USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 146:sc= 0.562 USER MOD Set 1.2: A 97 THR OG1 : rot 140:sc= 1.75 USER MOD Set 2.1: A 54 SER OG : rot 155:sc= 0.706 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.398 K(o=1.1,f=-3.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 0.251 (180deg=-0.46) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.00048) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.471 K(o=0.47,f=-5!) USER MOD Single : A 38 SER OG : rot 81:sc= 1.22 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.747 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0873 K(o=-0.087,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.0976 USER MOD Single : A 72 SER OG : rot 180:sc= -0.103 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00383 X(o=-0.0038,f=-0.059) USER MOD Single : A 81 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 120:sc= -1.18 USER MOD Single : A 89 HIS : no HE2:sc= -0.911 K(o=-0.91,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.746 6.671 -3.133 1.00 44.44 N ATOM 64 CA ARG A 7 7.937 6.316 -2.372 1.00 34.44 C ATOM 65 C ARG A 7 8.450 4.937 -2.778 1.00 42.24 C ATOM 66 O ARG A 7 9.637 4.761 -3.056 1.00 65.25 O ATOM 67 CB ARG A 7 7.637 6.339 -0.873 1.00 54.44 C ATOM 68 CG ARG A 7 8.880 6.258 -0.001 1.00 1.42 C ATOM 69 CD ARG A 7 9.003 7.471 0.907 1.00 54.52 C ATOM 70 NE ARG A 7 9.903 8.480 0.354 1.00 33.12 N ATOM 71 CZ ARG A 7 10.446 9.455 1.074 1.00 53.30 C ATOM 72 NH1 ARG A 7 10.182 9.553 2.370 1.00 2.02 N ATOM 73 NH2 ARG A 7 11.256 10.335 0.499 1.00 54.21 N ATOM 0 HA ARG A 7 8.710 7.052 -2.591 1.00 34.44 H new ATOM 0 HB2 ARG A 7 7.095 7.254 -0.634 1.00 54.44 H new ATOM 0 HB3 ARG A 7 6.978 5.505 -0.630 1.00 54.44 H new ATOM 0 HG2 ARG A 7 8.843 5.352 0.604 1.00 1.42 H new ATOM 0 HG3 ARG A 7 9.765 6.184 -0.633 1.00 1.42 H new ATOM 0 HD2 ARG A 7 8.017 7.910 1.061 1.00 54.52 H new ATOM 0 HD3 ARG A 7 9.368 7.156 1.885 1.00 54.52 H new ATOM 0 HE ARG A 7 10.127 8.433 -0.640 1.00 33.12 H new ATOM 0 HH11 ARG A 7 9.561 8.878 2.816 1.00 2.02 H new ATOM 0 HH12 ARG A 7 10.600 10.303 2.920 1.00 2.02 H new ATOM 0 HH21 ARG A 7 11.462 10.263 -0.497 1.00 54.21 H new ATOM 0 HH22 ARG A 7 11.672 11.083 1.053 1.00 54.21 H new ATOM 87 N LEU A 8 7.548 3.962 -2.808 1.00 62.32 N ATOM 88 CA LEU A 8 7.908 2.598 -3.179 1.00 62.20 C ATOM 89 C LEU A 8 8.412 2.540 -4.617 1.00 61.02 C ATOM 90 O LEU A 8 8.186 3.460 -5.403 1.00 44.43 O ATOM 91 CB LEU A 8 6.705 1.668 -3.011 1.00 44.02 C ATOM 92 CG LEU A 8 5.988 1.735 -1.661 1.00 3.24 C ATOM 93 CD1 LEU A 8 4.926 0.650 -1.566 1.00 0.54 C ATOM 94 CD2 LEU A 8 6.986 1.608 -0.520 1.00 74.31 C ATOM 0 H LEU A 8 6.562 4.091 -2.580 1.00 62.32 H new ATOM 0 HA LEU A 8 8.710 2.268 -2.518 1.00 62.20 H new ATOM 0 HB2 LEU A 8 5.983 1.896 -3.795 1.00 44.02 H new ATOM 0 HB3 LEU A 8 7.038 0.643 -3.172 1.00 44.02 H new ATOM 0 HG LEU A 8 5.496 2.704 -1.581 1.00 3.24 H new ATOM 0 HD11 LEU A 8 4.427 0.713 -0.599 1.00 0.54 H new ATOM 0 HD12 LEU A 8 4.194 0.787 -2.362 1.00 0.54 H new ATOM 0 HD13 LEU A 8 5.395 -0.328 -1.669 1.00 0.54 H new ATOM 0 HD21 LEU A 8 6.458 1.658 0.432 1.00 74.31 H new ATOM 0 HD22 LEU A 8 7.507 0.654 -0.597 1.00 74.31 H new ATOM 0 HD23 LEU A 8 7.709 2.422 -0.577 1.00 74.31 H new ATOM 106 N SER A 9 9.096 1.451 -4.955 1.00 24.41 N ATOM 107 CA SER A 9 9.634 1.273 -6.299 1.00 0.31 C ATOM 108 C SER A 9 9.339 -0.130 -6.821 1.00 41.41 C ATOM 109 O SER A 9 8.666 -0.921 -6.162 1.00 54.54 O ATOM 110 CB SER A 9 11.143 1.525 -6.303 1.00 34.31 C ATOM 111 OG SER A 9 11.533 2.311 -5.191 1.00 3.33 O ATOM 0 H SER A 9 9.291 0.679 -4.317 1.00 24.41 H new ATOM 0 HA SER A 9 9.150 1.995 -6.957 1.00 0.31 H new ATOM 0 HB2 SER A 9 11.674 0.573 -6.283 1.00 34.31 H new ATOM 0 HB3 SER A 9 11.428 2.029 -7.226 1.00 34.31 H new ATOM 0 HG SER A 9 12.502 2.456 -5.216 1.00 3.33 H new ATOM 117 N GLY A 10 9.849 -0.431 -8.011 1.00 3.13 N ATOM 118 CA GLY A 10 9.630 -1.737 -8.604 1.00 44.02 C ATOM 119 C GLY A 10 9.900 -2.868 -7.629 1.00 1.34 C ATOM 120 O GLY A 10 9.161 -3.851 -7.589 1.00 51.30 O ATOM 0 H GLY A 10 10.410 0.207 -8.575 1.00 3.13 H new ATOM 0 HA2 GLY A 10 8.601 -1.804 -8.958 1.00 44.02 H new ATOM 0 HA3 GLY A 10 10.275 -1.850 -9.475 1.00 44.02 H new ATOM 124 N GLY A 11 10.963 -2.728 -6.844 1.00 62.32 N ATOM 125 CA GLY A 11 11.311 -3.754 -5.878 1.00 23.32 C ATOM 126 C GLY A 11 10.182 -4.045 -4.909 1.00 2.20 C ATOM 127 O GLY A 11 9.735 -5.185 -4.791 1.00 11.44 O ATOM 0 H GLY A 11 11.589 -1.923 -6.859 1.00 62.32 H new ATOM 0 HA2 GLY A 11 11.578 -4.670 -6.406 1.00 23.32 H new ATOM 0 HA3 GLY A 11 12.193 -3.439 -5.320 1.00 23.32 H new ATOM 131 N GLU A 12 9.721 -3.010 -4.212 1.00 30.32 N ATOM 132 CA GLU A 12 8.639 -3.162 -3.247 1.00 63.35 C ATOM 133 C GLU A 12 7.320 -3.467 -3.951 1.00 3.11 C ATOM 134 O GLU A 12 6.426 -4.091 -3.377 1.00 4.43 O ATOM 135 CB GLU A 12 8.498 -1.895 -2.401 1.00 31.13 C ATOM 136 CG GLU A 12 8.331 -2.169 -0.916 1.00 51.02 C ATOM 137 CD GLU A 12 9.480 -2.972 -0.338 1.00 33.05 C ATOM 138 OE1 GLU A 12 10.544 -3.039 -0.989 1.00 40.42 O ATOM 139 OE2 GLU A 12 9.315 -3.533 0.766 1.00 11.35 O ATOM 0 H GLU A 12 10.080 -2.059 -4.298 1.00 30.32 H new ATOM 0 HA GLU A 12 8.884 -4.000 -2.594 1.00 63.35 H new ATOM 0 HB2 GLU A 12 9.378 -1.270 -2.550 1.00 31.13 H new ATOM 0 HB3 GLU A 12 7.639 -1.326 -2.755 1.00 31.13 H new ATOM 0 HG2 GLU A 12 8.250 -1.222 -0.383 1.00 51.02 H new ATOM 0 HG3 GLU A 12 7.398 -2.708 -0.752 1.00 51.02 H new ATOM 146 N LEU A 13 7.205 -3.021 -5.197 1.00 61.12 N ATOM 147 CA LEU A 13 5.995 -3.243 -5.981 1.00 32.53 C ATOM 148 C LEU A 13 5.766 -4.733 -6.216 1.00 64.24 C ATOM 149 O LEU A 13 4.628 -5.178 -6.375 1.00 75.43 O ATOM 150 CB LEU A 13 6.092 -2.514 -7.322 1.00 30.05 C ATOM 151 CG LEU A 13 4.779 -1.969 -7.885 1.00 1.44 C ATOM 152 CD1 LEU A 13 4.350 -0.721 -7.126 1.00 61.52 C ATOM 153 CD2 LEU A 13 4.919 -1.668 -9.371 1.00 72.12 C ATOM 0 H LEU A 13 7.935 -2.503 -5.686 1.00 61.12 H new ATOM 0 HA LEU A 13 5.149 -2.847 -5.419 1.00 32.53 H new ATOM 0 HB2 LEU A 13 6.790 -1.684 -7.212 1.00 30.05 H new ATOM 0 HB3 LEU A 13 6.522 -3.197 -8.054 1.00 30.05 H new ATOM 0 HG LEU A 13 4.009 -2.730 -7.759 1.00 1.44 H new ATOM 0 HD11 LEU A 13 3.414 -0.347 -7.540 1.00 61.52 H new ATOM 0 HD12 LEU A 13 4.209 -0.966 -6.073 1.00 61.52 H new ATOM 0 HD13 LEU A 13 5.120 0.045 -7.220 1.00 61.52 H new ATOM 0 HD21 LEU A 13 3.975 -1.281 -9.754 1.00 72.12 H new ATOM 0 HD22 LEU A 13 5.703 -0.925 -9.519 1.00 72.12 H new ATOM 0 HD23 LEU A 13 5.180 -2.582 -9.904 1.00 72.12 H new ATOM 165 N ASP A 14 6.851 -5.498 -6.233 1.00 32.44 N ATOM 166 CA ASP A 14 6.767 -6.939 -6.445 1.00 74.30 C ATOM 167 C ASP A 14 5.975 -7.607 -5.326 1.00 62.11 C ATOM 168 O ASP A 14 5.150 -8.487 -5.575 1.00 65.12 O ATOM 169 CB ASP A 14 8.169 -7.546 -6.527 1.00 32.41 C ATOM 170 CG ASP A 14 8.375 -8.358 -7.790 1.00 34.13 C ATOM 171 OD1 ASP A 14 7.812 -7.980 -8.838 1.00 3.55 O ATOM 172 OD2 ASP A 14 9.101 -9.372 -7.731 1.00 74.31 O ATOM 0 H ASP A 14 7.799 -5.145 -6.103 1.00 32.44 H new ATOM 0 HA ASP A 14 6.248 -7.114 -7.387 1.00 74.30 H new ATOM 0 HB2 ASP A 14 8.910 -6.748 -6.487 1.00 32.41 H new ATOM 0 HB3 ASP A 14 8.338 -8.182 -5.658 1.00 32.41 H new ATOM 177 N LYS A 15 6.231 -7.186 -4.093 1.00 55.52 N ATOM 178 CA LYS A 15 5.542 -7.742 -2.934 1.00 31.14 C ATOM 179 C LYS A 15 4.123 -7.194 -2.830 1.00 5.41 C ATOM 180 O LYS A 15 3.180 -7.935 -2.555 1.00 72.55 O ATOM 181 CB LYS A 15 6.317 -7.425 -1.654 1.00 53.13 C ATOM 182 CG LYS A 15 7.464 -8.383 -1.383 1.00 71.41 C ATOM 183 CD LYS A 15 7.021 -9.554 -0.521 1.00 12.32 C ATOM 184 CE LYS A 15 7.863 -10.792 -0.788 1.00 54.40 C ATOM 185 NZ LYS A 15 8.323 -11.433 0.475 1.00 52.21 N ATOM 0 H LYS A 15 6.912 -6.460 -3.870 1.00 55.52 H new ATOM 0 HA LYS A 15 5.487 -8.823 -3.060 1.00 31.14 H new ATOM 0 HB2 LYS A 15 6.710 -6.410 -1.719 1.00 53.13 H new ATOM 0 HB3 LYS A 15 5.629 -7.447 -0.808 1.00 53.13 H new ATOM 0 HG2 LYS A 15 7.860 -8.755 -2.328 1.00 71.41 H new ATOM 0 HG3 LYS A 15 8.275 -7.850 -0.886 1.00 71.41 H new ATOM 0 HD2 LYS A 15 7.096 -9.281 0.532 1.00 12.32 H new ATOM 0 HD3 LYS A 15 5.972 -9.776 -0.718 1.00 12.32 H new ATOM 0 HE2 LYS A 15 7.281 -11.509 -1.368 1.00 54.40 H new ATOM 0 HE3 LYS A 15 8.728 -10.519 -1.393 1.00 54.40 H new ATOM 0 HZ1 LYS A 15 9.252 -11.875 0.322 1.00 52.21 H new ATOM 0 HZ2 LYS A 15 8.401 -10.713 1.221 1.00 52.21 H new ATOM 0 HZ3 LYS A 15 7.638 -12.160 0.765 1.00 52.21 H new ATOM 199 N TRP A 16 3.978 -5.893 -3.055 1.00 20.13 N ATOM 200 CA TRP A 16 2.672 -5.247 -2.988 1.00 10.24 C ATOM 201 C TRP A 16 1.672 -5.943 -3.906 1.00 14.05 C ATOM 202 O TRP A 16 0.499 -6.087 -3.565 1.00 12.21 O ATOM 203 CB TRP A 16 2.790 -3.771 -3.369 1.00 51.31 C ATOM 204 CG TRP A 16 1.470 -3.064 -3.427 1.00 24.54 C ATOM 205 CD1 TRP A 16 0.881 -2.518 -4.532 1.00 21.44 C ATOM 206 CD2 TRP A 16 0.575 -2.827 -2.335 1.00 15.22 C ATOM 207 NE1 TRP A 16 -0.326 -1.956 -4.193 1.00 53.04 N ATOM 208 CE2 TRP A 16 -0.536 -2.132 -2.851 1.00 3.41 C ATOM 209 CE3 TRP A 16 0.604 -3.135 -0.973 1.00 11.30 C ATOM 210 CZ2 TRP A 16 -1.606 -1.741 -2.049 1.00 31.03 C ATOM 211 CZ3 TRP A 16 -0.457 -2.745 -0.178 1.00 21.24 C ATOM 212 CH2 TRP A 16 -1.551 -2.055 -0.719 1.00 63.31 C ATOM 0 H TRP A 16 4.748 -5.265 -3.285 1.00 20.13 H new ATOM 0 HA TRP A 16 2.310 -5.323 -1.963 1.00 10.24 H new ATOM 0 HB2 TRP A 16 3.432 -3.267 -2.647 1.00 51.31 H new ATOM 0 HB3 TRP A 16 3.279 -3.692 -4.340 1.00 51.31 H new ATOM 0 HD1 TRP A 16 1.302 -2.527 -5.526 1.00 21.44 H new ATOM 0 HE1 TRP A 16 -0.962 -1.484 -4.836 1.00 53.04 H new ATOM 0 HE3 TRP A 16 1.441 -3.669 -0.548 1.00 11.30 H new ATOM 0 HZ2 TRP A 16 -2.449 -1.209 -2.463 1.00 31.03 H new ATOM 0 HZ3 TRP A 16 -0.443 -2.975 0.877 1.00 21.24 H new ATOM 0 HH2 TRP A 16 -2.366 -1.766 -0.073 1.00 63.31 H new ATOM 223 N GLU A 17 2.146 -6.371 -5.072 1.00 21.42 N ATOM 224 CA GLU A 17 1.292 -7.052 -6.039 1.00 4.02 C ATOM 225 C GLU A 17 1.228 -8.549 -5.751 1.00 73.13 C ATOM 226 O GLU A 17 0.434 -9.275 -6.348 1.00 45.11 O ATOM 227 CB GLU A 17 1.806 -6.816 -7.461 1.00 22.22 C ATOM 228 CG GLU A 17 1.518 -5.421 -7.989 1.00 24.21 C ATOM 229 CD GLU A 17 1.346 -5.391 -9.496 1.00 72.51 C ATOM 230 OE1 GLU A 17 0.297 -5.861 -9.984 1.00 42.24 O ATOM 231 OE2 GLU A 17 2.261 -4.898 -10.187 1.00 72.21 O ATOM 0 H GLU A 17 3.115 -6.259 -5.370 1.00 21.42 H new ATOM 0 HA GLU A 17 0.287 -6.640 -5.950 1.00 4.02 H new ATOM 0 HB2 GLU A 17 2.882 -6.988 -7.483 1.00 22.22 H new ATOM 0 HB3 GLU A 17 1.352 -7.549 -8.128 1.00 22.22 H new ATOM 0 HG2 GLU A 17 0.614 -5.037 -7.516 1.00 24.21 H new ATOM 0 HG3 GLU A 17 2.333 -4.754 -7.707 1.00 24.21 H new ATOM 238 N LYS A 18 2.073 -9.004 -4.831 1.00 2.33 N ATOM 239 CA LYS A 18 2.114 -10.414 -4.461 1.00 51.11 C ATOM 240 C LYS A 18 1.013 -10.746 -3.460 1.00 65.15 C ATOM 241 O LYS A 18 0.642 -11.908 -3.292 1.00 32.22 O ATOM 242 CB LYS A 18 3.480 -10.767 -3.869 1.00 65.22 C ATOM 243 CG LYS A 18 3.770 -12.258 -3.856 1.00 0.32 C ATOM 244 CD LYS A 18 4.024 -12.788 -5.258 1.00 61.31 C ATOM 245 CE LYS A 18 3.161 -14.004 -5.558 1.00 53.24 C ATOM 246 NZ LYS A 18 3.577 -14.683 -6.817 1.00 54.12 N ATOM 0 H LYS A 18 2.738 -8.417 -4.328 1.00 2.33 H new ATOM 0 HA LYS A 18 1.951 -11.005 -5.362 1.00 51.11 H new ATOM 0 HB2 LYS A 18 4.257 -10.259 -4.441 1.00 65.22 H new ATOM 0 HB3 LYS A 18 3.534 -10.386 -2.849 1.00 65.22 H new ATOM 0 HG2 LYS A 18 4.639 -12.455 -3.228 1.00 0.32 H new ATOM 0 HG3 LYS A 18 2.929 -12.790 -3.412 1.00 0.32 H new ATOM 0 HD2 LYS A 18 3.817 -12.005 -5.987 1.00 61.31 H new ATOM 0 HD3 LYS A 18 5.076 -13.052 -5.363 1.00 61.31 H new ATOM 0 HE2 LYS A 18 3.224 -14.708 -4.728 1.00 53.24 H new ATOM 0 HE3 LYS A 18 2.118 -13.698 -5.638 1.00 53.24 H new ATOM 0 HZ1 LYS A 18 2.965 -15.506 -6.986 1.00 54.12 H new ATOM 0 HZ2 LYS A 18 3.493 -14.020 -7.613 1.00 54.12 H new ATOM 0 HZ3 LYS A 18 4.565 -14.998 -6.732 1.00 54.12 H new ATOM 260 N ILE A 19 0.492 -9.719 -2.796 1.00 14.33 N ATOM 261 CA ILE A 19 -0.569 -9.902 -1.813 1.00 34.13 C ATOM 262 C ILE A 19 -1.930 -10.026 -2.491 1.00 53.13 C ATOM 263 O ILE A 19 -2.247 -9.273 -3.412 1.00 60.15 O ATOM 264 CB ILE A 19 -0.612 -8.737 -0.808 1.00 5.43 C ATOM 265 CG1 ILE A 19 0.729 -8.611 -0.080 1.00 24.52 C ATOM 266 CG2 ILE A 19 -1.745 -8.938 0.187 1.00 74.35 C ATOM 267 CD1 ILE A 19 1.416 -7.284 -0.306 1.00 75.11 C ATOM 0 H ILE A 19 0.788 -8.751 -2.921 1.00 14.33 H new ATOM 0 HA ILE A 19 -0.348 -10.825 -1.277 1.00 34.13 H new ATOM 0 HB ILE A 19 -0.794 -7.812 -1.355 1.00 5.43 H new ATOM 0 HG12 ILE A 19 0.567 -8.750 0.989 1.00 24.52 H new ATOM 0 HG13 ILE A 19 1.389 -9.413 -0.410 1.00 24.52 H new ATOM 0 HG21 ILE A 19 -1.763 -8.106 0.891 1.00 74.35 H new ATOM 0 HG22 ILE A 19 -2.694 -8.982 -0.347 1.00 74.35 H new ATOM 0 HG23 ILE A 19 -1.591 -9.870 0.730 1.00 74.35 H new ATOM 0 HD11 ILE A 19 2.360 -7.265 0.239 1.00 75.11 H new ATOM 0 HD12 ILE A 19 1.609 -7.151 -1.370 1.00 75.11 H new ATOM 0 HD13 ILE A 19 0.775 -6.477 0.050 1.00 75.11 H new ATOM 279 N ARG A 20 -2.731 -10.979 -2.026 1.00 72.12 N ATOM 280 CA ARG A 20 -4.058 -11.201 -2.586 1.00 60.53 C ATOM 281 C ARG A 20 -5.114 -10.426 -1.804 1.00 43.11 C ATOM 282 O ARG A 20 -5.004 -10.258 -0.589 1.00 41.25 O ATOM 283 CB ARG A 20 -4.395 -12.694 -2.577 1.00 63.12 C ATOM 284 CG ARG A 20 -3.379 -13.552 -3.313 1.00 40.12 C ATOM 285 CD ARG A 20 -3.907 -14.957 -3.552 1.00 20.43 C ATOM 286 NE ARG A 20 -3.076 -15.702 -4.495 1.00 51.21 N ATOM 287 CZ ARG A 20 -1.937 -16.297 -4.158 1.00 52.11 C ATOM 288 NH1 ARG A 20 -1.497 -16.238 -2.908 1.00 4.14 N ATOM 289 NH2 ARG A 20 -1.236 -16.955 -5.073 1.00 70.44 N ATOM 0 H ARG A 20 -2.484 -11.609 -1.263 1.00 72.12 H new ATOM 0 HA ARG A 20 -4.056 -10.842 -3.615 1.00 60.53 H new ATOM 0 HB2 ARG A 20 -4.466 -13.036 -1.544 1.00 63.12 H new ATOM 0 HB3 ARG A 20 -5.376 -12.839 -3.029 1.00 63.12 H new ATOM 0 HG2 ARG A 20 -3.132 -13.087 -4.268 1.00 40.12 H new ATOM 0 HG3 ARG A 20 -2.456 -13.602 -2.735 1.00 40.12 H new ATOM 0 HD2 ARG A 20 -3.950 -15.494 -2.604 1.00 20.43 H new ATOM 0 HD3 ARG A 20 -4.927 -14.901 -3.933 1.00 20.43 H new ATOM 0 HE ARG A 20 -3.387 -15.769 -5.464 1.00 51.21 H new ATOM 0 HH11 ARG A 20 -2.034 -15.735 -2.202 1.00 4.14 H new ATOM 0 HH12 ARG A 20 -0.622 -16.696 -2.653 1.00 4.14 H new ATOM 0 HH21 ARG A 20 -1.572 -17.004 -6.035 1.00 70.44 H new ATOM 0 HH22 ARG A 20 -0.361 -17.412 -4.814 1.00 70.44 H new ATOM 303 N LEU A 21 -6.137 -9.956 -2.509 1.00 12.53 N ATOM 304 CA LEU A 21 -7.214 -9.197 -1.882 1.00 55.34 C ATOM 305 C LEU A 21 -8.119 -10.111 -1.063 1.00 50.30 C ATOM 306 O LEU A 21 -8.566 -9.747 0.025 1.00 54.34 O ATOM 307 CB LEU A 21 -8.035 -8.466 -2.945 1.00 4.43 C ATOM 308 CG LEU A 21 -7.318 -7.341 -3.693 1.00 51.23 C ATOM 309 CD1 LEU A 21 -8.056 -7.000 -4.978 1.00 13.53 C ATOM 310 CD2 LEU A 21 -7.188 -6.110 -2.806 1.00 31.14 C ATOM 0 H LEU A 21 -6.244 -10.087 -3.515 1.00 12.53 H new ATOM 0 HA LEU A 21 -6.766 -8.464 -1.211 1.00 55.34 H new ATOM 0 HB2 LEU A 21 -8.380 -9.198 -3.675 1.00 4.43 H new ATOM 0 HB3 LEU A 21 -8.922 -8.050 -2.467 1.00 4.43 H new ATOM 0 HG LEU A 21 -6.317 -7.683 -3.954 1.00 51.23 H new ATOM 0 HD11 LEU A 21 -7.531 -6.198 -5.497 1.00 13.53 H new ATOM 0 HD12 LEU A 21 -8.097 -7.881 -5.619 1.00 13.53 H new ATOM 0 HD13 LEU A 21 -9.070 -6.677 -4.741 1.00 13.53 H new ATOM 0 HD21 LEU A 21 -6.676 -5.319 -3.354 1.00 31.14 H new ATOM 0 HD22 LEU A 21 -8.180 -5.765 -2.514 1.00 31.14 H new ATOM 0 HD23 LEU A 21 -6.615 -6.363 -1.914 1.00 31.14 H new ATOM 322 N ARG A 22 -8.384 -11.301 -1.592 1.00 72.21 N ATOM 323 CA ARG A 22 -9.235 -12.268 -0.909 1.00 3.41 C ATOM 324 C ARG A 22 -8.412 -13.440 -0.383 1.00 70.24 C ATOM 325 O ARG A 22 -7.283 -13.680 -0.812 1.00 31.11 O ATOM 326 CB ARG A 22 -10.323 -12.779 -1.856 1.00 75.05 C ATOM 327 CG ARG A 22 -11.664 -12.087 -1.674 1.00 73.44 C ATOM 328 CD ARG A 22 -12.583 -12.333 -2.859 1.00 31.10 C ATOM 329 NE ARG A 22 -13.987 -12.390 -2.460 1.00 34.34 N ATOM 330 CZ ARG A 22 -14.999 -12.251 -3.310 1.00 52.51 C ATOM 331 NH1 ARG A 22 -14.763 -12.046 -4.599 1.00 73.13 N ATOM 332 NH2 ARG A 22 -16.249 -12.316 -2.871 1.00 45.33 N ATOM 0 H ARG A 22 -8.022 -11.619 -2.491 1.00 72.21 H new ATOM 0 HA ARG A 22 -9.705 -11.768 -0.062 1.00 3.41 H new ATOM 0 HB2 ARG A 22 -9.990 -12.643 -2.885 1.00 75.05 H new ATOM 0 HB3 ARG A 22 -10.453 -13.850 -1.702 1.00 75.05 H new ATOM 0 HG2 ARG A 22 -12.140 -12.448 -0.762 1.00 73.44 H new ATOM 0 HG3 ARG A 22 -11.508 -11.015 -1.550 1.00 73.44 H new ATOM 0 HD2 ARG A 22 -12.447 -11.540 -3.594 1.00 31.10 H new ATOM 0 HD3 ARG A 22 -12.306 -13.269 -3.345 1.00 31.10 H new ATOM 0 HE ARG A 22 -14.202 -12.545 -1.475 1.00 34.34 H new ATOM 0 HH11 ARG A 22 -13.803 -11.995 -4.940 1.00 73.13 H new ATOM 0 HH12 ARG A 22 -15.542 -11.940 -5.249 1.00 73.13 H new ATOM 0 HH21 ARG A 22 -16.434 -12.473 -1.880 1.00 45.33 H new ATOM 0 HH22 ARG A 22 -17.025 -12.209 -3.524 1.00 45.33 H new ATOM 346 N PRO A 23 -8.989 -14.187 0.571 1.00 75.22 N ATOM 347 CA PRO A 23 -8.325 -15.346 1.176 1.00 44.14 C ATOM 348 C PRO A 23 -8.195 -16.513 0.204 1.00 41.41 C ATOM 349 O PRO A 23 -7.142 -17.143 0.113 1.00 51.20 O ATOM 350 CB PRO A 23 -9.253 -15.718 2.337 1.00 22.12 C ATOM 351 CG PRO A 23 -10.591 -15.204 1.931 1.00 71.13 C ATOM 352 CD PRO A 23 -10.331 -13.959 1.129 1.00 52.45 C ATOM 0 HA PRO A 23 -7.304 -15.117 1.483 1.00 44.14 H new ATOM 0 HB2 PRO A 23 -9.275 -16.796 2.497 1.00 22.12 H new ATOM 0 HB3 PRO A 23 -8.921 -15.264 3.271 1.00 22.12 H new ATOM 0 HG2 PRO A 23 -11.130 -15.944 1.339 1.00 71.13 H new ATOM 0 HG3 PRO A 23 -11.206 -14.985 2.804 1.00 71.13 H new ATOM 0 HD2 PRO A 23 -11.075 -13.824 0.344 1.00 52.45 H new ATOM 0 HD3 PRO A 23 -10.360 -13.066 1.753 1.00 52.45 H new ATOM 360 N GLY A 24 -9.272 -16.796 -0.522 1.00 31.32 N ATOM 361 CA GLY A 24 -9.255 -17.887 -1.479 1.00 1.14 C ATOM 362 C GLY A 24 -9.507 -17.418 -2.898 1.00 12.34 C ATOM 363 O GLY A 24 -10.037 -18.162 -3.721 1.00 22.52 O ATOM 0 H GLY A 24 -10.156 -16.290 -0.465 1.00 31.32 H new ATOM 0 HA2 GLY A 24 -8.290 -18.392 -1.433 1.00 1.14 H new ATOM 0 HA3 GLY A 24 -10.012 -18.621 -1.202 1.00 1.14 H new ATOM 367 N GLY A 25 -9.128 -16.176 -3.186 1.00 14.20 N ATOM 368 CA GLY A 25 -9.324 -15.629 -4.515 1.00 4.10 C ATOM 369 C GLY A 25 -8.035 -15.551 -5.308 1.00 41.24 C ATOM 370 O GLY A 25 -7.023 -16.136 -4.920 1.00 13.30 O ATOM 0 H GLY A 25 -8.688 -15.539 -2.521 1.00 14.20 H new ATOM 0 HA2 GLY A 25 -10.042 -16.246 -5.056 1.00 4.10 H new ATOM 0 HA3 GLY A 25 -9.757 -14.632 -4.434 1.00 4.10 H new ATOM 374 N LYS A 26 -8.070 -14.828 -6.422 1.00 32.31 N ATOM 375 CA LYS A 26 -6.896 -14.676 -7.272 1.00 20.34 C ATOM 376 C LYS A 26 -6.558 -13.202 -7.475 1.00 53.03 C ATOM 377 O LYS A 26 -5.571 -12.865 -8.128 1.00 34.12 O ATOM 378 CB LYS A 26 -7.132 -15.346 -8.628 1.00 32.02 C ATOM 379 CG LYS A 26 -5.857 -15.823 -9.302 1.00 54.31 C ATOM 380 CD LYS A 26 -6.112 -16.259 -10.734 1.00 50.20 C ATOM 381 CE LYS A 26 -5.755 -15.160 -11.724 1.00 32.13 C ATOM 382 NZ LYS A 26 -5.356 -15.714 -13.048 1.00 54.13 N ATOM 0 H LYS A 26 -8.899 -14.338 -6.757 1.00 32.31 H new ATOM 0 HA LYS A 26 -6.055 -15.159 -6.775 1.00 20.34 H new ATOM 0 HB2 LYS A 26 -7.801 -16.196 -8.492 1.00 32.02 H new ATOM 0 HB3 LYS A 26 -7.640 -14.643 -9.288 1.00 32.02 H new ATOM 0 HG2 LYS A 26 -5.117 -15.022 -9.291 1.00 54.31 H new ATOM 0 HG3 LYS A 26 -5.435 -16.655 -8.737 1.00 54.31 H new ATOM 0 HD2 LYS A 26 -5.526 -17.152 -10.953 1.00 50.20 H new ATOM 0 HD3 LYS A 26 -7.161 -16.529 -10.852 1.00 50.20 H new ATOM 0 HE2 LYS A 26 -6.609 -14.494 -11.851 1.00 32.13 H new ATOM 0 HE3 LYS A 26 -4.940 -14.559 -11.321 1.00 32.13 H new ATOM 0 HZ1 LYS A 26 -5.121 -14.934 -13.694 1.00 54.13 H new ATOM 0 HZ2 LYS A 26 -4.526 -16.329 -12.931 1.00 54.13 H new ATOM 0 HZ3 LYS A 26 -6.143 -16.266 -13.445 1.00 54.13 H new ATOM 396 N LYS A 27 -7.382 -12.327 -6.907 1.00 21.45 N ATOM 397 CA LYS A 27 -7.169 -10.890 -7.023 1.00 43.14 C ATOM 398 C LYS A 27 -6.064 -10.426 -6.078 1.00 23.32 C ATOM 399 O LYS A 27 -5.866 -11.005 -5.011 1.00 53.32 O ATOM 400 CB LYS A 27 -8.466 -10.136 -6.717 1.00 55.03 C ATOM 401 CG LYS A 27 -8.848 -9.125 -7.784 1.00 12.14 C ATOM 402 CD LYS A 27 -10.132 -8.395 -7.428 1.00 73.42 C ATOM 403 CE LYS A 27 -11.154 -8.486 -8.550 1.00 71.22 C ATOM 404 NZ LYS A 27 -10.965 -7.409 -9.561 1.00 54.33 N ATOM 0 H LYS A 27 -8.203 -12.589 -6.362 1.00 21.45 H new ATOM 0 HA LYS A 27 -6.862 -10.674 -8.046 1.00 43.14 H new ATOM 0 HB2 LYS A 27 -9.277 -10.856 -6.604 1.00 55.03 H new ATOM 0 HB3 LYS A 27 -8.361 -9.621 -5.762 1.00 55.03 H new ATOM 0 HG2 LYS A 27 -8.041 -8.403 -7.908 1.00 12.14 H new ATOM 0 HG3 LYS A 27 -8.971 -9.633 -8.740 1.00 12.14 H new ATOM 0 HD2 LYS A 27 -10.552 -8.819 -6.516 1.00 73.42 H new ATOM 0 HD3 LYS A 27 -9.911 -7.348 -7.220 1.00 73.42 H new ATOM 0 HE2 LYS A 27 -11.074 -9.458 -9.036 1.00 71.22 H new ATOM 0 HE3 LYS A 27 -12.159 -8.420 -8.132 1.00 71.22 H new ATOM 0 HZ1 LYS A 27 -11.681 -7.506 -10.309 1.00 54.33 H new ATOM 0 HZ2 LYS A 27 -11.066 -6.481 -9.103 1.00 54.33 H new ATOM 0 HZ3 LYS A 27 -10.016 -7.487 -9.978 1.00 54.33 H new ATOM 418 N GLN A 28 -5.351 -9.379 -6.479 1.00 22.44 N ATOM 419 CA GLN A 28 -4.267 -8.838 -5.667 1.00 12.03 C ATOM 420 C GLN A 28 -4.323 -7.315 -5.631 1.00 51.44 C ATOM 421 O GLN A 28 -5.246 -6.704 -6.170 1.00 51.13 O ATOM 422 CB GLN A 28 -2.914 -9.298 -6.214 1.00 51.10 C ATOM 423 CG GLN A 28 -2.691 -10.798 -6.106 1.00 42.35 C ATOM 424 CD GLN A 28 -2.357 -11.436 -7.440 1.00 50.15 C ATOM 425 OE1 GLN A 28 -1.295 -12.035 -7.604 1.00 34.41 O ATOM 426 NE2 GLN A 28 -3.264 -11.309 -8.401 1.00 63.32 N ATOM 0 H GLN A 28 -5.504 -8.889 -7.360 1.00 22.44 H new ATOM 0 HA GLN A 28 -4.386 -9.212 -4.650 1.00 12.03 H new ATOM 0 HB2 GLN A 28 -2.835 -9.002 -7.260 1.00 51.10 H new ATOM 0 HB3 GLN A 28 -2.119 -8.781 -5.676 1.00 51.10 H new ATOM 0 HG2 GLN A 28 -1.881 -10.991 -5.402 1.00 42.35 H new ATOM 0 HG3 GLN A 28 -3.587 -11.266 -5.698 1.00 42.35 H new ATOM 0 HE21 GLN A 28 -4.131 -10.803 -8.220 1.00 63.32 H new ATOM 0 HE22 GLN A 28 -3.094 -11.717 -9.320 1.00 63.32 H new ATOM 435 N TYR A 29 -3.330 -6.707 -4.990 1.00 65.10 N ATOM 436 CA TYR A 29 -3.268 -5.255 -4.880 1.00 42.52 C ATOM 437 C TYR A 29 -2.468 -4.654 -6.032 1.00 4.23 C ATOM 438 O TYR A 29 -1.540 -5.276 -6.550 1.00 41.02 O ATOM 439 CB TYR A 29 -2.642 -4.850 -3.545 1.00 54.43 C ATOM 440 CG TYR A 29 -3.577 -5.003 -2.366 1.00 31.00 C ATOM 441 CD1 TYR A 29 -4.516 -4.024 -2.067 1.00 51.41 C ATOM 442 CD2 TYR A 29 -3.520 -6.127 -1.551 1.00 74.31 C ATOM 443 CE1 TYR A 29 -5.371 -4.160 -0.991 1.00 44.04 C ATOM 444 CE2 TYR A 29 -4.373 -6.272 -0.474 1.00 1.22 C ATOM 445 CZ TYR A 29 -5.296 -5.286 -0.198 1.00 24.00 C ATOM 446 OH TYR A 29 -6.146 -5.426 0.875 1.00 44.34 O ATOM 0 H TYR A 29 -2.558 -7.198 -4.539 1.00 65.10 H new ATOM 0 HA TYR A 29 -4.286 -4.869 -4.929 1.00 42.52 H new ATOM 0 HB2 TYR A 29 -1.752 -5.455 -3.373 1.00 54.43 H new ATOM 0 HB3 TYR A 29 -2.315 -3.812 -3.607 1.00 54.43 H new ATOM 0 HD1 TYR A 29 -4.578 -3.142 -2.686 1.00 51.41 H new ATOM 0 HD2 TYR A 29 -2.797 -6.900 -1.763 1.00 74.31 H new ATOM 0 HE1 TYR A 29 -6.095 -3.389 -0.772 1.00 44.04 H new ATOM 0 HE2 TYR A 29 -4.317 -7.153 0.148 1.00 1.22 H new ATOM 0 HH TYR A 29 -6.373 -6.372 0.991 1.00 44.34 H new ATOM 456 N LYS A 30 -2.835 -3.440 -6.429 1.00 31.51 N ATOM 457 CA LYS A 30 -2.152 -2.753 -7.519 1.00 44.31 C ATOM 458 C LYS A 30 -1.987 -1.268 -7.207 1.00 71.44 C ATOM 459 O LYS A 30 -2.557 -0.759 -6.241 1.00 71.43 O ATOM 460 CB LYS A 30 -2.929 -2.926 -8.825 1.00 43.41 C ATOM 461 CG LYS A 30 -2.243 -3.840 -9.825 1.00 14.43 C ATOM 462 CD LYS A 30 -1.949 -3.117 -11.130 1.00 64.53 C ATOM 463 CE LYS A 30 -3.211 -2.933 -11.960 1.00 1.52 C ATOM 464 NZ LYS A 30 -3.264 -3.880 -13.107 1.00 33.12 N ATOM 0 H LYS A 30 -3.602 -2.912 -6.012 1.00 31.51 H new ATOM 0 HA LYS A 30 -1.162 -3.196 -7.631 1.00 44.31 H new ATOM 0 HB2 LYS A 30 -3.918 -3.325 -8.599 1.00 43.41 H new ATOM 0 HB3 LYS A 30 -3.077 -1.948 -9.282 1.00 43.41 H new ATOM 0 HG2 LYS A 30 -1.313 -4.215 -9.398 1.00 14.43 H new ATOM 0 HG3 LYS A 30 -2.875 -4.706 -10.022 1.00 14.43 H new ATOM 0 HD2 LYS A 30 -1.507 -2.144 -10.917 1.00 64.53 H new ATOM 0 HD3 LYS A 30 -1.214 -3.682 -11.703 1.00 64.53 H new ATOM 0 HE2 LYS A 30 -4.086 -3.080 -11.327 1.00 1.52 H new ATOM 0 HE3 LYS A 30 -3.255 -1.909 -12.332 1.00 1.52 H new ATOM 0 HZ1 LYS A 30 -4.139 -3.722 -13.647 1.00 33.12 H new ATOM 0 HZ2 LYS A 30 -2.442 -3.723 -13.725 1.00 33.12 H new ATOM 0 HZ3 LYS A 30 -3.248 -4.857 -12.751 1.00 33.12 H new ATOM 478 N LEU A 31 -1.204 -0.579 -8.029 1.00 23.13 N ATOM 479 CA LEU A 31 -0.965 0.848 -7.842 1.00 74.31 C ATOM 480 C LEU A 31 -2.277 1.596 -7.629 1.00 54.51 C ATOM 481 O LEU A 31 -2.326 2.591 -6.904 1.00 31.54 O ATOM 482 CB LEU A 31 -0.225 1.424 -9.051 1.00 61.24 C ATOM 483 CG LEU A 31 1.293 1.238 -9.059 1.00 4.22 C ATOM 484 CD1 LEU A 31 1.918 1.887 -7.834 1.00 3.33 C ATOM 485 CD2 LEU A 31 1.648 -0.240 -9.123 1.00 53.11 C ATOM 0 H LEU A 31 -0.723 -0.985 -8.832 1.00 23.13 H new ATOM 0 HA LEU A 31 -0.348 0.975 -6.953 1.00 74.31 H new ATOM 0 HB2 LEU A 31 -0.632 0.967 -9.953 1.00 61.24 H new ATOM 0 HB3 LEU A 31 -0.441 2.491 -9.110 1.00 61.24 H new ATOM 0 HG LEU A 31 1.695 1.726 -9.947 1.00 4.22 H new ATOM 0 HD11 LEU A 31 2.998 1.744 -7.858 1.00 3.33 H new ATOM 0 HD12 LEU A 31 1.693 2.954 -7.833 1.00 3.33 H new ATOM 0 HD13 LEU A 31 1.511 1.429 -6.932 1.00 3.33 H new ATOM 0 HD21 LEU A 31 2.732 -0.354 -9.128 1.00 53.11 H new ATOM 0 HD22 LEU A 31 1.233 -0.752 -8.255 1.00 53.11 H new ATOM 0 HD23 LEU A 31 1.233 -0.675 -10.033 1.00 53.11 H new ATOM 497 N LYS A 32 -3.338 1.112 -8.264 1.00 74.52 N ATOM 498 CA LYS A 32 -4.652 1.731 -8.143 1.00 41.42 C ATOM 499 C LYS A 32 -4.983 2.023 -6.683 1.00 65.13 C ATOM 500 O LYS A 32 -5.575 3.054 -6.364 1.00 42.22 O ATOM 501 CB LYS A 32 -5.725 0.825 -8.749 1.00 32.25 C ATOM 502 CG LYS A 32 -7.140 1.341 -8.552 1.00 23.14 C ATOM 503 CD LYS A 32 -8.143 0.545 -9.372 1.00 54.20 C ATOM 504 CE LYS A 32 -9.365 0.172 -8.548 1.00 50.41 C ATOM 505 NZ LYS A 32 -10.369 1.272 -8.517 1.00 3.43 N ATOM 0 H LYS A 32 -3.314 0.291 -8.869 1.00 74.52 H new ATOM 0 HA LYS A 32 -4.633 2.674 -8.689 1.00 41.42 H new ATOM 0 HB2 LYS A 32 -5.534 0.713 -9.816 1.00 32.25 H new ATOM 0 HB3 LYS A 32 -5.644 -0.167 -8.305 1.00 32.25 H new ATOM 0 HG2 LYS A 32 -7.405 1.285 -7.496 1.00 23.14 H new ATOM 0 HG3 LYS A 32 -7.188 2.392 -8.837 1.00 23.14 H new ATOM 0 HD2 LYS A 32 -8.452 1.130 -10.239 1.00 54.20 H new ATOM 0 HD3 LYS A 32 -7.668 -0.360 -9.751 1.00 54.20 H new ATOM 0 HE2 LYS A 32 -9.823 -0.726 -8.963 1.00 50.41 H new ATOM 0 HE3 LYS A 32 -9.057 -0.068 -7.530 1.00 50.41 H new ATOM 0 HZ1 LYS A 32 -11.187 0.979 -7.946 1.00 3.43 H new ATOM 0 HZ2 LYS A 32 -9.940 2.122 -8.098 1.00 3.43 H new ATOM 0 HZ3 LYS A 32 -10.682 1.484 -9.486 1.00 3.43 H new ATOM 519 N HIS A 33 -4.597 1.109 -5.799 1.00 75.33 N ATOM 520 CA HIS A 33 -4.851 1.269 -4.371 1.00 23.50 C ATOM 521 C HIS A 33 -3.841 2.224 -3.744 1.00 11.25 C ATOM 522 O HIS A 33 -4.280 3.111 -3.011 1.00 61.10 O ATOM 523 CB HIS A 33 -4.793 -0.087 -3.666 1.00 74.13 C ATOM 524 CG HIS A 33 -5.631 -1.141 -4.322 1.00 33.14 C ATOM 525 ND1 HIS A 33 -5.097 -2.242 -4.955 1.00 75.53 N ATOM 526 CD2 HIS A 33 -6.975 -1.256 -4.442 1.00 72.33 C ATOM 527 CE1 HIS A 33 -6.074 -2.990 -5.436 1.00 64.03 C ATOM 528 NE2 HIS A 33 -7.224 -2.413 -5.136 1.00 4.00 N ATOM 0 H HIS A 33 -4.107 0.249 -6.046 1.00 75.33 H new ATOM 0 HA HIS A 33 -5.849 1.691 -4.250 1.00 23.50 H new ATOM 0 HB2 HIS A 33 -3.758 -0.426 -3.634 1.00 74.13 H new ATOM 0 HB3 HIS A 33 -5.121 0.035 -2.634 1.00 74.13 H new ATOM 0 HD2 HIS A 33 -7.713 -0.565 -4.062 1.00 72.33 H new ATOM 0 HE1 HIS A 33 -5.953 -3.915 -5.981 1.00 64.03 H new ATOM 0 HE2 HIS A 33 -8.148 -2.770 -5.381 1.00 4.00 H new ATOM 536 N ILE A 34 -2.545 2.075 -4.002 1.00 23.42 N ATOM 537 CA ILE A 34 -1.544 2.965 -3.427 1.00 45.44 C ATOM 538 C ILE A 34 -1.891 4.426 -3.693 1.00 40.34 C ATOM 539 O ILE A 34 -1.588 5.303 -2.883 1.00 0.32 O ATOM 540 CB ILE A 34 -0.141 2.672 -3.988 1.00 33.34 C ATOM 541 CG1 ILE A 34 0.264 1.229 -3.679 1.00 12.41 C ATOM 542 CG2 ILE A 34 0.874 3.648 -3.414 1.00 41.04 C ATOM 543 CD1 ILE A 34 1.222 0.640 -4.692 1.00 50.30 C ATOM 0 H ILE A 34 -2.164 1.346 -4.606 1.00 23.42 H new ATOM 0 HA ILE A 34 -1.541 2.784 -2.352 1.00 45.44 H new ATOM 0 HB ILE A 34 -0.165 2.799 -5.070 1.00 33.34 H new ATOM 0 HG12 ILE A 34 0.724 1.193 -2.692 1.00 12.41 H new ATOM 0 HG13 ILE A 34 -0.632 0.610 -3.636 1.00 12.41 H new ATOM 0 HG21 ILE A 34 1.861 3.427 -3.821 1.00 41.04 H new ATOM 0 HG22 ILE A 34 0.591 4.666 -3.681 1.00 41.04 H new ATOM 0 HG23 ILE A 34 0.899 3.551 -2.329 1.00 41.04 H new ATOM 0 HD11 ILE A 34 1.466 -0.384 -4.410 1.00 50.30 H new ATOM 0 HD12 ILE A 34 0.757 0.644 -5.678 1.00 50.30 H new ATOM 0 HD13 ILE A 34 2.134 1.236 -4.719 1.00 50.30 H new ATOM 555 N VAL A 35 -2.529 4.680 -4.830 1.00 44.21 N ATOM 556 CA VAL A 35 -2.919 6.035 -5.201 1.00 5.25 C ATOM 557 C VAL A 35 -4.177 6.469 -4.455 1.00 72.32 C ATOM 558 O VAL A 35 -4.219 7.547 -3.864 1.00 54.14 O ATOM 559 CB VAL A 35 -3.170 6.152 -6.717 1.00 51.21 C ATOM 560 CG1 VAL A 35 -3.665 7.546 -7.071 1.00 75.30 C ATOM 561 CG2 VAL A 35 -1.906 5.813 -7.492 1.00 31.14 C ATOM 0 H VAL A 35 -2.787 3.965 -5.511 1.00 44.21 H new ATOM 0 HA VAL A 35 -2.092 6.689 -4.925 1.00 5.25 H new ATOM 0 HB VAL A 35 -3.944 5.437 -6.996 1.00 51.21 H new ATOM 0 HG11 VAL A 35 -3.837 7.609 -8.146 1.00 75.30 H new ATOM 0 HG12 VAL A 35 -4.597 7.746 -6.542 1.00 75.30 H new ATOM 0 HG13 VAL A 35 -2.917 8.283 -6.779 1.00 75.30 H new ATOM 0 HG21 VAL A 35 -2.100 5.900 -8.561 1.00 31.14 H new ATOM 0 HG22 VAL A 35 -1.110 6.503 -7.210 1.00 31.14 H new ATOM 0 HG23 VAL A 35 -1.600 4.793 -7.261 1.00 31.14 H new ATOM 571 N TRP A 36 -5.199 5.621 -4.487 1.00 31.23 N ATOM 572 CA TRP A 36 -6.458 5.917 -3.813 1.00 31.50 C ATOM 573 C TRP A 36 -6.233 6.164 -2.325 1.00 40.54 C ATOM 574 O TRP A 36 -6.865 7.037 -1.730 1.00 60.44 O ATOM 575 CB TRP A 36 -7.446 4.765 -4.007 1.00 3.43 C ATOM 576 CG TRP A 36 -8.763 4.992 -3.328 1.00 4.23 C ATOM 577 CD1 TRP A 36 -9.787 5.782 -3.769 1.00 54.31 C ATOM 578 CD2 TRP A 36 -9.197 4.425 -2.088 1.00 43.13 C ATOM 579 NE1 TRP A 36 -10.831 5.741 -2.876 1.00 75.35 N ATOM 580 CE2 TRP A 36 -10.494 4.914 -1.837 1.00 63.32 C ATOM 581 CE3 TRP A 36 -8.617 3.549 -1.166 1.00 41.30 C ATOM 582 CZ2 TRP A 36 -11.217 4.557 -0.702 1.00 32.32 C ATOM 583 CZ3 TRP A 36 -9.336 3.196 -0.039 1.00 2.03 C ATOM 584 CH2 TRP A 36 -10.625 3.698 0.184 1.00 71.02 C ATOM 0 H TRP A 36 -5.181 4.724 -4.972 1.00 31.23 H new ATOM 0 HA TRP A 36 -6.874 6.823 -4.254 1.00 31.50 H new ATOM 0 HB2 TRP A 36 -7.616 4.617 -5.073 1.00 3.43 H new ATOM 0 HB3 TRP A 36 -7.002 3.846 -3.624 1.00 3.43 H new ATOM 0 HD1 TRP A 36 -9.777 6.355 -4.685 1.00 54.31 H new ATOM 0 HE1 TRP A 36 -11.713 6.244 -2.971 1.00 75.35 H new ATOM 0 HE3 TRP A 36 -7.625 3.155 -1.331 1.00 41.30 H new ATOM 0 HZ2 TRP A 36 -12.210 4.944 -0.527 1.00 32.32 H new ATOM 0 HZ3 TRP A 36 -8.897 2.522 0.682 1.00 2.03 H new ATOM 0 HH2 TRP A 36 -11.162 3.401 1.073 1.00 71.02 H new ATOM 595 N ALA A 37 -5.330 5.392 -1.731 1.00 73.42 N ATOM 596 CA ALA A 37 -5.022 5.530 -0.313 1.00 73.42 C ATOM 597 C ALA A 37 -4.252 6.818 -0.042 1.00 52.13 C ATOM 598 O ALA A 37 -4.669 7.643 0.772 1.00 21.41 O ATOM 599 CB ALA A 37 -4.228 4.326 0.175 1.00 4.43 C ATOM 0 H ALA A 37 -4.799 4.664 -2.209 1.00 73.42 H new ATOM 0 HA ALA A 37 -5.963 5.577 0.235 1.00 73.42 H new ATOM 0 HB1 ALA A 37 -4.005 4.443 1.236 1.00 4.43 H new ATOM 0 HB2 ALA A 37 -4.814 3.419 0.025 1.00 4.43 H new ATOM 0 HB3 ALA A 37 -3.296 4.253 -0.386 1.00 4.43 H new ATOM 605 N SER A 38 -3.125 6.984 -0.727 1.00 40.41 N ATOM 606 CA SER A 38 -2.294 8.170 -0.556 1.00 1.24 C ATOM 607 C SER A 38 -3.115 9.441 -0.750 1.00 4.15 C ATOM 608 O SER A 38 -2.877 10.455 -0.093 1.00 42.00 O ATOM 609 CB SER A 38 -1.128 8.148 -1.546 1.00 54.15 C ATOM 610 OG SER A 38 -0.267 7.051 -1.294 1.00 33.21 O ATOM 0 H SER A 38 -2.766 6.312 -1.406 1.00 40.41 H new ATOM 0 HA SER A 38 -1.900 8.164 0.460 1.00 1.24 H new ATOM 0 HB2 SER A 38 -1.512 8.087 -2.564 1.00 54.15 H new ATOM 0 HB3 SER A 38 -0.567 9.079 -1.473 1.00 54.15 H new ATOM 0 HG SER A 38 -0.647 6.239 -1.691 1.00 33.21 H new ATOM 616 N ARG A 39 -4.085 9.379 -1.657 1.00 12.45 N ATOM 617 CA ARG A 39 -4.942 10.525 -1.940 1.00 35.21 C ATOM 618 C ARG A 39 -6.032 10.662 -0.881 1.00 11.55 C ATOM 619 O ARG A 39 -6.269 11.751 -0.360 1.00 54.24 O ATOM 620 CB ARG A 39 -5.576 10.386 -3.325 1.00 63.14 C ATOM 621 CG ARG A 39 -4.612 10.665 -4.467 1.00 72.34 C ATOM 622 CD ARG A 39 -4.396 12.158 -4.660 1.00 61.11 C ATOM 623 NE ARG A 39 -3.257 12.649 -3.891 1.00 53.55 N ATOM 624 CZ ARG A 39 -1.993 12.368 -4.185 1.00 22.24 C ATOM 625 NH1 ARG A 39 -1.707 11.602 -5.230 1.00 42.14 N ATOM 626 NH2 ARG A 39 -1.011 12.854 -3.436 1.00 32.12 N ATOM 0 H ARG A 39 -4.297 8.548 -2.208 1.00 12.45 H new ATOM 0 HA ARG A 39 -4.324 11.423 -1.920 1.00 35.21 H new ATOM 0 HB2 ARG A 39 -5.973 9.377 -3.434 1.00 63.14 H new ATOM 0 HB3 ARG A 39 -6.421 11.070 -3.399 1.00 63.14 H new ATOM 0 HG2 ARG A 39 -3.657 10.181 -4.265 1.00 72.34 H new ATOM 0 HG3 ARG A 39 -5.001 10.230 -5.388 1.00 72.34 H new ATOM 0 HD2 ARG A 39 -4.237 12.368 -5.718 1.00 61.11 H new ATOM 0 HD3 ARG A 39 -5.295 12.696 -4.360 1.00 61.11 H new ATOM 0 HE ARG A 39 -3.442 13.242 -3.082 1.00 53.55 H new ATOM 0 HH11 ARG A 39 -2.459 11.228 -5.809 1.00 42.14 H new ATOM 0 HH12 ARG A 39 -0.735 11.387 -5.454 1.00 42.14 H new ATOM 0 HH21 ARG A 39 -1.227 13.445 -2.633 1.00 32.12 H new ATOM 0 HH22 ARG A 39 -0.041 12.637 -3.664 1.00 32.12 H new ATOM 640 N GLU A 40 -6.692 9.551 -0.570 1.00 34.54 N ATOM 641 CA GLU A 40 -7.757 9.549 0.424 1.00 72.04 C ATOM 642 C GLU A 40 -7.289 10.197 1.725 1.00 13.14 C ATOM 643 O GLU A 40 -7.947 11.093 2.257 1.00 73.12 O ATOM 644 CB GLU A 40 -8.229 8.119 0.696 1.00 70.35 C ATOM 645 CG GLU A 40 -9.444 8.041 1.605 1.00 63.02 C ATOM 646 CD GLU A 40 -10.655 7.450 0.912 1.00 3.15 C ATOM 647 OE1 GLU A 40 -10.858 7.749 -0.285 1.00 41.34 O ATOM 648 OE2 GLU A 40 -11.401 6.690 1.563 1.00 23.33 O ATOM 0 H GLU A 40 -6.507 8.641 -0.992 1.00 34.54 H new ATOM 0 HA GLU A 40 -8.590 10.130 0.027 1.00 72.04 H new ATOM 0 HB2 GLU A 40 -8.464 7.636 -0.253 1.00 70.35 H new ATOM 0 HB3 GLU A 40 -7.412 7.555 1.147 1.00 70.35 H new ATOM 0 HG2 GLU A 40 -9.200 7.438 2.480 1.00 63.02 H new ATOM 0 HG3 GLU A 40 -9.688 9.040 1.965 1.00 63.02 H new ATOM 655 N LEU A 41 -6.150 9.738 2.230 1.00 40.44 N ATOM 656 CA LEU A 41 -5.592 10.272 3.468 1.00 50.32 C ATOM 657 C LEU A 41 -5.509 11.794 3.416 1.00 53.22 C ATOM 658 O LEU A 41 -5.708 12.471 4.424 1.00 34.11 O ATOM 659 CB LEU A 41 -4.204 9.682 3.722 1.00 14.52 C ATOM 660 CG LEU A 41 -4.171 8.249 4.254 1.00 54.12 C ATOM 661 CD1 LEU A 41 -2.736 7.794 4.471 1.00 71.44 C ATOM 662 CD2 LEU A 41 -4.968 8.142 5.546 1.00 13.11 C ATOM 0 H LEU A 41 -5.594 8.997 1.802 1.00 40.44 H new ATOM 0 HA LEU A 41 -6.254 9.991 4.287 1.00 50.32 H new ATOM 0 HB2 LEU A 41 -3.641 9.715 2.789 1.00 14.52 H new ATOM 0 HB3 LEU A 41 -3.683 10.324 4.432 1.00 14.52 H new ATOM 0 HG LEU A 41 -4.630 7.595 3.512 1.00 54.12 H new ATOM 0 HD11 LEU A 41 -2.732 6.772 4.850 1.00 71.44 H new ATOM 0 HD12 LEU A 41 -2.195 7.833 3.525 1.00 71.44 H new ATOM 0 HD13 LEU A 41 -2.251 8.451 5.193 1.00 71.44 H new ATOM 0 HD21 LEU A 41 -4.934 7.115 5.911 1.00 13.11 H new ATOM 0 HD22 LEU A 41 -4.538 8.807 6.295 1.00 13.11 H new ATOM 0 HD23 LEU A 41 -6.004 8.426 5.359 1.00 13.11 H new ATOM 674 N GLU A 42 -5.214 12.326 2.233 1.00 64.25 N ATOM 675 CA GLU A 42 -5.106 13.768 2.050 1.00 22.21 C ATOM 676 C GLU A 42 -6.417 14.463 2.410 1.00 61.54 C ATOM 677 O GLU A 42 -6.421 15.608 2.862 1.00 70.34 O ATOM 678 CB GLU A 42 -4.725 14.094 0.604 1.00 52.12 C ATOM 679 CG GLU A 42 -3.589 15.095 0.485 1.00 3.42 C ATOM 680 CD GLU A 42 -3.532 15.755 -0.879 1.00 24.34 C ATOM 681 OE1 GLU A 42 -4.201 15.253 -1.807 1.00 2.31 O ATOM 682 OE2 GLU A 42 -2.819 16.770 -1.019 1.00 22.31 O ATOM 0 H GLU A 42 -5.046 11.780 1.388 1.00 64.25 H new ATOM 0 HA GLU A 42 -4.325 14.135 2.716 1.00 22.21 H new ATOM 0 HB2 GLU A 42 -4.441 13.173 0.095 1.00 52.12 H new ATOM 0 HB3 GLU A 42 -5.600 14.487 0.086 1.00 52.12 H new ATOM 0 HG2 GLU A 42 -3.704 15.862 1.251 1.00 3.42 H new ATOM 0 HG3 GLU A 42 -2.643 14.590 0.680 1.00 3.42 H new ATOM 689 N ARG A 43 -7.527 13.761 2.207 1.00 35.31 N ATOM 690 CA ARG A 43 -8.843 14.309 2.509 1.00 2.41 C ATOM 691 C ARG A 43 -9.222 14.045 3.963 1.00 12.30 C ATOM 692 O ARG A 43 -10.110 14.698 4.513 1.00 32.21 O ATOM 693 CB ARG A 43 -9.897 13.704 1.578 1.00 74.23 C ATOM 694 CG ARG A 43 -10.977 14.688 1.160 1.00 50.44 C ATOM 695 CD ARG A 43 -10.948 14.943 -0.338 1.00 15.30 C ATOM 696 NE ARG A 43 -11.742 16.111 -0.710 1.00 5.32 N ATOM 697 CZ ARG A 43 -13.070 16.135 -0.684 1.00 64.45 C ATOM 698 NH1 ARG A 43 -13.749 15.060 -0.306 1.00 52.54 N ATOM 699 NH2 ARG A 43 -13.722 17.235 -1.037 1.00 3.21 N ATOM 0 H ARG A 43 -7.541 12.812 1.835 1.00 35.31 H new ATOM 0 HA ARG A 43 -8.804 15.387 2.352 1.00 2.41 H new ATOM 0 HB2 ARG A 43 -9.403 13.319 0.686 1.00 74.23 H new ATOM 0 HB3 ARG A 43 -10.364 12.854 2.076 1.00 74.23 H new ATOM 0 HG2 ARG A 43 -11.955 14.300 1.445 1.00 50.44 H new ATOM 0 HG3 ARG A 43 -10.840 15.629 1.693 1.00 50.44 H new ATOM 0 HD2 ARG A 43 -9.917 15.088 -0.661 1.00 15.30 H new ATOM 0 HD3 ARG A 43 -11.326 14.066 -0.862 1.00 15.30 H new ATOM 0 HE ARG A 43 -11.250 16.954 -1.006 1.00 5.32 H new ATOM 0 HH11 ARG A 43 -13.252 14.212 -0.034 1.00 52.54 H new ATOM 0 HH12 ARG A 43 -14.769 15.081 -0.287 1.00 52.54 H new ATOM 0 HH21 ARG A 43 -13.204 18.064 -1.329 1.00 3.21 H new ATOM 0 HH22 ARG A 43 -14.742 17.252 -1.017 1.00 3.21 H new ATOM 713 N PHE A 44 -8.543 13.085 4.581 1.00 71.13 N ATOM 714 CA PHE A 44 -8.809 12.733 5.971 1.00 73.10 C ATOM 715 C PHE A 44 -7.843 13.452 6.908 1.00 74.21 C ATOM 716 O PHE A 44 -7.460 12.920 7.949 1.00 52.13 O ATOM 717 CB PHE A 44 -8.697 11.220 6.168 1.00 10.52 C ATOM 718 CG PHE A 44 -9.965 10.480 5.853 1.00 63.34 C ATOM 719 CD1 PHE A 44 -11.157 10.827 6.470 1.00 32.14 C ATOM 720 CD2 PHE A 44 -9.966 9.435 4.943 1.00 72.23 C ATOM 721 CE1 PHE A 44 -12.326 10.148 6.183 1.00 74.43 C ATOM 722 CE2 PHE A 44 -11.132 8.752 4.653 1.00 5.22 C ATOM 723 CZ PHE A 44 -12.313 9.109 5.274 1.00 74.34 C ATOM 0 H PHE A 44 -7.804 12.536 4.141 1.00 71.13 H new ATOM 0 HA PHE A 44 -9.824 13.049 6.211 1.00 73.10 H new ATOM 0 HB2 PHE A 44 -7.896 10.838 5.536 1.00 10.52 H new ATOM 0 HB3 PHE A 44 -8.413 11.016 7.200 1.00 10.52 H new ATOM 0 HD1 PHE A 44 -11.172 11.638 7.183 1.00 32.14 H new ATOM 0 HD2 PHE A 44 -9.045 9.151 4.455 1.00 72.23 H new ATOM 0 HE1 PHE A 44 -13.248 10.430 6.669 1.00 74.43 H new ATOM 0 HE2 PHE A 44 -11.120 7.940 3.941 1.00 5.22 H new ATOM 0 HZ PHE A 44 -13.225 8.576 5.049 1.00 74.34 H new ATOM 733 N ALA A 45 -7.452 14.664 6.529 1.00 54.13 N ATOM 734 CA ALA A 45 -6.531 15.457 7.334 1.00 45.01 C ATOM 735 C ALA A 45 -5.283 14.656 7.690 1.00 62.13 C ATOM 736 O ALA A 45 -4.635 14.916 8.704 1.00 72.33 O ATOM 737 CB ALA A 45 -7.224 15.948 8.598 1.00 34.24 C ATOM 0 H ALA A 45 -7.759 15.119 5.669 1.00 54.13 H new ATOM 0 HA ALA A 45 -6.221 16.319 6.744 1.00 45.01 H new ATOM 0 HB1 ALA A 45 -6.525 16.539 9.190 1.00 34.24 H new ATOM 0 HB2 ALA A 45 -8.081 16.564 8.327 1.00 34.24 H new ATOM 0 HB3 ALA A 45 -7.562 15.093 9.183 1.00 34.24 H new ATOM 743 N VAL A 46 -4.952 13.681 6.850 1.00 61.44 N ATOM 744 CA VAL A 46 -3.781 12.841 7.076 1.00 44.41 C ATOM 745 C VAL A 46 -2.810 12.925 5.905 1.00 1.52 C ATOM 746 O VAL A 46 -3.222 13.015 4.749 1.00 4.24 O ATOM 747 CB VAL A 46 -4.180 11.369 7.294 1.00 15.51 C ATOM 748 CG1 VAL A 46 -2.942 10.490 7.393 1.00 24.14 C ATOM 749 CG2 VAL A 46 -5.043 11.230 8.539 1.00 31.41 C ATOM 0 H VAL A 46 -5.478 13.453 6.006 1.00 61.44 H new ATOM 0 HA VAL A 46 -3.293 13.214 7.976 1.00 44.41 H new ATOM 0 HB VAL A 46 -4.765 11.038 6.436 1.00 15.51 H new ATOM 0 HG11 VAL A 46 -3.243 9.454 7.547 1.00 24.14 H new ATOM 0 HG12 VAL A 46 -2.366 10.567 6.471 1.00 24.14 H new ATOM 0 HG13 VAL A 46 -2.329 10.818 8.232 1.00 24.14 H new ATOM 0 HG21 VAL A 46 -5.316 10.184 8.678 1.00 31.41 H new ATOM 0 HG22 VAL A 46 -4.486 11.578 9.409 1.00 31.41 H new ATOM 0 HG23 VAL A 46 -5.947 11.828 8.424 1.00 31.41 H new ATOM 759 N ASN A 47 -1.517 12.896 6.211 1.00 24.24 N ATOM 760 CA ASN A 47 -0.486 12.969 5.182 1.00 60.04 C ATOM 761 C ASN A 47 -0.147 11.580 4.652 1.00 70.42 C ATOM 762 O ASN A 47 -0.009 10.617 5.407 1.00 3.15 O ATOM 763 CB ASN A 47 0.773 13.636 5.740 1.00 32.35 C ATOM 764 CG ASN A 47 0.981 15.033 5.188 1.00 0.33 C ATOM 765 OD1 ASN A 47 0.054 15.842 5.151 1.00 43.30 O ATOM 766 ND2 ASN A 47 2.202 15.322 4.754 1.00 23.23 N ATOM 0 H ASN A 47 -1.158 12.822 7.163 1.00 24.24 H new ATOM 0 HA ASN A 47 -0.872 13.568 4.357 1.00 60.04 H new ATOM 0 HB2 ASN A 47 0.704 13.684 6.827 1.00 32.35 H new ATOM 0 HB3 ASN A 47 1.642 13.022 5.503 1.00 32.35 H new ATOM 0 HD21 ASN A 47 2.402 16.246 4.371 1.00 23.23 H new ATOM 0 HD22 ASN A 47 2.940 14.620 4.804 1.00 23.23 H new ATOM 773 N PRO A 48 -0.008 11.471 3.323 1.00 3.44 N ATOM 774 CA PRO A 48 0.317 10.205 2.661 1.00 70.42 C ATOM 775 C PRO A 48 1.745 9.753 2.945 1.00 72.20 C ATOM 776 O PRO A 48 2.146 8.652 2.567 1.00 63.14 O ATOM 777 CB PRO A 48 0.144 10.525 1.174 1.00 2.10 C ATOM 778 CG PRO A 48 0.360 11.996 1.077 1.00 34.32 C ATOM 779 CD PRO A 48 -0.159 12.578 2.362 1.00 42.10 C ATOM 0 HA PRO A 48 -0.315 9.389 3.011 1.00 70.42 H new ATOM 0 HB2 PRO A 48 0.863 9.978 0.565 1.00 2.10 H new ATOM 0 HB3 PRO A 48 -0.849 10.246 0.822 1.00 2.10 H new ATOM 0 HG2 PRO A 48 1.417 12.227 0.943 1.00 34.32 H new ATOM 0 HG3 PRO A 48 -0.168 12.412 0.219 1.00 34.32 H new ATOM 0 HD2 PRO A 48 0.413 13.455 2.666 1.00 42.10 H new ATOM 0 HD3 PRO A 48 -1.199 12.892 2.270 1.00 42.10 H new ATOM 787 N GLY A 49 2.511 10.611 3.613 1.00 2.04 N ATOM 788 CA GLY A 49 3.887 10.280 3.936 1.00 43.43 C ATOM 789 C GLY A 49 3.997 9.369 5.143 1.00 5.22 C ATOM 790 O GLY A 49 5.093 9.127 5.650 1.00 50.32 O ATOM 0 H GLY A 49 2.203 11.528 3.936 1.00 2.04 H new ATOM 0 HA2 GLY A 49 4.352 9.797 3.077 1.00 43.43 H new ATOM 0 HA3 GLY A 49 4.443 11.198 4.126 1.00 43.43 H new ATOM 794 N LEU A 50 2.859 8.864 5.605 1.00 41.13 N ATOM 795 CA LEU A 50 2.831 7.975 6.761 1.00 64.44 C ATOM 796 C LEU A 50 2.835 6.514 6.325 1.00 24.43 C ATOM 797 O LEU A 50 3.340 5.643 7.036 1.00 12.10 O ATOM 798 CB LEU A 50 1.596 8.260 7.619 1.00 11.21 C ATOM 799 CG LEU A 50 1.410 9.710 8.068 1.00 33.20 C ATOM 800 CD1 LEU A 50 0.018 9.916 8.641 1.00 43.33 C ATOM 801 CD2 LEU A 50 2.472 10.092 9.088 1.00 13.20 C ATOM 0 H LEU A 50 1.944 9.055 5.197 1.00 41.13 H new ATOM 0 HA LEU A 50 3.728 8.161 7.352 1.00 64.44 H new ATOM 0 HB2 LEU A 50 0.711 7.958 7.058 1.00 11.21 H new ATOM 0 HB3 LEU A 50 1.642 7.629 8.507 1.00 11.21 H new ATOM 0 HG LEU A 50 1.521 10.358 7.198 1.00 33.20 H new ATOM 0 HD11 LEU A 50 -0.096 10.953 8.955 1.00 43.33 H new ATOM 0 HD12 LEU A 50 -0.727 9.683 7.880 1.00 43.33 H new ATOM 0 HD13 LEU A 50 -0.123 9.259 9.499 1.00 43.33 H new ATOM 0 HD21 LEU A 50 2.325 11.127 9.397 1.00 13.20 H new ATOM 0 HD22 LEU A 50 2.393 9.439 9.957 1.00 13.20 H new ATOM 0 HD23 LEU A 50 3.461 9.984 8.642 1.00 13.20 H new ATOM 813 N LEU A 51 2.270 6.250 5.152 1.00 0.13 N ATOM 814 CA LEU A 51 2.209 4.894 4.619 1.00 74.02 C ATOM 815 C LEU A 51 3.583 4.438 4.134 1.00 4.41 C ATOM 816 O LEU A 51 3.774 3.272 3.789 1.00 41.43 O ATOM 817 CB LEU A 51 1.200 4.819 3.472 1.00 12.44 C ATOM 818 CG LEU A 51 -0.147 5.499 3.718 1.00 41.01 C ATOM 819 CD1 LEU A 51 -0.870 5.746 2.403 1.00 75.31 C ATOM 820 CD2 LEU A 51 -1.005 4.658 4.651 1.00 65.01 C ATOM 0 H LEU A 51 1.847 6.958 4.552 1.00 0.13 H new ATOM 0 HA LEU A 51 1.887 4.229 5.421 1.00 74.02 H new ATOM 0 HB2 LEU A 51 1.653 5.265 2.586 1.00 12.44 H new ATOM 0 HB3 LEU A 51 1.018 3.769 3.243 1.00 12.44 H new ATOM 0 HG LEU A 51 0.036 6.463 4.194 1.00 41.01 H new ATOM 0 HD11 LEU A 51 -1.826 6.231 2.599 1.00 75.31 H new ATOM 0 HD12 LEU A 51 -0.261 6.389 1.768 1.00 75.31 H new ATOM 0 HD13 LEU A 51 -1.042 4.795 1.898 1.00 75.31 H new ATOM 0 HD21 LEU A 51 -1.960 5.157 4.815 1.00 65.01 H new ATOM 0 HD22 LEU A 51 -1.179 3.680 4.203 1.00 65.01 H new ATOM 0 HD23 LEU A 51 -0.492 4.534 5.605 1.00 65.01 H new ATOM 832 N GLU A 52 4.535 5.366 4.112 1.00 3.21 N ATOM 833 CA GLU A 52 5.889 5.058 3.670 1.00 52.43 C ATOM 834 C GLU A 52 6.626 4.223 4.714 1.00 1.41 C ATOM 835 O GLU A 52 7.529 3.453 4.387 1.00 1.13 O ATOM 836 CB GLU A 52 6.665 6.348 3.394 1.00 31.15 C ATOM 837 CG GLU A 52 7.283 6.965 4.636 1.00 45.52 C ATOM 838 CD GLU A 52 7.785 8.376 4.399 1.00 20.15 C ATOM 839 OE1 GLU A 52 7.000 9.210 3.902 1.00 45.22 O ATOM 840 OE2 GLU A 52 8.964 8.646 4.708 1.00 55.31 O ATOM 0 H GLU A 52 4.393 6.336 4.395 1.00 3.21 H new ATOM 0 HA GLU A 52 5.820 4.479 2.749 1.00 52.43 H new ATOM 0 HB2 GLU A 52 7.454 6.140 2.671 1.00 31.15 H new ATOM 0 HB3 GLU A 52 5.995 7.074 2.934 1.00 31.15 H new ATOM 0 HG2 GLU A 52 6.544 6.976 5.437 1.00 45.52 H new ATOM 0 HG3 GLU A 52 8.110 6.341 4.974 1.00 45.52 H new ATOM 847 N THR A 53 6.233 4.383 5.974 1.00 53.31 N ATOM 848 CA THR A 53 6.856 3.646 7.067 1.00 45.54 C ATOM 849 C THR A 53 5.852 2.726 7.752 1.00 35.04 C ATOM 850 O THR A 53 4.661 3.032 7.822 1.00 34.43 O ATOM 851 CB THR A 53 7.458 4.600 8.116 1.00 43.31 C ATOM 852 OG1 THR A 53 6.419 5.143 8.939 1.00 31.34 O ATOM 853 CG2 THR A 53 8.222 5.731 7.444 1.00 34.30 C ATOM 0 H THR A 53 5.487 5.016 6.263 1.00 53.31 H new ATOM 0 HA THR A 53 7.655 3.047 6.630 1.00 45.54 H new ATOM 0 HB THR A 53 8.152 4.031 8.735 1.00 43.31 H new ATOM 0 HG1 THR A 53 6.810 5.747 9.604 1.00 31.34 H new ATOM 0 HG21 THR A 53 8.638 6.392 8.205 1.00 34.30 H new ATOM 0 HG22 THR A 53 9.031 5.316 6.842 1.00 34.30 H new ATOM 0 HG23 THR A 53 7.546 6.296 6.803 1.00 34.30 H new ATOM 861 N SER A 54 6.340 1.597 8.255 1.00 71.43 N ATOM 862 CA SER A 54 5.485 0.629 8.932 1.00 62.40 C ATOM 863 C SER A 54 4.838 1.246 10.169 1.00 31.13 C ATOM 864 O SER A 54 3.693 0.943 10.501 1.00 20.41 O ATOM 865 CB SER A 54 6.292 -0.609 9.328 1.00 51.34 C ATOM 866 OG SER A 54 6.604 -0.593 10.711 1.00 24.40 O ATOM 0 H SER A 54 7.323 1.330 8.207 1.00 71.43 H new ATOM 0 HA SER A 54 4.696 0.333 8.240 1.00 62.40 H new ATOM 0 HB2 SER A 54 5.724 -1.509 9.090 1.00 51.34 H new ATOM 0 HB3 SER A 54 7.212 -0.649 8.745 1.00 51.34 H new ATOM 0 HG SER A 54 6.743 -1.511 11.026 1.00 24.40 H new ATOM 872 N GLU A 55 5.583 2.114 10.847 1.00 22.24 N ATOM 873 CA GLU A 55 5.084 2.774 12.048 1.00 61.32 C ATOM 874 C GLU A 55 3.939 3.725 11.710 1.00 41.11 C ATOM 875 O GLU A 55 2.952 3.809 12.439 1.00 72.31 O ATOM 876 CB GLU A 55 6.211 3.541 12.742 1.00 40.12 C ATOM 877 CG GLU A 55 6.699 2.881 14.020 1.00 34.50 C ATOM 878 CD GLU A 55 7.717 3.726 14.762 1.00 24.24 C ATOM 879 OE1 GLU A 55 7.390 4.879 15.111 1.00 11.01 O ATOM 880 OE2 GLU A 55 8.842 3.233 14.992 1.00 3.30 O ATOM 0 H GLU A 55 6.533 2.376 10.585 1.00 22.24 H new ATOM 0 HA GLU A 55 4.708 2.006 12.724 1.00 61.32 H new ATOM 0 HB2 GLU A 55 7.049 3.642 12.052 1.00 40.12 H new ATOM 0 HB3 GLU A 55 5.865 4.549 12.973 1.00 40.12 H new ATOM 0 HG2 GLU A 55 5.848 2.688 14.673 1.00 34.50 H new ATOM 0 HG3 GLU A 55 7.141 1.914 13.779 1.00 34.50 H new ATOM 887 N GLY A 56 4.081 4.441 10.599 1.00 4.12 N ATOM 888 CA GLY A 56 3.052 5.377 10.183 1.00 54.14 C ATOM 889 C GLY A 56 1.715 4.704 9.950 1.00 23.24 C ATOM 890 O GLY A 56 0.665 5.264 10.268 1.00 15.24 O ATOM 0 H GLY A 56 4.890 4.390 9.980 1.00 4.12 H new ATOM 0 HA2 GLY A 56 2.939 6.149 10.944 1.00 54.14 H new ATOM 0 HA3 GLY A 56 3.368 5.876 9.267 1.00 54.14 H new ATOM 894 N CYS A 57 1.751 3.498 9.391 1.00 2.44 N ATOM 895 CA CYS A 57 0.531 2.749 9.113 1.00 31.15 C ATOM 896 C CYS A 57 -0.197 2.396 10.405 1.00 11.14 C ATOM 897 O CYS A 57 -1.378 2.704 10.568 1.00 31.23 O ATOM 898 CB CYS A 57 0.859 1.475 8.332 1.00 63.32 C ATOM 899 SG CYS A 57 1.396 1.767 6.631 1.00 12.22 S ATOM 0 H CYS A 57 2.611 3.019 9.122 1.00 2.44 H new ATOM 0 HA CYS A 57 -0.124 3.378 8.510 1.00 31.15 H new ATOM 0 HB2 CYS A 57 1.642 0.930 8.860 1.00 63.32 H new ATOM 0 HB3 CYS A 57 -0.022 0.834 8.318 1.00 63.32 H new ATOM 0 HG CYS A 57 1.652 0.630 6.055 1.00 12.22 H new ATOM 905 N ARG A 58 0.514 1.746 11.320 1.00 23.42 N ATOM 906 CA ARG A 58 -0.066 1.348 12.598 1.00 33.15 C ATOM 907 C ARG A 58 -0.823 2.508 13.235 1.00 64.03 C ATOM 908 O ARG A 58 -1.948 2.343 13.707 1.00 21.11 O ATOM 909 CB ARG A 58 1.028 0.856 13.546 1.00 71.44 C ATOM 910 CG ARG A 58 0.498 0.044 14.718 1.00 41.41 C ATOM 911 CD ARG A 58 1.448 0.091 15.904 1.00 13.14 C ATOM 912 NE ARG A 58 1.481 -1.175 16.630 1.00 23.03 N ATOM 913 CZ ARG A 58 0.491 -1.602 17.408 1.00 54.41 C ATOM 914 NH1 ARG A 58 -0.602 -0.866 17.559 1.00 73.43 N ATOM 915 NH2 ARG A 58 0.594 -2.765 18.036 1.00 72.20 N ATOM 0 H ARG A 58 1.492 1.484 11.201 1.00 23.42 H new ATOM 0 HA ARG A 58 -0.769 0.536 12.413 1.00 33.15 H new ATOM 0 HB2 ARG A 58 1.737 0.248 12.985 1.00 71.44 H new ATOM 0 HB3 ARG A 58 1.578 1.715 13.929 1.00 71.44 H new ATOM 0 HG2 ARG A 58 -0.477 0.428 15.016 1.00 41.41 H new ATOM 0 HG3 ARG A 58 0.352 -0.991 14.408 1.00 41.41 H new ATOM 0 HD2 ARG A 58 2.451 0.335 15.555 1.00 13.14 H new ATOM 0 HD3 ARG A 58 1.143 0.889 16.581 1.00 13.14 H new ATOM 0 HE ARG A 58 2.308 -1.764 16.535 1.00 23.03 H new ATOM 0 HH11 ARG A 58 -0.684 0.030 17.078 1.00 73.43 H new ATOM 0 HH12 ARG A 58 -1.360 -1.196 18.156 1.00 73.43 H new ATOM 0 HH21 ARG A 58 1.433 -3.333 17.923 1.00 72.20 H new ATOM 0 HH22 ARG A 58 -0.166 -3.092 18.633 1.00 72.20 H new ATOM 929 N GLN A 59 -0.199 3.682 13.247 1.00 24.34 N ATOM 930 CA GLN A 59 -0.814 4.868 13.828 1.00 2.20 C ATOM 931 C GLN A 59 -2.142 5.183 13.147 1.00 71.22 C ATOM 932 O GLN A 59 -3.110 5.570 13.802 1.00 22.43 O ATOM 933 CB GLN A 59 0.129 6.068 13.711 1.00 20.42 C ATOM 934 CG GLN A 59 0.083 6.998 14.912 1.00 74.23 C ATOM 935 CD GLN A 59 1.269 6.813 15.839 1.00 32.34 C ATOM 936 OE1 GLN A 59 1.734 5.694 16.055 1.00 34.22 O ATOM 937 NE2 GLN A 59 1.766 7.913 16.391 1.00 43.23 N ATOM 0 H GLN A 59 0.732 3.836 12.861 1.00 24.34 H new ATOM 0 HA GLN A 59 -1.006 4.666 14.882 1.00 2.20 H new ATOM 0 HB2 GLN A 59 1.149 5.706 13.581 1.00 20.42 H new ATOM 0 HB3 GLN A 59 -0.125 6.633 12.814 1.00 20.42 H new ATOM 0 HG2 GLN A 59 0.055 8.031 14.566 1.00 74.23 H new ATOM 0 HG3 GLN A 59 -0.838 6.823 15.467 1.00 74.23 H new ATOM 0 HE21 GLN A 59 1.349 8.821 16.184 1.00 43.23 H new ATOM 0 HE22 GLN A 59 2.565 7.851 17.022 1.00 43.23 H new ATOM 946 N ILE A 60 -2.180 5.013 11.829 1.00 61.33 N ATOM 947 CA ILE A 60 -3.390 5.278 11.061 1.00 2.43 C ATOM 948 C ILE A 60 -4.484 4.269 11.392 1.00 32.51 C ATOM 949 O ILE A 60 -5.622 4.642 11.677 1.00 62.25 O ATOM 950 CB ILE A 60 -3.113 5.240 9.546 1.00 61.24 C ATOM 951 CG1 ILE A 60 -2.028 6.253 9.177 1.00 41.52 C ATOM 952 CG2 ILE A 60 -4.391 5.517 8.768 1.00 32.45 C ATOM 953 CD1 ILE A 60 -1.247 5.879 7.937 1.00 5.44 C ATOM 0 H ILE A 60 -1.388 4.693 11.272 1.00 61.33 H new ATOM 0 HA ILE A 60 -3.727 6.277 11.336 1.00 2.43 H new ATOM 0 HB ILE A 60 -2.757 4.244 9.281 1.00 61.24 H new ATOM 0 HG12 ILE A 60 -2.490 7.228 9.025 1.00 41.52 H new ATOM 0 HG13 ILE A 60 -1.338 6.355 10.014 1.00 41.52 H new ATOM 0 HG21 ILE A 60 -4.180 5.487 7.699 1.00 32.45 H new ATOM 0 HG22 ILE A 60 -5.137 4.760 9.012 1.00 32.45 H new ATOM 0 HG23 ILE A 60 -4.773 6.502 9.035 1.00 32.45 H new ATOM 0 HD11 ILE A 60 -0.496 6.643 7.736 1.00 5.44 H new ATOM 0 HD12 ILE A 60 -0.756 4.918 8.092 1.00 5.44 H new ATOM 0 HD13 ILE A 60 -1.926 5.806 7.088 1.00 5.44 H new ATOM 965 N LEU A 61 -4.131 2.989 11.354 1.00 71.11 N ATOM 966 CA LEU A 61 -5.083 1.924 11.652 1.00 20.14 C ATOM 967 C LEU A 61 -5.734 2.141 13.014 1.00 63.02 C ATOM 968 O LEU A 61 -6.914 1.850 13.202 1.00 5.21 O ATOM 969 CB LEU A 61 -4.383 0.564 11.620 1.00 43.15 C ATOM 970 CG LEU A 61 -3.586 0.249 10.354 1.00 13.02 C ATOM 971 CD1 LEU A 61 -2.592 -0.872 10.614 1.00 13.31 C ATOM 972 CD2 LEU A 61 -4.522 -0.122 9.213 1.00 44.31 C ATOM 0 H LEU A 61 -3.193 2.663 11.120 1.00 71.11 H new ATOM 0 HA LEU A 61 -5.862 1.943 10.890 1.00 20.14 H new ATOM 0 HB2 LEU A 61 -3.708 0.505 12.474 1.00 43.15 H new ATOM 0 HB3 LEU A 61 -5.136 -0.213 11.754 1.00 43.15 H new ATOM 0 HG LEU A 61 -3.030 1.142 10.067 1.00 13.02 H new ATOM 0 HD11 LEU A 61 -2.034 -1.082 9.702 1.00 13.31 H new ATOM 0 HD12 LEU A 61 -1.901 -0.570 11.401 1.00 13.31 H new ATOM 0 HD13 LEU A 61 -3.128 -1.768 10.926 1.00 13.31 H new ATOM 0 HD21 LEU A 61 -3.937 -0.343 8.320 1.00 44.31 H new ATOM 0 HD22 LEU A 61 -5.105 -1.000 9.491 1.00 44.31 H new ATOM 0 HD23 LEU A 61 -5.195 0.711 9.009 1.00 44.31 H new ATOM 984 N GLY A 62 -4.957 2.657 13.961 1.00 52.32 N ATOM 985 CA GLY A 62 -5.475 2.907 15.293 1.00 5.41 C ATOM 986 C GLY A 62 -6.553 3.974 15.305 1.00 32.54 C ATOM 987 O GLY A 62 -7.486 3.912 16.103 1.00 65.43 O ATOM 0 H GLY A 62 -3.977 2.907 13.829 1.00 52.32 H new ATOM 0 HA2 GLY A 62 -5.880 1.981 15.702 1.00 5.41 H new ATOM 0 HA3 GLY A 62 -4.658 3.213 15.946 1.00 5.41 H new ATOM 991 N GLN A 63 -6.421 4.955 14.417 1.00 43.43 N ATOM 992 CA GLN A 63 -7.390 6.041 14.331 1.00 60.13 C ATOM 993 C GLN A 63 -8.716 5.543 13.766 1.00 42.11 C ATOM 994 O GLN A 63 -9.787 5.910 14.253 1.00 2.21 O ATOM 995 CB GLN A 63 -6.843 7.173 13.459 1.00 65.51 C ATOM 996 CG GLN A 63 -6.777 8.513 14.174 1.00 23.01 C ATOM 997 CD GLN A 63 -5.615 9.366 13.705 1.00 54.53 C ATOM 998 OE1 GLN A 63 -4.779 9.790 14.504 1.00 62.01 O ATOM 999 NE2 GLN A 63 -5.555 9.623 12.404 1.00 42.43 N ATOM 0 H GLN A 63 -5.654 5.020 13.748 1.00 43.43 H new ATOM 0 HA GLN A 63 -7.564 6.420 15.338 1.00 60.13 H new ATOM 0 HB2 GLN A 63 -5.844 6.905 13.114 1.00 65.51 H new ATOM 0 HB3 GLN A 63 -7.470 7.274 12.573 1.00 65.51 H new ATOM 0 HG2 GLN A 63 -7.709 9.054 14.011 1.00 23.01 H new ATOM 0 HG3 GLN A 63 -6.689 8.344 15.247 1.00 23.01 H new ATOM 0 HE21 GLN A 63 -6.269 9.252 11.777 1.00 42.43 H new ATOM 0 HE22 GLN A 63 -4.795 10.192 12.031 1.00 42.43 H new ATOM 1008 N LEU A 64 -8.639 4.707 12.737 1.00 22.04 N ATOM 1009 CA LEU A 64 -9.834 4.159 12.104 1.00 52.13 C ATOM 1010 C LEU A 64 -10.355 2.953 12.879 1.00 74.45 C ATOM 1011 O LEU A 64 -11.518 2.573 12.745 1.00 74.31 O ATOM 1012 CB LEU A 64 -9.532 3.759 10.659 1.00 71.03 C ATOM 1013 CG LEU A 64 -8.610 4.700 9.881 1.00 64.43 C ATOM 1014 CD1 LEU A 64 -8.170 4.056 8.576 1.00 23.14 C ATOM 1015 CD2 LEU A 64 -9.305 6.027 9.615 1.00 71.24 C ATOM 0 H LEU A 64 -7.761 4.393 12.323 1.00 22.04 H new ATOM 0 HA LEU A 64 -10.604 4.931 12.107 1.00 52.13 H new ATOM 0 HB2 LEU A 64 -9.084 2.765 10.664 1.00 71.03 H new ATOM 0 HB3 LEU A 64 -10.476 3.680 10.120 1.00 71.03 H new ATOM 0 HG LEU A 64 -7.723 4.892 10.485 1.00 64.43 H new ATOM 0 HD11 LEU A 64 -7.515 4.739 8.036 1.00 23.14 H new ATOM 0 HD12 LEU A 64 -7.633 3.131 8.789 1.00 23.14 H new ATOM 0 HD13 LEU A 64 -9.046 3.835 7.966 1.00 23.14 H new ATOM 0 HD21 LEU A 64 -8.635 6.684 9.061 1.00 71.24 H new ATOM 0 HD22 LEU A 64 -10.209 5.854 9.031 1.00 71.24 H new ATOM 0 HD23 LEU A 64 -9.570 6.495 10.563 1.00 71.24 H new ATOM 1027 N GLN A 65 -9.487 2.357 13.690 1.00 63.23 N ATOM 1028 CA GLN A 65 -9.861 1.195 14.488 1.00 12.10 C ATOM 1029 C GLN A 65 -11.189 1.428 15.201 1.00 1.32 C ATOM 1030 O GLN A 65 -12.165 0.705 15.000 1.00 62.35 O ATOM 1031 CB GLN A 65 -8.769 0.879 15.511 1.00 34.25 C ATOM 1032 CG GLN A 65 -8.146 -0.497 15.331 1.00 2.54 C ATOM 1033 CD GLN A 65 -7.708 -1.116 16.643 1.00 54.31 C ATOM 1034 OE1 GLN A 65 -8.221 -0.771 17.707 1.00 43.53 O ATOM 1035 NE2 GLN A 65 -6.752 -2.036 16.574 1.00 23.44 N ATOM 0 H GLN A 65 -8.520 2.659 13.812 1.00 63.23 H new ATOM 0 HA GLN A 65 -9.975 0.346 13.814 1.00 12.10 H new ATOM 0 HB2 GLN A 65 -7.987 1.635 15.440 1.00 34.25 H new ATOM 0 HB3 GLN A 65 -9.191 0.949 16.514 1.00 34.25 H new ATOM 0 HG2 GLN A 65 -8.865 -1.156 14.845 1.00 2.54 H new ATOM 0 HG3 GLN A 65 -7.286 -0.418 14.666 1.00 2.54 H new ATOM 0 HE21 GLN A 65 -6.355 -2.292 15.670 1.00 23.44 H new ATOM 0 HE22 GLN A 65 -6.415 -2.487 17.425 1.00 23.44 H new ATOM 1044 N PRO A 66 -11.230 2.463 16.054 1.00 54.11 N ATOM 1045 CA PRO A 66 -12.433 2.816 16.814 1.00 15.22 C ATOM 1046 C PRO A 66 -13.536 3.379 15.924 1.00 73.12 C ATOM 1047 O PRO A 66 -14.630 3.685 16.395 1.00 64.35 O ATOM 1048 CB PRO A 66 -11.934 3.885 17.790 1.00 63.52 C ATOM 1049 CG PRO A 66 -10.745 4.482 17.122 1.00 13.32 C ATOM 1050 CD PRO A 66 -10.104 3.368 16.341 1.00 44.54 C ATOM 0 HA PRO A 66 -12.877 1.948 17.302 1.00 15.22 H new ATOM 0 HB2 PRO A 66 -12.700 4.636 17.980 1.00 63.52 H new ATOM 0 HB3 PRO A 66 -11.670 3.449 18.753 1.00 63.52 H new ATOM 0 HG2 PRO A 66 -11.037 5.301 16.465 1.00 13.32 H new ATOM 0 HG3 PRO A 66 -10.051 4.894 17.855 1.00 13.32 H new ATOM 0 HD2 PRO A 66 -9.639 3.734 15.426 1.00 44.54 H new ATOM 0 HD3 PRO A 66 -9.324 2.870 16.917 1.00 44.54 H new ATOM 1058 N SER A 67 -13.239 3.514 14.635 1.00 63.35 N ATOM 1059 CA SER A 67 -14.205 4.044 13.680 1.00 63.40 C ATOM 1060 C SER A 67 -14.736 2.938 12.774 1.00 30.41 C ATOM 1061 O SER A 67 -15.710 3.130 12.044 1.00 72.33 O ATOM 1062 CB SER A 67 -13.567 5.148 12.836 1.00 31.04 C ATOM 1063 OG SER A 67 -14.338 6.336 12.881 1.00 4.41 O ATOM 0 H SER A 67 -12.338 3.264 14.229 1.00 63.35 H new ATOM 0 HA SER A 67 -15.041 4.463 14.241 1.00 63.40 H new ATOM 0 HB2 SER A 67 -12.559 5.351 13.199 1.00 31.04 H new ATOM 0 HB3 SER A 67 -13.472 4.812 11.804 1.00 31.04 H new ATOM 0 HG SER A 67 -13.907 7.026 12.335 1.00 4.41 H new ATOM 1069 N LEU A 68 -14.090 1.779 12.825 1.00 74.24 N ATOM 1070 CA LEU A 68 -14.495 0.640 12.008 1.00 71.44 C ATOM 1071 C LEU A 68 -15.912 0.197 12.357 1.00 23.03 C ATOM 1072 O LEU A 68 -16.601 -0.411 11.538 1.00 11.32 O ATOM 1073 CB LEU A 68 -13.522 -0.526 12.205 1.00 45.12 C ATOM 1074 CG LEU A 68 -12.237 -0.473 11.379 1.00 21.04 C ATOM 1075 CD1 LEU A 68 -11.110 -1.199 12.099 1.00 1.34 C ATOM 1076 CD2 LEU A 68 -12.465 -1.074 9.999 1.00 1.30 C ATOM 0 H LEU A 68 -13.283 1.603 13.424 1.00 74.24 H new ATOM 0 HA LEU A 68 -14.477 0.949 10.963 1.00 71.44 H new ATOM 0 HB2 LEU A 68 -13.251 -0.573 13.260 1.00 45.12 H new ATOM 0 HB3 LEU A 68 -14.044 -1.453 11.969 1.00 45.12 H new ATOM 0 HG LEU A 68 -11.949 0.571 11.256 1.00 21.04 H new ATOM 0 HD11 LEU A 68 -10.203 -1.151 11.496 1.00 1.34 H new ATOM 0 HD12 LEU A 68 -10.930 -0.725 13.064 1.00 1.34 H new ATOM 0 HD13 LEU A 68 -11.389 -2.241 12.253 1.00 1.34 H new ATOM 0 HD21 LEU A 68 -11.540 -1.028 9.425 1.00 1.30 H new ATOM 0 HD22 LEU A 68 -12.777 -2.113 10.102 1.00 1.30 H new ATOM 0 HD23 LEU A 68 -13.242 -0.512 9.481 1.00 1.30 H new ATOM 1088 N GLN A 69 -16.342 0.510 13.575 1.00 71.42 N ATOM 1089 CA GLN A 69 -17.678 0.145 14.030 1.00 45.12 C ATOM 1090 C GLN A 69 -18.745 0.903 13.246 1.00 60.23 C ATOM 1091 O GLN A 69 -19.756 0.330 12.838 1.00 20.51 O ATOM 1092 CB GLN A 69 -17.827 0.433 15.525 1.00 65.35 C ATOM 1093 CG GLN A 69 -19.180 0.032 16.090 1.00 44.03 C ATOM 1094 CD GLN A 69 -19.215 -1.411 16.553 1.00 53.33 C ATOM 1095 OE1 GLN A 69 -18.223 -2.133 16.449 1.00 32.13 O ATOM 1096 NE2 GLN A 69 -20.361 -1.840 17.070 1.00 52.51 N ATOM 0 H GLN A 69 -15.785 1.015 14.264 1.00 71.42 H new ATOM 0 HA GLN A 69 -17.815 -0.923 13.857 1.00 45.12 H new ATOM 0 HB2 GLN A 69 -17.044 -0.097 16.068 1.00 65.35 H new ATOM 0 HB3 GLN A 69 -17.671 1.498 15.699 1.00 65.35 H new ATOM 0 HG2 GLN A 69 -19.427 0.684 16.927 1.00 44.03 H new ATOM 0 HG3 GLN A 69 -19.946 0.184 15.330 1.00 44.03 H new ATOM 0 HE21 GLN A 69 -21.159 -1.208 17.137 1.00 52.51 H new ATOM 0 HE22 GLN A 69 -20.443 -2.802 17.400 1.00 52.51 H new ATOM 1105 N THR A 70 -18.515 2.196 13.039 1.00 30.31 N ATOM 1106 CA THR A 70 -19.456 3.031 12.305 1.00 41.23 C ATOM 1107 C THR A 70 -18.760 3.782 11.174 1.00 61.23 C ATOM 1108 O THR A 70 -18.977 4.978 10.985 1.00 34.20 O ATOM 1109 CB THR A 70 -20.145 4.050 13.233 1.00 74.33 C ATOM 1110 OG1 THR A 70 -19.190 5.006 13.705 1.00 53.53 O ATOM 1111 CG2 THR A 70 -20.795 3.349 14.416 1.00 45.55 C ATOM 0 H THR A 70 -17.684 2.687 13.370 1.00 30.31 H new ATOM 0 HA THR A 70 -20.209 2.364 11.886 1.00 41.23 H new ATOM 0 HB THR A 70 -20.920 4.562 12.663 1.00 74.33 H new ATOM 0 HG1 THR A 70 -18.828 5.509 12.946 1.00 53.53 H new ATOM 0 HG21 THR A 70 -21.275 4.088 15.058 1.00 45.55 H new ATOM 0 HG22 THR A 70 -21.542 2.642 14.055 1.00 45.55 H new ATOM 0 HG23 THR A 70 -20.034 2.814 14.985 1.00 45.55 H new ATOM 1119 N GLY A 71 -17.923 3.069 10.426 1.00 3.24 N ATOM 1120 CA GLY A 71 -17.209 3.685 9.322 1.00 45.01 C ATOM 1121 C GLY A 71 -17.793 3.312 7.974 1.00 12.24 C ATOM 1122 O GLY A 71 -18.143 2.155 7.739 1.00 75.13 O ATOM 0 H GLY A 71 -17.727 2.078 10.564 1.00 3.24 H new ATOM 0 HA2 GLY A 71 -17.233 4.769 9.438 1.00 45.01 H new ATOM 0 HA3 GLY A 71 -16.162 3.383 9.357 1.00 45.01 H new ATOM 1126 N SER A 72 -17.899 4.294 7.084 1.00 43.43 N ATOM 1127 CA SER A 72 -18.449 4.064 5.754 1.00 41.02 C ATOM 1128 C SER A 72 -17.554 3.127 4.950 1.00 12.30 C ATOM 1129 O SER A 72 -16.486 2.725 5.411 1.00 42.02 O ATOM 1130 CB SER A 72 -18.615 5.391 5.011 1.00 51.14 C ATOM 1131 OG SER A 72 -17.450 5.710 4.270 1.00 43.04 O ATOM 0 H SER A 72 -17.611 5.256 7.261 1.00 43.43 H new ATOM 0 HA SER A 72 -19.426 3.595 5.869 1.00 41.02 H new ATOM 0 HB2 SER A 72 -19.472 5.331 4.340 1.00 51.14 H new ATOM 0 HB3 SER A 72 -18.825 6.187 5.725 1.00 51.14 H new ATOM 0 HG SER A 72 -17.582 6.561 3.803 1.00 43.04 H new ATOM 1137 N GLU A 73 -17.998 2.783 3.745 1.00 74.40 N ATOM 1138 CA GLU A 73 -17.237 1.893 2.877 1.00 34.55 C ATOM 1139 C GLU A 73 -15.858 2.473 2.575 1.00 51.44 C ATOM 1140 O GLU A 73 -14.929 1.745 2.228 1.00 31.30 O ATOM 1141 CB GLU A 73 -17.994 1.647 1.571 1.00 24.11 C ATOM 1142 CG GLU A 73 -18.985 0.497 1.650 1.00 1.34 C ATOM 1143 CD GLU A 73 -18.305 -0.853 1.765 1.00 71.15 C ATOM 1144 OE1 GLU A 73 -17.619 -1.255 0.803 1.00 73.03 O ATOM 1145 OE2 GLU A 73 -18.460 -1.507 2.818 1.00 11.32 O ATOM 0 H GLU A 73 -18.880 3.107 3.348 1.00 74.40 H new ATOM 0 HA GLU A 73 -17.107 0.945 3.398 1.00 34.55 H new ATOM 0 HB2 GLU A 73 -18.527 2.556 1.293 1.00 24.11 H new ATOM 0 HB3 GLU A 73 -17.276 1.443 0.777 1.00 24.11 H new ATOM 0 HG2 GLU A 73 -19.639 0.644 2.509 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -19.618 0.506 0.763 1.00 1.34 H new ATOM 1152 N GLU A 74 -15.734 3.789 2.713 1.00 10.45 N ATOM 1153 CA GLU A 74 -14.469 4.469 2.453 1.00 62.33 C ATOM 1154 C GLU A 74 -13.429 4.102 3.508 1.00 64.23 C ATOM 1155 O GLU A 74 -12.327 3.660 3.183 1.00 52.33 O ATOM 1156 CB GLU A 74 -14.674 5.985 2.428 1.00 21.32 C ATOM 1157 CG GLU A 74 -14.953 6.538 1.041 1.00 72.21 C ATOM 1158 CD GLU A 74 -16.371 6.268 0.578 1.00 32.21 C ATOM 1159 OE1 GLU A 74 -16.705 5.087 0.351 1.00 20.43 O ATOM 1160 OE2 GLU A 74 -17.146 7.238 0.444 1.00 21.50 O ATOM 0 H GLU A 74 -16.493 4.406 3.003 1.00 10.45 H new ATOM 0 HA GLU A 74 -14.104 4.144 1.479 1.00 62.33 H new ATOM 0 HB2 GLU A 74 -15.504 6.242 3.086 1.00 21.32 H new ATOM 0 HB3 GLU A 74 -13.785 6.470 2.831 1.00 21.32 H new ATOM 0 HG2 GLU A 74 -14.773 7.613 1.040 1.00 72.21 H new ATOM 0 HG3 GLU A 74 -14.253 6.097 0.331 1.00 72.21 H new ATOM 1167 N LEU A 75 -13.788 4.290 4.774 1.00 64.41 N ATOM 1168 CA LEU A 75 -12.887 3.980 5.878 1.00 41.11 C ATOM 1169 C LEU A 75 -12.543 2.495 5.900 1.00 73.42 C ATOM 1170 O LEU A 75 -11.392 2.117 6.124 1.00 12.04 O ATOM 1171 CB LEU A 75 -13.521 4.387 7.209 1.00 52.22 C ATOM 1172 CG LEU A 75 -12.610 4.319 8.436 1.00 2.52 C ATOM 1173 CD1 LEU A 75 -12.891 5.483 9.374 1.00 14.51 C ATOM 1174 CD2 LEU A 75 -12.788 2.993 9.160 1.00 1.43 C ATOM 0 H LEU A 75 -14.696 4.655 5.061 1.00 64.41 H new ATOM 0 HA LEU A 75 -11.966 4.545 5.732 1.00 41.11 H new ATOM 0 HB2 LEU A 75 -13.893 5.407 7.114 1.00 52.22 H new ATOM 0 HB3 LEU A 75 -14.385 3.747 7.387 1.00 52.22 H new ATOM 0 HG LEU A 75 -11.575 4.390 8.101 1.00 2.52 H new ATOM 0 HD11 LEU A 75 -12.234 5.418 10.241 1.00 14.51 H new ATOM 0 HD12 LEU A 75 -12.711 6.423 8.852 1.00 14.51 H new ATOM 0 HD13 LEU A 75 -13.930 5.443 9.702 1.00 14.51 H new ATOM 0 HD21 LEU A 75 -12.132 2.963 10.030 1.00 1.43 H new ATOM 0 HD22 LEU A 75 -13.824 2.891 9.483 1.00 1.43 H new ATOM 0 HD23 LEU A 75 -12.536 2.174 8.487 1.00 1.43 H new ATOM 1186 N ARG A 76 -13.547 1.656 5.664 1.00 75.31 N ATOM 1187 CA ARG A 76 -13.349 0.211 5.656 1.00 42.50 C ATOM 1188 C ARG A 76 -12.281 -0.185 4.642 1.00 72.35 C ATOM 1189 O ARG A 76 -11.421 -1.018 4.926 1.00 75.32 O ATOM 1190 CB ARG A 76 -14.664 -0.502 5.334 1.00 20.04 C ATOM 1191 CG ARG A 76 -14.963 -1.673 6.255 1.00 73.10 C ATOM 1192 CD ARG A 76 -15.451 -2.885 5.475 1.00 61.02 C ATOM 1193 NE ARG A 76 -15.074 -4.139 6.122 1.00 1.23 N ATOM 1194 CZ ARG A 76 -15.588 -5.319 5.792 1.00 13.11 C ATOM 1195 NH1 ARG A 76 -16.494 -5.405 4.828 1.00 25.23 N ATOM 1196 NH2 ARG A 76 -15.194 -6.416 6.426 1.00 11.23 N ATOM 0 H ARG A 76 -14.505 1.952 5.476 1.00 75.31 H new ATOM 0 HA ARG A 76 -13.013 -0.091 6.648 1.00 42.50 H new ATOM 0 HB2 ARG A 76 -15.482 0.216 5.396 1.00 20.04 H new ATOM 0 HB3 ARG A 76 -14.631 -0.859 4.305 1.00 20.04 H new ATOM 0 HG2 ARG A 76 -14.065 -1.936 6.814 1.00 73.10 H new ATOM 0 HG3 ARG A 76 -15.718 -1.380 6.984 1.00 73.10 H new ATOM 0 HD2 ARG A 76 -16.536 -2.840 5.376 1.00 61.02 H new ATOM 0 HD3 ARG A 76 -15.037 -2.858 4.467 1.00 61.02 H new ATOM 0 HE ARG A 76 -14.379 -4.107 6.867 1.00 1.23 H new ATOM 0 HH11 ARG A 76 -16.798 -4.564 4.338 1.00 25.23 H new ATOM 0 HH12 ARG A 76 -16.887 -6.312 4.577 1.00 25.23 H new ATOM 0 HH21 ARG A 76 -14.496 -6.354 7.167 1.00 11.23 H new ATOM 0 HH22 ARG A 76 -15.589 -7.321 6.172 1.00 11.23 H new ATOM 1210 N SER A 77 -12.343 0.416 3.459 1.00 33.22 N ATOM 1211 CA SER A 77 -11.383 0.123 2.400 1.00 73.30 C ATOM 1212 C SER A 77 -9.968 0.500 2.830 1.00 61.23 C ATOM 1213 O SER A 77 -8.999 -0.175 2.480 1.00 25.10 O ATOM 1214 CB SER A 77 -11.757 0.873 1.120 1.00 64.35 C ATOM 1215 OG SER A 77 -12.574 0.074 0.283 1.00 3.14 O ATOM 0 H SER A 77 -13.048 1.109 3.209 1.00 33.22 H new ATOM 0 HA SER A 77 -11.411 -0.949 2.205 1.00 73.30 H new ATOM 0 HB2 SER A 77 -12.282 1.794 1.374 1.00 64.35 H new ATOM 0 HB3 SER A 77 -10.852 1.159 0.584 1.00 64.35 H new ATOM 0 HG SER A 77 -12.801 0.576 -0.528 1.00 3.14 H new ATOM 1221 N LEU A 78 -9.857 1.583 3.590 1.00 43.50 N ATOM 1222 CA LEU A 78 -8.561 2.053 4.068 1.00 44.14 C ATOM 1223 C LEU A 78 -7.935 1.042 5.023 1.00 32.44 C ATOM 1224 O LEU A 78 -6.809 0.590 4.812 1.00 60.10 O ATOM 1225 CB LEU A 78 -8.714 3.405 4.769 1.00 34.22 C ATOM 1226 CG LEU A 78 -8.267 4.629 3.968 1.00 74.13 C ATOM 1227 CD1 LEU A 78 -6.825 4.469 3.509 1.00 44.33 C ATOM 1228 CD2 LEU A 78 -9.186 4.852 2.776 1.00 61.21 C ATOM 0 H LEU A 78 -10.648 2.153 3.889 1.00 43.50 H new ATOM 0 HA LEU A 78 -7.903 2.169 3.207 1.00 44.14 H new ATOM 0 HB2 LEU A 78 -9.762 3.535 5.040 1.00 34.22 H new ATOM 0 HB3 LEU A 78 -8.146 3.376 5.699 1.00 34.22 H new ATOM 0 HG LEU A 78 -8.326 5.504 4.615 1.00 74.13 H new ATOM 0 HD11 LEU A 78 -6.524 5.349 2.941 1.00 44.33 H new ATOM 0 HD12 LEU A 78 -6.177 4.359 4.378 1.00 44.33 H new ATOM 0 HD13 LEU A 78 -6.740 3.584 2.879 1.00 44.33 H new ATOM 0 HD21 LEU A 78 -8.852 5.727 2.218 1.00 61.21 H new ATOM 0 HD22 LEU A 78 -9.160 3.976 2.127 1.00 61.21 H new ATOM 0 HD23 LEU A 78 -10.205 5.013 3.127 1.00 61.21 H new ATOM 1240 N TYR A 79 -8.671 0.689 6.071 1.00 0.13 N ATOM 1241 CA TYR A 79 -8.187 -0.270 7.057 1.00 53.43 C ATOM 1242 C TYR A 79 -7.698 -1.547 6.381 1.00 54.03 C ATOM 1243 O TYR A 79 -6.649 -2.085 6.733 1.00 63.14 O ATOM 1244 CB TYR A 79 -9.292 -0.602 8.061 1.00 1.30 C ATOM 1245 CG TYR A 79 -8.775 -1.157 9.369 1.00 14.23 C ATOM 1246 CD1 TYR A 79 -8.119 -0.340 10.282 1.00 72.11 C ATOM 1247 CD2 TYR A 79 -8.942 -2.497 9.692 1.00 32.44 C ATOM 1248 CE1 TYR A 79 -7.644 -0.843 11.477 1.00 74.44 C ATOM 1249 CE2 TYR A 79 -8.472 -3.009 10.885 1.00 63.12 C ATOM 1250 CZ TYR A 79 -7.823 -2.178 11.775 1.00 62.40 C ATOM 1251 OH TYR A 79 -7.353 -2.684 12.965 1.00 53.33 O ATOM 0 H TYR A 79 -9.605 1.053 6.260 1.00 0.13 H new ATOM 0 HA TYR A 79 -7.349 0.183 7.586 1.00 53.43 H new ATOM 0 HB2 TYR A 79 -9.871 0.299 8.262 1.00 1.30 H new ATOM 0 HB3 TYR A 79 -9.973 -1.325 7.613 1.00 1.30 H new ATOM 0 HD1 TYR A 79 -7.978 0.706 10.053 1.00 72.11 H new ATOM 0 HD2 TYR A 79 -9.449 -3.151 8.997 1.00 32.44 H new ATOM 0 HE1 TYR A 79 -7.135 -0.195 12.175 1.00 74.44 H new ATOM 0 HE2 TYR A 79 -8.612 -4.054 11.120 1.00 63.12 H new ATOM 0 HH TYR A 79 -7.562 -3.640 13.019 1.00 53.33 H new ATOM 1261 N ASN A 80 -8.466 -2.025 5.408 1.00 51.30 N ATOM 1262 CA ASN A 80 -8.111 -3.239 4.682 1.00 24.43 C ATOM 1263 C ASN A 80 -6.856 -3.024 3.843 1.00 1.03 C ATOM 1264 O ASN A 80 -6.145 -3.975 3.512 1.00 43.24 O ATOM 1265 CB ASN A 80 -9.270 -3.677 3.784 1.00 43.00 C ATOM 1266 CG ASN A 80 -10.218 -4.630 4.486 1.00 11.12 C ATOM 1267 OD1 ASN A 80 -10.582 -4.421 5.643 1.00 50.41 O ATOM 1268 ND2 ASN A 80 -10.623 -5.684 3.787 1.00 34.22 N ATOM 0 H ASN A 80 -9.338 -1.591 5.104 1.00 51.30 H new ATOM 0 HA ASN A 80 -7.908 -4.023 5.411 1.00 24.43 H new ATOM 0 HB2 ASN A 80 -9.822 -2.797 3.454 1.00 43.00 H new ATOM 0 HB3 ASN A 80 -8.872 -4.158 2.890 1.00 43.00 H new ATOM 0 HD21 ASN A 80 -11.261 -6.360 4.207 1.00 34.22 H new ATOM 0 HD22 ASN A 80 -10.296 -5.818 2.830 1.00 34.22 H new ATOM 1275 N THR A 81 -6.588 -1.768 3.500 1.00 33.14 N ATOM 1276 CA THR A 81 -5.419 -1.428 2.699 1.00 53.33 C ATOM 1277 C THR A 81 -4.190 -1.225 3.578 1.00 54.42 C ATOM 1278 O THR A 81 -3.260 -2.032 3.557 1.00 23.14 O ATOM 1279 CB THR A 81 -5.658 -0.152 1.870 1.00 1.14 C ATOM 1280 OG1 THR A 81 -6.832 -0.305 1.064 1.00 45.22 O ATOM 1281 CG2 THR A 81 -4.461 0.148 0.979 1.00 70.13 C ATOM 0 H THR A 81 -7.165 -0.969 3.765 1.00 33.14 H new ATOM 0 HA THR A 81 -5.245 -2.265 2.023 1.00 53.33 H new ATOM 0 HB THR A 81 -5.796 0.682 2.559 1.00 1.14 H new ATOM 0 HG1 THR A 81 -7.592 0.126 1.508 1.00 45.22 H new ATOM 0 HG21 THR A 81 -4.654 1.053 0.404 1.00 70.13 H new ATOM 0 HG22 THR A 81 -3.575 0.292 1.597 1.00 70.13 H new ATOM 0 HG23 THR A 81 -4.296 -0.687 0.298 1.00 70.13 H new ATOM 1289 N ILE A 82 -4.192 -0.143 4.350 1.00 22.12 N ATOM 1290 CA ILE A 82 -3.077 0.163 5.238 1.00 72.21 C ATOM 1291 C ILE A 82 -2.620 -1.079 5.995 1.00 32.41 C ATOM 1292 O ILE A 82 -1.425 -1.280 6.213 1.00 62.42 O ATOM 1293 CB ILE A 82 -3.451 1.260 6.252 1.00 61.23 C ATOM 1294 CG1 ILE A 82 -3.868 2.539 5.524 1.00 25.25 C ATOM 1295 CG2 ILE A 82 -2.284 1.535 7.188 1.00 53.32 C ATOM 1296 CD1 ILE A 82 -4.873 3.371 6.290 1.00 15.43 C ATOM 0 H ILE A 82 -4.953 0.536 4.378 1.00 22.12 H new ATOM 0 HA ILE A 82 -2.262 0.522 4.610 1.00 72.21 H new ATOM 0 HB ILE A 82 -4.295 0.911 6.846 1.00 61.23 H new ATOM 0 HG12 ILE A 82 -2.981 3.143 5.330 1.00 25.25 H new ATOM 0 HG13 ILE A 82 -4.291 2.274 4.555 1.00 25.25 H new ATOM 0 HG21 ILE A 82 -2.563 2.313 7.899 1.00 53.32 H new ATOM 0 HG22 ILE A 82 -2.029 0.624 7.729 1.00 53.32 H new ATOM 0 HG23 ILE A 82 -1.423 1.866 6.608 1.00 53.32 H new ATOM 0 HD11 ILE A 82 -5.122 4.262 5.714 1.00 15.43 H new ATOM 0 HD12 ILE A 82 -5.776 2.785 6.461 1.00 15.43 H new ATOM 0 HD13 ILE A 82 -4.446 3.667 7.248 1.00 15.43 H new ATOM 1308 N ALA A 83 -3.578 -1.910 6.392 1.00 21.34 N ATOM 1309 CA ALA A 83 -3.273 -3.135 7.120 1.00 71.11 C ATOM 1310 C ALA A 83 -2.291 -4.006 6.344 1.00 24.44 C ATOM 1311 O ALA A 83 -1.335 -4.537 6.910 1.00 11.43 O ATOM 1312 CB ALA A 83 -4.551 -3.908 7.411 1.00 11.34 C ATOM 0 H ALA A 83 -4.572 -1.757 6.222 1.00 21.34 H new ATOM 0 HA ALA A 83 -2.805 -2.859 8.065 1.00 71.11 H new ATOM 0 HB1 ALA A 83 -4.308 -4.821 7.955 1.00 11.34 H new ATOM 0 HB2 ALA A 83 -5.219 -3.293 8.014 1.00 11.34 H new ATOM 0 HB3 ALA A 83 -5.042 -4.165 6.473 1.00 11.34 H new ATOM 1318 N VAL A 84 -2.534 -4.150 5.045 1.00 1.50 N ATOM 1319 CA VAL A 84 -1.670 -4.957 4.191 1.00 43.22 C ATOM 1320 C VAL A 84 -0.266 -4.368 4.117 1.00 3.31 C ATOM 1321 O VAL A 84 0.718 -5.038 4.434 1.00 65.11 O ATOM 1322 CB VAL A 84 -2.242 -5.073 2.765 1.00 61.52 C ATOM 1323 CG1 VAL A 84 -1.244 -5.759 1.844 1.00 53.33 C ATOM 1324 CG2 VAL A 84 -3.566 -5.822 2.782 1.00 70.21 C ATOM 0 H VAL A 84 -3.322 -3.719 4.561 1.00 1.50 H new ATOM 0 HA VAL A 84 -1.621 -5.950 4.637 1.00 43.22 H new ATOM 0 HB VAL A 84 -2.423 -4.069 2.382 1.00 61.52 H new ATOM 0 HG11 VAL A 84 -1.665 -5.832 0.841 1.00 53.33 H new ATOM 0 HG12 VAL A 84 -0.322 -5.178 1.809 1.00 53.33 H new ATOM 0 HG13 VAL A 84 -1.029 -6.759 2.221 1.00 53.33 H new ATOM 0 HG21 VAL A 84 -3.956 -5.895 1.767 1.00 70.21 H new ATOM 0 HG22 VAL A 84 -3.412 -6.823 3.184 1.00 70.21 H new ATOM 0 HG23 VAL A 84 -4.280 -5.285 3.407 1.00 70.21 H new ATOM 1334 N LEU A 85 -0.179 -3.111 3.697 1.00 54.12 N ATOM 1335 CA LEU A 85 1.107 -2.430 3.581 1.00 42.14 C ATOM 1336 C LEU A 85 1.930 -2.602 4.854 1.00 41.12 C ATOM 1337 O LEU A 85 3.114 -2.934 4.800 1.00 21.04 O ATOM 1338 CB LEU A 85 0.894 -0.943 3.295 1.00 72.01 C ATOM 1339 CG LEU A 85 2.158 -0.121 3.040 1.00 53.53 C ATOM 1340 CD1 LEU A 85 2.890 -0.635 1.811 1.00 22.23 C ATOM 1341 CD2 LEU A 85 1.813 1.352 2.880 1.00 54.35 C ATOM 0 H LEU A 85 -0.983 -2.542 3.431 1.00 54.12 H new ATOM 0 HA LEU A 85 1.655 -2.878 2.752 1.00 42.14 H new ATOM 0 HB2 LEU A 85 0.243 -0.850 2.426 1.00 72.01 H new ATOM 0 HB3 LEU A 85 0.363 -0.503 4.139 1.00 72.01 H new ATOM 0 HG LEU A 85 2.817 -0.228 3.901 1.00 53.53 H new ATOM 0 HD11 LEU A 85 3.787 -0.038 1.645 1.00 22.23 H new ATOM 0 HD12 LEU A 85 3.171 -1.677 1.964 1.00 22.23 H new ATOM 0 HD13 LEU A 85 2.238 -0.559 0.941 1.00 22.23 H new ATOM 0 HD21 LEU A 85 2.725 1.922 2.699 1.00 54.35 H new ATOM 0 HD22 LEU A 85 1.134 1.477 2.037 1.00 54.35 H new ATOM 0 HD23 LEU A 85 1.333 1.714 3.789 1.00 54.35 H new ATOM 1353 N TYR A 86 1.294 -2.376 5.998 1.00 72.13 N ATOM 1354 CA TYR A 86 1.968 -2.506 7.285 1.00 44.23 C ATOM 1355 C TYR A 86 2.766 -3.804 7.354 1.00 62.53 C ATOM 1356 O TYR A 86 3.912 -3.819 7.805 1.00 2.41 O ATOM 1357 CB TYR A 86 0.949 -2.458 8.425 1.00 14.13 C ATOM 1358 CG TYR A 86 1.556 -2.694 9.790 1.00 50.30 C ATOM 1359 CD1 TYR A 86 2.114 -1.647 10.513 1.00 64.31 C ATOM 1360 CD2 TYR A 86 1.570 -3.962 10.356 1.00 30.11 C ATOM 1361 CE1 TYR A 86 2.669 -1.857 11.761 1.00 34.45 C ATOM 1362 CE2 TYR A 86 2.123 -4.182 11.603 1.00 33.24 C ATOM 1363 CZ TYR A 86 2.672 -3.126 12.301 1.00 32.44 C ATOM 1364 OH TYR A 86 3.224 -3.340 13.544 1.00 4.54 O ATOM 0 H TYR A 86 0.313 -2.102 6.061 1.00 72.13 H new ATOM 0 HA TYR A 86 2.660 -1.670 7.390 1.00 44.23 H new ATOM 0 HB2 TYR A 86 0.455 -1.486 8.419 1.00 14.13 H new ATOM 0 HB3 TYR A 86 0.179 -3.208 8.245 1.00 14.13 H new ATOM 0 HD1 TYR A 86 2.114 -0.652 10.093 1.00 64.31 H new ATOM 0 HD2 TYR A 86 1.141 -4.791 9.812 1.00 30.11 H new ATOM 0 HE1 TYR A 86 3.098 -1.032 12.310 1.00 34.45 H new ATOM 0 HE2 TYR A 86 2.125 -5.175 12.029 1.00 33.24 H new ATOM 0 HH TYR A 86 3.144 -4.288 13.779 1.00 4.54 H new ATOM 1374 N CYS A 87 2.152 -4.892 6.904 1.00 64.54 N ATOM 1375 CA CYS A 87 2.803 -6.197 6.915 1.00 22.34 C ATOM 1376 C CYS A 87 3.941 -6.245 5.901 1.00 13.44 C ATOM 1377 O CYS A 87 4.984 -6.849 6.151 1.00 31.34 O ATOM 1378 CB CYS A 87 1.787 -7.300 6.610 1.00 15.42 C ATOM 1379 SG CYS A 87 1.003 -8.007 8.077 1.00 42.25 S ATOM 0 H CYS A 87 1.204 -4.897 6.527 1.00 64.54 H new ATOM 0 HA CYS A 87 3.218 -6.360 7.910 1.00 22.34 H new ATOM 0 HB2 CYS A 87 1.014 -6.896 5.957 1.00 15.42 H new ATOM 0 HB3 CYS A 87 2.286 -8.097 6.058 1.00 15.42 H new ATOM 0 HG CYS A 87 -0.282 -7.824 8.013 1.00 42.25 H new ATOM 1385 N VAL A 88 3.734 -5.603 4.756 1.00 30.34 N ATOM 1386 CA VAL A 88 4.743 -5.572 3.703 1.00 52.10 C ATOM 1387 C VAL A 88 6.045 -4.961 4.209 1.00 31.03 C ATOM 1388 O VAL A 88 7.132 -5.327 3.758 1.00 53.01 O ATOM 1389 CB VAL A 88 4.255 -4.773 2.480 1.00 61.52 C ATOM 1390 CG1 VAL A 88 5.314 -4.767 1.389 1.00 31.33 C ATOM 1391 CG2 VAL A 88 2.945 -5.345 1.960 1.00 1.31 C ATOM 0 H VAL A 88 2.877 -5.097 4.533 1.00 30.34 H new ATOM 0 HA VAL A 88 4.921 -6.605 3.404 1.00 52.10 H new ATOM 0 HB VAL A 88 4.079 -3.742 2.787 1.00 61.52 H new ATOM 0 HG11 VAL A 88 4.951 -4.198 0.533 1.00 31.33 H new ATOM 0 HG12 VAL A 88 6.226 -4.308 1.770 1.00 31.33 H new ATOM 0 HG13 VAL A 88 5.525 -5.791 1.081 1.00 31.33 H new ATOM 0 HG21 VAL A 88 2.614 -4.769 1.096 1.00 1.31 H new ATOM 0 HG22 VAL A 88 3.092 -6.385 1.668 1.00 1.31 H new ATOM 0 HG23 VAL A 88 2.188 -5.292 2.743 1.00 1.31 H new ATOM 1401 N HIS A 89 5.930 -4.028 5.147 1.00 42.43 N ATOM 1402 CA HIS A 89 7.098 -3.365 5.716 1.00 52.24 C ATOM 1403 C HIS A 89 7.567 -4.081 6.980 1.00 65.32 C ATOM 1404 O HIS A 89 8.728 -3.891 7.339 1.00 63.21 O ATOM 1405 CB HIS A 89 6.778 -1.904 6.035 1.00 11.30 C ATOM 1406 CG HIS A 89 6.487 -1.077 4.820 1.00 52.53 C ATOM 1407 ND1 HIS A 89 7.355 -0.973 3.755 1.00 1.02 N ATOM 1408 CD2 HIS A 89 5.416 -0.311 4.507 1.00 23.41 C ATOM 1409 CE1 HIS A 89 6.830 -0.179 2.838 1.00 72.21 C ATOM 1410 NE2 HIS A 89 5.653 0.234 3.270 1.00 1.43 N ATOM 0 H HIS A 89 5.039 -3.713 5.530 1.00 42.43 H new ATOM 0 HA HIS A 89 7.900 -3.401 4.978 1.00 52.24 H new ATOM 0 HB2 HIS A 89 5.919 -1.866 6.705 1.00 11.30 H new ATOM 0 HB3 HIS A 89 7.619 -1.465 6.571 1.00 11.30 H new ATOM 0 HD1 HIS A 89 8.261 -1.436 3.685 1.00 1.02 H new ATOM 0 HD2 HIS A 89 4.538 -0.157 5.117 1.00 23.41 H new ATOM 0 HE1 HIS A 89 7.286 0.087 1.896 1.00 72.21 H new ATOM 1419 N GLN A 90 6.725 -4.872 7.639 1.00 1.13 N ATOM 1420 CA GLN A 90 7.127 -5.576 8.850 1.00 53.41 C ATOM 1421 C GLN A 90 7.688 -6.954 8.517 1.00 23.52 C ATOM 1422 O GLN A 90 7.580 -7.887 9.313 1.00 71.45 O ATOM 1423 CB GLN A 90 5.940 -5.711 9.806 1.00 14.53 C ATOM 1424 CG GLN A 90 6.342 -5.761 11.271 1.00 22.25 C ATOM 1425 CD GLN A 90 6.978 -4.470 11.746 1.00 3.21 C ATOM 1426 OE1 GLN A 90 6.903 -3.442 11.073 1.00 45.33 O ATOM 1427 NE2 GLN A 90 7.610 -4.516 12.913 1.00 11.23 N ATOM 0 H GLN A 90 5.760 -5.041 7.354 1.00 1.13 H new ATOM 0 HA GLN A 90 7.910 -4.993 9.336 1.00 53.41 H new ATOM 0 HB2 GLN A 90 5.263 -4.871 9.652 1.00 14.53 H new ATOM 0 HB3 GLN A 90 5.386 -6.617 9.559 1.00 14.53 H new ATOM 0 HG2 GLN A 90 5.462 -5.973 11.878 1.00 22.25 H new ATOM 0 HG3 GLN A 90 7.041 -6.584 11.424 1.00 22.25 H new ATOM 0 HE21 GLN A 90 7.648 -5.389 13.438 1.00 11.23 H new ATOM 0 HE22 GLN A 90 8.057 -3.678 13.284 1.00 11.23 H new ATOM 1436 N ARG A 91 8.284 -7.077 7.336 1.00 42.12 N ATOM 1437 CA ARG A 91 8.859 -8.342 6.897 1.00 71.34 C ATOM 1438 C ARG A 91 7.796 -9.436 6.852 1.00 73.00 C ATOM 1439 O ARG A 91 8.027 -10.558 7.303 1.00 21.21 O ATOM 1440 CB ARG A 91 9.997 -8.761 7.832 1.00 30.13 C ATOM 1441 CG ARG A 91 11.132 -9.482 7.123 1.00 40.44 C ATOM 1442 CD ARG A 91 12.244 -8.521 6.732 1.00 41.12 C ATOM 1443 NE ARG A 91 13.180 -9.123 5.786 1.00 70.44 N ATOM 1444 CZ ARG A 91 14.092 -10.026 6.130 1.00 21.22 C ATOM 1445 NH1 ARG A 91 14.190 -10.430 7.388 1.00 71.43 N ATOM 1446 NH2 ARG A 91 14.909 -10.528 5.211 1.00 65.12 N ATOM 0 H ARG A 91 8.381 -6.315 6.665 1.00 42.12 H new ATOM 0 HA ARG A 91 9.256 -8.202 5.891 1.00 71.34 H new ATOM 0 HB2 ARG A 91 10.394 -7.875 8.328 1.00 30.13 H new ATOM 0 HB3 ARG A 91 9.596 -9.409 8.611 1.00 30.13 H new ATOM 0 HG2 ARG A 91 11.533 -10.259 7.773 1.00 40.44 H new ATOM 0 HG3 ARG A 91 10.749 -9.979 6.232 1.00 40.44 H new ATOM 0 HD2 ARG A 91 11.809 -7.624 6.291 1.00 41.12 H new ATOM 0 HD3 ARG A 91 12.783 -8.208 7.626 1.00 41.12 H new ATOM 0 HE ARG A 91 13.131 -8.835 4.809 1.00 70.44 H new ATOM 0 HH11 ARG A 91 13.564 -10.048 8.097 1.00 71.43 H new ATOM 0 HH12 ARG A 91 14.892 -11.123 7.648 1.00 71.43 H new ATOM 0 HH21 ARG A 91 14.836 -10.220 4.241 1.00 65.12 H new ATOM 0 HH22 ARG A 91 15.609 -11.221 5.475 1.00 65.12 H new ATOM 1460 N ILE A 92 6.632 -9.100 6.306 1.00 42.32 N ATOM 1461 CA ILE A 92 5.535 -10.052 6.202 1.00 63.41 C ATOM 1462 C ILE A 92 4.993 -10.114 4.777 1.00 40.33 C ATOM 1463 O ILE A 92 4.765 -9.083 4.145 1.00 4.54 O ATOM 1464 CB ILE A 92 4.384 -9.694 7.162 1.00 74.40 C ATOM 1465 CG1 ILE A 92 4.918 -9.509 8.584 1.00 21.23 C ATOM 1466 CG2 ILE A 92 3.312 -10.772 7.129 1.00 30.44 C ATOM 1467 CD1 ILE A 92 3.845 -9.154 9.590 1.00 4.01 C ATOM 0 H ILE A 92 6.425 -8.175 5.929 1.00 42.32 H new ATOM 0 HA ILE A 92 5.937 -11.027 6.478 1.00 63.41 H new ATOM 0 HB ILE A 92 3.936 -8.755 6.836 1.00 74.40 H new ATOM 0 HG12 ILE A 92 5.412 -10.428 8.900 1.00 21.23 H new ATOM 0 HG13 ILE A 92 5.675 -8.725 8.580 1.00 21.23 H new ATOM 0 HG21 ILE A 92 2.506 -10.505 7.812 1.00 30.44 H new ATOM 0 HG22 ILE A 92 2.916 -10.860 6.117 1.00 30.44 H new ATOM 0 HG23 ILE A 92 3.745 -11.725 7.434 1.00 30.44 H new ATOM 0 HD11 ILE A 92 4.295 -9.038 10.576 1.00 4.01 H new ATOM 0 HD12 ILE A 92 3.367 -8.219 9.297 1.00 4.01 H new ATOM 0 HD13 ILE A 92 3.100 -9.949 9.622 1.00 4.01 H new ATOM 1479 N ASP A 93 4.787 -11.328 4.280 1.00 34.12 N ATOM 1480 CA ASP A 93 4.269 -11.523 2.931 1.00 21.03 C ATOM 1481 C ASP A 93 2.847 -12.076 2.970 1.00 14.12 C ATOM 1482 O ASP A 93 2.499 -12.976 2.205 1.00 1.22 O ATOM 1483 CB ASP A 93 5.177 -12.471 2.145 1.00 64.13 C ATOM 1484 CG ASP A 93 4.969 -12.364 0.648 1.00 22.11 C ATOM 1485 OD1 ASP A 93 3.922 -11.825 0.232 1.00 0.13 O ATOM 1486 OD2 ASP A 93 5.851 -12.821 -0.109 1.00 54.51 O ATOM 0 H ASP A 93 4.971 -12.192 4.791 1.00 34.12 H new ATOM 0 HA ASP A 93 4.250 -10.554 2.432 1.00 21.03 H new ATOM 0 HB2 ASP A 93 6.218 -12.251 2.381 1.00 64.13 H new ATOM 0 HB3 ASP A 93 4.988 -13.497 2.463 1.00 64.13 H new ATOM 1491 N VAL A 94 2.031 -11.532 3.866 1.00 24.21 N ATOM 1492 CA VAL A 94 0.647 -11.969 4.005 1.00 63.54 C ATOM 1493 C VAL A 94 0.159 -12.657 2.735 1.00 24.20 C ATOM 1494 O VAL A 94 0.281 -12.117 1.636 1.00 55.44 O ATOM 1495 CB VAL A 94 -0.286 -10.788 4.328 1.00 3.21 C ATOM 1496 CG1 VAL A 94 0.090 -10.159 5.660 1.00 42.42 C ATOM 1497 CG2 VAL A 94 -0.244 -9.755 3.211 1.00 34.31 C ATOM 0 H VAL A 94 2.304 -10.787 4.507 1.00 24.21 H new ATOM 0 HA VAL A 94 0.620 -12.678 4.832 1.00 63.54 H new ATOM 0 HB VAL A 94 -1.306 -11.165 4.406 1.00 3.21 H new ATOM 0 HG11 VAL A 94 -0.581 -9.326 5.871 1.00 42.42 H new ATOM 0 HG12 VAL A 94 0.004 -10.904 6.451 1.00 42.42 H new ATOM 0 HG13 VAL A 94 1.117 -9.796 5.614 1.00 42.42 H new ATOM 0 HG21 VAL A 94 -0.909 -8.927 3.456 1.00 34.31 H new ATOM 0 HG22 VAL A 94 0.774 -9.382 3.099 1.00 34.31 H new ATOM 0 HG23 VAL A 94 -0.566 -10.216 2.277 1.00 34.31 H new ATOM 1507 N LYS A 95 -0.398 -13.853 2.893 1.00 74.44 N ATOM 1508 CA LYS A 95 -0.907 -14.617 1.761 1.00 3.05 C ATOM 1509 C LYS A 95 -2.178 -13.981 1.204 1.00 73.43 C ATOM 1510 O LYS A 95 -2.557 -14.229 0.059 1.00 64.03 O ATOM 1511 CB LYS A 95 -1.188 -16.062 2.178 1.00 30.13 C ATOM 1512 CG LYS A 95 -0.190 -17.061 1.617 1.00 24.02 C ATOM 1513 CD LYS A 95 1.161 -16.945 2.301 1.00 51.14 C ATOM 1514 CE LYS A 95 2.256 -17.623 1.492 1.00 41.21 C ATOM 1515 NZ LYS A 95 3.569 -17.587 2.196 1.00 44.11 N ATOM 0 H LYS A 95 -0.508 -14.314 3.796 1.00 74.44 H new ATOM 0 HA LYS A 95 -0.146 -14.613 0.980 1.00 3.05 H new ATOM 0 HB2 LYS A 95 -1.181 -16.125 3.266 1.00 30.13 H new ATOM 0 HB3 LYS A 95 -2.190 -16.338 1.849 1.00 30.13 H new ATOM 0 HG2 LYS A 95 -0.577 -18.072 1.743 1.00 24.02 H new ATOM 0 HG3 LYS A 95 -0.072 -16.896 0.546 1.00 24.02 H new ATOM 0 HD2 LYS A 95 1.410 -15.893 2.442 1.00 51.14 H new ATOM 0 HD3 LYS A 95 1.108 -17.395 3.292 1.00 51.14 H new ATOM 0 HE2 LYS A 95 1.976 -18.658 1.298 1.00 41.21 H new ATOM 0 HE3 LYS A 95 2.349 -17.131 0.524 1.00 41.21 H new ATOM 0 HZ1 LYS A 95 4.289 -18.059 1.612 1.00 44.11 H new ATOM 0 HZ2 LYS A 95 3.849 -16.599 2.359 1.00 44.11 H new ATOM 0 HZ3 LYS A 95 3.487 -18.078 3.109 1.00 44.11 H new ATOM 1529 N ASP A 96 -2.830 -13.162 2.021 1.00 62.31 N ATOM 1530 CA ASP A 96 -4.058 -12.490 1.610 1.00 15.32 C ATOM 1531 C ASP A 96 -4.429 -11.386 2.596 1.00 71.55 C ATOM 1532 O ASP A 96 -3.821 -11.258 3.659 1.00 61.21 O ATOM 1533 CB ASP A 96 -5.203 -13.496 1.496 1.00 72.14 C ATOM 1534 CG ASP A 96 -5.164 -14.544 2.592 1.00 41.31 C ATOM 1535 OD1 ASP A 96 -5.443 -14.193 3.758 1.00 53.34 O ATOM 1536 OD2 ASP A 96 -4.857 -15.714 2.283 1.00 2.23 O ATOM 0 H ASP A 96 -2.529 -12.947 2.972 1.00 62.31 H new ATOM 0 HA ASP A 96 -3.886 -12.038 0.633 1.00 15.32 H new ATOM 0 HB2 ASP A 96 -6.154 -12.966 1.538 1.00 72.14 H new ATOM 0 HB3 ASP A 96 -5.155 -13.988 0.525 1.00 72.14 H new ATOM 1541 N THR A 97 -5.432 -10.591 2.236 1.00 72.11 N ATOM 1542 CA THR A 97 -5.883 -9.497 3.088 1.00 21.43 C ATOM 1543 C THR A 97 -6.122 -9.976 4.515 1.00 40.34 C ATOM 1544 O THR A 97 -5.592 -9.406 5.469 1.00 12.40 O ATOM 1545 CB THR A 97 -7.178 -8.863 2.547 1.00 4.32 C ATOM 1546 OG1 THR A 97 -6.922 -8.214 1.296 1.00 74.12 O ATOM 1547 CG2 THR A 97 -7.743 -7.858 3.540 1.00 1.45 C ATOM 0 H THR A 97 -5.947 -10.684 1.361 1.00 72.11 H new ATOM 0 HA THR A 97 -5.092 -8.747 3.087 1.00 21.43 H new ATOM 0 HB THR A 97 -7.911 -9.656 2.399 1.00 4.32 H new ATOM 0 HG1 THR A 97 -7.673 -8.371 0.686 1.00 74.12 H new ATOM 0 HG21 THR A 97 -8.657 -7.423 3.137 1.00 1.45 H new ATOM 0 HG22 THR A 97 -7.965 -8.362 4.481 1.00 1.45 H new ATOM 0 HG23 THR A 97 -7.012 -7.069 3.715 1.00 1.45 H new ATOM 1555 N LYS A 98 -6.924 -11.026 4.657 1.00 31.15 N ATOM 1556 CA LYS A 98 -7.232 -11.582 5.969 1.00 31.22 C ATOM 1557 C LYS A 98 -5.954 -11.881 6.747 1.00 3.02 C ATOM 1558 O LYS A 98 -5.797 -11.447 7.887 1.00 73.42 O ATOM 1559 CB LYS A 98 -8.062 -12.859 5.821 1.00 21.13 C ATOM 1560 CG LYS A 98 -8.421 -13.509 7.147 1.00 13.23 C ATOM 1561 CD LYS A 98 -9.925 -13.610 7.329 1.00 65.04 C ATOM 1562 CE LYS A 98 -10.528 -12.276 7.744 1.00 64.51 C ATOM 1563 NZ LYS A 98 -11.801 -11.995 7.024 1.00 63.55 N ATOM 0 H LYS A 98 -7.373 -11.509 3.879 1.00 31.15 H new ATOM 0 HA LYS A 98 -7.809 -10.842 6.524 1.00 31.22 H new ATOM 0 HB2 LYS A 98 -8.979 -12.625 5.280 1.00 21.13 H new ATOM 0 HB3 LYS A 98 -7.507 -13.574 5.214 1.00 21.13 H new ATOM 0 HG2 LYS A 98 -7.980 -14.505 7.196 1.00 13.23 H new ATOM 0 HG3 LYS A 98 -7.993 -12.930 7.965 1.00 13.23 H new ATOM 0 HD2 LYS A 98 -10.383 -13.944 6.398 1.00 65.04 H new ATOM 0 HD3 LYS A 98 -10.151 -14.363 8.084 1.00 65.04 H new ATOM 0 HE2 LYS A 98 -10.711 -12.279 8.818 1.00 64.51 H new ATOM 0 HE3 LYS A 98 -9.814 -11.477 7.545 1.00 64.51 H new ATOM 0 HZ1 LYS A 98 -12.180 -11.078 7.334 1.00 63.55 H new ATOM 0 HZ2 LYS A 98 -11.622 -11.967 6.000 1.00 63.55 H new ATOM 0 HZ3 LYS A 98 -12.491 -12.744 7.234 1.00 63.55 H new ATOM 1577 N GLU A 99 -5.045 -12.623 6.122 1.00 25.34 N ATOM 1578 CA GLU A 99 -3.782 -12.979 6.757 1.00 41.10 C ATOM 1579 C GLU A 99 -3.162 -11.768 7.449 1.00 43.12 C ATOM 1580 O GLU A 99 -2.624 -11.878 8.550 1.00 73.02 O ATOM 1581 CB GLU A 99 -2.807 -13.543 5.722 1.00 74.23 C ATOM 1582 CG GLU A 99 -1.615 -14.259 6.336 1.00 2.31 C ATOM 1583 CD GLU A 99 -2.022 -15.268 7.392 1.00 62.11 C ATOM 1584 OE1 GLU A 99 -3.043 -15.959 7.192 1.00 55.14 O ATOM 1585 OE2 GLU A 99 -1.318 -15.367 8.419 1.00 33.30 O ATOM 0 H GLU A 99 -5.160 -12.989 5.177 1.00 25.34 H new ATOM 0 HA GLU A 99 -3.984 -13.742 7.509 1.00 41.10 H new ATOM 0 HB2 GLU A 99 -3.341 -14.236 5.072 1.00 74.23 H new ATOM 0 HB3 GLU A 99 -2.447 -12.729 5.093 1.00 74.23 H new ATOM 0 HG2 GLU A 99 -1.056 -14.767 5.550 1.00 2.31 H new ATOM 0 HG3 GLU A 99 -0.944 -13.524 6.780 1.00 2.31 H new ATOM 1592 N ALA A 100 -3.243 -10.614 6.796 1.00 31.23 N ATOM 1593 CA ALA A 100 -2.692 -9.383 7.348 1.00 32.52 C ATOM 1594 C ALA A 100 -3.328 -9.053 8.694 1.00 14.22 C ATOM 1595 O ALA A 100 -2.631 -8.750 9.663 1.00 53.14 O ATOM 1596 CB ALA A 100 -2.888 -8.233 6.372 1.00 51.42 C ATOM 0 H ALA A 100 -3.685 -10.506 5.883 1.00 31.23 H new ATOM 0 HA ALA A 100 -1.624 -9.531 7.507 1.00 32.52 H new ATOM 0 HB1 ALA A 100 -2.472 -7.320 6.797 1.00 51.42 H new ATOM 0 HB2 ALA A 100 -2.381 -8.461 5.435 1.00 51.42 H new ATOM 0 HB3 ALA A 100 -3.952 -8.093 6.184 1.00 51.42 H new ATOM 1602 N LEU A 101 -4.653 -9.111 8.746 1.00 63.02 N ATOM 1603 CA LEU A 101 -5.383 -8.816 9.975 1.00 23.45 C ATOM 1604 C LEU A 101 -4.934 -9.733 11.108 1.00 22.22 C ATOM 1605 O LEU A 101 -4.433 -9.270 12.133 1.00 11.35 O ATOM 1606 CB LEU A 101 -6.888 -8.970 9.745 1.00 41.23 C ATOM 1607 CG LEU A 101 -7.705 -7.677 9.760 1.00 12.13 C ATOM 1608 CD1 LEU A 101 -7.542 -6.958 11.089 1.00 62.44 C ATOM 1609 CD2 LEU A 101 -7.291 -6.773 8.608 1.00 11.54 C ATOM 0 H LEU A 101 -5.244 -9.359 7.953 1.00 63.02 H new ATOM 0 HA LEU A 101 -5.168 -7.786 10.259 1.00 23.45 H new ATOM 0 HB2 LEU A 101 -7.040 -9.461 8.784 1.00 41.23 H new ATOM 0 HB3 LEU A 101 -7.286 -9.637 10.510 1.00 41.23 H new ATOM 0 HG LEU A 101 -8.757 -7.933 9.636 1.00 12.13 H new ATOM 0 HD11 LEU A 101 -8.130 -6.041 11.081 1.00 62.44 H new ATOM 0 HD12 LEU A 101 -7.887 -7.603 11.897 1.00 62.44 H new ATOM 0 HD13 LEU A 101 -6.491 -6.714 11.244 1.00 62.44 H new ATOM 0 HD21 LEU A 101 -7.882 -5.857 8.633 1.00 11.54 H new ATOM 0 HD22 LEU A 101 -6.234 -6.525 8.702 1.00 11.54 H new ATOM 0 HD23 LEU A 101 -7.460 -7.288 7.662 1.00 11.54 H new ATOM 1621 N ASP A 102 -5.115 -11.035 10.917 1.00 2.42 N ATOM 1622 CA ASP A 102 -4.725 -12.017 11.922 1.00 22.34 C ATOM 1623 C ASP A 102 -3.230 -11.935 12.210 1.00 30.13 C ATOM 1624 O ASP A 102 -2.751 -12.462 13.214 1.00 53.30 O ATOM 1625 CB ASP A 102 -5.092 -13.427 11.456 1.00 53.22 C ATOM 1626 CG ASP A 102 -6.281 -13.993 12.206 1.00 71.54 C ATOM 1627 OD1 ASP A 102 -6.198 -14.114 13.447 1.00 74.20 O ATOM 1628 OD2 ASP A 102 -7.295 -14.316 11.554 1.00 4.22 O ATOM 0 H ASP A 102 -5.529 -11.435 10.075 1.00 2.42 H new ATOM 0 HA ASP A 102 -5.266 -11.795 12.842 1.00 22.34 H new ATOM 0 HB2 ASP A 102 -5.315 -13.407 10.389 1.00 53.22 H new ATOM 0 HB3 ASP A 102 -4.234 -14.086 11.590 1.00 53.22 H new ATOM 1633 N LYS A 103 -2.497 -11.273 11.322 1.00 55.31 N ATOM 1634 CA LYS A 103 -1.055 -11.121 11.480 1.00 2.44 C ATOM 1635 C LYS A 103 -0.729 -9.953 12.406 1.00 31.43 C ATOM 1636 O LYS A 103 -0.035 -10.121 13.410 1.00 23.25 O ATOM 1637 CB LYS A 103 -0.392 -10.905 10.117 1.00 23.43 C ATOM 1638 CG LYS A 103 0.098 -12.188 9.469 1.00 44.05 C ATOM 1639 CD LYS A 103 1.302 -12.756 10.200 1.00 74.34 C ATOM 1640 CE LYS A 103 1.237 -14.274 10.287 1.00 31.44 C ATOM 1641 NZ LYS A 103 1.323 -14.754 11.694 1.00 44.31 N ATOM 0 H LYS A 103 -2.878 -10.833 10.484 1.00 55.31 H new ATOM 0 HA LYS A 103 -0.665 -12.036 11.927 1.00 2.44 H new ATOM 0 HB2 LYS A 103 -1.103 -10.419 9.449 1.00 23.43 H new ATOM 0 HB3 LYS A 103 0.450 -10.223 10.236 1.00 23.43 H new ATOM 0 HG2 LYS A 103 -0.706 -12.924 9.463 1.00 44.05 H new ATOM 0 HG3 LYS A 103 0.360 -11.994 8.429 1.00 44.05 H new ATOM 0 HD2 LYS A 103 2.215 -12.459 9.685 1.00 74.34 H new ATOM 0 HD3 LYS A 103 1.351 -12.335 11.204 1.00 74.34 H new ATOM 0 HE2 LYS A 103 0.306 -14.624 9.840 1.00 31.44 H new ATOM 0 HE3 LYS A 103 2.051 -14.706 9.706 1.00 31.44 H new ATOM 0 HZ1 LYS A 103 1.275 -15.793 11.710 1.00 44.31 H new ATOM 0 HZ2 LYS A 103 2.223 -14.442 12.113 1.00 44.31 H new ATOM 0 HZ3 LYS A 103 0.531 -14.363 12.243 1.00 44.31 H new