USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 8 LYS NZ :NH3+ -153:sc= 1.2 (180deg=-0.0928) USER MOD Set 1.2: A 14 TYR OH : rot 165:sc= 0.288 USER MOD Set 2.1: A 5 TYR OH : rot -47:sc= 0.565 USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= 0.463 F(o=-0.28,f=1) USER MOD Single : A 1 VAL N :NH3+ 149:sc= -0.196 (180deg=-0.511) USER MOD Single : A 11 ASN : amide:sc= -2.16 K(o=-2.2,f=-10!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.17) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -84:sc= 0.708 USER MOD Single : A 29 ASN : amide:sc= 0.605 K(o=0.61,f=0) USER MOD Single : A 33 SER OG : rot 0:sc= 0.0817 USER MOD Single : A 35 TYR OH : rot -67:sc= 0.604 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.565 F(o=-3.2,f=-0.56) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.142 -0.384 0.294 1.00 10.41 N ATOM 2 CA VAL A 1 1.899 -0.333 -0.951 1.00 75.13 C ATOM 3 C VAL A 1 2.489 1.054 -1.180 1.00 30.32 C ATOM 4 O VAL A 1 1.995 2.046 -0.643 1.00 65.22 O ATOM 5 CB VAL A 1 1.019 -0.710 -2.158 1.00 53.41 C ATOM 6 CG1 VAL A 1 0.735 -2.204 -2.167 1.00 63.00 C ATOM 7 CG2 VAL A 1 -0.277 0.087 -2.141 1.00 72.03 C ATOM 0 H1 VAL A 1 0.364 -1.068 0.200 1.00 10.41 H new ATOM 0 H2 VAL A 1 1.769 -0.678 1.070 1.00 10.41 H new ATOM 0 H3 VAL A 1 0.752 0.557 0.502 1.00 10.41 H new ATOM 0 HA VAL A 1 2.708 -1.058 -0.859 1.00 75.13 H new ATOM 0 HB VAL A 1 1.560 -0.462 -3.071 1.00 53.41 H new ATOM 0 HG11 VAL A 1 0.112 -2.451 -3.027 1.00 63.00 H new ATOM 0 HG12 VAL A 1 1.675 -2.753 -2.230 1.00 63.00 H new ATOM 0 HG13 VAL A 1 0.214 -2.481 -1.250 1.00 63.00 H new ATOM 0 HG21 VAL A 1 -0.887 -0.192 -3.000 1.00 72.03 H new ATOM 0 HG22 VAL A 1 -0.824 -0.128 -1.223 1.00 72.03 H new ATOM 0 HG23 VAL A 1 -0.050 1.152 -2.187 1.00 72.03 H new ATOM 17 N ARG A 2 3.548 1.115 -1.980 1.00 42.31 N ATOM 18 CA ARG A 2 4.207 2.381 -2.279 1.00 60.04 C ATOM 19 C ARG A 2 4.955 2.304 -3.607 1.00 24.30 C ATOM 20 O ARG A 2 5.453 1.245 -3.990 1.00 31.42 O ATOM 21 CB ARG A 2 5.176 2.754 -1.156 1.00 64.13 C ATOM 22 CG ARG A 2 5.662 1.561 -0.350 1.00 25.30 C ATOM 23 CD ARG A 2 6.454 0.591 -1.213 1.00 23.42 C ATOM 24 NE ARG A 2 7.052 -0.483 -0.423 1.00 13.43 N ATOM 25 CZ ARG A 2 8.093 -1.201 -0.828 1.00 32.33 C ATOM 26 NH1 ARG A 2 8.649 -0.962 -2.007 1.00 60.22 N ATOM 27 NH2 ARG A 2 8.580 -2.161 -0.052 1.00 31.31 N ATOM 0 H ARG A 2 3.968 0.303 -2.433 1.00 42.31 H new ATOM 0 HA ARG A 2 3.440 3.151 -2.358 1.00 60.04 H new ATOM 0 HB2 ARG A 2 6.037 3.266 -1.586 1.00 64.13 H new ATOM 0 HB3 ARG A 2 4.687 3.460 -0.485 1.00 64.13 H new ATOM 0 HG2 ARG A 2 6.284 1.907 0.475 1.00 25.30 H new ATOM 0 HG3 ARG A 2 4.808 1.045 0.089 1.00 25.30 H new ATOM 0 HD2 ARG A 2 5.798 0.162 -1.971 1.00 23.42 H new ATOM 0 HD3 ARG A 2 7.239 1.133 -1.741 1.00 23.42 H new ATOM 0 HE ARG A 2 6.648 -0.693 0.490 1.00 13.43 H new ATOM 0 HH11 ARG A 2 8.277 -0.225 -2.606 1.00 60.22 H new ATOM 0 HH12 ARG A 2 9.449 -1.515 -2.315 1.00 60.22 H new ATOM 0 HH21 ARG A 2 8.155 -2.348 0.856 1.00 31.31 H new ATOM 0 HH22 ARG A 2 9.380 -2.712 -0.364 1.00 31.31 H new ATOM 41 N ASP A 3 5.030 3.432 -4.304 1.00 62.13 N ATOM 42 CA ASP A 3 5.718 3.493 -5.589 1.00 20.52 C ATOM 43 C ASP A 3 7.225 3.342 -5.406 1.00 0.01 C ATOM 44 O ASP A 3 7.764 3.643 -4.341 1.00 41.25 O ATOM 45 CB ASP A 3 5.407 4.812 -6.296 1.00 51.42 C ATOM 46 CG ASP A 3 4.008 5.314 -5.997 1.00 31.11 C ATOM 47 OD1 ASP A 3 3.081 4.480 -5.924 1.00 60.22 O ATOM 48 OD2 ASP A 3 3.840 6.540 -5.834 1.00 51.54 O ATOM 0 H ASP A 3 4.623 4.317 -4.001 1.00 62.13 H new ATOM 0 HA ASP A 3 5.360 2.667 -6.204 1.00 20.52 H new ATOM 0 HB2 ASP A 3 6.133 5.565 -5.990 1.00 51.42 H new ATOM 0 HB3 ASP A 3 5.520 4.679 -7.372 1.00 51.42 H new ATOM 53 N ALA A 4 7.899 2.873 -6.451 1.00 51.10 N ATOM 54 CA ALA A 4 9.343 2.683 -6.406 1.00 4.40 C ATOM 55 C ALA A 4 9.868 2.146 -7.733 1.00 22.20 C ATOM 56 O ALA A 4 9.115 1.997 -8.695 1.00 54.22 O ATOM 57 CB ALA A 4 9.717 1.744 -5.269 1.00 1.01 C ATOM 0 H ALA A 4 7.468 2.618 -7.339 1.00 51.10 H new ATOM 0 HA ALA A 4 9.807 3.653 -6.228 1.00 4.40 H new ATOM 0 HB1 ALA A 4 10.799 1.611 -5.248 1.00 1.01 H new ATOM 0 HB2 ALA A 4 9.385 2.169 -4.322 1.00 1.01 H new ATOM 0 HB3 ALA A 4 9.236 0.778 -5.422 1.00 1.01 H new ATOM 63 N TYR A 5 11.164 1.857 -7.778 1.00 31.33 N ATOM 64 CA TYR A 5 11.790 1.338 -8.988 1.00 51.53 C ATOM 65 C TYR A 5 11.845 -0.186 -8.963 1.00 42.03 C ATOM 66 O TYR A 5 12.818 -0.775 -8.492 1.00 22.12 O ATOM 67 CB TYR A 5 13.201 1.909 -9.142 1.00 70.41 C ATOM 68 CG TYR A 5 13.266 3.134 -10.026 1.00 20.24 C ATOM 69 CD1 TYR A 5 12.994 3.049 -11.386 1.00 22.33 C ATOM 70 CD2 TYR A 5 13.600 4.376 -9.501 1.00 42.20 C ATOM 71 CE1 TYR A 5 13.053 4.165 -12.197 1.00 41.21 C ATOM 72 CE2 TYR A 5 13.660 5.498 -10.305 1.00 10.24 C ATOM 73 CZ TYR A 5 13.386 5.388 -11.652 1.00 31.32 C ATOM 74 OH TYR A 5 13.446 6.503 -12.456 1.00 32.21 O ATOM 0 H TYR A 5 11.801 1.973 -6.990 1.00 31.33 H new ATOM 0 HA TYR A 5 11.185 1.647 -9.841 1.00 51.53 H new ATOM 0 HB2 TYR A 5 13.591 2.162 -8.156 1.00 70.41 H new ATOM 0 HB3 TYR A 5 13.852 1.139 -9.555 1.00 70.41 H new ATOM 0 HD1 TYR A 5 12.732 2.094 -11.816 1.00 22.33 H new ATOM 0 HD2 TYR A 5 13.816 4.466 -8.447 1.00 42.20 H new ATOM 0 HE1 TYR A 5 12.840 4.081 -13.252 1.00 41.21 H new ATOM 0 HE2 TYR A 5 13.920 6.456 -9.881 1.00 10.24 H new ATOM 0 HH TYR A 5 13.949 6.292 -13.270 1.00 32.21 H new ATOM 84 N ILE A 6 10.794 -0.818 -9.475 1.00 2.11 N ATOM 85 CA ILE A 6 10.723 -2.273 -9.513 1.00 71.24 C ATOM 86 C ILE A 6 11.922 -2.863 -10.248 1.00 22.25 C ATOM 87 O ILE A 6 12.412 -2.289 -11.220 1.00 35.12 O ATOM 88 CB ILE A 6 9.429 -2.756 -10.196 1.00 3.40 C ATOM 89 CG1 ILE A 6 9.462 -4.274 -10.384 1.00 53.33 C ATOM 90 CG2 ILE A 6 9.243 -2.054 -11.533 1.00 72.32 C ATOM 91 CD1 ILE A 6 8.100 -4.880 -10.644 1.00 2.53 C ATOM 0 H ILE A 6 9.981 -0.345 -9.869 1.00 2.11 H new ATOM 0 HA ILE A 6 10.729 -2.616 -8.478 1.00 71.24 H new ATOM 0 HB ILE A 6 8.582 -2.507 -9.556 1.00 3.40 H new ATOM 0 HG12 ILE A 6 10.123 -4.515 -11.217 1.00 53.33 H new ATOM 0 HG13 ILE A 6 9.891 -4.733 -9.493 1.00 53.33 H new ATOM 0 HG21 ILE A 6 8.325 -2.405 -12.004 1.00 72.32 H new ATOM 0 HG22 ILE A 6 9.180 -0.978 -11.373 1.00 72.32 H new ATOM 0 HG23 ILE A 6 10.091 -2.275 -12.181 1.00 72.32 H new ATOM 0 HD11 ILE A 6 8.199 -5.958 -10.767 1.00 2.53 H new ATOM 0 HD12 ILE A 6 7.442 -4.670 -9.801 1.00 2.53 H new ATOM 0 HD13 ILE A 6 7.677 -4.448 -11.551 1.00 2.53 H new ATOM 103 N ALA A 7 12.390 -4.014 -9.776 1.00 72.41 N ATOM 104 CA ALA A 7 13.529 -4.685 -10.390 1.00 4.30 C ATOM 105 C ALA A 7 13.484 -6.188 -10.136 1.00 41.33 C ATOM 106 O ALA A 7 12.625 -6.679 -9.404 1.00 55.14 O ATOM 107 CB ALA A 7 14.832 -4.098 -9.866 1.00 32.10 C ATOM 0 H ALA A 7 11.998 -4.501 -8.970 1.00 72.41 H new ATOM 0 HA ALA A 7 13.477 -4.524 -11.467 1.00 4.30 H new ATOM 0 HB1 ALA A 7 15.675 -4.608 -10.333 1.00 32.10 H new ATOM 0 HB2 ALA A 7 14.874 -3.035 -10.104 1.00 32.10 H new ATOM 0 HB3 ALA A 7 14.882 -4.230 -8.785 1.00 32.10 H new ATOM 113 N LYS A 8 14.414 -6.914 -10.746 1.00 65.23 N ATOM 114 CA LYS A 8 14.482 -8.362 -10.587 1.00 10.13 C ATOM 115 C LYS A 8 15.845 -8.787 -10.050 1.00 31.22 C ATOM 116 O LYS A 8 16.880 -8.218 -10.395 1.00 42.42 O ATOM 117 CB LYS A 8 14.209 -9.056 -11.923 1.00 62.20 C ATOM 118 CG LYS A 8 13.399 -8.213 -12.892 1.00 41.04 C ATOM 119 CD LYS A 8 12.924 -9.031 -14.081 1.00 63.43 C ATOM 120 CE LYS A 8 13.680 -8.663 -15.349 1.00 32.00 C ATOM 121 NZ LYS A 8 13.272 -9.511 -16.504 1.00 4.34 N ATOM 0 H LYS A 8 15.132 -6.523 -11.356 1.00 65.23 H new ATOM 0 HA LYS A 8 13.719 -8.660 -9.868 1.00 10.13 H new ATOM 0 HB2 LYS A 8 15.160 -9.317 -12.388 1.00 62.20 H new ATOM 0 HB3 LYS A 8 13.679 -9.990 -11.736 1.00 62.20 H new ATOM 0 HG2 LYS A 8 12.539 -7.788 -12.375 1.00 41.04 H new ATOM 0 HG3 LYS A 8 14.005 -7.377 -13.243 1.00 41.04 H new ATOM 0 HD2 LYS A 8 13.059 -10.092 -13.871 1.00 63.43 H new ATOM 0 HD3 LYS A 8 11.857 -8.869 -14.232 1.00 63.43 H new ATOM 0 HE2 LYS A 8 13.501 -7.614 -15.587 1.00 32.00 H new ATOM 0 HE3 LYS A 8 14.751 -8.773 -15.178 1.00 32.00 H new ATOM 0 HZ1 LYS A 8 14.058 -9.576 -17.182 1.00 4.34 H new ATOM 0 HZ2 LYS A 8 13.027 -10.464 -16.166 1.00 4.34 H new ATOM 0 HZ3 LYS A 8 12.446 -9.087 -16.972 1.00 4.34 H new ATOM 135 N PRO A 9 15.848 -9.813 -9.186 1.00 14.04 N ATOM 136 CA PRO A 9 17.077 -10.338 -8.584 1.00 60.45 C ATOM 137 C PRO A 9 17.955 -11.063 -9.599 1.00 75.32 C ATOM 138 O PRO A 9 17.473 -11.518 -10.636 1.00 40.02 O ATOM 139 CB PRO A 9 16.564 -11.317 -7.525 1.00 71.24 C ATOM 140 CG PRO A 9 15.220 -11.734 -8.014 1.00 55.41 C ATOM 141 CD PRO A 9 14.651 -10.539 -8.729 1.00 73.31 C ATOM 0 HA PRO A 9 17.705 -9.544 -8.181 1.00 60.45 H new ATOM 0 HB2 PRO A 9 17.231 -12.173 -7.421 1.00 71.24 H new ATOM 0 HB3 PRO A 9 16.499 -10.843 -6.546 1.00 71.24 H new ATOM 0 HG2 PRO A 9 15.297 -12.590 -8.684 1.00 55.41 H new ATOM 0 HG3 PRO A 9 14.579 -12.035 -7.185 1.00 55.41 H new ATOM 0 HD2 PRO A 9 14.017 -10.835 -9.565 1.00 73.31 H new ATOM 0 HD3 PRO A 9 14.039 -9.928 -8.066 1.00 73.31 H new ATOM 149 N GLU A 10 19.244 -11.167 -9.292 1.00 72.54 N ATOM 150 CA GLU A 10 19.780 -10.617 -8.053 1.00 64.12 C ATOM 151 C GLU A 10 20.134 -9.142 -8.221 1.00 63.33 C ATOM 152 O GLU A 10 21.055 -8.794 -8.959 1.00 70.44 O ATOM 153 CB GLU A 10 21.018 -11.403 -7.614 1.00 15.03 C ATOM 154 CG GLU A 10 20.997 -11.800 -6.147 1.00 60.12 C ATOM 155 CD GLU A 10 21.112 -13.299 -5.947 1.00 1.31 C ATOM 156 OE1 GLU A 10 20.477 -14.051 -6.715 1.00 10.01 O ATOM 157 OE2 GLU A 10 21.838 -13.719 -5.022 1.00 0.04 O ATOM 0 H GLU A 10 19.936 -11.627 -9.884 1.00 72.54 H new ATOM 0 HA GLU A 10 19.012 -10.703 -7.285 1.00 64.12 H new ATOM 0 HB2 GLU A 10 21.103 -12.302 -8.224 1.00 15.03 H new ATOM 0 HB3 GLU A 10 21.907 -10.802 -7.807 1.00 15.03 H new ATOM 0 HG2 GLU A 10 21.817 -11.304 -5.628 1.00 60.12 H new ATOM 0 HG3 GLU A 10 20.072 -11.446 -5.692 1.00 60.12 H new ATOM 164 N ASN A 11 19.395 -8.280 -7.531 1.00 21.00 N ATOM 165 CA ASN A 11 19.630 -6.842 -7.604 1.00 75.41 C ATOM 166 C ASN A 11 19.925 -6.412 -9.038 1.00 4.25 C ATOM 167 O ASN A 11 21.055 -6.049 -9.368 1.00 31.30 O ATOM 168 CB ASN A 11 20.792 -6.447 -6.691 1.00 15.03 C ATOM 169 CG ASN A 11 20.648 -5.038 -6.149 1.00 55.21 C ATOM 170 OD1 ASN A 11 19.540 -4.509 -6.051 1.00 43.33 O ATOM 171 ND2 ASN A 11 21.770 -4.423 -5.794 1.00 52.04 N ATOM 0 H ASN A 11 18.629 -8.552 -6.915 1.00 21.00 H new ATOM 0 HA ASN A 11 18.726 -6.333 -7.270 1.00 75.41 H new ATOM 0 HB2 ASN A 11 20.852 -7.149 -5.859 1.00 15.03 H new ATOM 0 HB3 ASN A 11 21.728 -6.527 -7.244 1.00 15.03 H new ATOM 0 HD21 ASN A 11 21.736 -3.474 -5.423 1.00 52.04 H new ATOM 0 HD22 ASN A 11 22.666 -4.900 -5.893 1.00 52.04 H new ATOM 178 N CYS A 12 18.903 -6.453 -9.885 1.00 72.40 N ATOM 179 CA CYS A 12 19.051 -6.068 -11.283 1.00 45.21 C ATOM 180 C CYS A 12 17.904 -5.163 -11.723 1.00 32.42 C ATOM 181 O CYS A 12 16.737 -5.447 -11.453 1.00 33.04 O ATOM 182 CB CYS A 12 19.106 -7.311 -12.174 1.00 11.43 C ATOM 183 SG CYS A 12 20.770 -7.703 -12.802 1.00 42.30 S ATOM 0 H CYS A 12 17.962 -6.749 -9.627 1.00 72.40 H new ATOM 0 HA CYS A 12 19.985 -5.516 -11.384 1.00 45.21 H new ATOM 0 HB2 CYS A 12 18.731 -8.166 -11.611 1.00 11.43 H new ATOM 0 HB3 CYS A 12 18.434 -7.168 -13.020 1.00 11.43 H new ATOM 188 N VAL A 13 18.244 -4.073 -12.403 1.00 1.03 N ATOM 189 CA VAL A 13 17.243 -3.127 -12.882 1.00 21.24 C ATOM 190 C VAL A 13 16.508 -3.675 -14.100 1.00 13.14 C ATOM 191 O VAL A 13 16.971 -4.615 -14.746 1.00 55.24 O ATOM 192 CB VAL A 13 17.880 -1.773 -13.246 1.00 53.21 C ATOM 193 CG1 VAL A 13 18.577 -1.168 -12.037 1.00 41.23 C ATOM 194 CG2 VAL A 13 18.851 -1.936 -14.406 1.00 15.22 C ATOM 0 H VAL A 13 19.205 -3.823 -12.635 1.00 1.03 H new ATOM 0 HA VAL A 13 16.532 -2.979 -12.069 1.00 21.24 H new ATOM 0 HB VAL A 13 17.089 -1.091 -13.557 1.00 53.21 H new ATOM 0 HG11 VAL A 13 19.021 -0.212 -12.314 1.00 41.23 H new ATOM 0 HG12 VAL A 13 17.852 -1.014 -11.238 1.00 41.23 H new ATOM 0 HG13 VAL A 13 19.359 -1.844 -11.691 1.00 41.23 H new ATOM 0 HG21 VAL A 13 19.292 -0.969 -14.650 1.00 15.22 H new ATOM 0 HG22 VAL A 13 19.640 -2.634 -14.125 1.00 15.22 H new ATOM 0 HG23 VAL A 13 18.318 -2.321 -15.275 1.00 15.22 H new ATOM 204 N TYR A 14 15.360 -3.081 -14.407 1.00 42.12 N ATOM 205 CA TYR A 14 14.559 -3.510 -15.547 1.00 72.41 C ATOM 206 C TYR A 14 14.615 -2.481 -16.671 1.00 41.35 C ATOM 207 O TYR A 14 13.950 -1.447 -16.614 1.00 43.11 O ATOM 208 CB TYR A 14 13.108 -3.737 -15.120 1.00 75.34 C ATOM 209 CG TYR A 14 12.468 -4.945 -15.767 1.00 22.42 C ATOM 210 CD1 TYR A 14 12.746 -5.280 -17.087 1.00 21.15 C ATOM 211 CD2 TYR A 14 11.586 -5.752 -15.059 1.00 13.43 C ATOM 212 CE1 TYR A 14 12.164 -6.383 -17.682 1.00 11.43 C ATOM 213 CE2 TYR A 14 11.000 -6.857 -15.645 1.00 50.31 C ATOM 214 CZ TYR A 14 11.292 -7.168 -16.957 1.00 10.12 C ATOM 215 OH TYR A 14 10.709 -8.267 -17.545 1.00 65.10 O ATOM 0 H TYR A 14 14.964 -2.301 -13.882 1.00 42.12 H new ATOM 0 HA TYR A 14 14.973 -4.448 -15.917 1.00 72.41 H new ATOM 0 HB2 TYR A 14 13.071 -3.853 -14.037 1.00 75.34 H new ATOM 0 HB3 TYR A 14 12.523 -2.851 -15.366 1.00 75.34 H new ATOM 0 HD1 TYR A 14 13.429 -4.668 -17.657 1.00 21.15 H new ATOM 0 HD2 TYR A 14 11.354 -5.511 -14.032 1.00 13.43 H new ATOM 0 HE1 TYR A 14 12.391 -6.629 -18.709 1.00 11.43 H new ATOM 0 HE2 TYR A 14 10.317 -7.474 -15.080 1.00 50.31 H new ATOM 0 HH TYR A 14 10.320 -8.841 -16.852 1.00 65.10 H new ATOM 225 N GLU A 15 15.414 -2.773 -17.693 1.00 54.03 N ATOM 226 CA GLU A 15 15.557 -1.873 -18.831 1.00 42.24 C ATOM 227 C GLU A 15 14.542 -2.207 -19.921 1.00 11.43 C ATOM 228 O GLU A 15 14.298 -3.376 -20.221 1.00 12.34 O ATOM 229 CB GLU A 15 16.976 -1.955 -19.399 1.00 11.41 C ATOM 230 CG GLU A 15 17.317 -3.311 -19.992 1.00 31.32 C ATOM 231 CD GLU A 15 18.753 -3.394 -20.472 1.00 11.11 C ATOM 232 OE1 GLU A 15 19.648 -2.907 -19.750 1.00 21.45 O ATOM 233 OE2 GLU A 15 18.982 -3.944 -21.569 1.00 74.21 O ATOM 0 H GLU A 15 15.971 -3.625 -17.756 1.00 54.03 H new ATOM 0 HA GLU A 15 15.370 -0.857 -18.483 1.00 42.24 H new ATOM 0 HB2 GLU A 15 17.095 -1.191 -20.168 1.00 11.41 H new ATOM 0 HB3 GLU A 15 17.689 -1.724 -18.607 1.00 11.41 H new ATOM 0 HG2 GLU A 15 17.143 -4.085 -19.244 1.00 31.32 H new ATOM 0 HG3 GLU A 15 16.647 -3.517 -20.826 1.00 31.32 H new ATOM 240 N CYS A 16 13.953 -1.171 -20.509 1.00 75.22 N ATOM 241 CA CYS A 16 12.963 -1.352 -21.564 1.00 72.22 C ATOM 242 C CYS A 16 13.557 -1.020 -22.930 1.00 53.40 C ATOM 243 O CYS A 16 14.746 -0.728 -23.047 1.00 62.22 O ATOM 244 CB CYS A 16 11.739 -0.473 -21.300 1.00 72.13 C ATOM 245 SG CYS A 16 10.227 -1.405 -20.894 1.00 25.51 S ATOM 0 H CYS A 16 14.144 -0.197 -20.273 1.00 75.22 H new ATOM 0 HA CYS A 16 12.657 -2.398 -21.565 1.00 72.22 H new ATOM 0 HB2 CYS A 16 11.964 0.208 -20.479 1.00 72.13 H new ATOM 0 HB3 CYS A 16 11.549 0.141 -22.181 1.00 72.13 H new ATOM 250 N GLY A 17 12.718 -1.065 -23.961 1.00 22.40 N ATOM 251 CA GLY A 17 13.178 -0.767 -25.305 1.00 12.23 C ATOM 252 C GLY A 17 12.478 -1.604 -26.356 1.00 73.35 C ATOM 253 O GLY A 17 12.160 -1.113 -27.440 1.00 13.01 O ATOM 0 H GLY A 17 11.729 -1.302 -23.889 1.00 22.40 H new ATOM 0 HA2 GLY A 17 13.012 0.289 -25.517 1.00 12.23 H new ATOM 0 HA3 GLY A 17 14.253 -0.939 -25.364 1.00 12.23 H new ATOM 257 N ILE A 18 12.239 -2.872 -26.038 1.00 54.02 N ATOM 258 CA ILE A 18 11.572 -3.779 -26.965 1.00 24.05 C ATOM 259 C ILE A 18 10.378 -4.459 -26.305 1.00 13.05 C ATOM 260 O ILE A 18 9.341 -4.667 -26.935 1.00 75.21 O ATOM 261 CB ILE A 18 12.538 -4.858 -27.488 1.00 63.32 C ATOM 262 CG1 ILE A 18 11.805 -5.818 -28.427 1.00 53.25 C ATOM 263 CG2 ILE A 18 13.163 -5.618 -26.328 1.00 34.54 C ATOM 264 CD1 ILE A 18 12.732 -6.682 -29.253 1.00 31.22 C ATOM 0 H ILE A 18 12.497 -3.295 -25.146 1.00 54.02 H new ATOM 0 HA ILE A 18 11.225 -3.175 -27.804 1.00 24.05 H new ATOM 0 HB ILE A 18 13.335 -4.369 -28.048 1.00 63.32 H new ATOM 0 HG12 ILE A 18 11.151 -6.461 -27.838 1.00 53.25 H new ATOM 0 HG13 ILE A 18 11.166 -5.242 -29.096 1.00 53.25 H new ATOM 0 HG21 ILE A 18 13.843 -6.377 -26.715 1.00 34.54 H new ATOM 0 HG22 ILE A 18 13.716 -4.924 -25.694 1.00 34.54 H new ATOM 0 HG23 ILE A 18 12.379 -6.098 -25.743 1.00 34.54 H new ATOM 0 HD11 ILE A 18 12.143 -7.337 -29.895 1.00 31.22 H new ATOM 0 HD12 ILE A 18 13.369 -6.047 -29.869 1.00 31.22 H new ATOM 0 HD13 ILE A 18 13.353 -7.285 -28.591 1.00 31.22 H new ATOM 276 N THR A 19 10.529 -4.802 -25.029 1.00 60.20 N ATOM 277 CA THR A 19 9.463 -5.458 -24.282 1.00 40.13 C ATOM 278 C THR A 19 8.157 -4.679 -24.389 1.00 42.30 C ATOM 279 O THR A 19 7.195 -5.144 -24.999 1.00 42.25 O ATOM 280 CB THR A 19 9.834 -5.616 -22.795 1.00 55.45 C ATOM 281 OG1 THR A 19 11.110 -5.018 -22.543 1.00 21.33 O ATOM 282 CG2 THR A 19 9.868 -7.084 -22.399 1.00 55.10 C ATOM 0 H THR A 19 11.380 -4.636 -24.491 1.00 60.20 H new ATOM 0 HA THR A 19 9.330 -6.446 -24.722 1.00 40.13 H new ATOM 0 HB THR A 19 9.074 -5.113 -22.198 1.00 55.45 H new ATOM 0 HG1 THR A 19 11.338 -5.121 -21.595 1.00 21.33 H new ATOM 0 HG21 THR A 19 10.132 -7.171 -21.345 1.00 55.10 H new ATOM 0 HG22 THR A 19 8.887 -7.528 -22.565 1.00 55.10 H new ATOM 0 HG23 THR A 19 10.610 -7.607 -23.003 1.00 55.10 H new ATOM 290 N GLN A 20 8.132 -3.491 -23.792 1.00 75.42 N ATOM 291 CA GLN A 20 6.942 -2.648 -23.821 1.00 64.11 C ATOM 292 C GLN A 20 5.764 -3.346 -23.150 1.00 11.42 C ATOM 293 O GLN A 20 4.863 -3.848 -23.822 1.00 13.14 O ATOM 294 CB GLN A 20 6.582 -2.287 -25.263 1.00 45.22 C ATOM 295 CG GLN A 20 5.462 -1.265 -25.373 1.00 30.40 C ATOM 296 CD GLN A 20 5.780 -0.154 -26.353 1.00 53.44 C ATOM 297 OE1 GLN A 20 6.434 0.829 -26.004 1.00 43.24 O ATOM 298 NE2 GLN A 20 5.317 -0.303 -27.589 1.00 32.21 N ATOM 0 H GLN A 20 8.921 -3.091 -23.283 1.00 75.42 H new ATOM 0 HA GLN A 20 7.162 -1.734 -23.269 1.00 64.11 H new ATOM 0 HB2 GLN A 20 7.469 -1.897 -25.763 1.00 45.22 H new ATOM 0 HB3 GLN A 20 6.289 -3.193 -25.793 1.00 45.22 H new ATOM 0 HG2 GLN A 20 4.546 -1.767 -25.684 1.00 30.40 H new ATOM 0 HG3 GLN A 20 5.271 -0.834 -24.390 1.00 30.40 H new ATOM 0 HE21 GLN A 20 4.779 -1.134 -27.835 1.00 32.21 H new ATOM 0 HE22 GLN A 20 5.499 0.413 -28.292 1.00 32.21 H new ATOM 307 N ASP A 21 5.777 -3.373 -21.822 1.00 25.12 N ATOM 308 CA ASP A 21 4.709 -4.009 -21.059 1.00 42.42 C ATOM 309 C ASP A 21 4.955 -3.870 -19.560 1.00 50.30 C ATOM 310 O ASP A 21 4.620 -4.762 -18.780 1.00 10.41 O ATOM 311 CB ASP A 21 4.595 -5.487 -21.435 1.00 41.21 C ATOM 312 CG ASP A 21 5.949 -6.157 -21.567 1.00 14.12 C ATOM 313 OD1 ASP A 21 6.593 -6.402 -20.526 1.00 13.15 O ATOM 314 OD2 ASP A 21 6.364 -6.435 -22.711 1.00 64.52 O ATOM 0 H ASP A 21 6.516 -2.962 -21.251 1.00 25.12 H new ATOM 0 HA ASP A 21 3.773 -3.507 -21.303 1.00 42.42 H new ATOM 0 HB2 ASP A 21 4.008 -6.007 -20.678 1.00 41.21 H new ATOM 0 HB3 ASP A 21 4.054 -5.579 -22.377 1.00 41.21 H new ATOM 319 N CYS A 22 5.543 -2.746 -19.164 1.00 10.03 N ATOM 320 CA CYS A 22 5.836 -2.490 -17.759 1.00 14.23 C ATOM 321 C CYS A 22 4.564 -2.556 -16.917 1.00 63.43 C ATOM 322 O CYS A 22 4.507 -3.268 -15.915 1.00 45.04 O ATOM 323 CB CYS A 22 6.497 -1.120 -17.595 1.00 63.04 C ATOM 324 SG CYS A 22 8.316 -1.157 -17.691 1.00 1.32 S ATOM 0 H CYS A 22 5.826 -1.998 -19.797 1.00 10.03 H new ATOM 0 HA CYS A 22 6.523 -3.262 -17.411 1.00 14.23 H new ATOM 0 HB2 CYS A 22 6.117 -0.450 -18.366 1.00 63.04 H new ATOM 0 HB3 CYS A 22 6.203 -0.699 -16.634 1.00 63.04 H new ATOM 329 N ASN A 23 3.547 -1.810 -17.333 1.00 55.50 N ATOM 330 CA ASN A 23 2.276 -1.783 -16.618 1.00 33.21 C ATOM 331 C ASN A 23 1.755 -3.198 -16.383 1.00 14.45 C ATOM 332 O ASN A 23 1.195 -3.498 -15.328 1.00 12.32 O ATOM 333 CB ASN A 23 1.243 -0.971 -17.401 1.00 54.24 C ATOM 334 CG ASN A 23 0.307 -0.197 -16.493 1.00 54.45 C ATOM 335 OD1 ASN A 23 0.029 0.980 -16.727 1.00 64.12 O ATOM 336 ND2 ASN A 23 -0.185 -0.855 -15.451 1.00 30.44 N ATOM 0 H ASN A 23 3.578 -1.216 -18.162 1.00 55.50 H new ATOM 0 HA ASN A 23 2.442 -1.310 -15.650 1.00 33.21 H new ATOM 0 HB2 ASN A 23 1.758 -0.276 -18.064 1.00 54.24 H new ATOM 0 HB3 ASN A 23 0.660 -1.642 -18.032 1.00 54.24 H new ATOM 0 HD21 ASN A 23 -0.821 -0.386 -14.806 1.00 30.44 H new ATOM 0 HD22 ASN A 23 0.072 -1.830 -15.296 1.00 30.44 H new ATOM 343 N LYS A 24 1.943 -4.064 -17.372 1.00 51.02 N ATOM 344 CA LYS A 24 1.494 -5.448 -17.274 1.00 5.10 C ATOM 345 C LYS A 24 2.298 -6.207 -16.223 1.00 1.01 C ATOM 346 O LYS A 24 1.731 -6.843 -15.333 1.00 43.11 O ATOM 347 CB LYS A 24 1.623 -6.145 -18.631 1.00 15.45 C ATOM 348 CG LYS A 24 0.575 -7.220 -18.863 1.00 42.34 C ATOM 349 CD LYS A 24 0.466 -7.582 -20.335 1.00 32.21 C ATOM 350 CE LYS A 24 0.864 -9.029 -20.584 1.00 32.04 C ATOM 351 NZ LYS A 24 1.010 -9.322 -22.036 1.00 62.22 N ATOM 0 H LYS A 24 2.404 -3.832 -18.252 1.00 51.02 H new ATOM 0 HA LYS A 24 0.447 -5.444 -16.972 1.00 5.10 H new ATOM 0 HB2 LYS A 24 1.548 -5.399 -19.422 1.00 15.45 H new ATOM 0 HB3 LYS A 24 2.614 -6.592 -18.708 1.00 15.45 H new ATOM 0 HG2 LYS A 24 0.830 -8.109 -18.286 1.00 42.34 H new ATOM 0 HG3 LYS A 24 -0.392 -6.871 -18.500 1.00 42.34 H new ATOM 0 HD2 LYS A 24 -0.557 -7.421 -20.676 1.00 32.21 H new ATOM 0 HD3 LYS A 24 1.105 -6.922 -20.921 1.00 32.21 H new ATOM 0 HE2 LYS A 24 1.804 -9.240 -20.075 1.00 32.04 H new ATOM 0 HE3 LYS A 24 0.113 -9.691 -20.154 1.00 32.04 H new ATOM 0 HZ1 LYS A 24 1.282 -10.318 -22.164 1.00 62.22 H new ATOM 0 HZ2 LYS A 24 0.106 -9.145 -22.518 1.00 62.22 H new ATOM 0 HZ3 LYS A 24 1.745 -8.708 -22.442 1.00 62.22 H new ATOM 365 N LEU A 25 3.620 -6.135 -16.330 1.00 62.32 N ATOM 366 CA LEU A 25 4.502 -6.815 -15.388 1.00 2.35 C ATOM 367 C LEU A 25 4.253 -6.331 -13.963 1.00 1.53 C ATOM 368 O LEU A 25 4.115 -7.132 -13.038 1.00 73.24 O ATOM 369 CB LEU A 25 5.965 -6.582 -15.769 1.00 42.10 C ATOM 370 CG LEU A 25 6.991 -7.480 -15.076 1.00 14.42 C ATOM 371 CD1 LEU A 25 7.716 -8.346 -16.093 1.00 70.25 C ATOM 372 CD2 LEU A 25 7.983 -6.642 -14.282 1.00 53.02 C ATOM 0 H LEU A 25 4.105 -5.613 -17.060 1.00 62.32 H new ATOM 0 HA LEU A 25 4.287 -7.883 -15.433 1.00 2.35 H new ATOM 0 HB2 LEU A 25 6.065 -6.715 -16.846 1.00 42.10 H new ATOM 0 HB3 LEU A 25 6.215 -5.544 -15.552 1.00 42.10 H new ATOM 0 HG LEU A 25 6.463 -8.135 -14.383 1.00 14.42 H new ATOM 0 HD11 LEU A 25 8.442 -8.978 -15.581 1.00 70.25 H new ATOM 0 HD12 LEU A 25 6.995 -8.973 -16.617 1.00 70.25 H new ATOM 0 HD13 LEU A 25 8.232 -7.709 -16.811 1.00 70.25 H new ATOM 0 HD21 LEU A 25 8.706 -7.297 -13.796 1.00 53.02 H new ATOM 0 HD22 LEU A 25 8.505 -5.962 -14.955 1.00 53.02 H new ATOM 0 HD23 LEU A 25 7.449 -6.066 -13.526 1.00 53.02 H new ATOM 384 N CYS A 26 4.195 -5.014 -13.792 1.00 40.14 N ATOM 385 CA CYS A 26 3.961 -4.422 -12.481 1.00 54.41 C ATOM 386 C CYS A 26 2.636 -4.902 -11.896 1.00 31.50 C ATOM 387 O CYS A 26 2.579 -5.369 -10.758 1.00 24.23 O ATOM 388 CB CYS A 26 3.963 -2.895 -12.580 1.00 53.23 C ATOM 389 SG CYS A 26 5.615 -2.142 -12.433 1.00 21.44 S ATOM 0 H CYS A 26 4.307 -4.336 -14.546 1.00 40.14 H new ATOM 0 HA CYS A 26 4.767 -4.738 -11.818 1.00 54.41 H new ATOM 0 HB2 CYS A 26 3.526 -2.603 -13.535 1.00 53.23 H new ATOM 0 HB3 CYS A 26 3.320 -2.490 -11.798 1.00 53.23 H new ATOM 394 N THR A 27 1.571 -4.786 -12.683 1.00 15.33 N ATOM 395 CA THR A 27 0.246 -5.207 -12.244 1.00 3.04 C ATOM 396 C THR A 27 0.238 -6.682 -11.860 1.00 73.30 C ATOM 397 O THR A 27 -0.195 -7.046 -10.767 1.00 53.22 O ATOM 398 CB THR A 27 -0.811 -4.967 -13.337 1.00 52.55 C ATOM 399 OG1 THR A 27 -0.339 -5.466 -14.594 1.00 31.44 O ATOM 400 CG2 THR A 27 -1.132 -3.485 -13.464 1.00 1.12 C ATOM 0 H THR A 27 1.600 -4.404 -13.628 1.00 15.33 H new ATOM 0 HA THR A 27 -0.004 -4.605 -11.370 1.00 3.04 H new ATOM 0 HB THR A 27 -1.720 -5.497 -13.054 1.00 52.55 H new ATOM 0 HG1 THR A 27 0.228 -4.791 -15.022 1.00 31.44 H new ATOM 0 HG21 THR A 27 -1.881 -3.340 -14.242 1.00 1.12 H new ATOM 0 HG22 THR A 27 -1.519 -3.114 -12.515 1.00 1.12 H new ATOM 0 HG23 THR A 27 -0.226 -2.938 -13.726 1.00 1.12 H new ATOM 408 N GLU A 28 0.720 -7.527 -12.766 1.00 75.51 N ATOM 409 CA GLU A 28 0.767 -8.964 -12.521 1.00 35.12 C ATOM 410 C GLU A 28 1.528 -9.272 -11.235 1.00 1.23 C ATOM 411 O GLU A 28 1.156 -10.169 -10.480 1.00 74.21 O ATOM 412 CB GLU A 28 1.424 -9.684 -13.700 1.00 74.13 C ATOM 413 CG GLU A 28 0.482 -10.613 -14.447 1.00 72.33 C ATOM 414 CD GLU A 28 0.212 -11.901 -13.693 1.00 1.43 C ATOM 415 OE1 GLU A 28 1.033 -12.835 -13.800 1.00 61.34 O ATOM 416 OE2 GLU A 28 -0.821 -11.973 -12.994 1.00 5.31 O ATOM 0 H GLU A 28 1.083 -7.242 -13.675 1.00 75.51 H new ATOM 0 HA GLU A 28 -0.257 -9.321 -12.412 1.00 35.12 H new ATOM 0 HB2 GLU A 28 1.816 -8.942 -14.395 1.00 74.13 H new ATOM 0 HB3 GLU A 28 2.275 -10.259 -13.335 1.00 74.13 H new ATOM 0 HG2 GLU A 28 -0.461 -10.098 -14.629 1.00 72.33 H new ATOM 0 HG3 GLU A 28 0.909 -10.850 -15.422 1.00 72.33 H new ATOM 423 N ASN A 29 2.597 -8.520 -10.993 1.00 23.40 N ATOM 424 CA ASN A 29 3.413 -8.713 -9.799 1.00 52.02 C ATOM 425 C ASN A 29 2.604 -8.429 -8.537 1.00 25.43 C ATOM 426 O ASN A 29 2.894 -8.966 -7.468 1.00 42.50 O ATOM 427 CB ASN A 29 4.643 -7.805 -9.845 1.00 65.10 C ATOM 428 CG ASN A 29 5.897 -8.551 -10.260 1.00 1.13 C ATOM 429 OD1 ASN A 29 6.712 -8.933 -9.420 1.00 34.54 O ATOM 430 ND2 ASN A 29 6.057 -8.761 -11.561 1.00 42.21 N ATOM 0 H ASN A 29 2.918 -7.772 -11.607 1.00 23.40 H new ATOM 0 HA ASN A 29 3.738 -9.753 -9.775 1.00 52.02 H new ATOM 0 HB2 ASN A 29 4.462 -6.988 -10.543 1.00 65.10 H new ATOM 0 HB3 ASN A 29 4.798 -7.357 -8.863 1.00 65.10 H new ATOM 0 HD21 ASN A 29 6.881 -9.257 -11.900 1.00 42.21 H new ATOM 0 HD22 ASN A 29 5.356 -8.427 -12.222 1.00 42.21 H new ATOM 437 N GLY A 30 1.588 -7.582 -8.669 1.00 30.51 N ATOM 438 CA GLY A 30 0.753 -7.243 -7.532 1.00 11.42 C ATOM 439 C GLY A 30 0.690 -5.748 -7.285 1.00 22.45 C ATOM 440 O GLY A 30 0.053 -5.296 -6.334 1.00 21.01 O ATOM 0 H GLY A 30 1.328 -7.125 -9.543 1.00 30.51 H new ATOM 0 HA2 GLY A 30 -0.255 -7.624 -7.699 1.00 11.42 H new ATOM 0 HA3 GLY A 30 1.138 -7.740 -6.641 1.00 11.42 H new ATOM 444 N ALA A 31 1.355 -4.980 -8.142 1.00 34.05 N ATOM 445 CA ALA A 31 1.371 -3.528 -8.012 1.00 23.34 C ATOM 446 C ALA A 31 0.120 -2.908 -8.624 1.00 44.25 C ATOM 447 O ALA A 31 -0.560 -3.535 -9.435 1.00 53.24 O ATOM 448 CB ALA A 31 2.621 -2.954 -8.663 1.00 71.50 C ATOM 0 H ALA A 31 1.889 -5.339 -8.933 1.00 34.05 H new ATOM 0 HA ALA A 31 1.383 -3.283 -6.950 1.00 23.34 H new ATOM 0 HB1 ALA A 31 2.620 -1.869 -8.559 1.00 71.50 H new ATOM 0 HB2 ALA A 31 3.506 -3.365 -8.177 1.00 71.50 H new ATOM 0 HB3 ALA A 31 2.634 -3.217 -9.721 1.00 71.50 H new ATOM 454 N GLU A 32 -0.176 -1.673 -8.231 1.00 31.24 N ATOM 455 CA GLU A 32 -1.347 -0.970 -8.741 1.00 41.22 C ATOM 456 C GLU A 32 -1.152 -0.579 -10.203 1.00 41.33 C ATOM 457 O GLU A 32 -2.013 -0.833 -11.045 1.00 72.01 O ATOM 458 CB GLU A 32 -1.626 0.278 -7.901 1.00 13.20 C ATOM 459 CG GLU A 32 -3.024 0.841 -8.093 1.00 74.03 C ATOM 460 CD GLU A 32 -3.044 2.061 -8.994 1.00 65.42 C ATOM 461 OE1 GLU A 32 -2.294 3.019 -8.713 1.00 31.25 O ATOM 462 OE2 GLU A 32 -3.808 2.056 -9.982 1.00 14.15 O ATOM 0 H GLU A 32 0.379 -1.139 -7.562 1.00 31.24 H new ATOM 0 HA GLU A 32 -2.202 -1.643 -8.673 1.00 41.22 H new ATOM 0 HB2 GLU A 32 -1.482 0.036 -6.848 1.00 13.20 H new ATOM 0 HB3 GLU A 32 -0.896 1.047 -8.154 1.00 13.20 H new ATOM 0 HG2 GLU A 32 -3.667 0.070 -8.518 1.00 74.03 H new ATOM 0 HG3 GLU A 32 -3.442 1.105 -7.121 1.00 74.03 H new ATOM 469 N SER A 33 -0.014 0.042 -10.497 1.00 62.10 N ATOM 470 CA SER A 33 0.293 0.473 -11.856 1.00 24.51 C ATOM 471 C SER A 33 1.798 0.444 -12.108 1.00 31.12 C ATOM 472 O SER A 33 2.574 0.018 -11.253 1.00 52.13 O ATOM 473 CB SER A 33 -0.250 1.881 -12.102 1.00 44.50 C ATOM 474 OG SER A 33 -1.666 1.897 -12.057 1.00 41.21 O ATOM 0 H SER A 33 0.711 0.258 -9.812 1.00 62.10 H new ATOM 0 HA SER A 33 -0.187 -0.219 -12.548 1.00 24.51 H new ATOM 0 HB2 SER A 33 0.148 2.564 -11.352 1.00 44.50 H new ATOM 0 HB3 SER A 33 0.090 2.241 -13.073 1.00 44.50 H new ATOM 0 HG SER A 33 -1.998 0.994 -11.870 1.00 41.21 H new ATOM 480 N GLY A 34 2.203 0.901 -13.289 1.00 12.10 N ATOM 481 CA GLY A 34 3.612 0.919 -13.634 1.00 3.52 C ATOM 482 C GLY A 34 3.847 1.229 -15.099 1.00 13.20 C ATOM 483 O GLY A 34 2.963 1.028 -15.932 1.00 61.24 O ATOM 0 H GLY A 34 1.580 1.259 -14.013 1.00 12.10 H new ATOM 0 HA2 GLY A 34 4.123 1.662 -13.022 1.00 3.52 H new ATOM 0 HA3 GLY A 34 4.054 -0.049 -13.395 1.00 3.52 H new ATOM 487 N TYR A 35 5.039 1.722 -15.414 1.00 64.22 N ATOM 488 CA TYR A 35 5.386 2.064 -16.789 1.00 11.25 C ATOM 489 C TYR A 35 6.883 1.899 -17.030 1.00 62.42 C ATOM 490 O TYR A 35 7.630 1.508 -16.132 1.00 52.12 O ATOM 491 CB TYR A 35 4.963 3.501 -17.100 1.00 65.24 C ATOM 492 CG TYR A 35 5.088 4.438 -15.921 1.00 11.24 C ATOM 493 CD1 TYR A 35 6.334 4.860 -15.472 1.00 15.01 C ATOM 494 CD2 TYR A 35 3.960 4.901 -15.254 1.00 43.40 C ATOM 495 CE1 TYR A 35 6.452 5.716 -14.394 1.00 63.10 C ATOM 496 CE2 TYR A 35 4.069 5.759 -14.176 1.00 65.43 C ATOM 497 CZ TYR A 35 5.317 6.163 -13.750 1.00 24.31 C ATOM 498 OH TYR A 35 5.430 7.015 -12.676 1.00 4.43 O ATOM 0 H TYR A 35 5.782 1.894 -14.736 1.00 64.22 H new ATOM 0 HA TYR A 35 4.853 1.383 -17.452 1.00 11.25 H new ATOM 0 HB2 TYR A 35 5.572 3.880 -17.921 1.00 65.24 H new ATOM 0 HB3 TYR A 35 3.929 3.500 -17.444 1.00 65.24 H new ATOM 0 HD1 TYR A 35 7.225 4.513 -15.974 1.00 15.01 H new ATOM 0 HD2 TYR A 35 2.981 4.585 -15.584 1.00 43.40 H new ATOM 0 HE1 TYR A 35 7.428 6.034 -14.057 1.00 63.10 H new ATOM 0 HE2 TYR A 35 3.182 6.111 -13.670 1.00 65.43 H new ATOM 0 HH TYR A 35 5.846 6.542 -11.925 1.00 4.43 H new ATOM 508 N CYS A 36 7.316 2.199 -18.250 1.00 54.31 N ATOM 509 CA CYS A 36 8.723 2.085 -18.613 1.00 20.01 C ATOM 510 C CYS A 36 9.271 3.425 -19.095 1.00 1.13 C ATOM 511 O CYS A 36 8.899 3.911 -20.163 1.00 20.34 O ATOM 512 CB CYS A 36 8.906 1.026 -19.701 1.00 63.53 C ATOM 513 SG CYS A 36 9.552 -0.565 -19.090 1.00 15.40 S ATOM 0 H CYS A 36 6.711 2.523 -19.005 1.00 54.31 H new ATOM 0 HA CYS A 36 9.278 1.784 -17.725 1.00 20.01 H new ATOM 0 HB2 CYS A 36 7.947 0.853 -20.189 1.00 63.53 H new ATOM 0 HB3 CYS A 36 9.585 1.414 -20.460 1.00 63.53 H new ATOM 518 N GLN A 37 10.157 4.016 -18.300 1.00 0.25 N ATOM 519 CA GLN A 37 10.756 5.300 -18.645 1.00 12.11 C ATOM 520 C GLN A 37 11.977 5.108 -19.538 1.00 5.45 C ATOM 521 O GLN A 37 13.048 4.723 -19.067 1.00 34.22 O ATOM 522 CB GLN A 37 11.150 6.060 -17.377 1.00 53.44 C ATOM 523 CG GLN A 37 11.872 5.201 -16.352 1.00 52.22 C ATOM 524 CD GLN A 37 12.542 6.024 -15.270 1.00 22.25 C ATOM 525 OE1 GLN A 37 13.841 5.818 -15.088 1.00 74.13 O flip ATOM 526 NE2 GLN A 37 11.900 6.836 -14.603 1.00 23.41 N flip ATOM 0 H GLN A 37 10.476 3.626 -17.413 1.00 0.25 H new ATOM 0 HA GLN A 37 10.016 5.883 -19.193 1.00 12.11 H new ATOM 0 HB2 GLN A 37 11.790 6.899 -17.650 1.00 53.44 H new ATOM 0 HB3 GLN A 37 10.253 6.478 -16.921 1.00 53.44 H new ATOM 0 HG2 GLN A 37 11.161 4.514 -15.893 1.00 52.22 H new ATOM 0 HG3 GLN A 37 12.622 4.592 -16.857 1.00 52.22 H new ATOM 0 HE21 GLN A 37 10.903 6.963 -14.776 1.00 23.41 H new ATOM 0 HE22 GLN A 37 12.365 7.382 -13.878 1.00 23.41 H new ATOM 535 N TRP A 38 11.810 5.380 -20.827 1.00 21.53 N ATOM 536 CA TRP A 38 12.900 5.236 -21.785 1.00 51.34 C ATOM 537 C TRP A 38 14.037 6.201 -21.466 1.00 35.24 C ATOM 538 O TRP A 38 15.148 6.056 -21.973 1.00 72.50 O ATOM 539 CB TRP A 38 12.391 5.481 -23.207 1.00 44.11 C ATOM 540 CG TRP A 38 12.176 4.219 -23.986 1.00 40.25 C ATOM 541 CD1 TRP A 38 11.796 3.005 -23.491 1.00 21.40 C ATOM 542 CD2 TRP A 38 12.330 4.048 -25.400 1.00 20.14 C ATOM 543 NE1 TRP A 38 11.705 2.089 -24.511 1.00 73.50 N ATOM 544 CE2 TRP A 38 12.026 2.704 -25.692 1.00 23.22 C ATOM 545 CE3 TRP A 38 12.693 4.899 -26.447 1.00 13.34 C ATOM 546 CZ2 TRP A 38 12.076 2.194 -26.987 1.00 3.34 C ATOM 547 CZ3 TRP A 38 12.742 4.392 -27.731 1.00 42.00 C ATOM 548 CH2 TRP A 38 12.435 3.050 -27.992 1.00 54.24 C ATOM 0 H TRP A 38 10.931 5.701 -21.233 1.00 21.53 H new ATOM 0 HA TRP A 38 13.282 4.218 -21.713 1.00 51.34 H new ATOM 0 HB2 TRP A 38 11.453 6.034 -23.159 1.00 44.11 H new ATOM 0 HB3 TRP A 38 13.106 6.110 -23.738 1.00 44.11 H new ATOM 0 HD1 TRP A 38 11.596 2.795 -22.451 1.00 21.40 H new ATOM 0 HE1 TRP A 38 11.441 1.109 -24.406 1.00 73.50 H new ATOM 0 HE3 TRP A 38 12.931 5.935 -26.256 1.00 13.34 H new ATOM 0 HZ2 TRP A 38 11.840 1.160 -27.191 1.00 3.34 H new ATOM 0 HZ3 TRP A 38 13.022 5.041 -28.548 1.00 42.00 H new ATOM 0 HH2 TRP A 38 12.483 2.684 -29.007 1.00 54.24 H new ATOM 559 N GLY A 39 13.751 7.187 -20.620 1.00 73.43 N ATOM 560 CA GLY A 39 14.760 8.160 -20.248 1.00 0.43 C ATOM 561 C GLY A 39 14.514 8.754 -18.875 1.00 2.02 C ATOM 562 O GLY A 39 13.721 9.682 -18.725 1.00 40.41 O ATOM 0 H GLY A 39 12.839 7.328 -20.186 1.00 73.43 H new ATOM 0 HA2 GLY A 39 15.741 7.686 -20.265 1.00 0.43 H new ATOM 0 HA3 GLY A 39 14.780 8.960 -20.988 1.00 0.43 H new ATOM 566 N GLY A 40 15.196 8.215 -17.868 1.00 53.50 N ATOM 567 CA GLY A 40 15.032 8.709 -16.513 1.00 51.33 C ATOM 568 C GLY A 40 16.350 8.821 -15.774 1.00 2.44 C ATOM 569 O GLY A 40 17.403 8.995 -16.388 1.00 10.00 O ATOM 0 H GLY A 40 15.859 7.446 -17.967 1.00 53.50 H new ATOM 0 HA2 GLY A 40 14.551 9.687 -16.542 1.00 51.33 H new ATOM 0 HA3 GLY A 40 14.367 8.042 -15.964 1.00 51.33 H new ATOM 573 N LYS A 41 16.294 8.724 -14.450 1.00 22.23 N ATOM 574 CA LYS A 41 17.492 8.816 -13.624 1.00 23.41 C ATOM 575 C LYS A 41 18.580 7.877 -14.137 1.00 32.03 C ATOM 576 O LYS A 41 19.712 8.296 -14.379 1.00 11.54 O ATOM 577 CB LYS A 41 17.160 8.481 -12.168 1.00 10.01 C ATOM 578 CG LYS A 41 17.789 9.434 -11.166 1.00 62.41 C ATOM 579 CD LYS A 41 17.754 8.865 -9.758 1.00 35.15 C ATOM 580 CE LYS A 41 18.359 9.831 -8.751 1.00 14.22 C ATOM 581 NZ LYS A 41 17.335 10.365 -7.810 1.00 21.11 N ATOM 0 H LYS A 41 15.431 8.582 -13.926 1.00 22.23 H new ATOM 0 HA LYS A 41 17.863 9.839 -13.679 1.00 23.41 H new ATOM 0 HB2 LYS A 41 16.078 8.494 -12.039 1.00 10.01 H new ATOM 0 HB3 LYS A 41 17.495 7.467 -11.952 1.00 10.01 H new ATOM 0 HG2 LYS A 41 18.821 9.635 -11.452 1.00 62.41 H new ATOM 0 HG3 LYS A 41 17.260 10.387 -11.188 1.00 62.41 H new ATOM 0 HD2 LYS A 41 16.724 8.645 -9.479 1.00 35.15 H new ATOM 0 HD3 LYS A 41 18.300 7.922 -9.732 1.00 35.15 H new ATOM 0 HE2 LYS A 41 19.142 9.324 -8.187 1.00 14.22 H new ATOM 0 HE3 LYS A 41 18.832 10.658 -9.280 1.00 14.22 H new ATOM 0 HZ1 LYS A 41 17.787 11.019 -7.140 1.00 21.11 H new ATOM 0 HZ2 LYS A 41 16.601 10.871 -8.346 1.00 21.11 H new ATOM 0 HZ3 LYS A 41 16.901 9.578 -7.286 1.00 21.11 H new ATOM 595 N TYR A 42 18.229 6.607 -14.302 1.00 32.55 N ATOM 596 CA TYR A 42 19.176 5.609 -14.785 1.00 34.40 C ATOM 597 C TYR A 42 18.940 5.304 -16.261 1.00 73.02 C ATOM 598 O TYR A 42 19.261 4.218 -16.742 1.00 3.21 O ATOM 599 CB TYR A 42 19.059 4.324 -13.963 1.00 1.13 C ATOM 600 CG TYR A 42 19.009 4.563 -12.471 1.00 21.25 C ATOM 601 CD1 TYR A 42 20.041 5.228 -11.819 1.00 35.12 C ATOM 602 CD2 TYR A 42 17.931 4.123 -11.712 1.00 65.52 C ATOM 603 CE1 TYR A 42 20.000 5.448 -10.456 1.00 33.35 C ATOM 604 CE2 TYR A 42 17.881 4.339 -10.349 1.00 5.22 C ATOM 605 CZ TYR A 42 18.918 5.002 -9.725 1.00 71.01 C ATOM 606 OH TYR A 42 18.873 5.219 -8.367 1.00 35.51 O ATOM 0 H TYR A 42 17.296 6.244 -14.108 1.00 32.55 H new ATOM 0 HA TYR A 42 20.181 6.015 -14.672 1.00 34.40 H new ATOM 0 HB2 TYR A 42 18.160 3.789 -14.267 1.00 1.13 H new ATOM 0 HB3 TYR A 42 19.907 3.678 -14.191 1.00 1.13 H new ATOM 0 HD1 TYR A 42 20.889 5.579 -12.388 1.00 35.12 H new ATOM 0 HD2 TYR A 42 17.118 3.603 -12.197 1.00 65.52 H new ATOM 0 HE1 TYR A 42 20.810 5.966 -9.965 1.00 33.35 H new ATOM 0 HE2 TYR A 42 17.035 3.991 -9.775 1.00 5.22 H new ATOM 0 HH TYR A 42 18.044 4.844 -8.003 1.00 35.51 H new ATOM 616 N GLY A 43 18.375 6.273 -16.976 1.00 24.20 N ATOM 617 CA GLY A 43 18.106 6.090 -18.390 1.00 51.52 C ATOM 618 C GLY A 43 16.869 5.251 -18.641 1.00 52.22 C ATOM 619 O GLY A 43 15.795 5.544 -18.116 1.00 64.41 O ATOM 0 H GLY A 43 18.099 7.181 -16.601 1.00 24.20 H new ATOM 0 HA2 GLY A 43 17.982 7.065 -18.862 1.00 51.52 H new ATOM 0 HA3 GLY A 43 18.966 5.614 -18.862 1.00 51.52 H new ATOM 623 N ASN A 44 17.019 4.206 -19.448 1.00 34.30 N ATOM 624 CA ASN A 44 15.903 3.322 -19.770 1.00 4.55 C ATOM 625 C ASN A 44 15.661 2.321 -18.645 1.00 21.33 C ATOM 626 O ASN A 44 16.394 1.343 -18.502 1.00 61.43 O ATOM 627 CB ASN A 44 16.175 2.580 -21.079 1.00 62.23 C ATOM 628 CG ASN A 44 14.912 2.351 -21.887 1.00 63.10 C ATOM 629 OD1 ASN A 44 13.880 1.828 -21.235 1.00 14.15 O flip ATOM 630 ND2 ASN A 44 14.866 2.641 -23.083 1.00 41.13 N flip ATOM 0 H ASN A 44 17.901 3.950 -19.891 1.00 34.30 H new ATOM 0 HA ASN A 44 15.008 3.934 -19.887 1.00 4.55 H new ATOM 0 HB2 ASN A 44 16.886 3.151 -21.676 1.00 62.23 H new ATOM 0 HB3 ASN A 44 16.641 1.620 -20.859 1.00 62.23 H new ATOM 0 HD21 ASN A 44 15.684 3.041 -23.543 1.00 41.13 H new ATOM 0 HD22 ASN A 44 14.010 2.481 -23.614 1.00 41.13 H new ATOM 637 N ALA A 45 14.627 2.572 -17.849 1.00 31.14 N ATOM 638 CA ALA A 45 14.286 1.691 -16.738 1.00 51.14 C ATOM 639 C ALA A 45 12.775 1.597 -16.556 1.00 51.32 C ATOM 640 O ALA A 45 12.023 2.414 -17.089 1.00 40.10 O ATOM 641 CB ALA A 45 14.945 2.179 -15.456 1.00 72.45 C ATOM 0 H ALA A 45 14.011 3.378 -17.953 1.00 31.14 H new ATOM 0 HA ALA A 45 14.660 0.694 -16.969 1.00 51.14 H new ATOM 0 HB1 ALA A 45 14.682 1.512 -14.635 1.00 72.45 H new ATOM 0 HB2 ALA A 45 16.027 2.188 -15.584 1.00 72.45 H new ATOM 0 HB3 ALA A 45 14.598 3.187 -15.230 1.00 72.45 H new ATOM 647 N CYS A 46 12.336 0.596 -15.801 1.00 73.00 N ATOM 648 CA CYS A 46 10.914 0.394 -15.549 1.00 61.02 C ATOM 649 C CYS A 46 10.535 0.879 -14.153 1.00 53.20 C ATOM 650 O CYS A 46 11.239 0.612 -13.179 1.00 42.55 O ATOM 651 CB CYS A 46 10.553 -1.085 -15.703 1.00 14.32 C ATOM 652 SG CYS A 46 8.763 -1.422 -15.653 1.00 41.22 S ATOM 0 H CYS A 46 12.945 -0.089 -15.353 1.00 73.00 H new ATOM 0 HA CYS A 46 10.354 0.976 -16.281 1.00 61.02 H new ATOM 0 HB2 CYS A 46 10.954 -1.449 -16.649 1.00 14.32 H new ATOM 0 HB3 CYS A 46 11.041 -1.652 -14.910 1.00 14.32 H new ATOM 657 N TRP A 47 9.418 1.592 -14.064 1.00 52.12 N ATOM 658 CA TRP A 47 8.944 2.115 -12.787 1.00 63.53 C ATOM 659 C TRP A 47 7.651 1.428 -12.364 1.00 75.42 C ATOM 660 O TRP A 47 6.845 1.028 -13.205 1.00 34.41 O ATOM 661 CB TRP A 47 8.727 3.626 -12.880 1.00 61.32 C ATOM 662 CG TRP A 47 8.077 4.208 -11.662 1.00 54.31 C ATOM 663 CD1 TRP A 47 6.741 4.416 -11.466 1.00 41.13 C ATOM 664 CD2 TRP A 47 8.733 4.659 -10.473 1.00 5.53 C ATOM 665 NE1 TRP A 47 6.528 4.969 -10.227 1.00 2.43 N ATOM 666 CE2 TRP A 47 7.734 5.128 -9.597 1.00 63.21 C ATOM 667 CE3 TRP A 47 10.068 4.712 -10.061 1.00 71.51 C ATOM 668 CZ2 TRP A 47 8.030 5.642 -8.337 1.00 62.33 C ATOM 669 CZ3 TRP A 47 10.360 5.222 -8.811 1.00 11.03 C ATOM 670 CH2 TRP A 47 9.345 5.681 -7.960 1.00 61.13 C ATOM 0 H TRP A 47 8.823 1.821 -14.860 1.00 52.12 H new ATOM 0 HA TRP A 47 9.705 1.911 -12.034 1.00 63.53 H new ATOM 0 HB2 TRP A 47 9.688 4.115 -13.039 1.00 61.32 H new ATOM 0 HB3 TRP A 47 8.110 3.844 -13.752 1.00 61.32 H new ATOM 0 HD1 TRP A 47 5.966 4.180 -12.180 1.00 41.13 H new ATOM 0 HE1 TRP A 47 5.619 5.221 -9.839 1.00 2.43 H new ATOM 0 HE3 TRP A 47 10.857 4.360 -10.709 1.00 71.51 H new ATOM 0 HZ2 TRP A 47 7.249 5.997 -7.681 1.00 62.33 H new ATOM 0 HZ3 TRP A 47 11.388 5.268 -8.484 1.00 11.03 H new ATOM 0 HH2 TRP A 47 9.606 6.073 -6.988 1.00 61.13 H new ATOM 681 N CYS A 48 7.457 1.294 -11.056 1.00 61.34 N ATOM 682 CA CYS A 48 6.261 0.655 -10.521 1.00 71.23 C ATOM 683 C CYS A 48 5.513 1.599 -9.584 1.00 72.14 C ATOM 684 O CYS A 48 6.125 2.369 -8.844 1.00 22.22 O ATOM 685 CB CYS A 48 6.633 -0.630 -9.778 1.00 55.13 C ATOM 686 SG CYS A 48 5.972 -2.147 -10.540 1.00 61.13 S ATOM 0 H CYS A 48 8.114 1.620 -10.347 1.00 61.34 H new ATOM 0 HA CYS A 48 5.607 0.407 -11.357 1.00 71.23 H new ATOM 0 HB2 CYS A 48 7.719 -0.706 -9.726 1.00 55.13 H new ATOM 0 HB3 CYS A 48 6.269 -0.563 -8.753 1.00 55.13 H new ATOM 691 N ILE A 49 4.186 1.533 -9.623 1.00 2.20 N ATOM 692 CA ILE A 49 3.355 2.381 -8.777 1.00 60.50 C ATOM 693 C ILE A 49 2.549 1.547 -7.787 1.00 31.11 C ATOM 694 O ILE A 49 1.805 0.646 -8.177 1.00 3.41 O ATOM 695 CB ILE A 49 2.389 3.238 -9.615 1.00 75.14 C ATOM 696 CG1 ILE A 49 3.155 3.991 -10.705 1.00 15.21 C ATOM 697 CG2 ILE A 49 1.633 4.211 -8.723 1.00 31.35 C ATOM 698 CD1 ILE A 49 2.258 4.733 -11.671 1.00 73.12 C ATOM 0 H ILE A 49 3.664 0.902 -10.231 1.00 2.20 H new ATOM 0 HA ILE A 49 4.030 3.039 -8.230 1.00 60.50 H new ATOM 0 HB ILE A 49 1.666 2.579 -10.095 1.00 75.14 H new ATOM 0 HG12 ILE A 49 3.835 4.701 -10.235 1.00 15.21 H new ATOM 0 HG13 ILE A 49 3.768 3.283 -11.262 1.00 15.21 H new ATOM 0 HG21 ILE A 49 0.954 4.810 -9.331 1.00 31.35 H new ATOM 0 HG22 ILE A 49 1.061 3.655 -7.981 1.00 31.35 H new ATOM 0 HG23 ILE A 49 2.342 4.867 -8.218 1.00 31.35 H new ATOM 0 HD11 ILE A 49 2.869 5.243 -12.416 1.00 73.12 H new ATOM 0 HD12 ILE A 49 1.595 4.025 -12.169 1.00 73.12 H new ATOM 0 HD13 ILE A 49 1.663 5.466 -11.126 1.00 73.12 H new ATOM 710 N LYS A 50 2.700 1.854 -6.503 1.00 32.20 N ATOM 711 CA LYS A 50 1.984 1.136 -5.455 1.00 20.11 C ATOM 712 C LYS A 50 2.417 -0.326 -5.403 1.00 43.32 C ATOM 713 O LYS A 50 1.734 -1.205 -5.929 1.00 32.55 O ATOM 714 CB LYS A 50 0.474 1.223 -5.688 1.00 41.32 C ATOM 715 CG LYS A 50 -0.233 2.181 -4.745 1.00 3.12 C ATOM 716 CD LYS A 50 -0.784 3.388 -5.485 1.00 42.12 C ATOM 717 CE LYS A 50 -1.239 4.473 -4.521 1.00 74.05 C ATOM 718 NZ LYS A 50 -2.399 5.239 -5.057 1.00 3.24 N ATOM 0 H LYS A 50 3.312 2.596 -6.163 1.00 32.20 H new ATOM 0 HA LYS A 50 2.226 1.603 -4.500 1.00 20.11 H new ATOM 0 HB2 LYS A 50 0.291 1.537 -6.716 1.00 41.32 H new ATOM 0 HB3 LYS A 50 0.040 0.230 -5.576 1.00 41.32 H new ATOM 0 HG2 LYS A 50 -1.046 1.661 -4.239 1.00 3.12 H new ATOM 0 HG3 LYS A 50 0.462 2.512 -3.973 1.00 3.12 H new ATOM 0 HD2 LYS A 50 -0.019 3.788 -6.150 1.00 42.12 H new ATOM 0 HD3 LYS A 50 -1.622 3.081 -6.111 1.00 42.12 H new ATOM 0 HE2 LYS A 50 -1.512 4.021 -3.567 1.00 74.05 H new ATOM 0 HE3 LYS A 50 -0.412 5.156 -4.325 1.00 74.05 H new ATOM 0 HZ1 LYS A 50 -2.680 5.969 -4.371 1.00 3.24 H new ATOM 0 HZ2 LYS A 50 -2.131 5.691 -5.954 1.00 3.24 H new ATOM 0 HZ3 LYS A 50 -3.197 4.592 -5.220 1.00 3.24 H new ATOM 732 N LEU A 51 3.555 -0.578 -4.766 1.00 63.32 N ATOM 733 CA LEU A 51 4.079 -1.934 -4.644 1.00 62.43 C ATOM 734 C LEU A 51 4.068 -2.394 -3.190 1.00 13.12 C ATOM 735 O LEU A 51 4.429 -1.652 -2.276 1.00 32.10 O ATOM 736 CB LEU A 51 5.502 -2.005 -5.202 1.00 52.31 C ATOM 737 CG LEU A 51 5.952 -3.370 -5.722 1.00 23.54 C ATOM 738 CD1 LEU A 51 5.113 -3.790 -6.919 1.00 0.54 C ATOM 739 CD2 LEU A 51 7.429 -3.341 -6.087 1.00 61.33 C ATOM 0 H LEU A 51 4.133 0.138 -4.326 1.00 63.32 H new ATOM 0 HA LEU A 51 3.435 -2.598 -5.221 1.00 62.43 H new ATOM 0 HB2 LEU A 51 5.589 -1.283 -6.014 1.00 52.31 H new ATOM 0 HB3 LEU A 51 6.193 -1.691 -4.420 1.00 52.31 H new ATOM 0 HG LEU A 51 5.808 -4.104 -4.929 1.00 23.54 H new ATOM 0 HD11 LEU A 51 5.449 -4.764 -7.275 1.00 0.54 H new ATOM 0 HD12 LEU A 51 4.065 -3.852 -6.625 1.00 0.54 H new ATOM 0 HD13 LEU A 51 5.223 -3.055 -7.716 1.00 0.54 H new ATOM 0 HD21 LEU A 51 7.732 -4.321 -6.455 1.00 61.33 H new ATOM 0 HD22 LEU A 51 7.598 -2.594 -6.863 1.00 61.33 H new ATOM 0 HD23 LEU A 51 8.017 -3.087 -5.205 1.00 61.33 H new ATOM 751 N PRO A 52 3.645 -3.647 -2.968 1.00 62.44 N ATOM 752 CA PRO A 52 3.579 -4.235 -1.627 1.00 63.21 C ATOM 753 C PRO A 52 4.962 -4.493 -1.038 1.00 42.15 C ATOM 754 O PRO A 52 5.929 -4.706 -1.770 1.00 71.14 O ATOM 755 CB PRO A 52 2.840 -5.556 -1.855 1.00 23.34 C ATOM 756 CG PRO A 52 3.107 -5.899 -3.280 1.00 11.22 C ATOM 757 CD PRO A 52 3.200 -4.588 -4.010 1.00 52.24 C ATOM 0 HA PRO A 52 3.086 -3.572 -0.915 1.00 63.21 H new ATOM 0 HB2 PRO A 52 3.205 -6.335 -1.185 1.00 23.34 H new ATOM 0 HB3 PRO A 52 1.772 -5.449 -1.667 1.00 23.34 H new ATOM 0 HG2 PRO A 52 4.032 -6.467 -3.378 1.00 11.22 H new ATOM 0 HG3 PRO A 52 2.308 -6.518 -3.689 1.00 11.22 H new ATOM 0 HD2 PRO A 52 3.910 -4.638 -4.836 1.00 52.24 H new ATOM 0 HD3 PRO A 52 2.239 -4.294 -4.432 1.00 52.24 H new ATOM 765 N ASP A 53 5.049 -4.472 0.287 1.00 60.31 N ATOM 766 CA ASP A 53 6.314 -4.705 0.974 1.00 60.40 C ATOM 767 C ASP A 53 6.950 -6.014 0.513 1.00 15.44 C ATOM 768 O ASP A 53 8.150 -6.072 0.248 1.00 60.32 O ATOM 769 CB ASP A 53 6.099 -4.734 2.488 1.00 50.30 C ATOM 770 CG ASP A 53 6.805 -3.593 3.194 1.00 32.04 C ATOM 771 OD1 ASP A 53 7.854 -3.142 2.690 1.00 51.22 O ATOM 772 OD2 ASP A 53 6.308 -3.152 4.252 1.00 24.04 O ATOM 0 H ASP A 53 4.259 -4.296 0.907 1.00 60.31 H new ATOM 0 HA ASP A 53 6.990 -3.886 0.726 1.00 60.40 H new ATOM 0 HB2 ASP A 53 5.031 -4.685 2.702 1.00 50.30 H new ATOM 0 HB3 ASP A 53 6.460 -5.683 2.885 1.00 50.30 H new ATOM 777 N SER A 54 6.136 -7.061 0.422 1.00 1.12 N ATOM 778 CA SER A 54 6.620 -8.370 -0.001 1.00 54.33 C ATOM 779 C SER A 54 7.411 -8.262 -1.301 1.00 41.12 C ATOM 780 O SER A 54 8.310 -9.062 -1.563 1.00 13.24 O ATOM 781 CB SER A 54 5.447 -9.336 -0.183 1.00 42.44 C ATOM 782 OG SER A 54 5.697 -10.569 0.468 1.00 71.34 O ATOM 0 H SER A 54 5.139 -7.028 0.635 1.00 1.12 H new ATOM 0 HA SER A 54 7.281 -8.755 0.776 1.00 54.33 H new ATOM 0 HB2 SER A 54 4.537 -8.888 0.217 1.00 42.44 H new ATOM 0 HB3 SER A 54 5.276 -9.510 -1.245 1.00 42.44 H new ATOM 0 HG SER A 54 4.932 -11.168 0.339 1.00 71.34 H new ATOM 788 N VAL A 55 7.070 -7.266 -2.113 1.00 62.44 N ATOM 789 CA VAL A 55 7.748 -7.052 -3.386 1.00 44.31 C ATOM 790 C VAL A 55 8.627 -5.807 -3.337 1.00 44.02 C ATOM 791 O VAL A 55 8.203 -4.703 -3.681 1.00 24.41 O ATOM 792 CB VAL A 55 6.741 -6.910 -4.542 1.00 73.13 C ATOM 793 CG1 VAL A 55 7.464 -6.874 -5.880 1.00 30.31 C ATOM 794 CG2 VAL A 55 5.726 -8.043 -4.506 1.00 11.23 C ATOM 0 H VAL A 55 6.329 -6.595 -1.912 1.00 62.44 H new ATOM 0 HA VAL A 55 8.372 -7.928 -3.563 1.00 44.31 H new ATOM 0 HB VAL A 55 6.206 -5.968 -4.420 1.00 73.13 H new ATOM 0 HG11 VAL A 55 6.736 -6.773 -6.685 1.00 30.31 H new ATOM 0 HG12 VAL A 55 8.148 -6.025 -5.901 1.00 30.31 H new ATOM 0 HG13 VAL A 55 8.027 -7.797 -6.014 1.00 30.31 H new ATOM 0 HG21 VAL A 55 5.022 -7.927 -5.330 1.00 11.23 H new ATOM 0 HG22 VAL A 55 6.243 -8.998 -4.602 1.00 11.23 H new ATOM 0 HG23 VAL A 55 5.185 -8.017 -3.560 1.00 11.23 H new ATOM 804 N PRO A 56 9.883 -5.986 -2.900 1.00 72.04 N ATOM 805 CA PRO A 56 10.849 -4.889 -2.797 1.00 41.50 C ATOM 806 C PRO A 56 11.293 -4.377 -4.163 1.00 41.40 C ATOM 807 O PRO A 56 10.883 -4.904 -5.197 1.00 73.12 O ATOM 808 CB PRO A 56 12.028 -5.523 -2.055 1.00 10.45 C ATOM 809 CG PRO A 56 11.925 -6.978 -2.354 1.00 24.41 C ATOM 810 CD PRO A 56 10.456 -7.274 -2.474 1.00 51.22 C ATOM 0 HA PRO A 56 10.427 -4.021 -2.292 1.00 41.50 H new ATOM 0 HB2 PRO A 56 12.978 -5.114 -2.399 1.00 10.45 H new ATOM 0 HB3 PRO A 56 11.969 -5.334 -0.983 1.00 10.45 H new ATOM 0 HG2 PRO A 56 12.449 -7.225 -3.277 1.00 24.41 H new ATOM 0 HG3 PRO A 56 12.379 -7.572 -1.561 1.00 24.41 H new ATOM 0 HD2 PRO A 56 10.263 -8.061 -3.203 1.00 51.22 H new ATOM 0 HD3 PRO A 56 10.034 -7.608 -1.526 1.00 51.22 H new ATOM 818 N ILE A 57 12.133 -3.347 -4.159 1.00 64.34 N ATOM 819 CA ILE A 57 12.634 -2.766 -5.399 1.00 12.01 C ATOM 820 C ILE A 57 14.149 -2.905 -5.499 1.00 20.21 C ATOM 821 O ILE A 57 14.788 -3.492 -4.625 1.00 53.30 O ATOM 822 CB ILE A 57 12.258 -1.277 -5.514 1.00 54.04 C ATOM 823 CG1 ILE A 57 12.421 -0.581 -4.162 1.00 11.22 C ATOM 824 CG2 ILE A 57 10.832 -1.129 -6.024 1.00 13.13 C ATOM 825 CD1 ILE A 57 13.864 -0.388 -3.752 1.00 21.34 C ATOM 0 H ILE A 57 12.481 -2.898 -3.312 1.00 64.34 H new ATOM 0 HA ILE A 57 12.167 -3.315 -6.216 1.00 12.01 H new ATOM 0 HB ILE A 57 12.930 -0.802 -6.229 1.00 54.04 H new ATOM 0 HG12 ILE A 57 11.930 0.391 -4.201 1.00 11.22 H new ATOM 0 HG13 ILE A 57 11.910 -1.166 -3.397 1.00 11.22 H new ATOM 0 HG21 ILE A 57 10.581 -0.071 -6.100 1.00 13.13 H new ATOM 0 HG22 ILE A 57 10.747 -1.594 -7.006 1.00 13.13 H new ATOM 0 HG23 ILE A 57 10.146 -1.616 -5.331 1.00 13.13 H new ATOM 0 HD11 ILE A 57 13.904 0.111 -2.784 1.00 21.34 H new ATOM 0 HD12 ILE A 57 14.355 -1.359 -3.680 1.00 21.34 H new ATOM 0 HD13 ILE A 57 14.375 0.223 -4.496 1.00 21.34 H new ATOM 837 N ARG A 58 14.718 -2.360 -6.569 1.00 64.51 N ATOM 838 CA ARG A 58 16.159 -2.423 -6.783 1.00 61.23 C ATOM 839 C ARG A 58 16.904 -1.651 -5.699 1.00 2.15 C ATOM 840 O ARG A 58 16.612 -0.483 -5.441 1.00 41.14 O ATOM 841 CB ARG A 58 16.516 -1.862 -8.161 1.00 3.32 C ATOM 842 CG ARG A 58 17.535 -2.701 -8.915 1.00 10.40 C ATOM 843 CD ARG A 58 18.956 -2.374 -8.482 1.00 34.44 C ATOM 844 NE ARG A 58 19.949 -2.959 -9.378 1.00 62.12 N ATOM 845 CZ ARG A 58 21.251 -2.982 -9.117 1.00 65.11 C ATOM 846 NH1 ARG A 58 21.715 -2.456 -7.992 1.00 33.34 N ATOM 847 NH2 ARG A 58 22.093 -3.532 -9.983 1.00 23.43 N ATOM 0 H ARG A 58 14.204 -1.870 -7.301 1.00 64.51 H new ATOM 0 HA ARG A 58 16.463 -3.469 -6.734 1.00 61.23 H new ATOM 0 HB2 ARG A 58 15.608 -1.785 -8.759 1.00 3.32 H new ATOM 0 HB3 ARG A 58 16.907 -0.851 -8.042 1.00 3.32 H new ATOM 0 HG2 ARG A 58 17.335 -3.759 -8.743 1.00 10.40 H new ATOM 0 HG3 ARG A 58 17.431 -2.527 -9.986 1.00 10.40 H new ATOM 0 HD2 ARG A 58 19.086 -1.292 -8.453 1.00 34.44 H new ATOM 0 HD3 ARG A 58 19.120 -2.742 -7.469 1.00 34.44 H new ATOM 0 HE ARG A 58 19.625 -3.373 -10.252 1.00 62.12 H new ATOM 0 HH11 ARG A 58 21.071 -2.032 -7.324 1.00 33.34 H new ATOM 0 HH12 ARG A 58 22.716 -2.475 -7.795 1.00 33.34 H new ATOM 0 HH21 ARG A 58 21.740 -3.938 -10.850 1.00 23.43 H new ATOM 0 HH22 ARG A 58 23.093 -3.549 -9.782 1.00 23.43 H new ATOM 861 N VAL A 59 17.868 -2.312 -5.065 1.00 12.33 N ATOM 862 CA VAL A 59 18.655 -1.688 -4.008 1.00 43.21 C ATOM 863 C VAL A 59 20.025 -1.259 -4.523 1.00 74.15 C ATOM 864 O VAL A 59 20.528 -1.773 -5.523 1.00 0.33 O ATOM 865 CB VAL A 59 18.844 -2.640 -2.812 1.00 41.31 C ATOM 866 CG1 VAL A 59 17.566 -2.726 -1.991 1.00 45.21 C ATOM 867 CG2 VAL A 59 19.273 -4.018 -3.291 1.00 64.15 C ATOM 0 H VAL A 59 18.122 -3.279 -5.265 1.00 12.33 H new ATOM 0 HA VAL A 59 18.102 -0.808 -3.679 1.00 43.21 H new ATOM 0 HB VAL A 59 19.632 -2.241 -2.173 1.00 41.31 H new ATOM 0 HG11 VAL A 59 17.718 -3.403 -1.150 1.00 45.21 H new ATOM 0 HG12 VAL A 59 17.307 -1.736 -1.617 1.00 45.21 H new ATOM 0 HG13 VAL A 59 16.756 -3.101 -2.617 1.00 45.21 H new ATOM 0 HG21 VAL A 59 19.402 -4.678 -2.433 1.00 64.15 H new ATOM 0 HG22 VAL A 59 18.509 -4.428 -3.952 1.00 64.15 H new ATOM 0 HG23 VAL A 59 20.216 -3.938 -3.832 1.00 64.15 H new ATOM 877 N PRO A 60 20.644 -0.295 -3.826 1.00 52.13 N ATOM 878 CA PRO A 60 21.965 0.224 -4.194 1.00 74.02 C ATOM 879 C PRO A 60 23.074 -0.795 -3.958 1.00 61.11 C ATOM 880 O PRO A 60 23.485 -1.028 -2.822 1.00 41.12 O ATOM 881 CB PRO A 60 22.142 1.431 -3.270 1.00 34.05 C ATOM 882 CG PRO A 60 21.277 1.137 -2.093 1.00 33.33 C ATOM 883 CD PRO A 60 20.103 0.363 -2.625 1.00 34.50 C ATOM 0 HA PRO A 60 22.026 0.469 -5.254 1.00 74.02 H new ATOM 0 HB2 PRO A 60 23.184 1.554 -2.975 1.00 34.05 H new ATOM 0 HB3 PRO A 60 21.839 2.355 -3.763 1.00 34.05 H new ATOM 0 HG2 PRO A 60 21.819 0.558 -1.345 1.00 33.33 H new ATOM 0 HG3 PRO A 60 20.951 2.057 -1.609 1.00 33.33 H new ATOM 0 HD2 PRO A 60 19.738 -0.363 -1.899 1.00 34.50 H new ATOM 0 HD3 PRO A 60 19.267 1.018 -2.868 1.00 34.50 H new ATOM 891 N GLY A 61 23.556 -1.400 -5.040 1.00 33.22 N ATOM 892 CA GLY A 61 24.614 -2.387 -4.928 1.00 72.24 C ATOM 893 C GLY A 61 24.935 -3.045 -6.256 1.00 20.13 C ATOM 894 O GLY A 61 24.649 -2.491 -7.317 1.00 61.24 O ATOM 0 H GLY A 61 23.233 -1.224 -5.991 1.00 33.22 H new ATOM 0 HA2 GLY A 61 25.512 -1.910 -4.536 1.00 72.24 H new ATOM 0 HA3 GLY A 61 24.319 -3.151 -4.209 1.00 72.24 H new ATOM 898 N LYS A 62 25.533 -4.230 -6.197 1.00 70.23 N ATOM 899 CA LYS A 62 25.895 -4.965 -7.403 1.00 74.54 C ATOM 900 C LYS A 62 24.785 -5.932 -7.805 1.00 53.50 C ATOM 901 O LYS A 62 23.895 -6.236 -7.010 1.00 53.22 O ATOM 902 CB LYS A 62 27.200 -5.734 -7.185 1.00 32.01 C ATOM 903 CG LYS A 62 28.424 -5.023 -7.735 1.00 11.31 C ATOM 904 CD LYS A 62 29.559 -5.004 -6.725 1.00 31.12 C ATOM 905 CE LYS A 62 30.545 -6.135 -6.973 1.00 73.52 C ATOM 906 NZ LYS A 62 31.134 -6.646 -5.705 1.00 20.24 N ATOM 0 H LYS A 62 25.777 -4.702 -5.326 1.00 70.23 H new ATOM 0 HA LYS A 62 26.035 -4.244 -8.208 1.00 74.54 H new ATOM 0 HB2 LYS A 62 27.338 -5.904 -6.117 1.00 32.01 H new ATOM 0 HB3 LYS A 62 27.117 -6.714 -7.655 1.00 32.01 H new ATOM 0 HG2 LYS A 62 28.755 -5.520 -8.647 1.00 11.31 H new ATOM 0 HG3 LYS A 62 28.161 -4.001 -8.007 1.00 11.31 H new ATOM 0 HD2 LYS A 62 30.079 -4.048 -6.779 1.00 31.12 H new ATOM 0 HD3 LYS A 62 29.152 -5.089 -5.717 1.00 31.12 H new ATOM 0 HE2 LYS A 62 30.040 -6.949 -7.493 1.00 73.52 H new ATOM 0 HE3 LYS A 62 31.342 -5.784 -7.628 1.00 73.52 H new ATOM 0 HZ1 LYS A 62 31.800 -7.416 -5.917 1.00 20.24 H new ATOM 0 HZ2 LYS A 62 31.638 -5.876 -5.221 1.00 20.24 H new ATOM 0 HZ3 LYS A 62 30.376 -7.004 -5.090 1.00 20.24 H new ATOM 920 N CYS A 63 24.844 -6.412 -9.043 1.00 32.05 N ATOM 921 CA CYS A 63 23.845 -7.345 -9.550 1.00 13.42 C ATOM 922 C CYS A 63 24.418 -8.755 -9.649 1.00 62.24 C ATOM 923 O CYS A 63 25.593 -8.937 -9.968 1.00 1.54 O ATOM 924 CB CYS A 63 23.341 -6.889 -10.921 1.00 20.12 C ATOM 925 SG CYS A 63 22.187 -8.054 -11.714 1.00 35.15 S ATOM 0 H CYS A 63 25.573 -6.170 -9.714 1.00 32.05 H new ATOM 0 HA CYS A 63 23.010 -7.360 -8.850 1.00 13.42 H new ATOM 0 HB2 CYS A 63 22.848 -5.923 -10.812 1.00 20.12 H new ATOM 0 HB3 CYS A 63 24.197 -6.737 -11.579 1.00 20.12 H new ATOM 930 N GLN A 64 23.580 -9.750 -9.375 1.00 50.42 N ATOM 931 CA GLN A 64 24.004 -11.143 -9.434 1.00 31.55 C ATOM 932 C GLN A 64 22.904 -12.023 -10.019 1.00 11.12 C ATOM 933 O GLN A 64 21.832 -11.536 -10.381 1.00 61.31 O ATOM 934 CB GLN A 64 24.383 -11.642 -8.038 1.00 45.11 C ATOM 935 CG GLN A 64 25.864 -11.949 -7.884 1.00 22.03 C ATOM 936 CD GLN A 64 26.372 -12.919 -8.933 1.00 13.33 C ATOM 937 OE1 GLN A 64 27.167 -12.554 -9.799 1.00 5.13 O ATOM 938 NE2 GLN A 64 25.913 -14.163 -8.860 1.00 50.35 N ATOM 0 H GLN A 64 22.604 -9.617 -9.110 1.00 50.42 H new ATOM 0 HA GLN A 64 24.877 -11.203 -10.084 1.00 31.55 H new ATOM 0 HB2 GLN A 64 24.098 -10.890 -7.302 1.00 45.11 H new ATOM 0 HB3 GLN A 64 23.809 -12.541 -7.814 1.00 45.11 H new ATOM 0 HG2 GLN A 64 26.432 -11.021 -7.948 1.00 22.03 H new ATOM 0 HG3 GLN A 64 26.044 -12.365 -6.893 1.00 22.03 H new ATOM 0 HE21 GLN A 64 25.255 -14.421 -8.125 1.00 50.35 H new ATOM 0 HE22 GLN A 64 26.219 -14.860 -9.539 1.00 50.35 H new