USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 65 GLN : amide:sc= -0.324 X(o=-0.83,f=-0.66) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.503 USER MOD Set 2.1: A 29 TYR OH : rot 173:sc= 1.1 USER MOD Set 2.2: A 97 THR OG1 : rot 110:sc= 0.443 USER MOD Single : A 9 SER OG : rot 180:sc= -0.184 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.406 X(o=-0.41,f=-0.01) 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= -0.235 K(o=-0.23,f=-6.3!) USER MOD Single : A 38 SER OG : rot 81:sc= 0.239 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.563 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.331 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -170:sc= -0.278 USER MOD Single : A 77 SER OG : rot 50:sc= 0.994 USER MOD Single : A 80 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.6!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.221 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -1.17 USER MOD Single : A 89 HIS : no HD1:sc= -1.75! C(o=-1.1!,f=-5.7!) USER MOD Single : A 90 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.2) 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 VAL A 7 4.472 -5.718 -13.774 1.00 72.35 N ATOM 64 CA VAL A 7 3.319 -5.353 -14.590 1.00 20.42 C ATOM 65 C VAL A 7 2.431 -4.347 -13.868 1.00 74.43 C ATOM 66 O VAL A 7 2.350 -3.181 -14.257 1.00 32.25 O ATOM 67 CB VAL A 7 2.480 -6.590 -14.961 1.00 53.10 C ATOM 68 CG1 VAL A 7 1.289 -6.190 -15.820 1.00 35.43 C ATOM 69 CG2 VAL A 7 3.338 -7.623 -15.675 1.00 21.23 C ATOM 0 HA VAL A 7 3.707 -4.900 -15.502 1.00 20.42 H new ATOM 0 HB VAL A 7 2.102 -7.038 -14.042 1.00 53.10 H new ATOM 0 HG11 VAL A 7 0.708 -7.077 -16.072 1.00 35.43 H new ATOM 0 HG12 VAL A 7 0.661 -5.490 -15.269 1.00 35.43 H new ATOM 0 HG13 VAL A 7 1.643 -5.716 -16.735 1.00 35.43 H new ATOM 0 HG21 VAL A 7 2.728 -8.490 -15.929 1.00 21.23 H new ATOM 0 HG22 VAL A 7 3.748 -7.188 -16.586 1.00 21.23 H new ATOM 0 HG23 VAL A 7 4.154 -7.933 -15.022 1.00 21.23 H new ATOM 79 N LEU A 8 1.765 -4.805 -12.814 1.00 72.22 N ATOM 80 CA LEU A 8 0.881 -3.945 -12.034 1.00 41.31 C ATOM 81 C LEU A 8 1.622 -3.332 -10.850 1.00 23.20 C ATOM 82 O LEU A 8 2.584 -3.909 -10.342 1.00 51.21 O ATOM 83 CB LEU A 8 -0.328 -4.739 -11.538 1.00 53.40 C ATOM 84 CG LEU A 8 -1.380 -5.089 -12.591 1.00 71.02 C ATOM 85 CD1 LEU A 8 -2.442 -6.005 -12.002 1.00 11.22 C ATOM 86 CD2 LEU A 8 -2.016 -3.824 -13.151 1.00 32.53 C ATOM 0 H LEU A 8 1.820 -5.767 -12.479 1.00 72.22 H new ATOM 0 HA LEU A 8 0.537 -3.138 -12.681 1.00 41.31 H new ATOM 0 HB2 LEU A 8 0.030 -5.666 -11.090 1.00 53.40 H new ATOM 0 HB3 LEU A 8 -0.812 -4.168 -10.746 1.00 53.40 H new ATOM 0 HG LEU A 8 -0.887 -5.617 -13.407 1.00 71.02 H new ATOM 0 HD11 LEU A 8 -3.182 -6.243 -12.766 1.00 11.22 H new ATOM 0 HD12 LEU A 8 -1.975 -6.925 -11.650 1.00 11.22 H new ATOM 0 HD13 LEU A 8 -2.932 -5.504 -11.167 1.00 11.22 H new ATOM 0 HD21 LEU A 8 -2.762 -4.092 -13.899 1.00 32.53 H new ATOM 0 HD22 LEU A 8 -2.494 -3.269 -12.344 1.00 32.53 H new ATOM 0 HD23 LEU A 8 -1.247 -3.204 -13.612 1.00 32.53 H new ATOM 98 N SER A 9 1.166 -2.162 -10.416 1.00 1.34 N ATOM 99 CA SER A 9 1.788 -1.469 -9.292 1.00 55.02 C ATOM 100 C SER A 9 1.065 -1.794 -7.988 1.00 33.33 C ATOM 101 O SER A 9 0.182 -2.650 -7.950 1.00 43.31 O ATOM 102 CB SER A 9 1.780 0.042 -9.530 1.00 20.22 C ATOM 103 OG SER A 9 0.646 0.646 -8.933 1.00 0.31 O ATOM 0 H SER A 9 0.369 -1.674 -10.824 1.00 1.34 H new ATOM 0 HA SER A 9 2.820 -1.811 -9.211 1.00 55.02 H new ATOM 0 HB2 SER A 9 2.689 0.483 -9.120 1.00 20.22 H new ATOM 0 HB3 SER A 9 1.782 0.245 -10.601 1.00 20.22 H new ATOM 0 HG SER A 9 0.665 1.612 -9.098 1.00 0.31 H new ATOM 109 N GLY A 10 1.449 -1.104 -6.919 1.00 11.55 N ATOM 110 CA GLY A 10 0.830 -1.332 -5.626 1.00 55.34 C ATOM 111 C GLY A 10 -0.656 -1.036 -5.636 1.00 53.54 C ATOM 112 O GLY A 10 -1.463 -1.857 -5.201 1.00 40.41 O ATOM 0 H GLY A 10 2.178 -0.391 -6.925 1.00 11.55 H new ATOM 0 HA2 GLY A 10 0.989 -2.368 -5.328 1.00 55.34 H new ATOM 0 HA3 GLY A 10 1.317 -0.707 -4.878 1.00 55.34 H new ATOM 116 N GLY A 11 -1.021 0.143 -6.133 1.00 34.32 N ATOM 117 CA GLY A 11 -2.420 0.524 -6.187 1.00 31.11 C ATOM 118 C GLY A 11 -3.228 -0.360 -7.116 1.00 33.52 C ATOM 119 O GLY A 11 -4.384 -0.674 -6.834 1.00 21.02 O ATOM 0 H GLY A 11 -0.373 0.840 -6.499 1.00 34.32 H new ATOM 0 HA2 GLY A 11 -2.845 0.476 -5.184 1.00 31.11 H new ATOM 0 HA3 GLY A 11 -2.498 1.560 -6.517 1.00 31.11 H new ATOM 123 N GLU A 12 -2.618 -0.761 -8.226 1.00 64.54 N ATOM 124 CA GLU A 12 -3.290 -1.613 -9.201 1.00 65.25 C ATOM 125 C GLU A 12 -3.449 -3.033 -8.665 1.00 2.21 C ATOM 126 O GLU A 12 -4.472 -3.681 -8.889 1.00 21.31 O ATOM 127 CB GLU A 12 -2.507 -1.637 -10.516 1.00 53.14 C ATOM 128 CG GLU A 12 -2.045 -0.264 -10.974 1.00 24.01 C ATOM 129 CD GLU A 12 -1.284 -0.312 -12.286 1.00 53.32 C ATOM 130 OE1 GLU A 12 -1.936 -0.282 -13.351 1.00 1.01 O ATOM 131 OE2 GLU A 12 -0.038 -0.381 -12.246 1.00 51.45 O ATOM 0 H GLU A 12 -1.661 -0.510 -8.473 1.00 64.54 H new ATOM 0 HA GLU A 12 -4.282 -1.199 -9.384 1.00 65.25 H new ATOM 0 HB2 GLU A 12 -1.637 -2.284 -10.400 1.00 53.14 H new ATOM 0 HB3 GLU A 12 -3.131 -2.079 -11.293 1.00 53.14 H new ATOM 0 HG2 GLU A 12 -2.911 0.389 -11.084 1.00 24.01 H new ATOM 0 HG3 GLU A 12 -1.410 0.177 -10.206 1.00 24.01 H new ATOM 138 N LEU A 13 -2.431 -3.509 -7.957 1.00 24.03 N ATOM 139 CA LEU A 13 -2.456 -4.852 -7.390 1.00 14.23 C ATOM 140 C LEU A 13 -3.669 -5.036 -6.482 1.00 31.43 C ATOM 141 O LEU A 13 -4.269 -6.110 -6.442 1.00 31.20 O ATOM 142 CB LEU A 13 -1.171 -5.119 -6.603 1.00 60.23 C ATOM 143 CG LEU A 13 -0.892 -6.580 -6.250 1.00 31.41 C ATOM 144 CD1 LEU A 13 -0.498 -7.364 -7.493 1.00 1.22 C ATOM 145 CD2 LEU A 13 0.197 -6.674 -5.191 1.00 71.55 C ATOM 0 H LEU A 13 -1.578 -2.985 -7.762 1.00 24.03 H new ATOM 0 HA LEU A 13 -2.527 -5.566 -8.211 1.00 14.23 H new ATOM 0 HB2 LEU A 13 -0.329 -4.739 -7.181 1.00 60.23 H new ATOM 0 HB3 LEU A 13 -1.209 -4.543 -5.678 1.00 60.23 H new ATOM 0 HG LEU A 13 -1.805 -7.016 -5.844 1.00 31.41 H new ATOM 0 HD11 LEU A 13 -0.303 -8.402 -7.222 1.00 1.22 H new ATOM 0 HD12 LEU A 13 -1.309 -7.325 -8.220 1.00 1.22 H new ATOM 0 HD13 LEU A 13 0.401 -6.928 -7.928 1.00 1.22 H new ATOM 0 HD21 LEU A 13 0.383 -7.721 -4.952 1.00 71.55 H new ATOM 0 HD22 LEU A 13 1.113 -6.220 -5.570 1.00 71.55 H new ATOM 0 HD23 LEU A 13 -0.124 -6.148 -4.292 1.00 71.55 H new ATOM 157 N ASP A 14 -4.024 -3.981 -5.757 1.00 34.13 N ATOM 158 CA ASP A 14 -5.167 -4.026 -4.852 1.00 55.21 C ATOM 159 C ASP A 14 -6.447 -4.361 -5.610 1.00 74.43 C ATOM 160 O ASP A 14 -7.111 -5.357 -5.319 1.00 72.55 O ATOM 161 CB ASP A 14 -5.324 -2.687 -4.129 1.00 21.42 C ATOM 162 CG ASP A 14 -5.652 -2.858 -2.659 1.00 34.44 C ATOM 163 OD1 ASP A 14 -6.337 -3.844 -2.314 1.00 72.50 O ATOM 164 OD2 ASP A 14 -5.222 -2.008 -1.853 1.00 14.23 O ATOM 0 H ASP A 14 -3.537 -3.085 -5.778 1.00 34.13 H new ATOM 0 HA ASP A 14 -4.986 -4.809 -4.116 1.00 55.21 H new ATOM 0 HB2 ASP A 14 -4.402 -2.114 -4.228 1.00 21.42 H new ATOM 0 HB3 ASP A 14 -6.113 -2.108 -4.609 1.00 21.42 H new ATOM 169 N LYS A 15 -6.790 -3.524 -6.583 1.00 33.30 N ATOM 170 CA LYS A 15 -7.991 -3.732 -7.384 1.00 43.21 C ATOM 171 C LYS A 15 -7.891 -5.023 -8.190 1.00 3.22 C ATOM 172 O LYS A 15 -8.861 -5.773 -8.298 1.00 34.43 O ATOM 173 CB LYS A 15 -8.211 -2.545 -8.325 1.00 62.55 C ATOM 174 CG LYS A 15 -9.295 -1.590 -7.857 1.00 71.53 C ATOM 175 CD LYS A 15 -9.032 -0.172 -8.335 1.00 52.01 C ATOM 176 CE LYS A 15 -9.103 0.824 -7.187 1.00 60.23 C ATOM 177 NZ LYS A 15 -7.910 0.734 -6.301 1.00 23.01 N ATOM 0 H LYS A 15 -6.253 -2.695 -6.836 1.00 33.30 H new ATOM 0 HA LYS A 15 -8.841 -3.814 -6.707 1.00 43.21 H new ATOM 0 HB2 LYS A 15 -7.275 -1.996 -8.429 1.00 62.55 H new ATOM 0 HB3 LYS A 15 -8.472 -2.920 -9.315 1.00 62.55 H new ATOM 0 HG2 LYS A 15 -10.263 -1.927 -8.228 1.00 71.53 H new ATOM 0 HG3 LYS A 15 -9.349 -1.604 -6.768 1.00 71.53 H new ATOM 0 HD2 LYS A 15 -8.049 -0.121 -8.803 1.00 52.01 H new ATOM 0 HD3 LYS A 15 -9.762 0.098 -9.098 1.00 52.01 H new ATOM 0 HE2 LYS A 15 -9.183 1.835 -7.587 1.00 60.23 H new ATOM 0 HE3 LYS A 15 -10.004 0.641 -6.602 1.00 60.23 H new ATOM 0 HZ1 LYS A 15 -7.996 1.428 -5.531 1.00 23.01 H new ATOM 0 HZ2 LYS A 15 -7.848 -0.223 -5.899 1.00 23.01 H new ATOM 0 HZ3 LYS A 15 -7.052 0.934 -6.853 1.00 23.01 H new ATOM 191 N TRP A 16 -6.715 -5.275 -8.752 1.00 4.45 N ATOM 192 CA TRP A 16 -6.489 -6.476 -9.547 1.00 74.12 C ATOM 193 C TRP A 16 -6.909 -7.724 -8.778 1.00 50.20 C ATOM 194 O TRP A 16 -7.617 -8.580 -9.307 1.00 61.00 O ATOM 195 CB TRP A 16 -5.016 -6.580 -9.945 1.00 51.42 C ATOM 196 CG TRP A 16 -4.678 -7.863 -10.642 1.00 45.14 C ATOM 197 CD1 TRP A 16 -4.133 -8.982 -10.081 1.00 23.33 C ATOM 198 CD2 TRP A 16 -4.862 -8.157 -12.031 1.00 63.43 C ATOM 199 NE1 TRP A 16 -3.966 -9.955 -11.037 1.00 42.24 N ATOM 200 CE2 TRP A 16 -4.407 -9.474 -12.243 1.00 14.13 C ATOM 201 CE3 TRP A 16 -5.369 -7.438 -13.118 1.00 32.24 C ATOM 202 CZ2 TRP A 16 -4.443 -10.083 -13.494 1.00 2.33 C ATOM 203 CZ3 TRP A 16 -5.403 -8.043 -14.359 1.00 71.43 C ATOM 204 CH2 TRP A 16 -4.943 -9.355 -14.539 1.00 74.23 C ATOM 0 H TRP A 16 -5.903 -4.663 -8.672 1.00 4.45 H new ATOM 0 HA TRP A 16 -7.097 -6.404 -10.449 1.00 74.12 H new ATOM 0 HB2 TRP A 16 -4.763 -5.743 -10.596 1.00 51.42 H new ATOM 0 HB3 TRP A 16 -4.398 -6.486 -9.052 1.00 51.42 H new ATOM 0 HD1 TRP A 16 -3.871 -9.087 -9.038 1.00 23.33 H new ATOM 0 HE1 TRP A 16 -3.577 -10.884 -10.876 1.00 42.24 H new ATOM 0 HE3 TRP A 16 -5.728 -6.427 -12.989 1.00 32.24 H new ATOM 0 HZ2 TRP A 16 -4.089 -11.094 -13.635 1.00 2.33 H new ATOM 0 HZ3 TRP A 16 -5.791 -7.496 -15.206 1.00 71.43 H new ATOM 0 HH2 TRP A 16 -4.984 -9.800 -15.522 1.00 74.23 H new ATOM 215 N GLU A 17 -6.470 -7.820 -7.527 1.00 10.23 N ATOM 216 CA GLU A 17 -6.801 -8.965 -6.687 1.00 33.34 C ATOM 217 C GLU A 17 -8.305 -9.040 -6.438 1.00 43.11 C ATOM 218 O GLU A 17 -8.849 -10.113 -6.176 1.00 51.45 O ATOM 219 CB GLU A 17 -6.056 -8.880 -5.353 1.00 5.30 C ATOM 220 CG GLU A 17 -4.635 -9.417 -5.414 1.00 54.44 C ATOM 221 CD GLU A 17 -4.115 -9.844 -4.056 1.00 34.40 C ATOM 222 OE1 GLU A 17 -3.973 -8.970 -3.174 1.00 75.54 O ATOM 223 OE2 GLU A 17 -3.849 -11.051 -3.874 1.00 43.21 O ATOM 0 H GLU A 17 -5.885 -7.119 -7.073 1.00 10.23 H new ATOM 0 HA GLU A 17 -6.491 -9.869 -7.211 1.00 33.34 H new ATOM 0 HB2 GLU A 17 -6.029 -7.840 -5.027 1.00 5.30 H new ATOM 0 HB3 GLU A 17 -6.613 -9.436 -4.599 1.00 5.30 H new ATOM 0 HG2 GLU A 17 -4.601 -10.267 -6.096 1.00 54.44 H new ATOM 0 HG3 GLU A 17 -3.978 -8.651 -5.826 1.00 54.44 H new ATOM 230 N LYS A 18 -8.970 -7.893 -6.522 1.00 61.23 N ATOM 231 CA LYS A 18 -10.410 -7.826 -6.307 1.00 41.35 C ATOM 232 C LYS A 18 -11.167 -8.322 -7.535 1.00 51.32 C ATOM 233 O LYS A 18 -12.128 -9.084 -7.418 1.00 1.00 O ATOM 234 CB LYS A 18 -10.832 -6.392 -5.981 1.00 15.32 C ATOM 235 CG LYS A 18 -11.827 -6.295 -4.837 1.00 72.42 C ATOM 236 CD LYS A 18 -11.129 -6.305 -3.488 1.00 13.04 C ATOM 237 CE LYS A 18 -12.109 -6.058 -2.351 1.00 4.41 C ATOM 238 NZ LYS A 18 -12.419 -7.307 -1.604 1.00 33.43 N ATOM 0 H LYS A 18 -8.534 -6.996 -6.738 1.00 61.23 H new ATOM 0 HA LYS A 18 -10.656 -8.472 -5.464 1.00 41.35 H new ATOM 0 HB2 LYS A 18 -9.945 -5.809 -5.730 1.00 15.32 H new ATOM 0 HB3 LYS A 18 -11.269 -5.940 -6.871 1.00 15.32 H new ATOM 0 HG2 LYS A 18 -12.411 -5.380 -4.938 1.00 72.42 H new ATOM 0 HG3 LYS A 18 -12.527 -7.128 -4.891 1.00 72.42 H new ATOM 0 HD2 LYS A 18 -10.634 -7.265 -3.341 1.00 13.04 H new ATOM 0 HD3 LYS A 18 -10.353 -5.540 -3.473 1.00 13.04 H new ATOM 0 HE2 LYS A 18 -11.692 -5.320 -1.666 1.00 4.41 H new ATOM 0 HE3 LYS A 18 -13.031 -5.636 -2.752 1.00 4.41 H new ATOM 0 HZ1 LYS A 18 -13.090 -7.096 -0.838 1.00 33.43 H new ATOM 0 HZ2 LYS A 18 -12.841 -8.003 -2.251 1.00 33.43 H new ATOM 0 HZ3 LYS A 18 -11.543 -7.696 -1.200 1.00 33.43 H new ATOM 252 N ILE A 19 -10.727 -7.887 -8.712 1.00 54.23 N ATOM 253 CA ILE A 19 -11.363 -8.290 -9.960 1.00 11.41 C ATOM 254 C ILE A 19 -11.467 -9.808 -10.059 1.00 55.11 C ATOM 255 O ILE A 19 -10.504 -10.526 -9.790 1.00 51.40 O ATOM 256 CB ILE A 19 -10.589 -7.760 -11.182 1.00 0.31 C ATOM 257 CG1 ILE A 19 -10.488 -6.234 -11.126 1.00 73.13 C ATOM 258 CG2 ILE A 19 -11.264 -8.205 -12.471 1.00 15.11 C ATOM 259 CD1 ILE A 19 -9.416 -5.665 -12.029 1.00 61.44 C ATOM 0 H ILE A 19 -9.934 -7.256 -8.827 1.00 54.23 H new ATOM 0 HA ILE A 19 -12.364 -7.859 -9.958 1.00 11.41 H new ATOM 0 HB ILE A 19 -9.581 -8.173 -11.162 1.00 0.31 H new ATOM 0 HG12 ILE A 19 -11.451 -5.804 -11.403 1.00 73.13 H new ATOM 0 HG13 ILE A 19 -10.286 -5.929 -10.099 1.00 73.13 H new ATOM 0 HG21 ILE A 19 -10.705 -7.823 -13.325 1.00 15.11 H new ATOM 0 HG22 ILE A 19 -11.289 -9.294 -12.512 1.00 15.11 H new ATOM 0 HG23 ILE A 19 -12.282 -7.818 -12.501 1.00 15.11 H new ATOM 0 HD11 ILE A 19 -9.402 -4.579 -11.938 1.00 61.44 H new ATOM 0 HD12 ILE A 19 -8.445 -6.066 -11.739 1.00 61.44 H new ATOM 0 HD13 ILE A 19 -9.628 -5.939 -13.062 1.00 61.44 H new ATOM 271 N ARG A 20 -12.643 -10.291 -10.449 1.00 1.34 N ATOM 272 CA ARG A 20 -12.874 -11.724 -10.584 1.00 50.50 C ATOM 273 C ARG A 20 -12.769 -12.156 -12.043 1.00 31.12 C ATOM 274 O ARG A 20 -13.045 -11.375 -12.954 1.00 25.21 O ATOM 275 CB ARG A 20 -14.251 -12.095 -10.029 1.00 13.12 C ATOM 276 CG ARG A 20 -14.339 -12.009 -8.514 1.00 53.34 C ATOM 277 CD ARG A 20 -15.782 -11.894 -8.046 1.00 0.12 C ATOM 278 NE ARG A 20 -16.174 -10.506 -7.817 1.00 53.31 N ATOM 279 CZ ARG A 20 -15.861 -9.826 -6.720 1.00 40.42 C ATOM 280 NH1 ARG A 20 -15.155 -10.401 -5.757 1.00 74.14 N ATOM 281 NH2 ARG A 20 -16.255 -8.566 -6.585 1.00 5.35 N ATOM 0 H ARG A 20 -13.450 -9.710 -10.677 1.00 1.34 H new ATOM 0 HA ARG A 20 -12.107 -12.246 -10.012 1.00 50.50 H new ATOM 0 HB2 ARG A 20 -15.000 -11.435 -10.466 1.00 13.12 H new ATOM 0 HB3 ARG A 20 -14.499 -13.109 -10.342 1.00 13.12 H new ATOM 0 HG2 ARG A 20 -13.881 -12.893 -8.071 1.00 53.34 H new ATOM 0 HG3 ARG A 20 -13.772 -11.147 -8.164 1.00 53.34 H new ATOM 0 HD2 ARG A 20 -16.441 -12.339 -8.791 1.00 0.12 H new ATOM 0 HD3 ARG A 20 -15.911 -12.464 -7.126 1.00 0.12 H new ATOM 0 HE ARG A 20 -16.718 -10.033 -8.539 1.00 53.31 H new ATOM 0 HH11 ARG A 20 -14.850 -11.369 -5.857 1.00 74.14 H new ATOM 0 HH12 ARG A 20 -14.917 -9.875 -4.916 1.00 74.14 H new ATOM 0 HH21 ARG A 20 -16.798 -8.120 -7.324 1.00 5.35 H new ATOM 0 HH22 ARG A 20 -16.015 -8.044 -5.742 1.00 5.35 H new ATOM 295 N LEU A 21 -12.369 -13.405 -12.258 1.00 4.34 N ATOM 296 CA LEU A 21 -12.226 -13.941 -13.607 1.00 40.40 C ATOM 297 C LEU A 21 -13.548 -13.867 -14.365 1.00 32.44 C ATOM 298 O LEU A 21 -13.571 -13.621 -15.571 1.00 33.54 O ATOM 299 CB LEU A 21 -11.737 -15.390 -13.552 1.00 1.31 C ATOM 300 CG LEU A 21 -10.273 -15.589 -13.159 1.00 70.21 C ATOM 301 CD1 LEU A 21 -9.920 -17.068 -13.145 1.00 62.33 C ATOM 302 CD2 LEU A 21 -9.358 -14.829 -14.109 1.00 52.11 C ATOM 0 H LEU A 21 -12.138 -14.065 -11.515 1.00 4.34 H new ATOM 0 HA LEU A 21 -11.490 -13.335 -14.136 1.00 40.40 H new ATOM 0 HB2 LEU A 21 -12.360 -15.936 -12.844 1.00 1.31 H new ATOM 0 HB3 LEU A 21 -11.895 -15.843 -14.531 1.00 1.31 H new ATOM 0 HG LEU A 21 -10.130 -15.193 -12.154 1.00 70.21 H new ATOM 0 HD11 LEU A 21 -8.874 -17.190 -12.863 1.00 62.33 H new ATOM 0 HD12 LEU A 21 -10.553 -17.586 -12.424 1.00 62.33 H new ATOM 0 HD13 LEU A 21 -10.080 -17.490 -14.137 1.00 62.33 H new ATOM 0 HD21 LEU A 21 -8.320 -14.982 -13.814 1.00 52.11 H new ATOM 0 HD22 LEU A 21 -9.504 -15.195 -15.125 1.00 52.11 H new ATOM 0 HD23 LEU A 21 -9.594 -13.766 -14.068 1.00 52.11 H new ATOM 314 N ARG A 22 -14.647 -14.079 -13.648 1.00 41.02 N ATOM 315 CA ARG A 22 -15.974 -14.036 -14.252 1.00 24.24 C ATOM 316 C ARG A 22 -16.934 -13.215 -13.397 1.00 64.03 C ATOM 317 O ARG A 22 -16.711 -12.994 -12.206 1.00 72.45 O ATOM 318 CB ARG A 22 -16.520 -15.453 -14.436 1.00 70.11 C ATOM 319 CG ARG A 22 -16.129 -16.090 -15.758 1.00 65.50 C ATOM 320 CD ARG A 22 -17.273 -16.904 -16.344 1.00 23.40 C ATOM 321 NE ARG A 22 -16.823 -18.203 -16.838 1.00 42.04 N ATOM 322 CZ ARG A 22 -16.460 -19.205 -16.045 1.00 53.22 C ATOM 323 NH1 ARG A 22 -16.495 -19.059 -14.728 1.00 50.32 N ATOM 324 NH2 ARG A 22 -16.063 -20.357 -16.570 1.00 11.03 N ATOM 0 H ARG A 22 -14.645 -14.282 -12.648 1.00 41.02 H new ATOM 0 HA ARG A 22 -15.887 -13.559 -15.228 1.00 24.24 H new ATOM 0 HB2 ARG A 22 -16.161 -16.080 -13.620 1.00 70.11 H new ATOM 0 HB3 ARG A 22 -17.607 -15.426 -14.363 1.00 70.11 H new ATOM 0 HG2 ARG A 22 -15.834 -15.314 -16.464 1.00 65.50 H new ATOM 0 HG3 ARG A 22 -15.261 -16.733 -15.611 1.00 65.50 H new ATOM 0 HD2 ARG A 22 -18.040 -17.051 -15.584 1.00 23.40 H new ATOM 0 HD3 ARG A 22 -17.735 -16.346 -17.159 1.00 23.40 H new ATOM 0 HE ARG A 22 -16.785 -18.349 -17.847 1.00 42.04 H new ATOM 0 HH11 ARG A 22 -16.801 -18.175 -14.321 1.00 50.32 H new ATOM 0 HH12 ARG A 22 -16.216 -19.830 -14.122 1.00 50.32 H new ATOM 0 HH21 ARG A 22 -16.036 -20.474 -17.583 1.00 11.03 H new ATOM 0 HH22 ARG A 22 -15.784 -21.126 -15.961 1.00 11.03 H new ATOM 338 N PRO A 23 -18.028 -12.750 -14.017 1.00 45.35 N ATOM 339 CA PRO A 23 -19.045 -11.946 -13.332 1.00 5.41 C ATOM 340 C PRO A 23 -19.844 -12.761 -12.322 1.00 41.24 C ATOM 341 O PRO A 23 -20.265 -12.244 -11.286 1.00 63.42 O ATOM 342 CB PRO A 23 -19.950 -11.471 -14.472 1.00 5.22 C ATOM 343 CG PRO A 23 -19.780 -12.495 -15.542 1.00 1.33 C ATOM 344 CD PRO A 23 -18.358 -12.973 -15.435 1.00 51.30 C ATOM 0 HA PRO A 23 -18.602 -11.134 -12.755 1.00 5.41 H new ATOM 0 HB2 PRO A 23 -20.989 -11.403 -14.150 1.00 5.22 H new ATOM 0 HB3 PRO A 23 -19.659 -10.481 -14.822 1.00 5.22 H new ATOM 0 HG2 PRO A 23 -20.480 -13.320 -15.408 1.00 1.33 H new ATOM 0 HG3 PRO A 23 -19.975 -12.068 -16.526 1.00 1.33 H new ATOM 0 HD2 PRO A 23 -18.266 -14.024 -15.708 1.00 51.30 H new ATOM 0 HD3 PRO A 23 -17.695 -12.413 -16.095 1.00 51.30 H new ATOM 352 N GLY A 24 -20.051 -14.037 -12.629 1.00 75.41 N ATOM 353 CA GLY A 24 -20.800 -14.904 -11.737 1.00 25.14 C ATOM 354 C GLY A 24 -19.917 -15.922 -11.042 1.00 53.23 C ATOM 355 O GLY A 24 -20.398 -16.952 -10.572 1.00 70.05 O ATOM 0 H GLY A 24 -19.713 -14.487 -13.480 1.00 75.41 H new ATOM 0 HA2 GLY A 24 -21.309 -14.297 -10.988 1.00 25.14 H new ATOM 0 HA3 GLY A 24 -21.572 -15.424 -12.304 1.00 25.14 H new ATOM 359 N GLY A 25 -18.621 -15.633 -10.977 1.00 73.31 N ATOM 360 CA GLY A 25 -17.690 -16.543 -10.334 1.00 43.35 C ATOM 361 C GLY A 25 -17.106 -15.968 -9.060 1.00 0.42 C ATOM 362 O GLY A 25 -17.395 -14.829 -8.692 1.00 12.00 O ATOM 0 H GLY A 25 -18.199 -14.786 -11.358 1.00 73.31 H new ATOM 0 HA2 GLY A 25 -18.200 -17.479 -10.106 1.00 43.35 H new ATOM 0 HA3 GLY A 25 -16.882 -16.780 -11.026 1.00 43.35 H new ATOM 366 N LYS A 26 -16.281 -16.758 -8.381 1.00 10.25 N ATOM 367 CA LYS A 26 -15.653 -16.322 -7.138 1.00 62.23 C ATOM 368 C LYS A 26 -14.136 -16.252 -7.291 1.00 14.41 C ATOM 369 O LYS A 26 -13.467 -15.493 -6.590 1.00 23.13 O ATOM 370 CB LYS A 26 -16.018 -17.274 -5.998 1.00 15.32 C ATOM 371 CG LYS A 26 -17.491 -17.244 -5.627 1.00 42.22 C ATOM 372 CD LYS A 26 -17.786 -16.163 -4.602 1.00 34.31 C ATOM 373 CE LYS A 26 -18.096 -16.760 -3.238 1.00 14.45 C ATOM 374 NZ LYS A 26 -18.092 -15.726 -2.165 1.00 4.20 N ATOM 0 H LYS A 26 -16.031 -17.704 -8.670 1.00 10.25 H new ATOM 0 HA LYS A 26 -16.023 -15.324 -6.902 1.00 62.23 H new ATOM 0 HB2 LYS A 26 -15.745 -18.290 -6.283 1.00 15.32 H new ATOM 0 HB3 LYS A 26 -15.426 -17.019 -5.119 1.00 15.32 H new ATOM 0 HG2 LYS A 26 -18.089 -17.071 -6.522 1.00 42.22 H new ATOM 0 HG3 LYS A 26 -17.787 -18.215 -5.229 1.00 42.22 H new ATOM 0 HD2 LYS A 26 -16.930 -15.493 -4.521 1.00 34.31 H new ATOM 0 HD3 LYS A 26 -18.631 -15.562 -4.938 1.00 34.31 H new ATOM 0 HE2 LYS A 26 -19.070 -17.248 -3.268 1.00 14.45 H new ATOM 0 HE3 LYS A 26 -17.361 -17.530 -3.003 1.00 14.45 H new ATOM 0 HZ1 LYS A 26 -18.307 -16.173 -1.251 1.00 4.20 H new ATOM 0 HZ2 LYS A 26 -17.155 -15.278 -2.119 1.00 4.20 H new ATOM 0 HZ3 LYS A 26 -18.811 -15.005 -2.375 1.00 4.20 H new ATOM 388 N LYS A 27 -13.602 -17.047 -8.212 1.00 1.54 N ATOM 389 CA LYS A 27 -12.165 -17.073 -8.459 1.00 0.43 C ATOM 390 C LYS A 27 -11.640 -15.674 -8.767 1.00 63.14 C ATOM 391 O LYS A 27 -11.789 -15.179 -9.884 1.00 42.22 O ATOM 392 CB LYS A 27 -11.843 -18.017 -9.618 1.00 64.55 C ATOM 393 CG LYS A 27 -10.552 -18.796 -9.430 1.00 55.41 C ATOM 394 CD LYS A 27 -10.472 -19.981 -10.376 1.00 71.11 C ATOM 395 CE LYS A 27 -9.029 -20.365 -10.667 1.00 11.23 C ATOM 396 NZ LYS A 27 -8.926 -21.733 -11.246 1.00 31.34 N ATOM 0 H LYS A 27 -14.143 -17.682 -8.800 1.00 1.54 H new ATOM 0 HA LYS A 27 -11.673 -17.435 -7.556 1.00 0.43 H new ATOM 0 HB2 LYS A 27 -12.667 -18.720 -9.742 1.00 64.55 H new ATOM 0 HB3 LYS A 27 -11.777 -17.438 -10.539 1.00 64.55 H new ATOM 0 HG2 LYS A 27 -9.701 -18.137 -9.599 1.00 55.41 H new ATOM 0 HG3 LYS A 27 -10.484 -19.147 -8.400 1.00 55.41 H new ATOM 0 HD2 LYS A 27 -10.995 -20.832 -9.940 1.00 71.11 H new ATOM 0 HD3 LYS A 27 -10.980 -19.738 -11.309 1.00 71.11 H new ATOM 0 HE2 LYS A 27 -8.594 -19.644 -11.359 1.00 11.23 H new ATOM 0 HE3 LYS A 27 -8.447 -20.315 -9.747 1.00 11.23 H new ATOM 0 HZ1 LYS A 27 -7.927 -21.958 -11.430 1.00 31.34 H new ATOM 0 HZ2 LYS A 27 -9.318 -22.424 -10.575 1.00 31.34 H new ATOM 0 HZ3 LYS A 27 -9.460 -21.774 -12.137 1.00 31.34 H new ATOM 410 N GLN A 28 -11.025 -15.044 -7.772 1.00 25.44 N ATOM 411 CA GLN A 28 -10.477 -13.703 -7.939 1.00 72.53 C ATOM 412 C GLN A 28 -9.202 -13.736 -8.776 1.00 41.25 C ATOM 413 O GLN A 28 -8.641 -14.802 -9.028 1.00 73.01 O ATOM 414 CB GLN A 28 -10.190 -13.073 -6.575 1.00 43.31 C ATOM 415 CG GLN A 28 -11.315 -13.259 -5.570 1.00 61.11 C ATOM 416 CD GLN A 28 -11.142 -12.398 -4.334 1.00 32.31 C ATOM 417 OE1 GLN A 28 -11.188 -12.894 -3.208 1.00 12.51 O ATOM 418 NE2 GLN A 28 -10.941 -11.102 -4.539 1.00 2.10 N ATOM 0 H GLN A 28 -10.893 -15.440 -6.841 1.00 25.44 H new ATOM 0 HA GLN A 28 -11.217 -13.098 -8.462 1.00 72.53 H new ATOM 0 HB2 GLN A 28 -9.276 -13.506 -6.169 1.00 43.31 H new ATOM 0 HB3 GLN A 28 -10.005 -12.007 -6.708 1.00 43.31 H new ATOM 0 HG2 GLN A 28 -12.266 -13.018 -6.046 1.00 61.11 H new ATOM 0 HG3 GLN A 28 -11.363 -14.307 -5.274 1.00 61.11 H new ATOM 0 HE21 GLN A 28 -10.910 -10.735 -5.490 1.00 2.10 H new ATOM 0 HE22 GLN A 28 -10.817 -10.473 -3.745 1.00 2.10 H new ATOM 427 N TYR A 29 -8.751 -12.563 -9.204 1.00 54.52 N ATOM 428 CA TYR A 29 -7.544 -12.457 -10.014 1.00 62.01 C ATOM 429 C TYR A 29 -6.296 -12.480 -9.138 1.00 44.44 C ATOM 430 O TYR A 29 -6.312 -12.008 -8.001 1.00 4.40 O ATOM 431 CB TYR A 29 -7.575 -11.173 -10.847 1.00 32.35 C ATOM 432 CG TYR A 29 -7.974 -11.395 -12.288 1.00 73.23 C ATOM 433 CD1 TYR A 29 -7.066 -11.898 -13.212 1.00 0.55 C ATOM 434 CD2 TYR A 29 -9.260 -11.103 -12.726 1.00 5.13 C ATOM 435 CE1 TYR A 29 -7.426 -12.101 -14.530 1.00 75.44 C ATOM 436 CE2 TYR A 29 -9.629 -11.305 -14.041 1.00 50.13 C ATOM 437 CZ TYR A 29 -8.709 -11.804 -14.939 1.00 62.32 C ATOM 438 OH TYR A 29 -9.073 -12.005 -16.252 1.00 34.51 O ATOM 0 H TYR A 29 -9.204 -11.671 -9.003 1.00 54.52 H new ATOM 0 HA TYR A 29 -7.510 -13.316 -10.684 1.00 62.01 H new ATOM 0 HB2 TYR A 29 -8.272 -10.470 -10.390 1.00 32.35 H new ATOM 0 HB3 TYR A 29 -6.589 -10.708 -10.819 1.00 32.35 H new ATOM 0 HD1 TYR A 29 -6.061 -12.134 -12.894 1.00 0.55 H new ATOM 0 HD2 TYR A 29 -9.983 -10.711 -12.026 1.00 5.13 H new ATOM 0 HE1 TYR A 29 -6.707 -12.490 -15.236 1.00 75.44 H new ATOM 0 HE2 TYR A 29 -10.633 -11.073 -14.365 1.00 50.13 H new ATOM 0 HH TYR A 29 -10.036 -11.853 -16.351 1.00 34.51 H new ATOM 448 N LYS A 30 -5.213 -13.031 -9.677 1.00 12.52 N ATOM 449 CA LYS A 30 -3.954 -13.114 -8.947 1.00 61.31 C ATOM 450 C LYS A 30 -2.766 -13.025 -9.900 1.00 41.14 C ATOM 451 O LYS A 30 -2.922 -13.153 -11.115 1.00 5.02 O ATOM 452 CB LYS A 30 -3.887 -14.421 -8.152 1.00 5.22 C ATOM 453 CG LYS A 30 -4.647 -14.372 -6.839 1.00 34.42 C ATOM 454 CD LYS A 30 -4.364 -15.598 -5.985 1.00 63.35 C ATOM 455 CE LYS A 30 -5.021 -16.843 -6.563 1.00 13.20 C ATOM 456 NZ LYS A 30 -4.147 -18.041 -6.436 1.00 12.14 N ATOM 0 H LYS A 30 -5.182 -13.426 -10.617 1.00 12.52 H new ATOM 0 HA LYS A 30 -3.907 -12.272 -8.256 1.00 61.31 H new ATOM 0 HB2 LYS A 30 -4.287 -15.230 -8.764 1.00 5.22 H new ATOM 0 HB3 LYS A 30 -2.843 -14.660 -7.949 1.00 5.22 H new ATOM 0 HG2 LYS A 30 -4.369 -13.473 -6.290 1.00 34.42 H new ATOM 0 HG3 LYS A 30 -5.716 -14.305 -7.039 1.00 34.42 H new ATOM 0 HD2 LYS A 30 -3.287 -15.753 -5.914 1.00 63.35 H new ATOM 0 HD3 LYS A 30 -4.729 -15.429 -4.972 1.00 63.35 H new ATOM 0 HE2 LYS A 30 -5.965 -17.026 -6.050 1.00 13.20 H new ATOM 0 HE3 LYS A 30 -5.256 -16.675 -7.614 1.00 13.20 H new ATOM 0 HZ1 LYS A 30 -4.630 -18.868 -6.841 1.00 12.14 H new ATOM 0 HZ2 LYS A 30 -3.256 -17.876 -6.946 1.00 12.14 H new ATOM 0 HZ3 LYS A 30 -3.943 -18.217 -5.431 1.00 12.14 H new ATOM 470 N LEU A 31 -1.580 -12.808 -9.342 1.00 10.22 N ATOM 471 CA LEU A 31 -0.366 -12.703 -10.143 1.00 32.04 C ATOM 472 C LEU A 31 -0.221 -13.904 -11.072 1.00 40.31 C ATOM 473 O LEU A 31 0.355 -13.798 -12.156 1.00 53.33 O ATOM 474 CB LEU A 31 0.860 -12.598 -9.234 1.00 30.12 C ATOM 475 CG LEU A 31 1.994 -11.704 -9.736 1.00 44.44 C ATOM 476 CD1 LEU A 31 1.675 -10.240 -9.475 1.00 14.33 C ATOM 477 CD2 LEU A 31 3.311 -12.091 -9.079 1.00 40.33 C ATOM 0 H LEU A 31 -1.433 -12.701 -8.338 1.00 10.22 H new ATOM 0 HA LEU A 31 -0.439 -11.802 -10.752 1.00 32.04 H new ATOM 0 HB2 LEU A 31 0.536 -12.227 -8.262 1.00 30.12 H new ATOM 0 HB3 LEU A 31 1.257 -13.601 -9.077 1.00 30.12 H new ATOM 0 HG LEU A 31 2.093 -11.847 -10.812 1.00 44.44 H new ATOM 0 HD11 LEU A 31 2.493 -9.619 -9.839 1.00 14.33 H new ATOM 0 HD12 LEU A 31 0.756 -9.970 -9.994 1.00 14.33 H new ATOM 0 HD13 LEU A 31 1.547 -10.081 -8.404 1.00 14.33 H new ATOM 0 HD21 LEU A 31 4.106 -11.444 -9.449 1.00 40.33 H new ATOM 0 HD22 LEU A 31 3.225 -11.979 -7.998 1.00 40.33 H new ATOM 0 HD23 LEU A 31 3.546 -13.128 -9.319 1.00 40.33 H new ATOM 489 N LYS A 32 -0.750 -15.044 -10.643 1.00 32.44 N ATOM 490 CA LYS A 32 -0.684 -16.265 -11.438 1.00 32.55 C ATOM 491 C LYS A 32 -1.193 -16.022 -12.854 1.00 43.21 C ATOM 492 O LYS A 32 -0.649 -16.554 -13.821 1.00 21.22 O ATOM 493 CB LYS A 32 -1.502 -17.376 -10.774 1.00 13.21 C ATOM 494 CG LYS A 32 -0.653 -18.413 -10.060 1.00 72.41 C ATOM 495 CD LYS A 32 -0.039 -17.854 -8.789 1.00 10.41 C ATOM 496 CE LYS A 32 0.615 -18.946 -7.956 1.00 62.53 C ATOM 497 NZ LYS A 32 2.093 -18.777 -7.880 1.00 51.44 N ATOM 0 H LYS A 32 -1.230 -15.149 -9.749 1.00 32.44 H new ATOM 0 HA LYS A 32 0.360 -16.575 -11.495 1.00 32.55 H new ATOM 0 HB2 LYS A 32 -2.193 -16.929 -10.059 1.00 13.21 H new ATOM 0 HB3 LYS A 32 -2.106 -17.873 -11.533 1.00 13.21 H new ATOM 0 HG2 LYS A 32 -1.266 -19.281 -9.817 1.00 72.41 H new ATOM 0 HG3 LYS A 32 0.138 -18.757 -10.726 1.00 72.41 H new ATOM 0 HD2 LYS A 32 0.703 -17.097 -9.045 1.00 10.41 H new ATOM 0 HD3 LYS A 32 -0.810 -17.358 -8.199 1.00 10.41 H new ATOM 0 HE2 LYS A 32 0.196 -18.935 -6.950 1.00 62.53 H new ATOM 0 HE3 LYS A 32 0.383 -19.920 -8.387 1.00 62.53 H new ATOM 0 HZ1 LYS A 32 2.501 -19.541 -7.304 1.00 51.44 H new ATOM 0 HZ2 LYS A 32 2.496 -18.813 -8.838 1.00 51.44 H new ATOM 0 HZ3 LYS A 32 2.316 -17.859 -7.445 1.00 51.44 H new ATOM 511 N HIS A 33 -2.241 -15.211 -12.969 1.00 73.34 N ATOM 512 CA HIS A 33 -2.824 -14.894 -14.269 1.00 51.01 C ATOM 513 C HIS A 33 -1.957 -13.888 -15.021 1.00 11.20 C ATOM 514 O HIS A 33 -1.877 -14.013 -16.244 1.00 1.51 O ATOM 515 CB HIS A 33 -4.238 -14.337 -14.096 1.00 23.45 C ATOM 516 CG HIS A 33 -5.088 -15.143 -13.162 1.00 42.40 C ATOM 517 ND1 HIS A 33 -5.785 -14.587 -12.111 1.00 15.11 N ATOM 518 CD2 HIS A 33 -5.352 -16.469 -13.127 1.00 14.21 C ATOM 519 CE1 HIS A 33 -6.441 -15.537 -11.469 1.00 24.13 C ATOM 520 NE2 HIS A 33 -6.195 -16.689 -12.067 1.00 13.13 N ATOM 0 H HIS A 33 -2.703 -14.762 -12.179 1.00 73.34 H new ATOM 0 HA HIS A 33 -2.873 -15.814 -14.852 1.00 51.01 H new ATOM 0 HB2 HIS A 33 -4.174 -13.314 -13.725 1.00 23.45 H new ATOM 0 HB3 HIS A 33 -4.724 -14.293 -15.071 1.00 23.45 H new ATOM 0 HD2 HIS A 33 -4.970 -17.216 -13.807 1.00 14.21 H new ATOM 0 HE1 HIS A 33 -7.071 -15.396 -10.603 1.00 24.13 H new ATOM 0 HE2 HIS A 33 -6.571 -17.595 -11.786 1.00 13.13 H new ATOM 528 N ILE A 34 -1.329 -12.930 -14.349 1.00 11.44 N ATOM 529 CA ILE A 34 -0.490 -11.947 -15.024 1.00 21.53 C ATOM 530 C ILE A 34 0.746 -12.605 -15.631 1.00 43.45 C ATOM 531 O ILE A 34 1.195 -12.227 -16.714 1.00 52.35 O ATOM 532 CB ILE A 34 -0.042 -10.832 -14.061 1.00 42.04 C ATOM 533 CG1 ILE A 34 -1.251 -10.244 -13.330 1.00 71.10 C ATOM 534 CG2 ILE A 34 0.705 -9.745 -14.821 1.00 54.44 C ATOM 535 CD1 ILE A 34 -0.884 -9.202 -12.298 1.00 15.42 C ATOM 0 H ILE A 34 -1.385 -12.813 -13.337 1.00 11.44 H new ATOM 0 HA ILE A 34 -1.094 -11.509 -15.818 1.00 21.53 H new ATOM 0 HB ILE A 34 0.634 -11.260 -13.321 1.00 42.04 H new ATOM 0 HG12 ILE A 34 -1.926 -9.798 -14.061 1.00 71.10 H new ATOM 0 HG13 ILE A 34 -1.798 -11.051 -12.842 1.00 71.10 H new ATOM 0 HG21 ILE A 34 1.015 -8.964 -14.127 1.00 54.44 H new ATOM 0 HG22 ILE A 34 1.584 -10.175 -15.300 1.00 54.44 H new ATOM 0 HG23 ILE A 34 0.051 -9.317 -15.580 1.00 54.44 H new ATOM 0 HD11 ILE A 34 -1.790 -8.829 -11.820 1.00 15.42 H new ATOM 0 HD12 ILE A 34 -0.234 -9.648 -11.546 1.00 15.42 H new ATOM 0 HD13 ILE A 34 -0.364 -8.376 -12.784 1.00 15.42 H new ATOM 547 N VAL A 35 1.290 -13.592 -14.929 1.00 52.11 N ATOM 548 CA VAL A 35 2.471 -14.305 -15.399 1.00 22.24 C ATOM 549 C VAL A 35 2.094 -15.398 -16.394 1.00 50.42 C ATOM 550 O VAL A 35 2.806 -15.636 -17.369 1.00 74.20 O ATOM 551 CB VAL A 35 3.249 -14.936 -14.229 1.00 63.52 C ATOM 552 CG1 VAL A 35 4.458 -15.704 -14.744 1.00 75.34 C ATOM 553 CG2 VAL A 35 3.670 -13.868 -13.232 1.00 23.24 C ATOM 0 H VAL A 35 0.931 -13.917 -14.031 1.00 52.11 H new ATOM 0 HA VAL A 35 3.107 -13.571 -15.894 1.00 22.24 H new ATOM 0 HB VAL A 35 2.593 -15.640 -13.717 1.00 63.52 H new ATOM 0 HG11 VAL A 35 4.995 -16.143 -13.903 1.00 75.34 H new ATOM 0 HG12 VAL A 35 4.127 -16.496 -15.416 1.00 75.34 H new ATOM 0 HG13 VAL A 35 5.119 -15.024 -15.282 1.00 75.34 H new ATOM 0 HG21 VAL A 35 4.218 -14.332 -12.412 1.00 23.24 H new ATOM 0 HG22 VAL A 35 4.309 -13.138 -13.729 1.00 23.24 H new ATOM 0 HG23 VAL A 35 2.785 -13.368 -12.839 1.00 23.24 H new ATOM 563 N TRP A 36 0.970 -16.058 -16.139 1.00 45.31 N ATOM 564 CA TRP A 36 0.498 -17.126 -17.013 1.00 42.13 C ATOM 565 C TRP A 36 0.328 -16.624 -18.444 1.00 32.42 C ATOM 566 O TRP A 36 0.535 -17.371 -19.400 1.00 3.22 O ATOM 567 CB TRP A 36 -0.829 -17.686 -16.497 1.00 33.04 C ATOM 568 CG TRP A 36 -1.462 -18.671 -17.432 1.00 74.53 C ATOM 569 CD1 TRP A 36 -1.424 -20.033 -17.337 1.00 61.13 C ATOM 570 CD2 TRP A 36 -2.227 -18.369 -18.604 1.00 33.41 C ATOM 571 NE1 TRP A 36 -2.119 -20.596 -18.380 1.00 62.43 N ATOM 572 CE2 TRP A 36 -2.622 -19.597 -19.171 1.00 44.25 C ATOM 573 CE3 TRP A 36 -2.619 -17.182 -19.228 1.00 22.13 C ATOM 574 CZ2 TRP A 36 -3.387 -19.668 -20.332 1.00 62.03 C ATOM 575 CZ3 TRP A 36 -3.378 -17.254 -20.381 1.00 34.40 C ATOM 576 CH2 TRP A 36 -3.757 -18.490 -20.923 1.00 15.34 C ATOM 0 H TRP A 36 0.369 -15.873 -15.336 1.00 45.31 H new ATOM 0 HA TRP A 36 1.246 -17.919 -17.012 1.00 42.13 H new ATOM 0 HB2 TRP A 36 -0.662 -18.167 -15.533 1.00 33.04 H new ATOM 0 HB3 TRP A 36 -1.521 -16.861 -16.326 1.00 33.04 H new ATOM 0 HD1 TRP A 36 -0.922 -20.586 -16.557 1.00 61.13 H new ATOM 0 HE1 TRP A 36 -2.241 -21.596 -18.540 1.00 62.43 H new ATOM 0 HE3 TRP A 36 -2.334 -16.225 -18.817 1.00 22.13 H new ATOM 0 HZ2 TRP A 36 -3.678 -20.619 -20.752 1.00 62.03 H new ATOM 0 HZ3 TRP A 36 -3.684 -16.342 -20.873 1.00 34.40 H new ATOM 0 HH2 TRP A 36 -4.352 -18.513 -21.824 1.00 15.34 H new ATOM 587 N ALA A 37 -0.048 -15.358 -18.581 1.00 70.41 N ATOM 588 CA ALA A 37 -0.242 -14.757 -19.895 1.00 74.12 C ATOM 589 C ALA A 37 1.087 -14.330 -20.505 1.00 24.33 C ATOM 590 O ALA A 37 1.232 -14.276 -21.727 1.00 0.25 O ATOM 591 CB ALA A 37 -1.186 -13.568 -19.798 1.00 40.13 C ATOM 0 H ALA A 37 -0.225 -14.728 -17.799 1.00 70.41 H new ATOM 0 HA ALA A 37 -0.687 -15.508 -20.548 1.00 74.12 H new ATOM 0 HB1 ALA A 37 -1.321 -13.129 -20.787 1.00 40.13 H new ATOM 0 HB2 ALA A 37 -2.150 -13.900 -19.413 1.00 40.13 H new ATOM 0 HB3 ALA A 37 -0.764 -12.822 -19.125 1.00 40.13 H new ATOM 597 N SER A 38 2.057 -14.028 -19.649 1.00 14.03 N ATOM 598 CA SER A 38 3.375 -13.601 -20.103 1.00 70.31 C ATOM 599 C SER A 38 4.132 -14.762 -20.741 1.00 22.11 C ATOM 600 O SER A 38 4.814 -14.592 -21.752 1.00 12.22 O ATOM 601 CB SER A 38 4.182 -13.031 -18.935 1.00 34.30 C ATOM 602 OG SER A 38 3.678 -11.769 -18.534 1.00 42.05 O ATOM 0 H SER A 38 1.955 -14.071 -18.635 1.00 14.03 H new ATOM 0 HA SER A 38 3.238 -12.822 -20.854 1.00 70.31 H new ATOM 0 HB2 SER A 38 4.148 -13.723 -18.094 1.00 34.30 H new ATOM 0 HB3 SER A 38 5.228 -12.933 -19.225 1.00 34.30 H new ATOM 0 HG SER A 38 2.894 -11.897 -17.961 1.00 42.05 H new ATOM 608 N ARG A 39 4.007 -15.942 -20.142 1.00 52.31 N ATOM 609 CA ARG A 39 4.679 -17.132 -20.649 1.00 43.24 C ATOM 610 C ARG A 39 4.003 -17.639 -21.920 1.00 4.44 C ATOM 611 O ARG A 39 4.657 -18.193 -22.804 1.00 15.53 O ATOM 612 CB ARG A 39 4.684 -18.233 -19.588 1.00 12.12 C ATOM 613 CG ARG A 39 6.077 -18.634 -19.132 1.00 11.05 C ATOM 614 CD ARG A 39 6.170 -18.699 -17.614 1.00 64.44 C ATOM 615 NE ARG A 39 7.554 -18.671 -17.150 1.00 54.03 N ATOM 616 CZ ARG A 39 8.304 -17.575 -17.144 1.00 34.15 C ATOM 617 NH1 ARG A 39 7.808 -16.424 -17.575 1.00 75.01 N ATOM 618 NH2 ARG A 39 9.556 -17.630 -16.704 1.00 44.40 N ATOM 0 H ARG A 39 3.446 -16.099 -19.305 1.00 52.31 H new ATOM 0 HA ARG A 39 5.708 -16.863 -20.888 1.00 43.24 H new ATOM 0 HB2 ARG A 39 4.111 -17.896 -18.724 1.00 12.12 H new ATOM 0 HB3 ARG A 39 4.174 -19.111 -19.985 1.00 12.12 H new ATOM 0 HG2 ARG A 39 6.334 -19.605 -19.555 1.00 11.05 H new ATOM 0 HG3 ARG A 39 6.806 -17.918 -19.512 1.00 11.05 H new ATOM 0 HD2 ARG A 39 5.625 -17.860 -17.181 1.00 64.44 H new ATOM 0 HD3 ARG A 39 5.687 -19.610 -17.260 1.00 64.44 H new ATOM 0 HE ARG A 39 7.967 -19.540 -16.812 1.00 54.03 H new ATOM 0 HH11 ARG A 39 6.847 -16.378 -17.913 1.00 75.01 H new ATOM 0 HH12 ARG A 39 8.388 -15.585 -17.569 1.00 75.01 H new ATOM 0 HH21 ARG A 39 9.941 -18.514 -16.371 1.00 44.40 H new ATOM 0 HH22 ARG A 39 10.132 -16.788 -16.699 1.00 44.40 H new ATOM 632 N GLU A 40 2.691 -17.444 -22.003 1.00 63.55 N ATOM 633 CA GLU A 40 1.927 -17.884 -23.166 1.00 43.42 C ATOM 634 C GLU A 40 2.007 -16.854 -24.289 1.00 61.33 C ATOM 635 O GLU A 40 1.865 -17.191 -25.466 1.00 25.34 O ATOM 636 CB GLU A 40 0.465 -18.123 -22.782 1.00 52.44 C ATOM 637 CG GLU A 40 -0.109 -19.411 -23.347 1.00 55.22 C ATOM 638 CD GLU A 40 0.613 -20.644 -22.836 1.00 41.03 C ATOM 639 OE1 GLU A 40 0.346 -21.054 -21.687 1.00 24.42 O ATOM 640 OE2 GLU A 40 1.444 -21.198 -23.586 1.00 12.13 O ATOM 0 H GLU A 40 2.135 -16.985 -21.281 1.00 63.55 H new ATOM 0 HA GLU A 40 2.360 -18.819 -23.522 1.00 43.42 H new ATOM 0 HB2 GLU A 40 0.382 -18.144 -21.695 1.00 52.44 H new ATOM 0 HB3 GLU A 40 -0.136 -17.283 -23.131 1.00 52.44 H new ATOM 0 HG2 GLU A 40 -1.165 -19.479 -23.087 1.00 55.22 H new ATOM 0 HG3 GLU A 40 -0.050 -19.384 -24.435 1.00 55.22 H new ATOM 647 N LEU A 41 2.234 -15.599 -23.919 1.00 62.24 N ATOM 648 CA LEU A 41 2.332 -14.519 -24.895 1.00 1.14 C ATOM 649 C LEU A 41 3.600 -14.656 -25.732 1.00 0.12 C ATOM 650 O LEU A 41 3.553 -14.602 -26.960 1.00 65.13 O ATOM 651 CB LEU A 41 2.318 -13.163 -24.188 1.00 73.12 C ATOM 652 CG LEU A 41 0.952 -12.489 -24.056 1.00 30.23 C ATOM 653 CD1 LEU A 41 1.073 -11.184 -23.284 1.00 31.32 C ATOM 654 CD2 LEU A 41 0.343 -12.244 -25.429 1.00 11.31 C ATOM 0 H LEU A 41 2.354 -15.304 -22.950 1.00 62.24 H new ATOM 0 HA LEU A 41 1.471 -14.584 -25.560 1.00 1.14 H new ATOM 0 HB2 LEU A 41 2.735 -13.292 -23.189 1.00 73.12 H new ATOM 0 HB3 LEU A 41 2.983 -12.488 -24.726 1.00 73.12 H new ATOM 0 HG LEU A 41 0.292 -13.156 -23.501 1.00 30.23 H new ATOM 0 HD11 LEU A 41 0.091 -10.719 -23.200 1.00 31.32 H new ATOM 0 HD12 LEU A 41 1.465 -11.386 -22.287 1.00 31.32 H new ATOM 0 HD13 LEU A 41 1.750 -10.511 -23.811 1.00 31.32 H new ATOM 0 HD21 LEU A 41 -0.629 -11.764 -25.316 1.00 11.31 H new ATOM 0 HD22 LEU A 41 1.002 -11.598 -26.009 1.00 11.31 H new ATOM 0 HD23 LEU A 41 0.219 -13.195 -25.947 1.00 11.31 H new ATOM 666 N GLU A 42 4.732 -14.835 -25.058 1.00 52.13 N ATOM 667 CA GLU A 42 6.013 -14.981 -25.741 1.00 52.44 C ATOM 668 C GLU A 42 5.960 -16.118 -26.757 1.00 52.40 C ATOM 669 O GLU A 42 6.700 -16.119 -27.741 1.00 62.32 O ATOM 670 CB GLU A 42 7.129 -15.239 -24.727 1.00 44.53 C ATOM 671 CG GLU A 42 8.142 -14.109 -24.637 1.00 60.45 C ATOM 672 CD GLU A 42 9.541 -14.548 -25.020 1.00 31.43 C ATOM 673 OE1 GLU A 42 10.162 -15.301 -24.240 1.00 63.20 O ATOM 674 OE2 GLU A 42 10.016 -14.140 -26.100 1.00 5.42 O ATOM 0 H GLU A 42 4.788 -14.882 -24.041 1.00 52.13 H new ATOM 0 HA GLU A 42 6.222 -14.052 -26.272 1.00 52.44 H new ATOM 0 HB2 GLU A 42 6.686 -15.398 -23.744 1.00 44.53 H new ATOM 0 HB3 GLU A 42 7.647 -16.160 -24.996 1.00 44.53 H new ATOM 0 HG2 GLU A 42 7.830 -13.293 -25.289 1.00 60.45 H new ATOM 0 HG3 GLU A 42 8.154 -13.717 -23.620 1.00 60.45 H new ATOM 681 N ARG A 43 5.081 -17.084 -26.511 1.00 22.12 N ATOM 682 CA ARG A 43 4.934 -18.227 -27.402 1.00 72.54 C ATOM 683 C ARG A 43 4.265 -17.815 -28.710 1.00 43.22 C ATOM 684 O ARG A 43 4.488 -18.429 -29.755 1.00 3.41 O ATOM 685 CB ARG A 43 4.114 -19.328 -26.724 1.00 24.33 C ATOM 686 CG ARG A 43 4.959 -20.473 -26.189 1.00 2.24 C ATOM 687 CD ARG A 43 4.592 -21.792 -26.851 1.00 20.31 C ATOM 688 NE ARG A 43 5.428 -22.893 -26.379 1.00 12.25 N ATOM 689 CZ ARG A 43 6.687 -23.076 -26.760 1.00 62.30 C ATOM 690 NH1 ARG A 43 7.252 -22.236 -27.616 1.00 1.05 N ATOM 691 NH2 ARG A 43 7.383 -24.102 -26.285 1.00 44.12 N ATOM 0 H ARG A 43 4.460 -17.097 -25.702 1.00 22.12 H new ATOM 0 HA ARG A 43 5.930 -18.610 -27.627 1.00 72.54 H new ATOM 0 HB2 ARG A 43 3.545 -18.892 -25.903 1.00 24.33 H new ATOM 0 HB3 ARG A 43 3.391 -19.723 -27.438 1.00 24.33 H new ATOM 0 HG2 ARG A 43 6.014 -20.259 -26.361 1.00 2.24 H new ATOM 0 HG3 ARG A 43 4.822 -20.555 -25.111 1.00 2.24 H new ATOM 0 HD2 ARG A 43 3.545 -22.020 -26.650 1.00 20.31 H new ATOM 0 HD3 ARG A 43 4.695 -21.696 -27.932 1.00 20.31 H new ATOM 0 HE ARG A 43 5.022 -23.558 -25.720 1.00 12.25 H new ATOM 0 HH11 ARG A 43 6.720 -21.447 -27.983 1.00 1.05 H new ATOM 0 HH12 ARG A 43 8.219 -22.378 -27.907 1.00 1.05 H new ATOM 0 HH21 ARG A 43 6.951 -24.750 -25.627 1.00 44.12 H new ATOM 0 HH22 ARG A 43 8.350 -24.242 -26.578 1.00 44.12 H new ATOM 705 N PHE A 44 3.445 -16.771 -28.647 1.00 13.14 N ATOM 706 CA PHE A 44 2.743 -16.276 -29.825 1.00 13.33 C ATOM 707 C PHE A 44 3.503 -15.117 -30.464 1.00 50.41 C ATOM 708 O PHE A 44 2.910 -14.256 -31.113 1.00 30.32 O ATOM 709 CB PHE A 44 1.328 -15.830 -29.452 1.00 14.03 C ATOM 710 CG PHE A 44 0.360 -16.969 -29.302 1.00 25.31 C ATOM 711 CD1 PHE A 44 -0.045 -17.700 -30.407 1.00 51.00 C ATOM 712 CD2 PHE A 44 -0.143 -17.309 -28.057 1.00 2.44 C ATOM 713 CE1 PHE A 44 -0.937 -18.748 -30.272 1.00 23.52 C ATOM 714 CE2 PHE A 44 -1.034 -18.356 -27.916 1.00 62.12 C ATOM 715 CZ PHE A 44 -1.430 -19.077 -29.025 1.00 71.03 C ATOM 0 H PHE A 44 3.250 -16.251 -27.791 1.00 13.14 H new ATOM 0 HA PHE A 44 2.681 -17.089 -30.548 1.00 13.33 H new ATOM 0 HB2 PHE A 44 1.367 -15.271 -28.517 1.00 14.03 H new ATOM 0 HB3 PHE A 44 0.958 -15.147 -30.217 1.00 14.03 H new ATOM 0 HD1 PHE A 44 0.340 -17.449 -31.384 1.00 51.00 H new ATOM 0 HD2 PHE A 44 0.165 -16.749 -27.186 1.00 2.44 H new ATOM 0 HE1 PHE A 44 -1.248 -19.309 -31.141 1.00 23.52 H new ATOM 0 HE2 PHE A 44 -1.420 -18.610 -26.940 1.00 62.12 H new ATOM 0 HZ PHE A 44 -2.124 -19.897 -28.917 1.00 71.03 H new ATOM 725 N ALA A 45 4.818 -15.101 -30.273 1.00 75.33 N ATOM 726 CA ALA A 45 5.659 -14.050 -30.831 1.00 54.41 C ATOM 727 C ALA A 45 5.308 -12.692 -30.233 1.00 34.25 C ATOM 728 O ALA A 45 5.594 -11.650 -30.822 1.00 71.32 O ATOM 729 CB ALA A 45 5.522 -14.013 -32.346 1.00 31.44 C ATOM 0 H ALA A 45 5.324 -15.805 -29.735 1.00 75.33 H new ATOM 0 HA ALA A 45 6.695 -14.274 -30.576 1.00 54.41 H new ATOM 0 HB1 ALA A 45 6.156 -13.223 -32.749 1.00 31.44 H new ATOM 0 HB2 ALA A 45 5.828 -14.973 -32.763 1.00 31.44 H new ATOM 0 HB3 ALA A 45 4.484 -13.817 -32.613 1.00 31.44 H new ATOM 735 N VAL A 46 4.686 -12.710 -29.057 1.00 24.12 N ATOM 736 CA VAL A 46 4.297 -11.480 -28.379 1.00 44.20 C ATOM 737 C VAL A 46 5.000 -11.349 -27.032 1.00 22.10 C ATOM 738 O VAL A 46 4.771 -12.144 -26.122 1.00 52.34 O ATOM 739 CB VAL A 46 2.774 -11.418 -28.160 1.00 14.12 C ATOM 740 CG1 VAL A 46 2.394 -10.149 -27.412 1.00 53.12 C ATOM 741 CG2 VAL A 46 2.040 -11.504 -29.490 1.00 14.44 C ATOM 0 H VAL A 46 4.441 -13.564 -28.555 1.00 24.12 H new ATOM 0 HA VAL A 46 4.597 -10.654 -29.024 1.00 44.20 H new ATOM 0 HB VAL A 46 2.476 -12.272 -27.552 1.00 14.12 H new ATOM 0 HG11 VAL A 46 1.314 -10.122 -27.266 1.00 53.12 H new ATOM 0 HG12 VAL A 46 2.892 -10.135 -26.442 1.00 53.12 H new ATOM 0 HG13 VAL A 46 2.704 -9.279 -27.991 1.00 53.12 H new ATOM 0 HG21 VAL A 46 0.965 -11.459 -29.316 1.00 14.44 H new ATOM 0 HG22 VAL A 46 2.340 -10.671 -30.126 1.00 14.44 H new ATOM 0 HG23 VAL A 46 2.288 -12.444 -29.983 1.00 14.44 H new ATOM 751 N ASN A 47 5.856 -10.340 -26.914 1.00 32.22 N ATOM 752 CA ASN A 47 6.594 -10.104 -25.678 1.00 55.24 C ATOM 753 C ASN A 47 5.641 -9.783 -24.529 1.00 72.22 C ATOM 754 O ASN A 47 4.616 -9.124 -24.706 1.00 24.43 O ATOM 755 CB ASN A 47 7.590 -8.959 -25.864 1.00 12.21 C ATOM 756 CG ASN A 47 8.834 -9.390 -26.616 1.00 73.54 C ATOM 757 OD1 ASN A 47 9.770 -9.933 -26.029 1.00 22.33 O ATOM 758 ND2 ASN A 47 8.848 -9.152 -27.922 1.00 31.24 N ATOM 0 H ASN A 47 6.056 -9.672 -27.659 1.00 32.22 H new ATOM 0 HA ASN A 47 7.140 -11.014 -25.431 1.00 55.24 H new ATOM 0 HB2 ASN A 47 7.106 -8.145 -26.404 1.00 12.21 H new ATOM 0 HB3 ASN A 47 7.876 -8.568 -24.888 1.00 12.21 H new ATOM 0 HD21 ASN A 47 9.657 -9.422 -28.481 1.00 31.24 H new ATOM 0 HD22 ASN A 47 8.049 -8.699 -28.366 1.00 31.24 H new ATOM 765 N PRO A 48 5.987 -10.258 -23.324 1.00 21.01 N ATOM 766 CA PRO A 48 5.177 -10.033 -22.122 1.00 25.30 C ATOM 767 C PRO A 48 5.208 -8.578 -21.667 1.00 72.21 C ATOM 768 O PRO A 48 4.428 -8.171 -20.807 1.00 13.43 O ATOM 769 CB PRO A 48 5.837 -10.935 -21.077 1.00 55.23 C ATOM 770 CG PRO A 48 7.245 -11.084 -21.538 1.00 14.43 C ATOM 771 CD PRO A 48 7.194 -11.051 -23.040 1.00 25.23 C ATOM 0 HA PRO A 48 4.123 -10.255 -22.292 1.00 25.30 H new ATOM 0 HB2 PRO A 48 5.791 -10.489 -20.084 1.00 55.23 H new ATOM 0 HB3 PRO A 48 5.336 -11.901 -21.016 1.00 55.23 H new ATOM 0 HG2 PRO A 48 7.870 -10.279 -21.151 1.00 14.43 H new ATOM 0 HG3 PRO A 48 7.675 -12.020 -21.183 1.00 14.43 H new ATOM 0 HD2 PRO A 48 8.087 -10.589 -23.462 1.00 25.23 H new ATOM 0 HD3 PRO A 48 7.124 -12.054 -23.462 1.00 25.23 H new ATOM 779 N GLY A 49 6.114 -7.799 -22.250 1.00 12.41 N ATOM 780 CA GLY A 49 6.230 -6.398 -21.890 1.00 40.34 C ATOM 781 C GLY A 49 5.022 -5.588 -22.320 1.00 73.33 C ATOM 782 O GLY A 49 4.851 -4.443 -21.899 1.00 24.42 O ATOM 0 H GLY A 49 6.770 -8.113 -22.965 1.00 12.41 H new ATOM 0 HA2 GLY A 49 6.356 -6.312 -20.811 1.00 40.34 H new ATOM 0 HA3 GLY A 49 7.126 -5.981 -22.349 1.00 40.34 H new ATOM 786 N LEU A 50 4.182 -6.182 -23.160 1.00 22.41 N ATOM 787 CA LEU A 50 2.984 -5.508 -23.649 1.00 65.41 C ATOM 788 C LEU A 50 1.893 -5.496 -22.583 1.00 44.43 C ATOM 789 O LEU A 50 0.998 -4.648 -22.605 1.00 23.34 O ATOM 790 CB LEU A 50 2.469 -6.195 -24.915 1.00 71.32 C ATOM 791 CG LEU A 50 3.483 -6.368 -26.045 1.00 25.44 C ATOM 792 CD1 LEU A 50 2.820 -6.981 -27.269 1.00 23.34 C ATOM 793 CD2 LEU A 50 4.122 -5.032 -26.397 1.00 44.32 C ATOM 0 H LEU A 50 4.308 -7.129 -23.517 1.00 22.41 H new ATOM 0 HA LEU A 50 3.247 -4.477 -23.885 1.00 65.41 H new ATOM 0 HB2 LEU A 50 2.089 -7.179 -24.641 1.00 71.32 H new ATOM 0 HB3 LEU A 50 1.624 -5.622 -25.297 1.00 71.32 H new ATOM 0 HG LEU A 50 4.266 -7.045 -25.704 1.00 25.44 H new ATOM 0 HD11 LEU A 50 3.558 -7.096 -28.063 1.00 23.34 H new ATOM 0 HD12 LEU A 50 2.410 -7.957 -27.010 1.00 23.34 H new ATOM 0 HD13 LEU A 50 2.017 -6.329 -27.612 1.00 23.34 H new ATOM 0 HD21 LEU A 50 4.841 -5.174 -27.203 1.00 44.32 H new ATOM 0 HD22 LEU A 50 3.350 -4.333 -26.718 1.00 44.32 H new ATOM 0 HD23 LEU A 50 4.633 -4.631 -25.522 1.00 44.32 H new ATOM 805 N LEU A 51 1.973 -6.438 -21.651 1.00 3.55 N ATOM 806 CA LEU A 51 0.994 -6.534 -20.573 1.00 65.11 C ATOM 807 C LEU A 51 1.275 -5.500 -19.488 1.00 23.22 C ATOM 808 O LEU A 51 0.391 -5.149 -18.708 1.00 73.11 O ATOM 809 CB LEU A 51 1.006 -7.940 -19.970 1.00 24.30 C ATOM 810 CG LEU A 51 0.624 -9.079 -20.917 1.00 51.41 C ATOM 811 CD1 LEU A 51 0.703 -10.417 -20.199 1.00 72.03 C ATOM 812 CD2 LEU A 51 -0.772 -8.857 -21.482 1.00 5.45 C ATOM 0 H LEU A 51 2.706 -7.147 -21.619 1.00 3.55 H new ATOM 0 HA LEU A 51 0.008 -6.334 -20.992 1.00 65.11 H new ATOM 0 HB2 LEU A 51 2.004 -8.138 -19.580 1.00 24.30 H new ATOM 0 HB3 LEU A 51 0.323 -7.955 -19.121 1.00 24.30 H new ATOM 0 HG LEU A 51 1.332 -9.091 -21.746 1.00 51.41 H new ATOM 0 HD11 LEU A 51 0.428 -11.216 -20.887 1.00 72.03 H new ATOM 0 HD12 LEU A 51 1.720 -10.579 -19.843 1.00 72.03 H new ATOM 0 HD13 LEU A 51 0.017 -10.416 -19.352 1.00 72.03 H new ATOM 0 HD21 LEU A 51 -1.027 -9.677 -22.154 1.00 5.45 H new ATOM 0 HD22 LEU A 51 -1.493 -8.819 -20.666 1.00 5.45 H new ATOM 0 HD23 LEU A 51 -0.797 -7.916 -22.032 1.00 5.45 H new ATOM 824 N GLU A 52 2.512 -5.015 -19.446 1.00 20.25 N ATOM 825 CA GLU A 52 2.908 -4.020 -18.456 1.00 25.35 C ATOM 826 C GLU A 52 2.802 -2.611 -19.029 1.00 5.24 C ATOM 827 O GLU A 52 3.456 -1.682 -18.551 1.00 63.05 O ATOM 828 CB GLU A 52 4.339 -4.283 -17.980 1.00 61.42 C ATOM 829 CG GLU A 52 5.384 -4.108 -19.070 1.00 32.52 C ATOM 830 CD GLU A 52 6.788 -3.967 -18.514 1.00 4.34 C ATOM 831 OE1 GLU A 52 7.150 -4.747 -17.608 1.00 43.11 O ATOM 832 OE2 GLU A 52 7.525 -3.075 -18.987 1.00 35.34 O ATOM 0 H GLU A 52 3.256 -5.294 -20.085 1.00 20.25 H new ATOM 0 HA GLU A 52 2.230 -4.100 -17.606 1.00 25.35 H new ATOM 0 HB2 GLU A 52 4.569 -3.608 -17.156 1.00 61.42 H new ATOM 0 HB3 GLU A 52 4.402 -5.298 -17.587 1.00 61.42 H new ATOM 0 HG2 GLU A 52 5.348 -4.964 -19.744 1.00 32.52 H new ATOM 0 HG3 GLU A 52 5.141 -3.226 -19.663 1.00 32.52 H new ATOM 839 N THR A 53 1.975 -2.457 -20.059 1.00 12.43 N ATOM 840 CA THR A 53 1.784 -1.162 -20.699 1.00 60.33 C ATOM 841 C THR A 53 0.358 -1.009 -21.216 1.00 1.31 C ATOM 842 O THR A 53 -0.087 -1.772 -22.073 1.00 62.10 O ATOM 843 CB THR A 53 2.766 -0.963 -21.869 1.00 64.55 C ATOM 844 OG1 THR A 53 2.389 0.187 -22.635 1.00 42.22 O ATOM 845 CG2 THR A 53 2.791 -2.190 -22.768 1.00 73.32 C ATOM 0 H THR A 53 1.427 -3.214 -20.467 1.00 12.43 H new ATOM 0 HA THR A 53 1.976 -0.403 -19.940 1.00 60.33 H new ATOM 0 HB THR A 53 3.763 -0.813 -21.456 1.00 64.55 H new ATOM 0 HG1 THR A 53 3.019 0.307 -23.376 1.00 42.22 H new ATOM 0 HG21 THR A 53 3.491 -2.027 -23.587 1.00 73.32 H new ATOM 0 HG22 THR A 53 3.106 -3.059 -22.189 1.00 73.32 H new ATOM 0 HG23 THR A 53 1.794 -2.365 -23.172 1.00 73.32 H new ATOM 853 N SER A 54 -0.355 -0.019 -20.689 1.00 4.33 N ATOM 854 CA SER A 54 -1.733 0.233 -21.095 1.00 31.33 C ATOM 855 C SER A 54 -1.815 0.515 -22.592 1.00 12.42 C ATOM 856 O SER A 54 -2.870 0.360 -23.206 1.00 3.51 O ATOM 857 CB SER A 54 -2.312 1.410 -20.309 1.00 43.12 C ATOM 858 OG SER A 54 -2.363 2.580 -21.108 1.00 32.01 O ATOM 0 H SER A 54 -0.001 0.622 -19.979 1.00 4.33 H new ATOM 0 HA SER A 54 -2.319 -0.661 -20.879 1.00 31.33 H new ATOM 0 HB2 SER A 54 -3.314 1.160 -19.959 1.00 43.12 H new ATOM 0 HB3 SER A 54 -1.703 1.596 -19.425 1.00 43.12 H new ATOM 0 HG SER A 54 -2.738 3.318 -20.584 1.00 32.01 H new ATOM 864 N GLU A 55 -0.692 0.930 -23.172 1.00 50.24 N ATOM 865 CA GLU A 55 -0.638 1.236 -24.597 1.00 33.33 C ATOM 866 C GLU A 55 -0.272 -0.005 -25.405 1.00 71.24 C ATOM 867 O GLU A 55 -0.983 -0.386 -26.335 1.00 50.22 O ATOM 868 CB GLU A 55 0.377 2.349 -24.864 1.00 31.12 C ATOM 869 CG GLU A 55 -0.074 3.715 -24.374 1.00 53.14 C ATOM 870 CD GLU A 55 0.503 4.850 -25.197 1.00 34.54 C ATOM 871 OE1 GLU A 55 1.671 5.221 -24.958 1.00 3.23 O ATOM 872 OE2 GLU A 55 -0.212 5.366 -26.080 1.00 55.02 O ATOM 0 H GLU A 55 0.191 1.062 -22.678 1.00 50.24 H new ATOM 0 HA GLU A 55 -1.627 1.574 -24.908 1.00 33.33 H new ATOM 0 HB2 GLU A 55 1.320 2.092 -24.381 1.00 31.12 H new ATOM 0 HB3 GLU A 55 0.571 2.403 -25.935 1.00 31.12 H new ATOM 0 HG2 GLU A 55 -1.162 3.766 -24.404 1.00 53.14 H new ATOM 0 HG3 GLU A 55 0.222 3.839 -23.332 1.00 53.14 H new ATOM 879 N GLY A 56 0.842 -0.633 -25.044 1.00 23.32 N ATOM 880 CA GLY A 56 1.284 -1.824 -25.746 1.00 22.51 C ATOM 881 C GLY A 56 0.263 -2.943 -25.689 1.00 62.32 C ATOM 882 O GLY A 56 0.300 -3.869 -26.501 1.00 5.44 O ATOM 0 H GLY A 56 1.447 -0.338 -24.277 1.00 23.32 H new ATOM 0 HA2 GLY A 56 1.487 -1.574 -26.787 1.00 22.51 H new ATOM 0 HA3 GLY A 56 2.222 -2.170 -25.313 1.00 22.51 H new ATOM 886 N CYS A 57 -0.650 -2.860 -24.728 1.00 1.31 N ATOM 887 CA CYS A 57 -1.685 -3.875 -24.567 1.00 1.33 C ATOM 888 C CYS A 57 -2.683 -3.821 -25.718 1.00 71.22 C ATOM 889 O CYS A 57 -3.082 -4.855 -26.256 1.00 1.00 O ATOM 890 CB CYS A 57 -2.412 -3.684 -23.235 1.00 71.35 C ATOM 891 SG CYS A 57 -2.223 -5.066 -22.085 1.00 71.02 S ATOM 0 H CYS A 57 -0.695 -2.101 -24.049 1.00 1.31 H new ATOM 0 HA CYS A 57 -1.205 -4.853 -24.573 1.00 1.33 H new ATOM 0 HB2 CYS A 57 -2.042 -2.776 -22.759 1.00 71.35 H new ATOM 0 HB3 CYS A 57 -3.473 -3.531 -23.431 1.00 71.35 H new ATOM 0 HG CYS A 57 -2.871 -4.809 -20.988 1.00 71.02 H new ATOM 897 N ARG A 58 -3.084 -2.611 -26.092 1.00 15.53 N ATOM 898 CA ARG A 58 -4.038 -2.422 -27.177 1.00 61.04 C ATOM 899 C ARG A 58 -3.589 -3.167 -28.431 1.00 4.51 C ATOM 900 O ARG A 58 -4.414 -3.607 -29.232 1.00 11.24 O ATOM 901 CB ARG A 58 -4.205 -0.933 -27.487 1.00 31.34 C ATOM 902 CG ARG A 58 -5.649 -0.461 -27.450 1.00 43.01 C ATOM 903 CD ARG A 58 -5.746 1.047 -27.621 1.00 12.01 C ATOM 904 NE ARG A 58 -4.968 1.520 -28.762 1.00 41.21 N ATOM 905 CZ ARG A 58 -5.398 1.467 -30.018 1.00 33.53 C ATOM 906 NH1 ARG A 58 -6.593 0.962 -30.291 1.00 70.53 N ATOM 907 NH2 ARG A 58 -4.633 1.917 -31.003 1.00 23.55 N ATOM 0 H ARG A 58 -2.762 -1.746 -25.659 1.00 15.53 H new ATOM 0 HA ARG A 58 -4.998 -2.828 -26.857 1.00 61.04 H new ATOM 0 HB2 ARG A 58 -3.624 -0.354 -26.769 1.00 31.34 H new ATOM 0 HB3 ARG A 58 -3.790 -0.727 -28.474 1.00 31.34 H new ATOM 0 HG2 ARG A 58 -6.215 -0.955 -28.240 1.00 43.01 H new ATOM 0 HG3 ARG A 58 -6.104 -0.751 -26.503 1.00 43.01 H new ATOM 0 HD2 ARG A 58 -6.790 1.330 -27.752 1.00 12.01 H new ATOM 0 HD3 ARG A 58 -5.394 1.538 -26.714 1.00 12.01 H new ATOM 0 HE ARG A 58 -4.043 1.913 -28.585 1.00 41.21 H new ATOM 0 HH11 ARG A 58 -7.184 0.613 -29.536 1.00 70.53 H new ATOM 0 HH12 ARG A 58 -6.922 0.922 -31.256 1.00 70.53 H new ATOM 0 HH21 ARG A 58 -3.712 2.305 -30.797 1.00 23.55 H new ATOM 0 HH22 ARG A 58 -4.965 1.875 -31.967 1.00 23.55 H new ATOM 921 N GLN A 59 -2.276 -3.302 -28.593 1.00 71.34 N ATOM 922 CA GLN A 59 -1.718 -3.992 -29.751 1.00 50.34 C ATOM 923 C GLN A 59 -2.052 -5.480 -29.712 1.00 53.33 C ATOM 924 O GLN A 59 -2.302 -6.096 -30.748 1.00 35.43 O ATOM 925 CB GLN A 59 -0.201 -3.799 -29.803 1.00 41.05 C ATOM 926 CG GLN A 59 0.484 -4.651 -30.859 1.00 42.44 C ATOM 927 CD GLN A 59 1.487 -3.866 -31.680 1.00 1.11 C ATOM 928 OE1 GLN A 59 1.252 -3.569 -32.852 1.00 12.12 O ATOM 929 NE2 GLN A 59 2.616 -3.523 -31.068 1.00 73.54 N ATOM 0 H GLN A 59 -1.580 -2.944 -27.939 1.00 71.34 H new ATOM 0 HA GLN A 59 -2.164 -3.562 -30.648 1.00 50.34 H new ATOM 0 HB2 GLN A 59 0.017 -2.749 -29.998 1.00 41.05 H new ATOM 0 HB3 GLN A 59 0.221 -4.036 -28.826 1.00 41.05 H new ATOM 0 HG2 GLN A 59 0.990 -5.486 -30.375 1.00 42.44 H new ATOM 0 HG3 GLN A 59 -0.269 -5.076 -31.522 1.00 42.44 H new ATOM 0 HE21 GLN A 59 2.770 -3.790 -30.096 1.00 73.54 H new ATOM 0 HE22 GLN A 59 3.328 -2.993 -31.571 1.00 73.54 H new ATOM 938 N ILE A 60 -2.056 -6.049 -28.510 1.00 63.13 N ATOM 939 CA ILE A 60 -2.360 -7.463 -28.337 1.00 62.44 C ATOM 940 C ILE A 60 -3.814 -7.760 -28.691 1.00 23.22 C ATOM 941 O ILE A 60 -4.095 -8.528 -29.612 1.00 74.42 O ATOM 942 CB ILE A 60 -2.091 -7.925 -26.893 1.00 3.14 C ATOM 943 CG1 ILE A 60 -0.662 -7.566 -26.478 1.00 1.21 C ATOM 944 CG2 ILE A 60 -2.326 -9.422 -26.762 1.00 30.33 C ATOM 945 CD1 ILE A 60 -0.384 -7.795 -25.009 1.00 32.32 C ATOM 0 H ILE A 60 -1.852 -5.552 -27.643 1.00 63.13 H new ATOM 0 HA ILE A 60 -1.704 -8.011 -29.013 1.00 62.44 H new ATOM 0 HB ILE A 60 -2.784 -7.410 -26.228 1.00 3.14 H new ATOM 0 HG12 ILE A 60 0.038 -8.157 -27.068 1.00 1.21 H new ATOM 0 HG13 ILE A 60 -0.475 -6.519 -26.716 1.00 1.21 H new ATOM 0 HG21 ILE A 60 -2.131 -9.732 -25.735 1.00 30.33 H new ATOM 0 HG22 ILE A 60 -3.359 -9.652 -27.021 1.00 30.33 H new ATOM 0 HG23 ILE A 60 -1.656 -9.956 -27.436 1.00 30.33 H new ATOM 0 HD11 ILE A 60 0.647 -7.519 -24.787 1.00 32.32 H new ATOM 0 HD12 ILE A 60 -1.060 -7.184 -24.411 1.00 32.32 H new ATOM 0 HD13 ILE A 60 -0.538 -8.847 -24.769 1.00 32.32 H new ATOM 957 N LEU A 61 -4.733 -7.146 -27.955 1.00 24.43 N ATOM 958 CA LEU A 61 -6.159 -7.342 -28.192 1.00 72.20 C ATOM 959 C LEU A 61 -6.516 -7.045 -29.645 1.00 22.12 C ATOM 960 O LEU A 61 -7.475 -7.596 -30.184 1.00 22.21 O ATOM 961 CB LEU A 61 -6.979 -6.448 -27.260 1.00 2.14 C ATOM 962 CG LEU A 61 -6.684 -6.587 -25.766 1.00 24.20 C ATOM 963 CD1 LEU A 61 -6.962 -5.278 -25.044 1.00 53.22 C ATOM 964 CD2 LEU A 61 -7.507 -7.716 -25.163 1.00 62.50 C ATOM 0 H LEU A 61 -4.517 -6.508 -27.189 1.00 24.43 H new ATOM 0 HA LEU A 61 -6.396 -8.386 -27.985 1.00 72.20 H new ATOM 0 HB2 LEU A 61 -6.814 -5.410 -27.547 1.00 2.14 H new ATOM 0 HB3 LEU A 61 -8.036 -6.660 -27.423 1.00 2.14 H new ATOM 0 HG LEU A 61 -5.628 -6.829 -25.644 1.00 24.20 H new ATOM 0 HD11 LEU A 61 -6.747 -5.395 -23.982 1.00 53.22 H new ATOM 0 HD12 LEU A 61 -6.329 -4.493 -25.458 1.00 53.22 H new ATOM 0 HD13 LEU A 61 -8.010 -5.006 -25.174 1.00 53.22 H new ATOM 0 HD21 LEU A 61 -7.284 -7.801 -24.099 1.00 62.50 H new ATOM 0 HD22 LEU A 61 -8.568 -7.504 -25.296 1.00 62.50 H new ATOM 0 HD23 LEU A 61 -7.259 -8.653 -25.661 1.00 62.50 H new ATOM 976 N GLY A 62 -5.736 -6.171 -30.273 1.00 24.31 N ATOM 977 CA GLY A 62 -5.985 -5.817 -31.659 1.00 24.24 C ATOM 978 C GLY A 62 -5.766 -6.983 -32.603 1.00 41.54 C ATOM 979 O GLY A 62 -6.261 -6.977 -33.730 1.00 75.14 O ATOM 0 H GLY A 62 -4.936 -5.702 -29.848 1.00 24.31 H new ATOM 0 HA2 GLY A 62 -7.009 -5.458 -31.761 1.00 24.24 H new ATOM 0 HA3 GLY A 62 -5.329 -4.994 -31.944 1.00 24.24 H new ATOM 983 N GLN A 63 -5.022 -7.984 -32.143 1.00 52.24 N ATOM 984 CA GLN A 63 -4.738 -9.160 -32.957 1.00 34.02 C ATOM 985 C GLN A 63 -5.572 -10.352 -32.500 1.00 21.14 C ATOM 986 O GLN A 63 -5.910 -11.228 -33.297 1.00 14.32 O ATOM 987 CB GLN A 63 -3.249 -9.506 -32.887 1.00 53.04 C ATOM 988 CG GLN A 63 -2.451 -8.999 -34.077 1.00 33.42 C ATOM 989 CD GLN A 63 -0.959 -9.208 -33.910 1.00 1.14 C ATOM 990 OE1 GLN A 63 -0.279 -8.416 -33.255 1.00 61.51 O ATOM 991 NE2 GLN A 63 -0.440 -10.278 -34.501 1.00 24.00 N ATOM 0 H GLN A 63 -4.606 -8.004 -31.212 1.00 52.24 H new ATOM 0 HA GLN A 63 -5.002 -8.930 -33.989 1.00 34.02 H new ATOM 0 HB2 GLN A 63 -2.829 -9.086 -31.973 1.00 53.04 H new ATOM 0 HB3 GLN A 63 -3.139 -10.588 -32.820 1.00 53.04 H new ATOM 0 HG2 GLN A 63 -2.787 -9.510 -34.979 1.00 33.42 H new ATOM 0 HG3 GLN A 63 -2.652 -7.937 -34.219 1.00 33.42 H new ATOM 0 HE21 GLN A 63 -1.040 -10.908 -35.034 1.00 24.00 H new ATOM 0 HE22 GLN A 63 0.559 -10.470 -34.422 1.00 24.00 H new ATOM 1000 N LEU A 64 -5.899 -10.380 -31.212 1.00 70.44 N ATOM 1001 CA LEU A 64 -6.694 -11.466 -30.649 1.00 33.21 C ATOM 1002 C LEU A 64 -8.181 -11.235 -30.893 1.00 71.52 C ATOM 1003 O LEU A 64 -8.965 -12.184 -30.946 1.00 42.11 O ATOM 1004 CB LEU A 64 -6.425 -11.594 -29.148 1.00 63.45 C ATOM 1005 CG LEU A 64 -5.030 -12.079 -28.755 1.00 31.31 C ATOM 1006 CD1 LEU A 64 -4.907 -12.185 -27.243 1.00 13.10 C ATOM 1007 CD2 LEU A 64 -4.726 -13.419 -29.411 1.00 5.43 C ATOM 0 H LEU A 64 -5.626 -9.664 -30.539 1.00 70.44 H new ATOM 0 HA LEU A 64 -6.404 -12.392 -31.145 1.00 33.21 H new ATOM 0 HB2 LEU A 64 -6.594 -10.622 -28.685 1.00 63.45 H new ATOM 0 HB3 LEU A 64 -7.159 -12.280 -28.725 1.00 63.45 H new ATOM 0 HG LEU A 64 -4.301 -11.350 -29.108 1.00 31.31 H new ATOM 0 HD11 LEU A 64 -3.907 -12.532 -26.983 1.00 13.10 H new ATOM 0 HD12 LEU A 64 -5.080 -11.207 -26.794 1.00 13.10 H new ATOM 0 HD13 LEU A 64 -5.646 -12.893 -26.867 1.00 13.10 H new ATOM 0 HD21 LEU A 64 -3.729 -13.749 -29.120 1.00 5.43 H new ATOM 0 HD22 LEU A 64 -5.461 -14.157 -29.089 1.00 5.43 H new ATOM 0 HD23 LEU A 64 -4.771 -13.312 -30.495 1.00 5.43 H new ATOM 1019 N GLN A 65 -8.562 -9.972 -31.043 1.00 43.44 N ATOM 1020 CA GLN A 65 -9.957 -9.617 -31.284 1.00 22.33 C ATOM 1021 C GLN A 65 -10.527 -10.414 -32.453 1.00 22.34 C ATOM 1022 O GLN A 65 -11.474 -11.186 -32.306 1.00 71.54 O ATOM 1023 CB GLN A 65 -10.084 -8.119 -31.562 1.00 25.15 C ATOM 1024 CG GLN A 65 -10.633 -7.326 -30.388 1.00 10.04 C ATOM 1025 CD GLN A 65 -12.133 -7.123 -30.471 1.00 1.44 C ATOM 1026 OE1 GLN A 65 -12.619 -5.991 -30.452 1.00 61.20 O ATOM 1027 NE2 GLN A 65 -12.875 -8.220 -30.564 1.00 52.10 N ATOM 0 H GLN A 65 -7.925 -9.176 -31.002 1.00 43.44 H new ATOM 0 HA GLN A 65 -10.528 -9.862 -30.388 1.00 22.33 H new ATOM 0 HB2 GLN A 65 -9.104 -7.724 -31.830 1.00 25.15 H new ATOM 0 HB3 GLN A 65 -10.734 -7.972 -32.425 1.00 25.15 H new ATOM 0 HG2 GLN A 65 -10.391 -7.844 -29.460 1.00 10.04 H new ATOM 0 HG3 GLN A 65 -10.140 -6.354 -30.349 1.00 10.04 H new ATOM 0 HE21 GLN A 65 -12.430 -9.137 -30.576 1.00 52.10 H new ATOM 0 HE22 GLN A 65 -13.891 -8.145 -30.623 1.00 52.10 H new ATOM 1036 N PRO A 66 -9.937 -10.224 -33.642 1.00 44.14 N ATOM 1037 CA PRO A 66 -10.370 -10.915 -34.860 1.00 71.10 C ATOM 1038 C PRO A 66 -10.044 -12.404 -34.827 1.00 71.53 C ATOM 1039 O PRO A 66 -10.592 -13.187 -35.603 1.00 51.23 O ATOM 1040 CB PRO A 66 -9.574 -10.218 -35.967 1.00 31.24 C ATOM 1041 CG PRO A 66 -8.364 -9.682 -35.282 1.00 11.11 C ATOM 1042 CD PRO A 66 -8.802 -9.318 -33.891 1.00 41.42 C ATOM 0 HA PRO A 66 -11.450 -10.862 -34.996 1.00 71.10 H new ATOM 0 HB2 PRO A 66 -9.304 -10.916 -36.760 1.00 31.24 H new ATOM 0 HB3 PRO A 66 -10.154 -9.419 -36.429 1.00 31.24 H new ATOM 0 HG2 PRO A 66 -7.568 -10.426 -35.258 1.00 11.11 H new ATOM 0 HG3 PRO A 66 -7.972 -8.812 -35.808 1.00 11.11 H new ATOM 0 HD2 PRO A 66 -8.002 -9.467 -33.166 1.00 41.42 H new ATOM 0 HD3 PRO A 66 -9.101 -8.272 -33.825 1.00 41.42 H new ATOM 1050 N SER A 67 -9.148 -12.790 -33.924 1.00 10.11 N ATOM 1051 CA SER A 67 -8.747 -14.186 -33.793 1.00 43.11 C ATOM 1052 C SER A 67 -9.528 -14.873 -32.676 1.00 62.31 C ATOM 1053 O SER A 67 -9.049 -15.830 -32.067 1.00 74.32 O ATOM 1054 CB SER A 67 -7.246 -14.283 -33.515 1.00 23.30 C ATOM 1055 OG SER A 67 -6.494 -14.100 -34.702 1.00 43.14 O ATOM 0 H SER A 67 -8.686 -12.156 -33.272 1.00 10.11 H new ATOM 0 HA SER A 67 -8.969 -14.692 -34.733 1.00 43.11 H new ATOM 0 HB2 SER A 67 -6.960 -13.531 -32.780 1.00 23.30 H new ATOM 0 HB3 SER A 67 -7.016 -15.256 -33.081 1.00 23.30 H new ATOM 0 HG SER A 67 -5.538 -14.165 -34.497 1.00 43.14 H new ATOM 1061 N LEU A 68 -10.731 -14.377 -32.413 1.00 43.52 N ATOM 1062 CA LEU A 68 -11.580 -14.941 -31.371 1.00 75.22 C ATOM 1063 C LEU A 68 -12.490 -16.027 -31.937 1.00 71.14 C ATOM 1064 O LEU A 68 -12.684 -17.074 -31.318 1.00 4.31 O ATOM 1065 CB LEU A 68 -12.422 -13.842 -30.720 1.00 71.30 C ATOM 1066 CG LEU A 68 -11.813 -13.171 -29.489 1.00 11.31 C ATOM 1067 CD1 LEU A 68 -12.714 -12.051 -28.990 1.00 72.35 C ATOM 1068 CD2 LEU A 68 -11.570 -14.194 -28.388 1.00 41.53 C ATOM 0 H LEU A 68 -11.141 -13.585 -32.908 1.00 43.52 H new ATOM 0 HA LEU A 68 -10.935 -15.391 -30.616 1.00 75.22 H new ATOM 0 HB2 LEU A 68 -12.621 -13.074 -31.467 1.00 71.30 H new ATOM 0 HB3 LEU A 68 -13.385 -14.269 -30.438 1.00 71.30 H new ATOM 0 HG LEU A 68 -10.854 -12.738 -29.773 1.00 11.31 H new ATOM 0 HD11 LEU A 68 -12.264 -11.585 -28.113 1.00 72.35 H new ATOM 0 HD12 LEU A 68 -12.836 -11.305 -29.775 1.00 72.35 H new ATOM 0 HD13 LEU A 68 -13.689 -12.460 -28.724 1.00 72.35 H new ATOM 0 HD21 LEU A 68 -11.136 -13.698 -27.520 1.00 41.53 H new ATOM 0 HD22 LEU A 68 -12.516 -14.657 -28.106 1.00 41.53 H new ATOM 0 HD23 LEU A 68 -10.884 -14.960 -28.748 1.00 41.53 H new ATOM 1080 N GLN A 69 -13.046 -15.770 -33.117 1.00 23.54 N ATOM 1081 CA GLN A 69 -13.934 -16.726 -33.767 1.00 23.44 C ATOM 1082 C GLN A 69 -13.271 -18.095 -33.882 1.00 3.24 C ATOM 1083 O GLN A 69 -13.836 -19.107 -33.467 1.00 61.51 O ATOM 1084 CB GLN A 69 -14.332 -16.221 -35.155 1.00 73.50 C ATOM 1085 CG GLN A 69 -15.772 -16.535 -35.526 1.00 52.23 C ATOM 1086 CD GLN A 69 -16.740 -15.463 -35.065 1.00 74.33 C ATOM 1087 OE1 GLN A 69 -16.973 -14.478 -35.765 1.00 41.33 O ATOM 1088 NE2 GLN A 69 -17.311 -15.651 -33.880 1.00 4.53 N ATOM 0 H GLN A 69 -12.897 -14.908 -33.642 1.00 23.54 H new ATOM 0 HA GLN A 69 -14.829 -16.827 -33.154 1.00 23.44 H new ATOM 0 HB2 GLN A 69 -14.182 -15.142 -35.197 1.00 73.50 H new ATOM 0 HB3 GLN A 69 -13.669 -16.665 -35.898 1.00 73.50 H new ATOM 0 HG2 GLN A 69 -15.848 -16.647 -36.607 1.00 52.23 H new ATOM 0 HG3 GLN A 69 -16.057 -17.490 -35.085 1.00 52.23 H new ATOM 0 HE21 GLN A 69 -17.089 -16.483 -33.333 1.00 4.53 H new ATOM 0 HE22 GLN A 69 -17.972 -14.964 -33.517 1.00 4.53 H new ATOM 1097 N THR A 70 -12.067 -18.119 -34.447 1.00 43.44 N ATOM 1098 CA THR A 70 -11.328 -19.363 -34.618 1.00 2.50 C ATOM 1099 C THR A 70 -10.181 -19.461 -33.619 1.00 32.32 C ATOM 1100 O THR A 70 -9.184 -20.137 -33.870 1.00 5.33 O ATOM 1101 CB THR A 70 -10.763 -19.489 -36.046 1.00 33.32 C ATOM 1102 OG1 THR A 70 -11.590 -18.767 -36.965 1.00 23.30 O ATOM 1103 CG2 THR A 70 -10.681 -20.948 -36.468 1.00 11.12 C ATOM 0 H THR A 70 -11.584 -17.290 -34.794 1.00 43.44 H new ATOM 0 HA THR A 70 -12.032 -20.177 -34.441 1.00 2.50 H new ATOM 0 HB THR A 70 -9.758 -19.068 -36.054 1.00 33.32 H new ATOM 0 HG1 THR A 70 -11.223 -18.850 -37.870 1.00 23.30 H new ATOM 0 HG21 THR A 70 -10.279 -21.012 -37.479 1.00 11.12 H new ATOM 0 HG22 THR A 70 -10.028 -21.489 -35.783 1.00 11.12 H new ATOM 0 HG23 THR A 70 -11.677 -21.390 -36.444 1.00 11.12 H new ATOM 1111 N GLY A 71 -10.330 -18.785 -32.484 1.00 64.42 N ATOM 1112 CA GLY A 71 -9.299 -18.811 -31.464 1.00 24.32 C ATOM 1113 C GLY A 71 -9.097 -20.194 -30.878 1.00 52.11 C ATOM 1114 O GLY A 71 -9.873 -21.110 -31.150 1.00 62.33 O ATOM 0 H GLY A 71 -11.147 -18.220 -32.253 1.00 64.42 H new ATOM 0 HA2 GLY A 71 -8.360 -18.461 -31.892 1.00 24.32 H new ATOM 0 HA3 GLY A 71 -9.564 -18.117 -30.666 1.00 24.32 H new ATOM 1118 N SER A 72 -8.051 -20.347 -30.072 1.00 52.01 N ATOM 1119 CA SER A 72 -7.747 -21.630 -29.451 1.00 14.15 C ATOM 1120 C SER A 72 -8.224 -21.658 -28.001 1.00 62.41 C ATOM 1121 O SER A 72 -8.919 -20.750 -27.548 1.00 64.22 O ATOM 1122 CB SER A 72 -6.243 -21.906 -29.510 1.00 44.21 C ATOM 1123 OG SER A 72 -5.521 -20.968 -28.731 1.00 11.31 O ATOM 0 H SER A 72 -7.400 -19.598 -29.834 1.00 52.01 H new ATOM 0 HA SER A 72 -8.274 -22.407 -30.004 1.00 14.15 H new ATOM 0 HB2 SER A 72 -6.041 -22.915 -29.150 1.00 44.21 H new ATOM 0 HB3 SER A 72 -5.903 -21.863 -30.545 1.00 44.21 H new ATOM 0 HG SER A 72 -4.562 -21.065 -28.908 1.00 11.31 H new ATOM 1129 N GLU A 73 -7.843 -22.708 -27.280 1.00 53.20 N ATOM 1130 CA GLU A 73 -8.232 -22.856 -25.882 1.00 5.23 C ATOM 1131 C GLU A 73 -7.481 -21.862 -25.001 1.00 1.43 C ATOM 1132 O GLU A 73 -8.062 -21.249 -24.105 1.00 63.22 O ATOM 1133 CB GLU A 73 -7.963 -24.284 -25.403 1.00 43.21 C ATOM 1134 CG GLU A 73 -6.521 -24.725 -25.583 1.00 2.33 C ATOM 1135 CD GLU A 73 -6.402 -26.184 -25.976 1.00 32.10 C ATOM 1136 OE1 GLU A 73 -7.269 -26.982 -25.561 1.00 32.52 O ATOM 1137 OE2 GLU A 73 -5.442 -26.529 -26.698 1.00 42.42 O ATOM 0 H GLU A 73 -7.266 -23.468 -27.640 1.00 53.20 H new ATOM 0 HA GLU A 73 -9.300 -22.650 -25.804 1.00 5.23 H new ATOM 0 HB2 GLU A 73 -8.228 -24.361 -24.349 1.00 43.21 H new ATOM 0 HB3 GLU A 73 -8.614 -24.969 -25.946 1.00 43.21 H new ATOM 0 HG2 GLU A 73 -6.049 -24.107 -26.347 1.00 2.33 H new ATOM 0 HG3 GLU A 73 -5.975 -24.557 -24.655 1.00 2.33 H new ATOM 1144 N GLU A 74 -6.186 -21.709 -25.261 1.00 74.33 N ATOM 1145 CA GLU A 74 -5.355 -20.792 -24.491 1.00 55.41 C ATOM 1146 C GLU A 74 -5.637 -19.344 -24.883 1.00 3.22 C ATOM 1147 O GLU A 74 -5.544 -18.436 -24.056 1.00 53.24 O ATOM 1148 CB GLU A 74 -3.874 -21.110 -24.702 1.00 53.00 C ATOM 1149 CG GLU A 74 -3.346 -20.677 -26.058 1.00 24.31 C ATOM 1150 CD GLU A 74 -2.266 -21.603 -26.586 1.00 44.15 C ATOM 1151 OE1 GLU A 74 -2.611 -22.588 -27.271 1.00 12.34 O ATOM 1152 OE2 GLU A 74 -1.076 -21.340 -26.316 1.00 12.24 O ATOM 0 H GLU A 74 -5.690 -22.209 -25.999 1.00 74.33 H new ATOM 0 HA GLU A 74 -5.599 -20.919 -23.436 1.00 55.41 H new ATOM 0 HB2 GLU A 74 -3.291 -20.621 -23.922 1.00 53.00 H new ATOM 0 HB3 GLU A 74 -3.722 -22.183 -24.588 1.00 53.00 H new ATOM 0 HG2 GLU A 74 -4.170 -20.642 -26.771 1.00 24.31 H new ATOM 0 HG3 GLU A 74 -2.947 -19.665 -25.982 1.00 24.31 H new ATOM 1159 N LEU A 75 -5.979 -19.137 -26.150 1.00 1.50 N ATOM 1160 CA LEU A 75 -6.273 -17.799 -26.653 1.00 52.20 C ATOM 1161 C LEU A 75 -7.413 -17.159 -25.867 1.00 33.53 C ATOM 1162 O LEU A 75 -7.376 -15.968 -25.558 1.00 60.41 O ATOM 1163 CB LEU A 75 -6.634 -17.860 -28.138 1.00 40.23 C ATOM 1164 CG LEU A 75 -6.606 -16.530 -28.891 1.00 0.22 C ATOM 1165 CD1 LEU A 75 -6.115 -16.733 -30.316 1.00 2.42 C ATOM 1166 CD2 LEU A 75 -7.984 -15.884 -28.887 1.00 72.43 C ATOM 0 H LEU A 75 -6.060 -19.877 -26.847 1.00 1.50 H new ATOM 0 HA LEU A 75 -5.381 -17.186 -26.526 1.00 52.20 H new ATOM 0 HB2 LEU A 75 -5.947 -18.548 -28.630 1.00 40.23 H new ATOM 0 HB3 LEU A 75 -7.633 -18.286 -28.231 1.00 40.23 H new ATOM 0 HG LEU A 75 -5.912 -15.862 -28.381 1.00 0.22 H new ATOM 0 HD11 LEU A 75 -6.102 -15.775 -30.836 1.00 2.42 H new ATOM 0 HD12 LEU A 75 -5.108 -17.150 -30.298 1.00 2.42 H new ATOM 0 HD13 LEU A 75 -6.783 -17.420 -30.837 1.00 2.42 H new ATOM 0 HD21 LEU A 75 -7.944 -14.938 -29.428 1.00 72.43 H new ATOM 0 HD22 LEU A 75 -8.699 -16.549 -29.371 1.00 72.43 H new ATOM 0 HD23 LEU A 75 -8.297 -15.701 -27.859 1.00 72.43 H new ATOM 1178 N ARG A 76 -8.424 -17.960 -25.544 1.00 44.24 N ATOM 1179 CA ARG A 76 -9.574 -17.472 -24.792 1.00 73.43 C ATOM 1180 C ARG A 76 -9.133 -16.817 -23.487 1.00 25.43 C ATOM 1181 O ARG A 76 -9.478 -15.669 -23.209 1.00 4.23 O ATOM 1182 CB ARG A 76 -10.542 -18.620 -24.499 1.00 15.15 C ATOM 1183 CG ARG A 76 -11.884 -18.479 -25.196 1.00 55.51 C ATOM 1184 CD ARG A 76 -13.031 -18.449 -24.197 1.00 1.55 C ATOM 1185 NE ARG A 76 -13.104 -19.676 -23.409 1.00 23.44 N ATOM 1186 CZ ARG A 76 -13.481 -20.848 -23.909 1.00 1.42 C ATOM 1187 NH1 ARG A 76 -13.817 -20.950 -25.188 1.00 33.12 N ATOM 1188 NH2 ARG A 76 -13.522 -21.921 -23.129 1.00 10.14 N ATOM 0 H ARG A 76 -8.470 -18.949 -25.791 1.00 44.24 H new ATOM 0 HA ARG A 76 -10.083 -16.723 -25.399 1.00 73.43 H new ATOM 0 HB2 ARG A 76 -10.081 -19.559 -24.804 1.00 15.15 H new ATOM 0 HB3 ARG A 76 -10.706 -18.680 -23.423 1.00 15.15 H new ATOM 0 HG2 ARG A 76 -11.893 -17.565 -25.789 1.00 55.51 H new ATOM 0 HG3 ARG A 76 -12.025 -19.309 -25.888 1.00 55.51 H new ATOM 0 HD2 ARG A 76 -12.908 -17.596 -23.529 1.00 1.55 H new ATOM 0 HD3 ARG A 76 -13.971 -18.304 -24.729 1.00 1.55 H new ATOM 0 HE ARG A 76 -12.852 -19.631 -22.422 1.00 23.44 H new ATOM 0 HH11 ARG A 76 -13.786 -20.128 -25.791 1.00 33.12 H new ATOM 0 HH12 ARG A 76 -14.106 -21.851 -25.569 1.00 33.12 H new ATOM 0 HH21 ARG A 76 -13.264 -21.846 -22.145 1.00 10.14 H new ATOM 0 HH22 ARG A 76 -13.812 -22.820 -23.514 1.00 10.14 H new ATOM 1202 N SER A 77 -8.369 -17.556 -22.689 1.00 21.42 N ATOM 1203 CA SER A 77 -7.884 -17.049 -21.410 1.00 64.51 C ATOM 1204 C SER A 77 -7.088 -15.762 -21.604 1.00 14.32 C ATOM 1205 O SER A 77 -7.140 -14.855 -20.770 1.00 72.32 O ATOM 1206 CB SER A 77 -7.014 -18.101 -20.718 1.00 42.10 C ATOM 1207 OG SER A 77 -6.592 -19.096 -21.633 1.00 34.54 O ATOM 0 H SER A 77 -8.072 -18.508 -22.905 1.00 21.42 H new ATOM 0 HA SER A 77 -8.747 -16.831 -20.781 1.00 64.51 H new ATOM 0 HB2 SER A 77 -6.143 -17.621 -20.271 1.00 42.10 H new ATOM 0 HB3 SER A 77 -7.575 -18.564 -19.906 1.00 42.10 H new ATOM 0 HG SER A 77 -6.218 -18.669 -22.432 1.00 34.54 H new ATOM 1213 N LEU A 78 -6.353 -15.688 -22.707 1.00 12.21 N ATOM 1214 CA LEU A 78 -5.545 -14.511 -23.011 1.00 72.11 C ATOM 1215 C LEU A 78 -6.420 -13.269 -23.135 1.00 2.41 C ATOM 1216 O LEU A 78 -6.217 -12.281 -22.428 1.00 54.43 O ATOM 1217 CB LEU A 78 -4.761 -14.728 -24.306 1.00 34.51 C ATOM 1218 CG LEU A 78 -3.273 -15.044 -24.144 1.00 2.40 C ATOM 1219 CD1 LEU A 78 -2.573 -13.936 -23.373 1.00 1.21 C ATOM 1220 CD2 LEU A 78 -3.085 -16.383 -23.446 1.00 43.13 C ATOM 0 H LEU A 78 -6.299 -16.428 -23.406 1.00 12.21 H new ATOM 0 HA LEU A 78 -4.844 -14.359 -22.190 1.00 72.11 H new ATOM 0 HB2 LEU A 78 -5.228 -15.544 -24.857 1.00 34.51 H new ATOM 0 HB3 LEU A 78 -4.857 -13.833 -24.920 1.00 34.51 H new ATOM 0 HG LEU A 78 -2.825 -15.108 -25.135 1.00 2.40 H new ATOM 0 HD11 LEU A 78 -1.515 -14.178 -23.268 1.00 1.21 H new ATOM 0 HD12 LEU A 78 -2.678 -12.995 -23.913 1.00 1.21 H new ATOM 0 HD13 LEU A 78 -3.023 -13.840 -22.385 1.00 1.21 H new ATOM 0 HD21 LEU A 78 -2.020 -16.591 -23.339 1.00 43.13 H new ATOM 0 HD22 LEU A 78 -3.548 -16.348 -22.460 1.00 43.13 H new ATOM 0 HD23 LEU A 78 -3.551 -17.171 -24.038 1.00 43.13 H new ATOM 1232 N TYR A 79 -7.395 -13.325 -24.036 1.00 4.21 N ATOM 1233 CA TYR A 79 -8.300 -12.202 -24.253 1.00 62.21 C ATOM 1234 C TYR A 79 -8.947 -11.763 -22.943 1.00 74.42 C ATOM 1235 O TYR A 79 -9.306 -10.599 -22.776 1.00 11.23 O ATOM 1236 CB TYR A 79 -9.381 -12.582 -25.266 1.00 73.15 C ATOM 1237 CG TYR A 79 -10.057 -11.390 -25.906 1.00 40.31 C ATOM 1238 CD1 TYR A 79 -9.316 -10.423 -26.576 1.00 34.33 C ATOM 1239 CD2 TYR A 79 -11.436 -11.229 -25.840 1.00 3.12 C ATOM 1240 CE1 TYR A 79 -9.929 -9.332 -27.161 1.00 33.35 C ATOM 1241 CE2 TYR A 79 -12.057 -10.143 -26.424 1.00 44.42 C ATOM 1242 CZ TYR A 79 -11.299 -9.196 -27.082 1.00 65.23 C ATOM 1243 OH TYR A 79 -11.914 -8.111 -27.664 1.00 73.42 O ATOM 0 H TYR A 79 -7.579 -14.135 -24.627 1.00 4.21 H new ATOM 0 HA TYR A 79 -7.718 -11.369 -24.647 1.00 62.21 H new ATOM 0 HB2 TYR A 79 -8.935 -13.199 -26.046 1.00 73.15 H new ATOM 0 HB3 TYR A 79 -10.135 -13.193 -24.769 1.00 73.15 H new ATOM 0 HD1 TYR A 79 -8.243 -10.527 -26.640 1.00 34.33 H new ATOM 0 HD2 TYR A 79 -12.032 -11.966 -25.323 1.00 3.12 H new ATOM 0 HE1 TYR A 79 -9.339 -8.590 -27.677 1.00 33.35 H new ATOM 0 HE2 TYR A 79 -13.130 -10.035 -26.366 1.00 44.42 H new ATOM 0 HH TYR A 79 -12.882 -8.166 -27.518 1.00 73.42 H new ATOM 1253 N ASN A 80 -9.091 -12.705 -22.017 1.00 11.44 N ATOM 1254 CA ASN A 80 -9.694 -12.417 -20.720 1.00 23.23 C ATOM 1255 C ASN A 80 -8.730 -11.633 -19.835 1.00 11.04 C ATOM 1256 O ASN A 80 -9.053 -10.546 -19.355 1.00 43.30 O ATOM 1257 CB ASN A 80 -10.101 -13.717 -20.024 1.00 40.14 C ATOM 1258 CG ASN A 80 -11.606 -13.906 -19.989 1.00 3.04 C ATOM 1259 OD1 ASN A 80 -12.203 -14.031 -18.919 1.00 24.32 O ATOM 1260 ND2 ASN A 80 -12.227 -13.929 -21.163 1.00 4.00 N ATOM 0 H ASN A 80 -8.799 -13.674 -22.140 1.00 11.44 H new ATOM 0 HA ASN A 80 -10.583 -11.809 -20.887 1.00 23.23 H new ATOM 0 HB2 ASN A 80 -9.643 -14.561 -20.540 1.00 40.14 H new ATOM 0 HB3 ASN A 80 -9.713 -13.718 -19.005 1.00 40.14 H new ATOM 0 HD21 ASN A 80 -13.239 -14.054 -21.203 1.00 4.00 H new ATOM 0 HD22 ASN A 80 -11.692 -13.822 -22.025 1.00 4.00 H new ATOM 1267 N THR A 81 -7.543 -12.192 -19.621 1.00 22.10 N ATOM 1268 CA THR A 81 -6.531 -11.547 -18.794 1.00 33.11 C ATOM 1269 C THR A 81 -6.106 -10.209 -19.388 1.00 3.12 C ATOM 1270 O THR A 81 -6.107 -9.186 -18.702 1.00 70.04 O ATOM 1271 CB THR A 81 -5.288 -12.441 -18.626 1.00 24.22 C ATOM 1272 OG1 THR A 81 -5.685 -13.771 -18.274 1.00 63.53 O ATOM 1273 CG2 THR A 81 -4.360 -11.883 -17.557 1.00 63.45 C ATOM 0 H THR A 81 -7.259 -13.091 -20.010 1.00 22.10 H new ATOM 0 HA THR A 81 -6.982 -11.380 -17.816 1.00 33.11 H new ATOM 0 HB THR A 81 -4.752 -12.462 -19.575 1.00 24.22 H new ATOM 0 HG1 THR A 81 -6.015 -14.236 -19.071 1.00 63.53 H new ATOM 0 HG21 THR A 81 -3.490 -12.531 -17.456 1.00 63.45 H new ATOM 0 HG22 THR A 81 -4.036 -10.882 -17.843 1.00 63.45 H new ATOM 0 HG23 THR A 81 -4.889 -11.835 -16.605 1.00 63.45 H new ATOM 1281 N ILE A 82 -5.742 -10.224 -20.665 1.00 63.42 N ATOM 1282 CA ILE A 82 -5.316 -9.010 -21.352 1.00 34.25 C ATOM 1283 C ILE A 82 -6.368 -7.913 -21.233 1.00 23.14 C ATOM 1284 O ILE A 82 -6.049 -6.726 -21.288 1.00 61.04 O ATOM 1285 CB ILE A 82 -5.033 -9.276 -22.842 1.00 31.50 C ATOM 1286 CG1 ILE A 82 -3.959 -10.357 -22.996 1.00 42.54 C ATOM 1287 CG2 ILE A 82 -4.604 -7.993 -23.538 1.00 14.33 C ATOM 1288 CD1 ILE A 82 -3.917 -10.974 -24.377 1.00 11.33 C ATOM 0 H ILE A 82 -5.733 -11.063 -21.246 1.00 63.42 H new ATOM 0 HA ILE A 82 -4.396 -8.681 -20.869 1.00 34.25 H new ATOM 0 HB ILE A 82 -5.950 -9.632 -23.312 1.00 31.50 H new ATOM 0 HG12 ILE A 82 -2.984 -9.924 -22.770 1.00 42.54 H new ATOM 0 HG13 ILE A 82 -4.137 -11.142 -22.261 1.00 42.54 H new ATOM 0 HG21 ILE A 82 -4.408 -8.198 -24.590 1.00 14.33 H new ATOM 0 HG22 ILE A 82 -5.398 -7.251 -23.455 1.00 14.33 H new ATOM 0 HG23 ILE A 82 -3.698 -7.609 -23.068 1.00 14.33 H new ATOM 0 HD11 ILE A 82 -3.134 -11.731 -24.414 1.00 11.33 H new ATOM 0 HD12 ILE A 82 -4.879 -11.436 -24.598 1.00 11.33 H new ATOM 0 HD13 ILE A 82 -3.708 -10.200 -25.115 1.00 11.33 H new ATOM 1300 N ALA A 83 -7.622 -8.319 -21.069 1.00 73.41 N ATOM 1301 CA ALA A 83 -8.721 -7.371 -20.939 1.00 14.41 C ATOM 1302 C ALA A 83 -8.711 -6.705 -19.567 1.00 5.44 C ATOM 1303 O ALA A 83 -8.619 -5.481 -19.461 1.00 75.21 O ATOM 1304 CB ALA A 83 -10.052 -8.068 -21.178 1.00 31.24 C ATOM 0 H ALA A 83 -7.902 -9.299 -21.023 1.00 73.41 H new ATOM 0 HA ALA A 83 -8.589 -6.595 -21.693 1.00 14.41 H new ATOM 0 HB1 ALA A 83 -10.863 -7.347 -21.077 1.00 31.24 H new ATOM 0 HB2 ALA A 83 -10.066 -8.492 -22.182 1.00 31.24 H new ATOM 0 HB3 ALA A 83 -10.182 -8.865 -20.446 1.00 31.24 H new ATOM 1310 N VAL A 84 -8.806 -7.516 -18.519 1.00 0.01 N ATOM 1311 CA VAL A 84 -8.807 -7.005 -17.153 1.00 64.02 C ATOM 1312 C VAL A 84 -7.547 -6.196 -16.867 1.00 63.25 C ATOM 1313 O VAL A 84 -7.589 -5.188 -16.162 1.00 53.43 O ATOM 1314 CB VAL A 84 -8.915 -8.147 -16.126 1.00 12.31 C ATOM 1315 CG1 VAL A 84 -9.073 -7.588 -14.720 1.00 63.51 C ATOM 1316 CG2 VAL A 84 -10.073 -9.070 -16.476 1.00 33.03 C ATOM 0 H VAL A 84 -8.883 -8.531 -18.589 1.00 0.01 H new ATOM 0 HA VAL A 84 -9.679 -6.358 -17.059 1.00 64.02 H new ATOM 0 HB VAL A 84 -7.994 -8.729 -16.157 1.00 12.31 H new ATOM 0 HG11 VAL A 84 -9.148 -8.410 -14.008 1.00 63.51 H new ATOM 0 HG12 VAL A 84 -8.208 -6.972 -14.474 1.00 63.51 H new ATOM 0 HG13 VAL A 84 -9.977 -6.981 -14.669 1.00 63.51 H new ATOM 0 HG21 VAL A 84 -10.135 -9.871 -15.740 1.00 33.03 H new ATOM 0 HG22 VAL A 84 -11.004 -8.503 -16.474 1.00 33.03 H new ATOM 0 HG23 VAL A 84 -9.911 -9.498 -17.465 1.00 33.03 H new ATOM 1326 N LEU A 85 -6.425 -6.645 -17.422 1.00 55.52 N ATOM 1327 CA LEU A 85 -5.150 -5.962 -17.227 1.00 72.31 C ATOM 1328 C LEU A 85 -5.187 -4.560 -17.826 1.00 13.44 C ATOM 1329 O LEU A 85 -4.916 -3.575 -17.139 1.00 42.40 O ATOM 1330 CB LEU A 85 -4.016 -6.770 -17.861 1.00 4.01 C ATOM 1331 CG LEU A 85 -2.943 -7.287 -16.902 1.00 52.31 C ATOM 1332 CD1 LEU A 85 -2.890 -8.807 -16.930 1.00 2.43 C ATOM 1333 CD2 LEU A 85 -1.586 -6.697 -17.252 1.00 2.33 C ATOM 0 H LEU A 85 -6.373 -7.477 -18.009 1.00 55.52 H new ATOM 0 HA LEU A 85 -4.972 -5.875 -16.155 1.00 72.31 H new ATOM 0 HB2 LEU A 85 -4.451 -7.623 -18.381 1.00 4.01 H new ATOM 0 HB3 LEU A 85 -3.532 -6.149 -18.615 1.00 4.01 H new ATOM 0 HG LEU A 85 -3.203 -6.972 -15.892 1.00 52.31 H new ATOM 0 HD11 LEU A 85 -2.121 -9.157 -16.242 1.00 2.43 H new ATOM 0 HD12 LEU A 85 -3.857 -9.210 -16.629 1.00 2.43 H new ATOM 0 HD13 LEU A 85 -2.654 -9.144 -17.939 1.00 2.43 H new ATOM 0 HD21 LEU A 85 -0.835 -7.076 -16.559 1.00 2.33 H new ATOM 0 HD22 LEU A 85 -1.317 -6.981 -18.269 1.00 2.33 H new ATOM 0 HD23 LEU A 85 -1.632 -5.610 -17.179 1.00 2.33 H new ATOM 1345 N TYR A 86 -5.526 -4.477 -19.107 1.00 30.54 N ATOM 1346 CA TYR A 86 -5.597 -3.196 -19.797 1.00 50.42 C ATOM 1347 C TYR A 86 -6.469 -2.210 -19.026 1.00 45.53 C ATOM 1348 O TYR A 86 -6.086 -1.058 -18.815 1.00 1.25 O ATOM 1349 CB TYR A 86 -6.150 -3.384 -21.211 1.00 51.22 C ATOM 1350 CG TYR A 86 -6.448 -2.084 -21.924 1.00 12.52 C ATOM 1351 CD1 TYR A 86 -7.679 -1.456 -21.778 1.00 44.22 C ATOM 1352 CD2 TYR A 86 -5.499 -1.484 -22.742 1.00 0.43 C ATOM 1353 CE1 TYR A 86 -7.956 -0.268 -22.428 1.00 21.10 C ATOM 1354 CE2 TYR A 86 -5.767 -0.296 -23.394 1.00 1.22 C ATOM 1355 CZ TYR A 86 -6.997 0.307 -23.234 1.00 4.44 C ATOM 1356 OH TYR A 86 -7.267 1.491 -23.882 1.00 61.31 O ATOM 0 H TYR A 86 -5.756 -5.283 -19.689 1.00 30.54 H new ATOM 0 HA TYR A 86 -4.587 -2.790 -19.860 1.00 50.42 H new ATOM 0 HB2 TYR A 86 -5.432 -3.955 -21.800 1.00 51.22 H new ATOM 0 HB3 TYR A 86 -7.063 -3.977 -21.159 1.00 51.22 H new ATOM 0 HD1 TYR A 86 -8.432 -1.904 -21.146 1.00 44.22 H new ATOM 0 HD2 TYR A 86 -4.535 -1.954 -22.870 1.00 0.43 H new ATOM 0 HE1 TYR A 86 -8.918 0.207 -22.305 1.00 21.10 H new ATOM 0 HE2 TYR A 86 -5.018 0.158 -24.025 1.00 1.22 H new ATOM 0 HH TYR A 86 -6.486 1.761 -24.408 1.00 61.31 H new ATOM 1366 N CYS A 87 -7.643 -2.668 -18.608 1.00 75.53 N ATOM 1367 CA CYS A 87 -8.571 -1.829 -17.859 1.00 1.31 C ATOM 1368 C CYS A 87 -7.911 -1.279 -16.598 1.00 74.54 C ATOM 1369 O CYS A 87 -7.917 -0.073 -16.357 1.00 40.24 O ATOM 1370 CB CYS A 87 -9.825 -2.622 -17.489 1.00 1.04 C ATOM 1371 SG CYS A 87 -11.143 -2.537 -18.724 1.00 74.42 S ATOM 0 H CYS A 87 -7.975 -3.618 -18.775 1.00 75.53 H new ATOM 0 HA CYS A 87 -8.856 -0.990 -18.494 1.00 1.31 H new ATOM 0 HB2 CYS A 87 -9.550 -3.666 -17.338 1.00 1.04 H new ATOM 0 HB3 CYS A 87 -10.208 -2.252 -16.538 1.00 1.04 H new ATOM 0 HG CYS A 87 -12.293 -2.436 -18.126 1.00 74.42 H new ATOM 1377 N VAL A 88 -7.343 -2.174 -15.796 1.00 53.44 N ATOM 1378 CA VAL A 88 -6.680 -1.780 -14.559 1.00 63.12 C ATOM 1379 C VAL A 88 -5.594 -0.743 -14.825 1.00 22.03 C ATOM 1380 O VAL A 88 -5.401 0.185 -14.039 1.00 13.24 O ATOM 1381 CB VAL A 88 -6.052 -2.993 -13.848 1.00 55.43 C ATOM 1382 CG1 VAL A 88 -5.341 -2.557 -12.576 1.00 20.44 C ATOM 1383 CG2 VAL A 88 -7.114 -4.039 -13.542 1.00 53.01 C ATOM 0 H VAL A 88 -7.329 -3.177 -15.981 1.00 53.44 H new ATOM 0 HA VAL A 88 -7.444 -1.346 -13.914 1.00 63.12 H new ATOM 0 HB VAL A 88 -5.314 -3.440 -14.514 1.00 55.43 H new ATOM 0 HG11 VAL A 88 -4.903 -3.427 -12.087 1.00 20.44 H new ATOM 0 HG12 VAL A 88 -4.553 -1.846 -12.825 1.00 20.44 H new ATOM 0 HG13 VAL A 88 -6.056 -2.084 -11.903 1.00 20.44 H new ATOM 0 HG21 VAL A 88 -6.653 -4.889 -13.040 1.00 53.01 H new ATOM 0 HG22 VAL A 88 -7.876 -3.605 -12.895 1.00 53.01 H new ATOM 0 HG23 VAL A 88 -7.574 -4.373 -14.472 1.00 53.01 H new ATOM 1393 N HIS A 89 -4.887 -0.906 -15.938 1.00 65.32 N ATOM 1394 CA HIS A 89 -3.820 0.017 -16.310 1.00 3.34 C ATOM 1395 C HIS A 89 -4.390 1.383 -16.682 1.00 2.11 C ATOM 1396 O HIS A 89 -3.662 2.362 -16.517 1.00 53.35 O ATOM 1397 CB HIS A 89 -3.013 -0.547 -17.480 1.00 53.12 C ATOM 1398 CG HIS A 89 -1.984 -1.555 -17.067 1.00 44.44 C ATOM 1399 ND1 HIS A 89 -1.291 -1.479 -15.877 1.00 41.15 N ATOM 1400 CD2 HIS A 89 -1.531 -2.665 -17.694 1.00 54.15 C ATOM 1401 CE1 HIS A 89 -0.458 -2.500 -15.791 1.00 12.23 C ATOM 1402 NE2 HIS A 89 -0.586 -3.236 -16.880 1.00 3.15 N ATOM 0 H HIS A 89 -5.033 -1.669 -16.599 1.00 65.32 H new ATOM 0 HA HIS A 89 -3.162 0.138 -15.450 1.00 3.34 H new ATOM 0 HB2 HIS A 89 -3.696 -1.009 -18.193 1.00 53.12 H new ATOM 0 HB3 HIS A 89 -2.518 0.274 -17.999 1.00 53.12 H new ATOM 0 HD2 HIS A 89 -1.854 -3.033 -18.657 1.00 54.15 H new ATOM 0 HE1 HIS A 89 0.214 -2.699 -14.969 1.00 12.23 H new ATOM 0 HE2 HIS A 89 -0.067 -4.090 -17.083 1.00 3.15 H new ATOM 1411 N GLN A 90 -5.626 1.472 -17.161 1.00 61.21 N ATOM 1412 CA GLN A 90 -6.211 2.756 -17.530 1.00 73.25 C ATOM 1413 C GLN A 90 -7.054 3.317 -16.390 1.00 3.45 C ATOM 1414 O GLN A 90 -7.986 4.090 -16.616 1.00 30.22 O ATOM 1415 CB GLN A 90 -7.069 2.606 -18.788 1.00 33.42 C ATOM 1416 CG GLN A 90 -6.693 3.573 -19.900 1.00 15.55 C ATOM 1417 CD GLN A 90 -6.725 5.020 -19.450 1.00 53.42 C ATOM 1418 OE1 GLN A 90 -5.766 5.522 -18.864 1.00 33.10 O ATOM 1419 NE2 GLN A 90 -7.833 5.700 -19.722 1.00 72.12 N ATOM 0 H GLN A 90 -6.242 0.671 -17.303 1.00 61.21 H new ATOM 0 HA GLN A 90 -5.398 3.453 -17.734 1.00 73.25 H new ATOM 0 HB2 GLN A 90 -6.979 1.585 -19.160 1.00 33.42 H new ATOM 0 HB3 GLN A 90 -8.116 2.758 -18.524 1.00 33.42 H new ATOM 0 HG2 GLN A 90 -5.694 3.332 -20.264 1.00 15.55 H new ATOM 0 HG3 GLN A 90 -7.378 3.442 -20.738 1.00 15.55 H new ATOM 0 HE21 GLN A 90 -8.604 5.244 -20.210 1.00 72.12 H new ATOM 0 HE22 GLN A 90 -7.913 6.678 -19.443 1.00 72.12 H new ATOM 1428 N ARG A 91 -6.720 2.925 -15.165 1.00 31.51 N ATOM 1429 CA ARG A 91 -7.448 3.388 -13.989 1.00 20.13 C ATOM 1430 C ARG A 91 -8.928 3.034 -14.091 1.00 31.21 C ATOM 1431 O ARG A 91 -9.786 3.758 -13.585 1.00 20.53 O ATOM 1432 CB ARG A 91 -7.284 4.900 -13.825 1.00 22.31 C ATOM 1433 CG ARG A 91 -7.117 5.342 -12.381 1.00 75.50 C ATOM 1434 CD ARG A 91 -5.790 6.051 -12.164 1.00 63.10 C ATOM 1435 NE ARG A 91 -5.937 7.504 -12.178 1.00 41.21 N ATOM 1436 CZ ARG A 91 -6.558 8.189 -11.224 1.00 23.12 C ATOM 1437 NH1 ARG A 91 -7.085 7.556 -10.185 1.00 3.21 N ATOM 1438 NH2 ARG A 91 -6.651 9.510 -11.308 1.00 40.41 N ATOM 0 H ARG A 91 -5.950 2.288 -14.961 1.00 31.51 H new ATOM 0 HA ARG A 91 -7.032 2.887 -13.115 1.00 20.13 H new ATOM 0 HB2 ARG A 91 -6.417 5.227 -14.399 1.00 22.31 H new ATOM 0 HB3 ARG A 91 -8.154 5.399 -14.250 1.00 22.31 H new ATOM 0 HG2 ARG A 91 -7.935 6.008 -12.106 1.00 75.50 H new ATOM 0 HG3 ARG A 91 -7.178 4.474 -11.725 1.00 75.50 H new ATOM 0 HD2 ARG A 91 -5.364 5.739 -11.210 1.00 63.10 H new ATOM 0 HD3 ARG A 91 -5.087 5.750 -12.941 1.00 63.10 H new ATOM 0 HE ARG A 91 -5.541 8.021 -12.963 1.00 41.21 H new ATOM 0 HH11 ARG A 91 -7.014 6.541 -10.117 1.00 3.21 H new ATOM 0 HH12 ARG A 91 -7.561 8.084 -9.454 1.00 3.21 H new ATOM 0 HH21 ARG A 91 -6.246 10.000 -12.105 1.00 40.41 H new ATOM 0 HH22 ARG A 91 -7.128 10.035 -10.575 1.00 40.41 H new ATOM 1452 N ILE A 92 -9.220 1.917 -14.749 1.00 51.21 N ATOM 1453 CA ILE A 92 -10.597 1.467 -14.917 1.00 3.31 C ATOM 1454 C ILE A 92 -10.956 0.403 -13.886 1.00 61.32 C ATOM 1455 O ILE A 92 -10.282 -0.622 -13.775 1.00 62.24 O ATOM 1456 CB ILE A 92 -10.836 0.900 -16.329 1.00 30.13 C ATOM 1457 CG1 ILE A 92 -10.456 1.936 -17.389 1.00 14.34 C ATOM 1458 CG2 ILE A 92 -12.288 0.477 -16.491 1.00 13.35 C ATOM 1459 CD1 ILE A 92 -10.381 1.368 -18.789 1.00 43.45 C ATOM 0 H ILE A 92 -8.522 1.307 -15.174 1.00 51.21 H new ATOM 0 HA ILE A 92 -11.234 2.339 -14.773 1.00 3.31 H new ATOM 0 HB ILE A 92 -10.205 0.022 -16.464 1.00 30.13 H new ATOM 0 HG12 ILE A 92 -11.186 2.745 -17.373 1.00 14.34 H new ATOM 0 HG13 ILE A 92 -9.491 2.372 -17.130 1.00 14.34 H new ATOM 0 HG21 ILE A 92 -12.441 0.078 -17.494 1.00 13.35 H new ATOM 0 HG22 ILE A 92 -12.528 -0.290 -15.755 1.00 13.35 H new ATOM 0 HG23 ILE A 92 -12.937 1.340 -16.340 1.00 13.35 H new ATOM 0 HD11 ILE A 92 -10.107 2.158 -19.488 1.00 43.45 H new ATOM 0 HD12 ILE A 92 -9.630 0.578 -18.822 1.00 43.45 H new ATOM 0 HD13 ILE A 92 -11.352 0.958 -19.068 1.00 43.45 H new ATOM 1471 N ASP A 93 -12.024 0.651 -13.136 1.00 33.54 N ATOM 1472 CA ASP A 93 -12.477 -0.288 -12.115 1.00 24.45 C ATOM 1473 C ASP A 93 -13.521 -1.244 -12.681 1.00 71.23 C ATOM 1474 O ASP A 93 -14.613 -0.828 -13.071 1.00 30.54 O ATOM 1475 CB ASP A 93 -13.053 0.467 -10.917 1.00 51.25 C ATOM 1476 CG ASP A 93 -13.755 -0.453 -9.937 1.00 4.44 C ATOM 1477 OD1 ASP A 93 -13.237 -1.562 -9.689 1.00 15.24 O ATOM 1478 OD2 ASP A 93 -14.820 -0.062 -9.416 1.00 42.35 O ATOM 0 H ASP A 93 -12.593 1.494 -13.215 1.00 33.54 H new ATOM 0 HA ASP A 93 -11.617 -0.872 -11.786 1.00 24.45 H new ATOM 0 HB2 ASP A 93 -12.250 0.995 -10.404 1.00 51.25 H new ATOM 0 HB3 ASP A 93 -13.756 1.221 -11.270 1.00 51.25 H new ATOM 1483 N VAL A 94 -13.179 -2.528 -12.725 1.00 31.02 N ATOM 1484 CA VAL A 94 -14.087 -3.544 -13.244 1.00 74.12 C ATOM 1485 C VAL A 94 -14.398 -4.596 -12.185 1.00 12.41 C ATOM 1486 O VAL A 94 -13.587 -4.859 -11.298 1.00 2.45 O ATOM 1487 CB VAL A 94 -13.500 -4.240 -14.486 1.00 33.31 C ATOM 1488 CG1 VAL A 94 -13.471 -3.286 -15.670 1.00 10.25 C ATOM 1489 CG2 VAL A 94 -12.108 -4.777 -14.187 1.00 42.34 C ATOM 0 H VAL A 94 -12.280 -2.889 -12.407 1.00 31.02 H new ATOM 0 HA VAL A 94 -15.007 -3.032 -13.525 1.00 74.12 H new ATOM 0 HB VAL A 94 -14.141 -5.082 -14.746 1.00 33.31 H new ATOM 0 HG11 VAL A 94 -13.053 -3.796 -16.538 1.00 10.25 H new ATOM 0 HG12 VAL A 94 -14.485 -2.956 -15.896 1.00 10.25 H new ATOM 0 HG13 VAL A 94 -12.854 -2.421 -15.425 1.00 10.25 H new ATOM 0 HG21 VAL A 94 -11.708 -5.266 -15.075 1.00 42.34 H new ATOM 0 HG22 VAL A 94 -11.454 -3.953 -13.900 1.00 42.34 H new ATOM 0 HG23 VAL A 94 -12.163 -5.497 -13.371 1.00 42.34 H new ATOM 1499 N LYS A 95 -15.580 -5.195 -12.283 1.00 52.45 N ATOM 1500 CA LYS A 95 -16.000 -6.220 -11.334 1.00 44.12 C ATOM 1501 C LYS A 95 -15.600 -7.609 -11.822 1.00 1.21 C ATOM 1502 O LYS A 95 -15.411 -8.527 -11.024 1.00 72.03 O ATOM 1503 CB LYS A 95 -17.515 -6.158 -11.124 1.00 35.43 C ATOM 1504 CG LYS A 95 -17.929 -5.310 -9.934 1.00 11.23 C ATOM 1505 CD LYS A 95 -19.172 -5.865 -9.259 1.00 12.34 C ATOM 1506 CE LYS A 95 -19.311 -5.347 -7.835 1.00 43.31 C ATOM 1507 NZ LYS A 95 -20.681 -4.833 -7.564 1.00 55.43 N ATOM 0 H LYS A 95 -16.265 -4.988 -13.010 1.00 52.45 H new ATOM 0 HA LYS A 95 -15.499 -6.029 -10.385 1.00 44.12 H new ATOM 0 HB2 LYS A 95 -17.982 -5.759 -12.024 1.00 35.43 H new ATOM 0 HB3 LYS A 95 -17.897 -7.170 -10.989 1.00 35.43 H new ATOM 0 HG2 LYS A 95 -17.111 -5.268 -9.214 1.00 11.23 H new ATOM 0 HG3 LYS A 95 -18.118 -4.288 -10.263 1.00 11.23 H new ATOM 0 HD2 LYS A 95 -20.055 -5.589 -9.836 1.00 12.34 H new ATOM 0 HD3 LYS A 95 -19.126 -6.954 -9.248 1.00 12.34 H new ATOM 0 HE2 LYS A 95 -19.078 -6.147 -7.133 1.00 43.31 H new ATOM 0 HE3 LYS A 95 -18.585 -4.552 -7.665 1.00 43.31 H new ATOM 0 HZ1 LYS A 95 -20.735 -4.489 -6.584 1.00 55.43 H new ATOM 0 HZ2 LYS A 95 -20.894 -4.052 -8.217 1.00 55.43 H new ATOM 0 HZ3 LYS A 95 -21.372 -5.598 -7.701 1.00 55.43 H new ATOM 1521 N ASP A 96 -15.471 -7.755 -13.137 1.00 55.33 N ATOM 1522 CA ASP A 96 -15.091 -9.032 -13.730 1.00 5.11 C ATOM 1523 C ASP A 96 -14.445 -8.824 -15.097 1.00 53.11 C ATOM 1524 O ASP A 96 -14.248 -7.691 -15.537 1.00 33.21 O ATOM 1525 CB ASP A 96 -16.314 -9.941 -13.862 1.00 22.44 C ATOM 1526 CG ASP A 96 -17.533 -9.201 -14.374 1.00 2.12 C ATOM 1527 OD1 ASP A 96 -17.655 -9.037 -15.606 1.00 22.31 O ATOM 1528 OD2 ASP A 96 -18.367 -8.786 -13.541 1.00 64.21 O ATOM 0 H ASP A 96 -15.624 -7.005 -13.812 1.00 55.33 H new ATOM 0 HA ASP A 96 -14.364 -9.509 -13.073 1.00 5.11 H new ATOM 0 HB2 ASP A 96 -16.081 -10.763 -14.539 1.00 22.44 H new ATOM 0 HB3 ASP A 96 -16.542 -10.382 -12.892 1.00 22.44 H new ATOM 1533 N THR A 97 -14.117 -9.927 -15.763 1.00 43.42 N ATOM 1534 CA THR A 97 -13.491 -9.866 -17.078 1.00 4.31 C ATOM 1535 C THR A 97 -14.530 -9.647 -18.172 1.00 74.03 C ATOM 1536 O THR A 97 -14.221 -9.122 -19.242 1.00 20.11 O ATOM 1537 CB THR A 97 -12.703 -11.153 -17.386 1.00 33.04 C ATOM 1538 OG1 THR A 97 -11.769 -11.418 -16.333 1.00 53.31 O ATOM 1539 CG2 THR A 97 -11.963 -11.032 -18.709 1.00 43.30 C ATOM 0 H THR A 97 -14.274 -10.872 -15.414 1.00 43.42 H new ATOM 0 HA THR A 97 -12.802 -9.022 -17.060 1.00 4.31 H new ATOM 0 HB THR A 97 -13.412 -11.978 -17.460 1.00 33.04 H new ATOM 0 HG1 THR A 97 -12.064 -12.202 -15.824 1.00 53.31 H new ATOM 0 HG21 THR A 97 -11.414 -11.953 -18.904 1.00 43.30 H new ATOM 0 HG22 THR A 97 -12.679 -10.859 -19.512 1.00 43.30 H new ATOM 0 HG23 THR A 97 -11.264 -10.197 -18.660 1.00 43.30 H new ATOM 1547 N LYS A 98 -15.766 -10.052 -17.897 1.00 25.51 N ATOM 1548 CA LYS A 98 -16.853 -9.899 -18.857 1.00 35.13 C ATOM 1549 C LYS A 98 -17.231 -8.430 -19.021 1.00 50.04 C ATOM 1550 O LYS A 98 -17.609 -7.995 -20.108 1.00 63.54 O ATOM 1551 CB LYS A 98 -18.074 -10.704 -18.407 1.00 44.43 C ATOM 1552 CG LYS A 98 -19.319 -10.436 -19.238 1.00 23.43 C ATOM 1553 CD LYS A 98 -20.022 -11.727 -19.620 1.00 73.41 C ATOM 1554 CE LYS A 98 -19.623 -12.189 -21.013 1.00 43.34 C ATOM 1555 NZ LYS A 98 -20.812 -12.489 -21.859 1.00 20.12 N ATOM 0 H LYS A 98 -16.040 -10.489 -17.017 1.00 25.51 H new ATOM 0 HA LYS A 98 -16.511 -10.277 -19.820 1.00 35.13 H new ATOM 0 HB2 LYS A 98 -17.836 -11.767 -18.456 1.00 44.43 H new ATOM 0 HB3 LYS A 98 -18.287 -10.473 -17.363 1.00 44.43 H new ATOM 0 HG2 LYS A 98 -20.003 -9.801 -18.676 1.00 23.43 H new ATOM 0 HG3 LYS A 98 -19.045 -9.889 -20.140 1.00 23.43 H new ATOM 0 HD2 LYS A 98 -19.778 -12.503 -18.895 1.00 73.41 H new ATOM 0 HD3 LYS A 98 -21.101 -11.580 -19.580 1.00 73.41 H new ATOM 0 HE2 LYS A 98 -19.021 -11.418 -21.493 1.00 43.34 H new ATOM 0 HE3 LYS A 98 -18.998 -13.079 -20.936 1.00 43.34 H new ATOM 0 HZ1 LYS A 98 -20.499 -12.801 -22.800 1.00 20.12 H new ATOM 0 HZ2 LYS A 98 -21.373 -13.243 -21.414 1.00 20.12 H new ATOM 0 HZ3 LYS A 98 -21.395 -11.633 -21.954 1.00 20.12 H new ATOM 1569 N GLU A 99 -17.125 -7.672 -17.934 1.00 43.31 N ATOM 1570 CA GLU A 99 -17.456 -6.251 -17.960 1.00 34.12 C ATOM 1571 C GLU A 99 -16.353 -5.449 -18.644 1.00 41.41 C ATOM 1572 O GLU A 99 -16.623 -4.612 -19.504 1.00 42.13 O ATOM 1573 CB GLU A 99 -17.674 -5.730 -16.537 1.00 22.41 C ATOM 1574 CG GLU A 99 -18.893 -4.834 -16.399 1.00 11.44 C ATOM 1575 CD GLU A 99 -18.836 -3.961 -15.160 1.00 43.23 C ATOM 1576 OE1 GLU A 99 -18.132 -2.931 -15.191 1.00 30.10 O ATOM 1577 OE2 GLU A 99 -19.498 -4.309 -14.160 1.00 35.04 O ATOM 0 H GLU A 99 -16.813 -8.017 -17.026 1.00 43.31 H new ATOM 0 HA GLU A 99 -18.377 -6.128 -18.529 1.00 34.12 H new ATOM 0 HB2 GLU A 99 -17.778 -6.578 -15.860 1.00 22.41 H new ATOM 0 HB3 GLU A 99 -16.789 -5.177 -16.222 1.00 22.41 H new ATOM 0 HG2 GLU A 99 -18.976 -4.201 -17.282 1.00 11.44 H new ATOM 0 HG3 GLU A 99 -19.791 -5.451 -16.364 1.00 11.44 H new ATOM 1584 N ALA A 100 -15.110 -5.709 -18.252 1.00 25.50 N ATOM 1585 CA ALA A 100 -13.966 -5.013 -18.828 1.00 1.13 C ATOM 1586 C ALA A 100 -13.993 -5.077 -20.352 1.00 74.52 C ATOM 1587 O ALA A 100 -13.650 -4.110 -21.031 1.00 1.32 O ATOM 1588 CB ALA A 100 -12.667 -5.601 -18.296 1.00 51.30 C ATOM 0 H ALA A 100 -14.870 -6.397 -17.538 1.00 25.50 H new ATOM 0 HA ALA A 100 -14.025 -3.965 -18.534 1.00 1.13 H new ATOM 0 HB1 ALA A 100 -11.821 -5.071 -18.735 1.00 51.30 H new ATOM 0 HB2 ALA A 100 -12.638 -5.496 -17.211 1.00 51.30 H new ATOM 0 HB3 ALA A 100 -12.610 -6.657 -18.560 1.00 51.30 H new ATOM 1594 N LEU A 101 -14.402 -6.225 -20.883 1.00 41.40 N ATOM 1595 CA LEU A 101 -14.474 -6.417 -22.328 1.00 13.55 C ATOM 1596 C LEU A 101 -15.458 -5.438 -22.959 1.00 51.30 C ATOM 1597 O LEU A 101 -15.242 -4.954 -24.070 1.00 14.33 O ATOM 1598 CB LEU A 101 -14.887 -7.853 -22.651 1.00 32.41 C ATOM 1599 CG LEU A 101 -13.885 -8.943 -22.265 1.00 73.24 C ATOM 1600 CD1 LEU A 101 -14.608 -10.242 -21.941 1.00 44.45 C ATOM 1601 CD2 LEU A 101 -12.874 -9.157 -23.382 1.00 51.43 C ATOM 0 H LEU A 101 -14.689 -7.036 -20.335 1.00 41.40 H new ATOM 0 HA LEU A 101 -13.485 -6.228 -22.745 1.00 13.55 H new ATOM 0 HB2 LEU A 101 -15.831 -8.060 -22.147 1.00 32.41 H new ATOM 0 HB3 LEU A 101 -15.075 -7.923 -23.722 1.00 32.41 H new ATOM 0 HG LEU A 101 -13.348 -8.618 -21.374 1.00 73.24 H new ATOM 0 HD11 LEU A 101 -13.880 -11.006 -21.669 1.00 44.45 H new ATOM 0 HD12 LEU A 101 -15.292 -10.080 -21.108 1.00 44.45 H new ATOM 0 HD13 LEU A 101 -15.171 -10.572 -22.814 1.00 44.45 H new ATOM 0 HD21 LEU A 101 -12.169 -9.936 -23.090 1.00 51.43 H new ATOM 0 HD22 LEU A 101 -13.394 -9.460 -24.291 1.00 51.43 H new ATOM 0 HD23 LEU A 101 -12.333 -8.229 -23.566 1.00 51.43 H new ATOM 1613 N ASP A 102 -16.539 -5.148 -22.241 1.00 60.44 N ATOM 1614 CA ASP A 102 -17.556 -4.225 -22.730 1.00 44.32 C ATOM 1615 C ASP A 102 -17.048 -2.787 -22.688 1.00 45.34 C ATOM 1616 O ASP A 102 -17.441 -1.954 -23.506 1.00 30.00 O ATOM 1617 CB ASP A 102 -18.833 -4.352 -21.898 1.00 43.23 C ATOM 1618 CG ASP A 102 -19.876 -5.223 -22.570 1.00 75.41 C ATOM 1619 OD1 ASP A 102 -20.064 -5.086 -23.796 1.00 65.24 O ATOM 1620 OD2 ASP A 102 -20.506 -6.043 -21.868 1.00 30.32 O ATOM 0 H ASP A 102 -16.733 -5.539 -21.319 1.00 60.44 H new ATOM 0 HA ASP A 102 -17.779 -4.483 -23.765 1.00 44.32 H new ATOM 0 HB2 ASP A 102 -18.588 -4.771 -20.922 1.00 43.23 H new ATOM 0 HB3 ASP A 102 -19.250 -3.360 -21.723 1.00 43.23 H new ATOM 1625 N LYS A 103 -16.174 -2.501 -21.730 1.00 11.44 N ATOM 1626 CA LYS A 103 -15.612 -1.164 -21.580 1.00 23.45 C ATOM 1627 C LYS A 103 -14.647 -0.849 -22.719 1.00 1.41 C ATOM 1628 O LYS A 103 -14.683 0.242 -23.290 1.00 64.34 O ATOM 1629 CB LYS A 103 -14.888 -1.040 -20.237 1.00 34.32 C ATOM 1630 CG LYS A 103 -15.768 -0.503 -19.120 1.00 23.35 C ATOM 1631 CD LYS A 103 -16.123 0.958 -19.344 1.00 22.55 C ATOM 1632 CE LYS A 103 -17.622 1.146 -19.514 1.00 55.02 C ATOM 1633 NZ LYS A 103 -17.939 2.241 -20.472 1.00 31.25 N ATOM 0 H LYS A 103 -15.839 -3.178 -21.045 1.00 11.44 H new ATOM 0 HA LYS A 103 -16.432 -0.447 -21.612 1.00 23.45 H new ATOM 0 HB2 LYS A 103 -14.505 -2.019 -19.948 1.00 34.32 H new ATOM 0 HB3 LYS A 103 -14.026 -0.383 -20.357 1.00 34.32 H new ATOM 0 HG2 LYS A 103 -16.681 -1.095 -19.058 1.00 23.35 H new ATOM 0 HG3 LYS A 103 -15.253 -0.611 -18.166 1.00 23.35 H new ATOM 0 HD2 LYS A 103 -15.774 1.552 -18.499 1.00 22.55 H new ATOM 0 HD3 LYS A 103 -15.606 1.328 -20.229 1.00 22.55 H new ATOM 0 HE2 LYS A 103 -18.067 0.215 -19.866 1.00 55.02 H new ATOM 0 HE3 LYS A 103 -18.072 1.368 -18.546 1.00 55.02 H new ATOM 0 HZ1 LYS A 103 -18.971 2.337 -20.560 1.00 31.25 H new ATOM 0 HZ2 LYS A 103 -17.536 3.134 -20.124 1.00 31.25 H new ATOM 0 HZ3 LYS A 103 -17.532 2.017 -21.402 1.00 31.25 H new ATOM 1647 N ILE A 104 -13.788 -1.809 -23.045 1.00 54.33 N ATOM 1648 CA ILE A 104 -12.817 -1.634 -24.117 1.00 4.30 C ATOM 1649 C ILE A 104 -13.504 -1.583 -25.477 1.00 4.02 C ATOM 1650 O ILE A 104 -13.067 -0.866 -26.378 1.00 74.23 O ATOM 1651 CB ILE A 104 -11.774 -2.766 -24.122 1.00 3.21 C ATOM 1652 CG1 ILE A 104 -11.054 -2.832 -22.774 1.00 71.32 C ATOM 1653 CG2 ILE A 104 -10.776 -2.560 -25.252 1.00 25.52 C ATOM 1654 CD1 ILE A 104 -10.180 -4.057 -22.616 1.00 0.22 C ATOM 0 H ILE A 104 -13.745 -2.717 -22.581 1.00 54.33 H new ATOM 0 HA ILE A 104 -12.310 -0.687 -23.933 1.00 4.30 H new ATOM 0 HB ILE A 104 -12.288 -3.713 -24.284 1.00 3.21 H new ATOM 0 HG12 ILE A 104 -10.440 -1.939 -22.655 1.00 71.32 H new ATOM 0 HG13 ILE A 104 -11.795 -2.818 -21.974 1.00 71.32 H new ATOM 0 HG21 ILE A 104 -10.044 -3.368 -25.243 1.00 25.52 H new ATOM 0 HG22 ILE A 104 -11.302 -2.558 -26.206 1.00 25.52 H new ATOM 0 HG23 ILE A 104 -10.265 -1.607 -25.117 1.00 25.52 H new ATOM 0 HD11 ILE A 104 -9.701 -4.038 -21.637 1.00 0.22 H new ATOM 0 HD12 ILE A 104 -10.792 -4.955 -22.703 1.00 0.22 H new ATOM 0 HD13 ILE A 104 -9.417 -4.062 -23.394 1.00 0.22 H new