139 3.590 1.00 1.30 H new ATOM 0 HG21 THR A 78 9.556 0.907 0.137 1.00 74.55 H new ATOM 0 HG22 THR A 78 8.725 2.468 0.334 1.00 74.55 H new ATOM 0 HG23 THR A 78 10.435 2.305 0.801 1.00 74.55 H new ATOM 1125 N LEU A 79 6.526 3.138 2.975 1.00 0.13 N ATOM 1126 CA LEU A 79 5.330 3.889 2.577 1.00 13.33 C ATOM 1127 C LEU A 79 5.389 5.286 3.130 1.00 61.21 C ATOM 1128 O LEU A 79 4.972 6.221 2.464 1.00 41.10 O ATOM 1129 CB LEU A 79 4.006 3.254 3.087 1.00 33.11 C ATOM 1130 CG LEU A 79 3.551 2.025 2.279 1.00 22.10 C ATOM 1131 CD1 LEU A 79 2.436 1.235 2.993 1.00 64.45 C ATOM 1132 CD2 LEU A 79 3.157 2.399 0.831 1.00 43.15 C ATOM 0 H LEU A 79 6.332 2.328 3.564 1.00 0.13 H new ATOM 0 HA LEU A 79 5.327 3.879 1.487 1.00 13.33 H new ATOM 0 HB2 LEU A 79 4.132 2.964 4.130 1.00 33.11 H new ATOM 0 HB3 LEU A 79 3.219 4.007 3.058 1.00 33.11 H new ATOM 0 HG LEU A 79 4.412 1.359 2.214 1.00 22.10 H new ATOM 0 HD11 LEU A 79 2.150 0.378 2.383 1.00 64.45 H new ATOM 0 HD12 LEU A 79 2.799 0.887 3.960 1.00 64.45 H new ATOM 0 HD13 LEU A 79 1.570 1.881 3.141 1.00 64.45 H new ATOM 0 HD21 LEU A 79 2.842 1.503 0.296 1.00 43.15 H new ATOM 0 HD22 LEU A 79 2.337 3.116 0.851 1.00 43.15 H new ATOM 0 HD23 LEU A 79 4.014 2.842 0.324 1.00 43.15 H new ATOM 1144 N ARG A 80 5.867 5.458 4.379 1.00 14.31 N ATOM 1145 CA ARG A 80 5.841 6.774 4.981 1.00 4.23 C ATOM 1146 C ARG A 80 6.944 7.613 4.384 1.00 44.41 C ATOM 1147 O ARG A 80 6.682 8.703 3.896 1.00 41.25 O ATOM 1148 CB ARG A 80 5.963 6.797 6.525 1.00 22.03 C ATOM 1149 CG ARG A 80 5.668 8.197 7.096 1.00 63.13 C ATOM 1150 CD ARG A 80 5.561 8.258 8.625 1.00 20.41 C ATOM 1151 NE ARG A 80 5.225 9.691 8.989 1.00 45.34 N ATOM 1152 CZ ARG A 80 4.352 10.012 10.012 1.00 2.24 C ATOM 1153 NH1 ARG A 80 3.842 9.043 10.828 1.00 12.03 N ATOM 1154 NH2 ARG A 80 4.006 11.305 10.214 1.00 54.52 N ATOM 0 H ARG A 80 6.260 4.719 4.962 1.00 14.31 H new ATOM 0 HA ARG A 80 4.853 7.178 4.760 1.00 4.23 H new ATOM 0 HB2 ARG A 80 5.270 6.074 6.956 1.00 22.03 H new ATOM 0 HB3 ARG A 80 6.967 6.489 6.816 1.00 22.03 H new ATOM 0 HG2 ARG A 80 6.455 8.879 6.773 1.00 63.13 H new ATOM 0 HG3 ARG A 80 4.735 8.560 6.666 1.00 63.13 H new ATOM 0 HD2 ARG A 80 4.789 7.578 8.985 1.00 20.41 H new ATOM 0 HD3 ARG A 80 6.498 7.952 9.090 1.00 20.41 H new ATOM 0 HE ARG A 80 5.659 10.447 8.459 1.00 45.34 H new ATOM 0 HH11 ARG A 80 4.104 8.067 10.687 1.00 12.03 H new ATOM 0 HH12 ARG A 80 3.199 9.295 11.579 1.00 12.03 H new ATOM 0 HH21 ARG A 80 4.389 12.035 9.613 1.00 54.52 H new ATOM 0 HH22 ARG A 80 3.362 11.549 10.967 1.00 54.52 H new ATOM 1168 N ASN A 81 8.220 7.112 4.435 1.00 32.45 N ATOM 1169 CA ASN A 81 9.416 7.879 3.943 1.00 4.13 C ATOM 1170 C ASN A 81 9.421 7.996 2.422 1.00 4.30 C ATOM 1171 O ASN A 81 10.449 7.797 1.773 1.00 1.14 O ATOM 1172 CB ASN A 81 10.780 7.259 4.367 1.00 15.41 C ATOM 1173 CG ASN A 81 10.918 7.402 5.874 1.00 33.21 C ATOM 1174 OD1 ASN A 81 10.963 8.521 6.396 1.00 71.02 O ATOM 1175 ND2 ASN A 81 10.983 6.272 6.600 1.00 72.11 N ATOM 0 H ASN A 81 8.446 6.190 4.808 1.00 32.45 H new ATOM 0 HA ASN A 81 9.317 8.858 4.411 1.00 4.13 H new ATOM 0 HB2 ASN A 81 10.826 6.209 4.079 1.00 15.41 H new ATOM 0 HB3 ASN A 81 11.602 7.765 3.860 1.00 15.41 H new ATOM 0 HD21 ASN A 81 11.072 6.322 7.615 1.00 72.11 H new ATOM 0 HD22 ASN A 81 10.943 5.365 6.136 1.00 72.11 H new ATOM 1182 N THR A 82 8.297 8.372 1.867 1.00 72.31 N ATOM 1183 CA THR A 82 8.164 8.679 0.482 1.00 1.42 C ATOM 1184 C THR A 82 8.177 10.177 0.395 1.00 54.32 C ATOM 1185 O THR A 82 8.365 10.877 1.406 1.00 30.11 O ATOM 1186 CB THR A 82 6.869 8.143 -0.105 1.00 22.12 C ATOM 1187 OG1 THR A 82 5.778 8.384 0.806 1.00 60.34 O ATOM 1188 CG2 THR A 82 7.056 6.635 -0.284 1.00 65.24 C ATOM 0 H THR A 82 7.427 8.473 2.390 1.00 72.31 H new ATOM 0 HA THR A 82 8.971 8.216 -0.086 1.00 1.42 H new ATOM 0 HB THR A 82 6.640 8.632 -1.052 1.00 22.12 H new ATOM 0 HG1 THR A 82 5.593 7.569 1.318 1.00 60.34 H new ATOM 0 HG21 THR A 82 6.148 6.203 -0.705 1.00 65.24 H new ATOM 0 HG22 THR A 82 7.892 6.450 -0.958 1.00 65.24 H new ATOM 0 HG23 THR A 82 7.261 6.176 0.683 1.00 65.24 H new ATOM 1196 N GLY A 83 7.982 10.700 -0.816 1.00 13.20 N ATOM 1197 CA GLY A 83 7.915 12.117 -1.016 1.00 4.34 C ATOM 1198 C GLY A 83 6.522 12.547 -0.664 1.00 3.20 C ATOM 1199 O GLY A 83 5.834 11.893 0.099 1.00 11.22 O ATOM 0 H GLY A 83 7.869 10.147 -1.666 1.00 13.20 H new ATOM 0 HA2 GLY A 83 8.646 12.629 -0.390 1.00 4.34 H new ATOM 0 HA3 GLY A 83 8.147 12.371 -2.050 1.00 4.34 H new ATOM 1203 N GLN A 84 6.113 13.687 -1.205 1.00 41.00 N ATOM 1204 CA GLN A 84 4.820 14.262 -0.920 1.00 63.45 C ATOM 1205 C GLN A 84 3.735 13.328 -1.437 1.00 2.30 C ATOM 1206 O GLN A 84 2.833 12.917 -0.685 1.00 51.12 O ATOM 1207 CB GLN A 84 4.652 15.633 -1.577 1.00 24.22 C ATOM 1208 CG GLN A 84 3.392 16.362 -1.148 1.00 33.35 C ATOM 1209 CD GLN A 84 3.404 17.725 -1.806 1.00 62.51 C ATOM 1210 OE1 GLN A 84 4.281 18.030 -2.628 1.00 62.51 O ATOM 1211 NE2 GLN A 84 2.432 18.568 -1.456 1.00 24.30 N ATOM 0 H GLN A 84 6.676 14.235 -1.855 1.00 41.00 H new ATOM 0 HA GLN A 84 4.738 14.391 0.159 1.00 63.45 H new ATOM 0 HB2 GLN A 84 5.518 16.250 -1.337 1.00 24.22 H new ATOM 0 HB3 GLN A 84 4.639 15.509 -2.660 1.00 24.22 H new ATOM 0 HG2 GLN A 84 2.506 15.801 -1.445 1.00 33.35 H new ATOM 0 HG3 GLN A 84 3.358 16.461 -0.063 1.00 33.35 H new ATOM 0 HE21 GLN A 84 1.728 18.281 -0.776 1.00 24.30 H new ATOM 0 HE22 GLN A 84 2.392 19.500 -1.868 1.00 24.30 H new ATOM 1220 N VAL A 85 3.811 12.968 -2.723 1.00 1.53 N ATOM 1221 CA VAL A 85 2.885 12.040 -3.306 1.00 71.44 C ATOM 1222 C VAL A 85 3.539 10.690 -3.211 1.00 33.14 C ATOM 1223 O VAL A 85 4.759 10.568 -3.346 1.00 11.34 O ATOM 1224 CB VAL A 85 2.596 12.389 -4.764 1.00 22.25 C ATOM 1225 CG1 VAL A 85 1.764 11.291 -5.452 1.00 22.04 C ATOM 1226 CG2 VAL A 85 1.876 13.744 -4.753 1.00 34.52 C ATOM 0 H VAL A 85 4.517 13.319 -3.370 1.00 1.53 H new ATOM 0 HA VAL A 85 1.928 12.064 -2.785 1.00 71.44 H new ATOM 0 HB VAL A 85 3.517 12.455 -5.343 1.00 22.25 H new ATOM 0 HG11 VAL A 85 1.577 11.572 -6.488 1.00 22.04 H new ATOM 0 HG12 VAL A 85 2.311 10.349 -5.425 1.00 22.04 H new ATOM 0 HG13 VAL A 85 0.814 11.174 -4.931 1.00 22.04 H new ATOM 0 HG21 VAL A 85 1.645 14.042 -5.776 1.00 34.52 H new ATOM 0 HG22 VAL A 85 0.951 13.660 -4.182 1.00 34.52 H new ATOM 0 HG23 VAL A 85 2.519 14.494 -4.293 1.00 34.52 H new ATOM 1236 N VAL A 86 2.735 9.651 -2.926 1.00 15.23 N ATOM 1237 CA VAL A 86 3.241 8.315 -2.758 1.00 73.20 C ATOM 1238 C VAL A 86 2.926 7.603 -4.024 1.00 32.23 C ATOM 1239 O VAL A 86 1.784 7.653 -4.507 1.00 44.35 O ATOM 1240 CB VAL A 86 2.533 7.550 -1.639 1.00 21.50 C ATOM 1241 CG1 VAL A 86 3.227 6.185 -1.411 1.00 42.42 C ATOM 1242 CG2 VAL A 86 2.514 8.435 -0.390 1.00 75.31 C ATOM 0 H VAL A 86 1.725 9.733 -2.810 1.00 15.23 H new ATOM 0 HA VAL A 86 4.302 8.367 -2.513 1.00 73.20 H new ATOM 0 HB VAL A 86 1.500 7.324 -1.905 1.00 21.50 H new ATOM 0 HG11 VAL A 86 2.717 5.646 -0.612 1.00 42.42 H new ATOM 0 HG12 VAL A 86 3.186 5.598 -2.329 1.00 42.42 H new ATOM 0 HG13 VAL A 86 4.268 6.348 -1.131 1.00 42.42 H new ATOM 0 HG21 VAL A 86 2.013 7.908 0.422 1.00 75.31 H new ATOM 0 HG22 VAL A 86 3.537 8.669 -0.094 1.00 75.31 H new ATOM 0 HG23 VAL A 86 1.979 9.359 -0.607 1.00 75.31 H new ATOM 1252 N HIS A 87 3.919 6.931 -4.597 1.00 54.13 N ATOM 1253 CA HIS A 87 3.695 6.140 -5.769 1.00 71.22 C ATOM 1254 C HIS A 87 3.761 4.731 -5.312 1.00 21.32 C ATOM 1255 O HIS A 87 4.743 4.329 -4.704 1.00 13.50 O ATOM 1256 CB HIS A 87 4.788 6.316 -6.846 1.00 72.41 C ATOM 1257 CG HIS A 87 4.329 5.859 -8.197 1.00 43.11 C ATOM 1258 ND1 HIS A 87 3.633 6.682 -9.026 1.00 44.44 N ATOM 1259 CD2 HIS A 87 4.434 4.661 -8.808 1.00 52.23 C ATOM 1260 CE1 HIS A 87 3.322 6.008 -10.125 1.00 22.43 C ATOM 1261 NE2 HIS A 87 3.799 4.770 -10.009 1.00 30.15 N ATOM 0 H HIS A 87 4.881 6.928 -4.258 1.00 54.13 H new ATOM 0 HA HIS A 87 2.747 6.436 -6.217 1.00 71.22 H new ATOM 0 HB2 HIS A 87 5.079 7.365 -6.898 1.00 72.41 H new ATOM 0 HB3 HIS A 87 5.676 5.754 -6.556 1.00 72.41 H new ATOM 0 HD2 HIS A 87 4.927 3.782 -8.419 1.00 52.23 H new ATOM 0 HE1 HIS A 87 2.775 6.397 -10.971 1.00 22.43 H new ATOM 0 HE2 HIS A 87 3.705 4.028 -10.703 1.00 30.15 H new ATOM 1270 N LEU A 88 2.731 3.950 -5.567 1.00 72.44 N ATOM 1271 CA LEU A 88 2.760 2.586 -5.111 1.00 2.44 C ATOM 1272 C LEU A 88 1.849 1.793 -5.954 1.00 75.50 C ATOM 1273 O LEU A 88 0.766 2.238 -6.317 1.00 74.54 O ATOM 1274 CB LEU A 88 2.388 2.385 -3.605 1.00 15.24 C ATOM 1275 CG LEU A 88 0.912 2.684 -3.196 1.00 63.31 C ATOM 1276 CD1 LEU A 88 0.698 2.510 -1.690 1.00 62.33 C ATOM 1277 CD2 LEU A 88 0.380 4.039 -3.685 1.00 63.33 C ATOM 0 H LEU A 88 1.890 4.229 -6.072 1.00 72.44 H new ATOM 0 HA LEU A 88 3.795 2.254 -5.198 1.00 2.44 H new ATOM 0 HB2 LEU A 88 2.612 1.353 -3.335 1.00 15.24 H new ATOM 0 HB3 LEU A 88 3.041 3.020 -3.007 1.00 15.24 H new ATOM 0 HG LEU A 88 0.316 1.936 -3.719 1.00 63.31 H new ATOM 0 HD11 LEU A 88 -0.341 2.727 -1.443 1.00 62.33 H new ATOM 0 HD12 LEU A 88 0.932 1.484 -1.405 1.00 62.33 H new ATOM 0 HD13 LEU A 88 1.350 3.195 -1.148 1.00 62.33 H new ATOM 0 HD21 LEU A 88 -0.652 4.165 -3.357 1.00 63.33 H new ATOM 0 HD22 LEU A 88 0.992 4.841 -3.272 1.00 63.33 H new ATOM 0 HD23 LEU A 88 0.421 4.075 -4.774 1.00 63.33 H new ATOM 1289 N LEU A 89 2.304 0.609 -6.349 1.00 45.31 N ATOM 1290 CA LEU A 89 1.490 -0.303 -7.098 1.00 13.31 C ATOM 1291 C LEU A 89 0.642 -1.033 -6.133 1.00 15.13 C ATOM 1292 O LEU A 89 1.097 -1.431 -5.050 1.00 54.33 O ATOM 1293 CB LEU A 89 2.317 -1.388 -7.852 1.00 3.40 C ATOM 1294 CG LEU A 89 2.964 -0.926 -9.170 1.00 14.40 C ATOM 1295 CD1 LEU A 89 3.677 0.427 -9.063 1.00 72.51 C ATOM 1296 CD2 LEU A 89 3.849 -2.019 -9.802 1.00 61.24 C ATOM 0 H LEU A 89 3.245 0.268 -6.153 1.00 45.31 H new ATOM 0 HA LEU A 89 0.935 0.283 -7.830 1.00 13.31 H new ATOM 0 HB2 LEU A 89 3.103 -1.749 -7.188 1.00 3.40 H new ATOM 0 HB3 LEU A 89 1.665 -2.235 -8.064 1.00 3.40 H new ATOM 0 HG LEU A 89 2.137 -0.757 -9.860 1.00 14.40 H new ATOM 0 HD11 LEU A 89 4.109 0.688 -10.029 1.00 72.51 H new ATOM 0 HD12 LEU A 89 2.961 1.193 -8.766 1.00 72.51 H new ATOM 0 HD13 LEU A 89 4.469 0.363 -8.317 1.00 72.51 H new ATOM 0 HD21 LEU A 89 4.283 -1.645 -10.729 1.00 61.24 H new ATOM 0 HD22 LEU A 89 4.647 -2.286 -9.110 1.00 61.24 H new ATOM 0 HD23 LEU A 89 3.243 -2.900 -10.014 1.00 61.24 H new ATOM 1308 N LEU A 90 -0.590 -1.250 -6.542 1.00 54.11 N ATOM 1309 CA LEU A 90 -1.506 -2.039 -5.774 1.00 53.31 C ATOM 1310 C LEU A 90 -1.715 -3.261 -6.583 1.00 75.20 C ATOM 1311 O LEU A 90 -1.538 -3.233 -7.807 1.00 41.24 O ATOM 1312 CB LEU A 90 -2.943 -1.447 -5.549 1.00 32.02 C ATOM 1313 CG LEU A 90 -3.077 0.088 -5.413 1.00 73.12 C ATOM 1314 CD1 LEU A 90 -2.294 0.712 -4.256 1.00 73.23 C ATOM 1315 CD2 LEU A 90 -2.856 0.816 -6.732 1.00 61.44 C ATOM 0 H LEU A 90 -0.975 -0.883 -7.412 1.00 54.11 H new ATOM 0 HA LEU A 90 -1.066 -2.147 -4.783 1.00 53.31 H new ATOM 0 HB2 LEU A 90 -3.571 -1.766 -6.381 1.00 32.02 H new ATOM 0 HB3 LEU A 90 -3.355 -1.900 -4.647 1.00 32.02 H new ATOM 0 HG LEU A 90 -4.120 0.237 -5.135 1.00 73.12 H new ATOM 0 HD11 LEU A 90 -2.454 1.790 -4.248 1.00 73.23 H new ATOM 0 HD12 LEU A 90 -2.638 0.287 -3.313 1.00 73.23 H new ATOM 0 HD13 LEU A 90 -1.231 0.504 -4.382 1.00 73.23 H new ATOM 0 HD21 LEU A 90 -2.962 1.890 -6.577 1.00 61.44 H new ATOM 0 HD22 LEU A 90 -1.854 0.600 -7.103 1.00 61.44 H new ATOM 0 HD23 LEU A 90 -3.593 0.480 -7.461 1.00 61.44 H new ATOM 1327 N GLU A 91 -2.161 -4.330 -5.952 1.00 51.42 N ATOM 1328 CA GLU A 91 -2.698 -5.438 -6.658 1.00 11.43 C ATOM 1329 C GLU A 91 -4.042 -5.545 -6.050 1.00 11.14 C ATOM 1330 O GLU A 91 -4.164 -5.424 -4.820 1.00 21.21 O ATOM 1331 CB GLU A 91 -1.947 -6.776 -6.400 1.00 24.14 C ATOM 1332 CG GLU A 91 -2.434 -7.951 -7.261 1.00 22.41 C ATOM 1333 CD GLU A 91 -1.567 -9.152 -6.952 1.00 44.43 C ATOM 1334 OE1 GLU A 91 -1.596 -9.627 -5.805 1.00 3.12 O ATOM 1335 OE2 GLU A 91 -0.865 -9.639 -7.853 1.00 41.42 O ATOM 0 H GLU A 91 -2.154 -4.438 -4.938 1.00 51.42 H new ATOM 0 HA GLU A 91 -2.650 -5.286 -7.736 1.00 11.43 H new ATOM 0 HB2 GLU A 91 -0.883 -6.623 -6.583 1.00 24.14 H new ATOM 0 HB3 GLU A 91 -2.054 -7.042 -5.349 1.00 24.14 H new ATOM 0 HG2 GLU A 91 -3.480 -8.172 -7.047 1.00 22.41 H new ATOM 0 HG3 GLU A 91 -2.371 -7.699 -8.320 1.00 22.41 H new ATOM 1342 N LYS A 92 -5.101 -5.715 -6.868 1.00 5.13 N ATOM 1343 CA LYS A 92 -6.436 -5.851 -6.300 1.00 21.24 C ATOM 1344 C LYS A 92 -6.436 -7.090 -5.466 1.00 42.54 C ATOM 1345 O LYS A 92 -5.959 -8.135 -5.897 1.00 65.14 O ATOM 1346 CB LYS A 92 -7.586 -5.933 -7.328 1.00 65.14 C ATOM 1347 CG LYS A 92 -7.773 -4.637 -8.130 1.00 12.52 C ATOM 1348 CD LYS A 92 -8.158 -3.419 -7.266 1.00 73.14 C ATOM 1349 CE LYS A 92 -9.577 -3.472 -6.685 1.00 54.21 C ATOM 1350 NZ LYS A 92 -9.812 -2.294 -5.830 1.00 35.53 N ATOM 0 H LYS A 92 -5.053 -5.759 -7.886 1.00 5.13 H new ATOM 0 HA LYS A 92 -6.633 -4.944 -5.729 1.00 21.24 H new ATOM 0 HB2 LYS A 92 -7.391 -6.754 -8.017 1.00 65.14 H new ATOM 0 HB3 LYS A 92 -8.514 -6.168 -6.807 1.00 65.14 H new ATOM 0 HG2 LYS A 92 -6.849 -4.414 -8.663 1.00 12.52 H new ATOM 0 HG3 LYS A 92 -8.545 -4.795 -8.883 1.00 12.52 H new ATOM 0 HD2 LYS A 92 -7.446 -3.333 -6.445 1.00 73.14 H new ATOM 0 HD3 LYS A 92 -8.060 -2.516 -7.869 1.00 73.14 H new ATOM 0 HE2 LYS A 92 -10.309 -3.499 -7.492 1.00 54.21 H new ATOM 0 HE3 LYS A 92 -9.708 -4.386 -6.105 1.00 54.21 H new ATOM 0 HZ1 LYS A 92 -10.816 -2.254 -5.563 1.00 35.53 H new ATOM 0 HZ2 LYS A 92 -9.228 -2.366 -4.972 1.00 35.53 H new ATOM 0 HZ3 LYS A 92 -9.558 -1.431 -6.351 1.00 35.53 H new ATOM 1364 N GLY A 93 -6.922 -6.956 -4.228 1.00 21.11 N ATOM 1365 CA GLY A 93 -6.779 -8.012 -3.254 1.00 5.22 C ATOM 1366 C GLY A 93 -8.122 -8.499 -2.940 1.00 4.54 C ATOM 1367 O GLY A 93 -8.324 -9.261 -1.990 1.00 11.14 O ATOM 0 H GLY A 93 -7.413 -6.128 -3.890 1.00 21.11 H new ATOM 0 HA2 GLY A 93 -6.161 -8.818 -3.649 1.00 5.22 H new ATOM 0 HA3 GLY A 93 -6.285 -7.642 -2.356 1.00 5.22 H new