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+ 154:sc= 0.141 (180deg=0) USER MOD Set 1.2: A 14 TYR OH : rot 0:sc= -0.631 USER MOD Set 2.1: A 5 TYR OH : rot 108:sc= -0.807 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.316 K(o=-0.49,f=-1.7!) USER MOD Single : A 1 VAL N :NH3+ 152:sc= -0.217 (180deg=-0.493) USER MOD Single : A 11 ASN : amide:sc= -2.07 K(o=-2.1,f=-9.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 20 GLN : amide:sc= -0.0507 K(o=-0.051,f=-1.4) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -73:sc= 0.67 USER MOD Single : A 29 ASN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 33 SER OG : rot 98:sc= 0.0206 USER MOD Single : A 35 TYR OH : rot -65:sc= 0.12 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 : amide:sc= 0.0473 K(o=0.047,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= -0.0611 (180deg=-1.75!) 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= -2.26 K(o=-2.3,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.167 -0.129 -0.158 1.00 2.35 N ATOM 2 CA VAL A 1 2.011 -0.128 -1.347 1.00 15.01 C ATOM 3 C VAL A 1 2.607 1.253 -1.597 1.00 31.42 C ATOM 4 O VAL A 1 2.138 2.251 -1.050 1.00 32.12 O ATOM 5 CB VAL A 1 1.222 -0.568 -2.595 1.00 12.15 C ATOM 6 CG1 VAL A 1 0.984 -2.070 -2.574 1.00 34.14 C ATOM 7 CG2 VAL A 1 -0.095 0.188 -2.686 1.00 33.25 C ATOM 0 H1 VAL A 1 0.433 -0.859 -0.254 1.00 2.35 H new ATOM 0 H2 VAL A 1 1.748 -0.331 0.680 1.00 2.35 H new ATOM 0 H3 VAL A 1 0.717 0.803 -0.051 1.00 2.35 H new ATOM 0 HA VAL A 1 2.816 -0.840 -1.165 1.00 15.01 H new ATOM 0 HB VAL A 1 1.813 -0.331 -3.480 1.00 12.15 H new ATOM 0 HG11 VAL A 1 0.425 -2.362 -3.463 1.00 34.14 H new ATOM 0 HG12 VAL A 1 1.942 -2.590 -2.560 1.00 34.14 H new ATOM 0 HG13 VAL A 1 0.414 -2.336 -1.684 1.00 34.14 H new ATOM 0 HG21 VAL A 1 -0.639 -0.135 -3.573 1.00 33.25 H new ATOM 0 HG22 VAL A 1 -0.694 -0.016 -1.798 1.00 33.25 H new ATOM 0 HG23 VAL A 1 0.103 1.258 -2.752 1.00 33.25 H new ATOM 17 N ARG A 2 3.644 1.302 -2.427 1.00 35.10 N ATOM 18 CA ARG A 2 4.305 2.561 -2.749 1.00 60.53 C ATOM 19 C ARG A 2 5.002 2.477 -4.104 1.00 25.21 C ATOM 20 O ARG A 2 5.434 1.404 -4.526 1.00 24.23 O ATOM 21 CB ARG A 2 5.320 2.921 -1.663 1.00 33.24 C ATOM 22 CG ARG A 2 6.512 1.979 -1.606 1.00 53.31 C ATOM 23 CD ARG A 2 6.169 0.690 -0.877 1.00 30.14 C ATOM 24 NE ARG A 2 7.356 0.041 -0.326 1.00 35.33 N ATOM 25 CZ ARG A 2 7.316 -0.847 0.662 1.00 70.14 C ATOM 26 NH1 ARG A 2 6.155 -1.190 1.203 1.00 3.13 N ATOM 27 NH2 ARG A 2 8.439 -1.394 1.109 1.00 70.53 N ATOM 0 H ARG A 2 4.044 0.485 -2.888 1.00 35.10 H new ATOM 0 HA ARG A 2 3.544 3.340 -2.798 1.00 60.53 H new ATOM 0 HB2 ARG A 2 5.678 3.936 -1.834 1.00 33.24 H new ATOM 0 HB3 ARG A 2 4.819 2.919 -0.695 1.00 33.24 H new ATOM 0 HG2 ARG A 2 6.844 1.748 -2.618 1.00 53.31 H new ATOM 0 HG3 ARG A 2 7.343 2.473 -1.103 1.00 53.31 H new ATOM 0 HD2 ARG A 2 5.466 0.905 -0.072 1.00 30.14 H new ATOM 0 HD3 ARG A 2 5.668 0.007 -1.563 1.00 30.14 H new ATOM 0 HE ARG A 2 8.265 0.282 -0.721 1.00 35.33 H new ATOM 0 HH11 ARG A 2 5.290 -0.772 0.861 1.00 3.13 H new ATOM 0 HH12 ARG A 2 6.127 -1.872 1.961 1.00 3.13 H new ATOM 0 HH21 ARG A 2 9.334 -1.133 0.694 1.00 70.53 H new ATOM 0 HH22 ARG A 2 8.408 -2.075 1.867 1.00 70.53 H new ATOM 41 N ASP A 3 5.108 3.615 -4.780 1.00 41.23 N ATOM 42 CA ASP A 3 5.753 3.671 -6.087 1.00 3.21 C ATOM 43 C ASP A 3 7.270 3.578 -5.949 1.00 13.14 C ATOM 44 O ASP A 3 7.833 3.951 -4.920 1.00 40.41 O ATOM 45 CB ASP A 3 5.373 4.963 -6.812 1.00 42.02 C ATOM 46 CG ASP A 3 4.031 5.506 -6.362 1.00 42.14 C ATOM 47 OD1 ASP A 3 3.076 4.709 -6.248 1.00 4.13 O ATOM 48 OD2 ASP A 3 3.936 6.728 -6.124 1.00 52.12 O ATOM 0 H ASP A 3 4.756 4.512 -4.445 1.00 41.23 H new ATOM 0 HA ASP A 3 5.406 2.819 -6.672 1.00 3.21 H new ATOM 0 HB2 ASP A 3 6.143 5.714 -6.637 1.00 42.02 H new ATOM 0 HB3 ASP A 3 5.346 4.779 -7.886 1.00 42.02 H new ATOM 53 N ALA A 4 7.924 3.077 -6.991 1.00 22.31 N ATOM 54 CA ALA A 4 9.375 2.935 -6.986 1.00 11.40 C ATOM 55 C ALA A 4 9.871 2.322 -8.291 1.00 2.20 C ATOM 56 O ALA A 4 9.092 2.096 -9.217 1.00 65.24 O ATOM 57 CB ALA A 4 9.819 2.090 -5.801 1.00 52.41 C ATOM 0 H ALA A 4 7.472 2.762 -7.850 1.00 22.31 H new ATOM 0 HA ALA A 4 9.812 3.929 -6.893 1.00 11.40 H new ATOM 0 HB1 ALA A 4 10.905 1.992 -5.810 1.00 52.41 H new ATOM 0 HB2 ALA A 4 9.506 2.570 -4.874 1.00 52.41 H new ATOM 0 HB3 ALA A 4 9.365 1.101 -5.869 1.00 52.41 H new ATOM 63 N TYR A 5 11.171 2.056 -8.357 1.00 51.44 N ATOM 64 CA TYR A 5 11.772 1.472 -9.551 1.00 15.22 C ATOM 65 C TYR A 5 11.845 -0.047 -9.435 1.00 62.35 C ATOM 66 O TYR A 5 12.822 -0.595 -8.925 1.00 25.32 O ATOM 67 CB TYR A 5 13.171 2.046 -9.776 1.00 4.21 C ATOM 68 CG TYR A 5 13.232 3.079 -10.878 1.00 41.32 C ATOM 69 CD1 TYR A 5 12.795 2.779 -12.163 1.00 2.42 C ATOM 70 CD2 TYR A 5 13.727 4.355 -10.636 1.00 22.42 C ATOM 71 CE1 TYR A 5 12.849 3.720 -13.173 1.00 64.24 C ATOM 72 CE2 TYR A 5 13.784 5.302 -11.640 1.00 33.31 C ATOM 73 CZ TYR A 5 13.344 4.980 -12.907 1.00 31.51 C ATOM 74 OH TYR A 5 13.400 5.920 -13.910 1.00 71.31 O ATOM 0 H TYR A 5 11.829 2.235 -7.598 1.00 51.44 H new ATOM 0 HA TYR A 5 11.143 1.723 -10.405 1.00 15.22 H new ATOM 0 HB2 TYR A 5 13.523 2.496 -8.848 1.00 4.21 H new ATOM 0 HB3 TYR A 5 13.855 1.231 -10.015 1.00 4.21 H new ATOM 0 HD1 TYR A 5 12.407 1.794 -12.375 1.00 2.42 H new ATOM 0 HD2 TYR A 5 14.073 4.611 -9.645 1.00 22.42 H new ATOM 0 HE1 TYR A 5 12.505 3.470 -14.166 1.00 64.24 H new ATOM 0 HE2 TYR A 5 14.171 6.289 -11.434 1.00 33.31 H new ATOM 0 HH TYR A 5 12.715 6.604 -13.756 1.00 71.31 H new ATOM 84 N ILE A 6 10.805 -0.721 -9.914 1.00 61.43 N ATOM 85 CA ILE A 6 10.752 -2.177 -9.867 1.00 73.21 C ATOM 86 C ILE A 6 11.951 -2.795 -10.579 1.00 54.40 C ATOM 87 O ILE A 6 12.442 -2.256 -11.570 1.00 52.23 O ATOM 88 CB ILE A 6 9.457 -2.714 -10.506 1.00 22.11 C ATOM 89 CG1 ILE A 6 9.454 -4.244 -10.496 1.00 64.12 C ATOM 90 CG2 ILE A 6 9.309 -2.188 -11.926 1.00 3.44 C ATOM 91 CD1 ILE A 6 8.085 -4.847 -10.721 1.00 65.20 C ATOM 0 H ILE A 6 9.988 -0.282 -10.339 1.00 61.43 H new ATOM 0 HA ILE A 6 10.773 -2.459 -8.814 1.00 73.21 H new ATOM 0 HB ILE A 6 8.608 -2.364 -9.919 1.00 22.11 H new ATOM 0 HG12 ILE A 6 10.133 -4.606 -11.268 1.00 64.12 H new ATOM 0 HG13 ILE A 6 9.844 -4.594 -9.540 1.00 64.12 H new ATOM 0 HG21 ILE A 6 8.389 -2.576 -12.364 1.00 3.44 H new ATOM 0 HG22 ILE A 6 9.271 -1.099 -11.908 1.00 3.44 H new ATOM 0 HG23 ILE A 6 10.161 -2.512 -12.524 1.00 3.44 H new ATOM 0 HD11 ILE A 6 8.159 -5.934 -10.701 1.00 65.20 H new ATOM 0 HD12 ILE A 6 7.407 -4.515 -9.934 1.00 65.20 H new ATOM 0 HD13 ILE A 6 7.701 -4.527 -11.690 1.00 65.20 H new ATOM 103 N ALA A 7 12.416 -3.930 -10.067 1.00 53.52 N ATOM 104 CA ALA A 7 13.554 -4.623 -10.656 1.00 45.02 C ATOM 105 C ALA A 7 13.503 -6.117 -10.356 1.00 32.14 C ATOM 106 O ALA A 7 12.591 -6.594 -9.680 1.00 74.12 O ATOM 107 CB ALA A 7 14.858 -4.025 -10.147 1.00 15.12 C ATOM 0 H ALA A 7 12.022 -4.389 -9.246 1.00 53.52 H new ATOM 0 HA ALA A 7 13.505 -4.494 -11.737 1.00 45.02 H new ATOM 0 HB1 ALA A 7 15.700 -4.553 -10.595 1.00 15.12 H new ATOM 0 HB2 ALA A 7 14.905 -2.970 -10.418 1.00 15.12 H new ATOM 0 HB3 ALA A 7 14.904 -4.123 -9.062 1.00 15.12 H new ATOM 113 N LYS A 8 14.487 -6.852 -10.862 1.00 22.02 N ATOM 114 CA LYS A 8 14.555 -8.293 -10.648 1.00 2.34 C ATOM 115 C LYS A 8 15.875 -8.683 -9.991 1.00 64.42 C ATOM 116 O LYS A 8 16.944 -8.183 -10.344 1.00 14.15 O ATOM 117 CB LYS A 8 14.395 -9.035 -11.976 1.00 52.34 C ATOM 118 CG LYS A 8 14.554 -10.540 -11.855 1.00 65.33 C ATOM 119 CD LYS A 8 15.248 -11.127 -13.073 1.00 61.22 C ATOM 120 CE LYS A 8 14.577 -10.684 -14.364 1.00 43.03 C ATOM 121 NZ LYS A 8 14.580 -11.764 -15.390 1.00 13.22 N ATOM 0 H LYS A 8 15.249 -6.473 -11.424 1.00 22.02 H new ATOM 0 HA LYS A 8 13.740 -8.575 -9.981 1.00 2.34 H new ATOM 0 HB2 LYS A 8 13.411 -8.814 -12.390 1.00 52.34 H new ATOM 0 HB3 LYS A 8 15.131 -8.656 -12.685 1.00 52.34 H new ATOM 0 HG2 LYS A 8 15.129 -10.775 -10.959 1.00 65.33 H new ATOM 0 HG3 LYS A 8 13.574 -11.002 -11.736 1.00 65.33 H new ATOM 0 HD2 LYS A 8 16.294 -10.819 -13.081 1.00 61.22 H new ATOM 0 HD3 LYS A 8 15.237 -12.215 -13.010 1.00 61.22 H new ATOM 0 HE2 LYS A 8 13.550 -10.384 -14.155 1.00 43.03 H new ATOM 0 HE3 LYS A 8 15.091 -9.807 -14.758 1.00 43.03 H new ATOM 0 HZ1 LYS A 8 13.783 -11.624 -16.044 1.00 13.22 H new ATOM 0 HZ2 LYS A 8 15.473 -11.735 -15.922 1.00 13.22 H new ATOM 0 HZ3 LYS A 8 14.486 -12.688 -14.922 1.00 13.22 H new ATOM 135 N PRO A 9 15.803 -9.600 -9.015 1.00 23.14 N ATOM 136 CA PRO A 9 16.984 -10.080 -8.290 1.00 41.42 C ATOM 137 C PRO A 9 17.891 -10.939 -9.164 1.00 72.32 C ATOM 138 O PRO A 9 17.455 -11.485 -10.177 1.00 72.31 O ATOM 139 CB PRO A 9 16.388 -10.915 -7.154 1.00 43.40 C ATOM 140 CG PRO A 9 15.059 -11.354 -7.664 1.00 21.04 C ATOM 141 CD PRO A 9 14.563 -10.239 -8.543 1.00 25.33 C ATOM 0 HA PRO A 9 17.614 -9.259 -7.948 1.00 41.42 H new ATOM 0 HB2 PRO A 9 17.022 -11.769 -6.915 1.00 43.40 H new ATOM 0 HB3 PRO A 9 16.288 -10.328 -6.241 1.00 43.40 H new ATOM 0 HG2 PRO A 9 15.144 -12.285 -8.225 1.00 21.04 H new ATOM 0 HG3 PRO A 9 14.368 -11.540 -6.842 1.00 21.04 H new ATOM 0 HD2 PRO A 9 13.965 -10.617 -9.372 1.00 25.33 H new ATOM 0 HD3 PRO A 9 13.936 -9.540 -7.990 1.00 25.33 H new ATOM 149 N GLU A 10 19.153 -11.055 -8.765 1.00 25.20 N ATOM 150 CA GLU A 10 19.636 -10.394 -7.558 1.00 30.50 C ATOM 151 C GLU A 10 20.056 -8.958 -7.855 1.00 45.01 C ATOM 152 O GLU A 10 21.022 -8.720 -8.580 1.00 34.11 O ATOM 153 CB GLU A 10 20.813 -11.169 -6.962 1.00 21.14 C ATOM 154 CG GLU A 10 20.821 -11.189 -5.442 1.00 44.03 C ATOM 155 CD GLU A 10 20.587 -9.817 -4.840 1.00 21.44 C ATOM 156 OE1 GLU A 10 19.427 -9.355 -4.848 1.00 61.30 O ATOM 157 OE2 GLU A 10 21.565 -9.206 -4.359 1.00 73.40 O ATOM 0 H GLU A 10 19.859 -11.600 -9.259 1.00 25.20 H new ATOM 0 HA GLU A 10 18.821 -10.373 -6.835 1.00 30.50 H new ATOM 0 HB2 GLU A 10 20.786 -12.194 -7.330 1.00 21.14 H new ATOM 0 HB3 GLU A 10 21.745 -10.728 -7.316 1.00 21.14 H new ATOM 0 HG2 GLU A 10 20.051 -11.874 -5.087 1.00 44.03 H new ATOM 0 HG3 GLU A 10 21.778 -11.577 -5.092 1.00 44.03 H new ATOM 164 N ASN A 11 19.324 -8.004 -7.290 1.00 33.12 N ATOM 165 CA ASN A 11 19.619 -6.591 -7.495 1.00 2.34 C ATOM 166 C ASN A 11 19.953 -6.311 -8.957 1.00 24.13 C ATOM 167 O ASN A 11 21.098 -6.010 -9.297 1.00 11.12 O ATOM 168 CB ASN A 11 20.784 -6.157 -6.602 1.00 34.23 C ATOM 169 CG ASN A 11 20.689 -4.699 -6.195 1.00 35.41 C ATOM 170 OD1 ASN A 11 19.606 -4.113 -6.192 1.00 72.52 O ATOM 171 ND2 ASN A 11 21.825 -4.107 -5.849 1.00 3.53 N ATOM 0 H ASN A 11 18.522 -8.184 -6.686 1.00 33.12 H new ATOM 0 HA ASN A 11 18.731 -6.018 -7.228 1.00 2.34 H new ATOM 0 HB2 ASN A 11 20.805 -6.780 -5.708 1.00 34.23 H new ATOM 0 HB3 ASN A 11 21.724 -6.324 -7.129 1.00 34.23 H new ATOM 0 HD21 ASN A 11 21.824 -3.127 -5.566 1.00 3.53 H new ATOM 0 HD22 ASN A 11 22.699 -4.632 -5.866 1.00 3.53 H new ATOM 178 N CYS A 12 18.946 -6.412 -9.818 1.00 25.42 N ATOM 179 CA CYS A 12 19.132 -6.171 -11.244 1.00 14.45 C ATOM 180 C CYS A 12 17.996 -5.319 -11.803 1.00 12.22 C ATOM 181 O CYS A 12 16.823 -5.571 -11.527 1.00 54.53 O ATOM 182 CB CYS A 12 19.210 -7.498 -12.001 1.00 55.52 C ATOM 183 SG CYS A 12 20.877 -7.911 -12.606 1.00 62.53 S ATOM 0 H CYS A 12 17.993 -6.659 -9.553 1.00 25.42 H new ATOM 0 HA CYS A 12 20.069 -5.630 -11.377 1.00 14.45 H new ATOM 0 HB2 CYS A 12 18.864 -8.298 -11.347 1.00 55.52 H new ATOM 0 HB3 CYS A 12 18.526 -7.461 -12.849 1.00 55.52 H new ATOM 188 N VAL A 13 18.353 -4.309 -12.590 1.00 60.35 N ATOM 189 CA VAL A 13 17.365 -3.421 -13.190 1.00 52.31 C ATOM 190 C VAL A 13 16.677 -4.085 -14.378 1.00 4.02 C ATOM 191 O VAL A 13 17.209 -5.024 -14.971 1.00 44.40 O ATOM 192 CB VAL A 13 18.006 -2.100 -13.655 1.00 64.02 C ATOM 193 CG1 VAL A 13 18.706 -1.409 -12.495 1.00 43.41 C ATOM 194 CG2 VAL A 13 18.977 -2.353 -14.799 1.00 75.32 C ATOM 0 H VAL A 13 19.320 -4.086 -12.827 1.00 60.35 H new ATOM 0 HA VAL A 13 16.625 -3.206 -12.419 1.00 52.31 H new ATOM 0 HB VAL A 13 17.217 -1.441 -14.017 1.00 64.02 H new ATOM 0 HG11 VAL A 13 19.153 -0.478 -12.843 1.00 43.41 H new ATOM 0 HG12 VAL A 13 17.982 -1.193 -11.710 1.00 43.41 H new ATOM 0 HG13 VAL A 13 19.486 -2.060 -12.100 1.00 43.41 H new ATOM 0 HG21 VAL A 13 19.421 -1.409 -15.115 1.00 75.32 H new ATOM 0 HG22 VAL A 13 19.764 -3.030 -14.466 1.00 75.32 H new ATOM 0 HG23 VAL A 13 18.443 -2.802 -15.637 1.00 75.32 H new ATOM 204 N TYR A 14 15.493 -3.592 -14.720 1.00 54.41 N ATOM 205 CA TYR A 14 14.731 -4.139 -15.836 1.00 55.54 C ATOM 206 C TYR A 14 14.634 -3.129 -16.976 1.00 60.35 C ATOM 207 O TYR A 14 13.830 -2.199 -16.929 1.00 42.12 O ATOM 208 CB TYR A 14 13.328 -4.540 -15.376 1.00 23.11 C ATOM 209 CG TYR A 14 13.036 -6.014 -15.541 1.00 73.31 C ATOM 210 CD1 TYR A 14 13.319 -6.670 -16.733 1.00 13.21 C ATOM 211 CD2 TYR A 14 12.477 -6.752 -14.504 1.00 50.15 C ATOM 212 CE1 TYR A 14 13.052 -8.016 -16.888 1.00 63.33 C ATOM 213 CE2 TYR A 14 12.209 -8.099 -14.650 1.00 75.24 C ATOM 214 CZ TYR A 14 12.497 -8.727 -15.844 1.00 44.33 C ATOM 215 OH TYR A 14 12.232 -10.068 -15.995 1.00 32.53 O ATOM 0 H TYR A 14 15.039 -2.814 -14.241 1.00 54.41 H new ATOM 0 HA TYR A 14 15.254 -5.023 -16.200 1.00 55.54 H new ATOM 0 HB2 TYR A 14 13.207 -4.269 -14.327 1.00 23.11 H new ATOM 0 HB3 TYR A 14 12.592 -3.967 -15.940 1.00 23.11 H new ATOM 0 HD1 TYR A 14 13.755 -6.118 -17.552 1.00 13.21 H new ATOM 0 HD2 TYR A 14 12.248 -6.264 -13.568 1.00 50.15 H new ATOM 0 HE1 TYR A 14 13.277 -8.510 -17.822 1.00 63.33 H new ATOM 0 HE2 TYR A 14 11.776 -8.658 -13.833 1.00 75.24 H new ATOM 0 HH TYR A 14 12.496 -10.354 -16.894 1.00 32.53 H new ATOM 225 N GLU A 15 15.460 -3.322 -18.000 1.00 72.23 N ATOM 226 CA GLU A 15 15.468 -2.429 -19.153 1.00 0.01 C ATOM 227 C GLU A 15 14.325 -2.763 -20.108 1.00 4.52 C ATOM 228 O GLU A 15 14.186 -3.902 -20.553 1.00 40.05 O ATOM 229 CB GLU A 15 16.806 -2.522 -19.889 1.00 62.40 C ATOM 230 CG GLU A 15 17.103 -3.907 -20.439 1.00 31.51 C ATOM 231 CD GLU A 15 18.544 -4.062 -20.885 1.00 0.41 C ATOM 232 OE1 GLU A 15 19.074 -3.121 -21.512 1.00 40.25 O ATOM 233 OE2 GLU A 15 19.141 -5.122 -20.607 1.00 25.21 O ATOM 0 H GLU A 15 16.131 -4.088 -18.055 1.00 72.23 H new ATOM 0 HA GLU A 15 15.331 -1.410 -18.792 1.00 0.01 H new ATOM 0 HB2 GLU A 15 16.810 -1.806 -20.710 1.00 62.40 H new ATOM 0 HB3 GLU A 15 17.606 -2.231 -19.209 1.00 62.40 H new ATOM 0 HG2 GLU A 15 16.881 -4.652 -19.675 1.00 31.51 H new ATOM 0 HG3 GLU A 15 16.442 -4.108 -21.282 1.00 31.51 H new ATOM 240 N CYS A 16 13.509 -1.760 -20.417 1.00 64.55 N ATOM 241 CA CYS A 16 12.378 -1.945 -21.318 1.00 60.40 C ATOM 242 C CYS A 16 12.466 -0.991 -22.505 1.00 41.33 C ATOM 243 O CYS A 16 13.440 -0.254 -22.652 1.00 43.10 O ATOM 244 CB CYS A 16 11.062 -1.725 -20.569 1.00 61.42 C ATOM 245 SG CYS A 16 11.054 -0.253 -19.496 1.00 62.33 S ATOM 0 H CYS A 16 13.610 -0.811 -20.057 1.00 64.55 H new ATOM 0 HA CYS A 16 12.408 -2.968 -21.694 1.00 60.40 H new ATOM 0 HB2 CYS A 16 10.254 -1.637 -21.295 1.00 61.42 H new ATOM 0 HB3 CYS A 16 10.850 -2.605 -19.962 1.00 61.42 H new ATOM 250 N GLY A 17 11.440 -1.010 -23.351 1.00 11.13 N ATOM 251 CA GLY A 17 11.421 -0.142 -24.514 1.00 34.33 C ATOM 252 C GLY A 17 10.817 -0.816 -25.730 1.00 63.30 C ATOM 253 O GLY A 17 9.968 -0.240 -26.410 1.00 41.50 O ATOM 0 H GLY A 17 10.622 -1.611 -23.252 1.00 11.13 H new ATOM 0 HA2 GLY A 17 10.853 0.759 -24.282 1.00 34.33 H new ATOM 0 HA3 GLY A 17 12.439 0.173 -24.745 1.00 34.33 H new ATOM 257 N ILE A 18 11.257 -2.039 -26.006 1.00 22.42 N ATOM 258 CA ILE A 18 10.755 -2.792 -27.149 1.00 1.42 C ATOM 259 C ILE A 18 9.527 -3.612 -26.770 1.00 73.12 C ATOM 260 O ILE A 18 8.706 -3.953 -27.623 1.00 41.30 O ATOM 261 CB ILE A 18 11.832 -3.733 -27.720 1.00 34.52 C ATOM 262 CG1 ILE A 18 12.391 -4.632 -26.616 1.00 25.45 C ATOM 263 CG2 ILE A 18 12.946 -2.930 -28.372 1.00 44.32 C ATOM 264 CD1 ILE A 18 13.047 -5.892 -27.136 1.00 72.43 C ATOM 0 H ILE A 18 11.960 -2.530 -25.454 1.00 22.42 H new ATOM 0 HA ILE A 18 10.481 -2.063 -27.912 1.00 1.42 H new ATOM 0 HB ILE A 18 11.375 -4.365 -28.481 1.00 34.52 H new ATOM 0 HG12 ILE A 18 13.119 -4.068 -26.033 1.00 25.45 H new ATOM 0 HG13 ILE A 18 11.583 -4.906 -25.938 1.00 25.45 H new ATOM 0 HG21 ILE A 18 13.699 -3.610 -28.771 1.00 44.32 H new ATOM 0 HG22 ILE A 18 12.535 -2.329 -29.183 1.00 44.32 H new ATOM 0 HG23 ILE A 18 13.404 -2.275 -27.631 1.00 44.32 H new ATOM 0 HD11 ILE A 18 13.420 -6.481 -26.298 1.00 72.43 H new ATOM 0 HD12 ILE A 18 12.317 -6.478 -27.695 1.00 72.43 H new ATOM 0 HD13 ILE A 18 13.877 -5.626 -27.791 1.00 72.43 H new ATOM 276 N THR A 19 9.405 -3.926 -25.484 1.00 53.10 N ATOM 277 CA THR A 19 8.276 -4.706 -24.991 1.00 44.33 C ATOM 278 C THR A 19 7.087 -3.808 -24.667 1.00 65.33 C ATOM 279 O THR A 19 6.002 -3.977 -25.222 1.00 63.05 O ATOM 280 CB THR A 19 8.656 -5.510 -23.734 1.00 12.04 C ATOM 281 OG1 THR A 19 9.485 -4.717 -22.877 1.00 22.12 O ATOM 282 CG2 THR A 19 9.385 -6.791 -24.110 1.00 12.01 C ATOM 0 H THR A 19 10.074 -3.652 -24.765 1.00 53.10 H new ATOM 0 HA THR A 19 7.998 -5.398 -25.786 1.00 44.33 H new ATOM 0 HB THR A 19 7.739 -5.774 -23.208 1.00 12.04 H new ATOM 0 HG1 THR A 19 9.721 -5.235 -22.079 1.00 22.12 H new ATOM 0 HG21 THR A 19 9.643 -7.342 -23.205 1.00 12.01 H new ATOM 0 HG22 THR A 19 8.740 -7.406 -24.738 1.00 12.01 H new ATOM 0 HG23 THR A 19 10.295 -6.545 -24.657 1.00 12.01 H new ATOM 290 N GLN A 20 7.300 -2.855 -23.766 1.00 41.43 N ATOM 291 CA GLN A 20 6.244 -1.931 -23.369 1.00 44.42 C ATOM 292 C GLN A 20 5.086 -2.676 -22.715 1.00 21.23 C ATOM 293 O GLN A 20 3.929 -2.506 -23.100 1.00 21.53 O ATOM 294 CB GLN A 20 5.741 -1.146 -24.582 1.00 61.32 C ATOM 295 CG GLN A 20 4.868 0.044 -24.218 1.00 23.12 C ATOM 296 CD GLN A 20 5.658 1.333 -24.103 1.00 33.03 C ATOM 297 OE1 GLN A 20 6.889 1.322 -24.090 1.00 70.54 O ATOM 298 NE2 GLN A 20 4.952 2.454 -24.018 1.00 15.32 N ATOM 0 H GLN A 20 8.193 -2.702 -23.297 1.00 41.43 H new ATOM 0 HA GLN A 20 6.661 -1.234 -22.642 1.00 44.42 H new ATOM 0 HB2 GLN A 20 6.597 -0.795 -25.158 1.00 61.32 H new ATOM 0 HB3 GLN A 20 5.175 -1.816 -25.229 1.00 61.32 H new ATOM 0 HG2 GLN A 20 4.091 0.164 -24.973 1.00 23.12 H new ATOM 0 HG3 GLN A 20 4.365 -0.155 -23.272 1.00 23.12 H new ATOM 0 HE21 GLN A 20 3.933 2.417 -24.033 1.00 15.32 H new ATOM 0 HE22 GLN A 20 5.429 3.352 -23.938 1.00 15.32 H new ATOM 307 N ASP A 21 5.405 -3.502 -21.724 1.00 61.03 N ATOM 308 CA ASP A 21 4.391 -4.274 -21.015 1.00 53.44 C ATOM 309 C ASP A 21 4.576 -4.157 -19.506 1.00 20.23 C ATOM 310 O ASP A 21 4.150 -5.030 -18.748 1.00 41.50 O ATOM 311 CB ASP A 21 4.450 -5.743 -21.437 1.00 54.42 C ATOM 312 CG ASP A 21 3.630 -6.021 -22.682 1.00 15.14 C ATOM 313 OD1 ASP A 21 2.468 -5.565 -22.742 1.00 3.24 O ATOM 314 OD2 ASP A 21 4.149 -6.694 -23.596 1.00 2.02 O ATOM 0 H ASP A 21 6.358 -3.654 -21.394 1.00 61.03 H new ATOM 0 HA ASP A 21 3.413 -3.869 -21.275 1.00 53.44 H new ATOM 0 HB2 ASP A 21 5.487 -6.025 -21.618 1.00 54.42 H new ATOM 0 HB3 ASP A 21 4.088 -6.368 -20.620 1.00 54.42 H new ATOM 319 N CYS A 22 5.215 -3.075 -19.075 1.00 2.21 N ATOM 320 CA CYS A 22 5.459 -2.844 -17.656 1.00 60.12 C ATOM 321 C CYS A 22 4.168 -2.977 -16.854 1.00 11.23 C ATOM 322 O CYS A 22 4.116 -3.694 -15.856 1.00 24.13 O ATOM 323 CB CYS A 22 6.066 -1.456 -17.441 1.00 30.33 C ATOM 324 SG CYS A 22 7.404 -1.414 -16.206 1.00 3.45 S ATOM 0 H CYS A 22 5.574 -2.343 -19.689 1.00 2.21 H new ATOM 0 HA CYS A 22 6.163 -3.599 -17.306 1.00 60.12 H new ATOM 0 HB2 CYS A 22 6.452 -1.089 -18.392 1.00 30.33 H new ATOM 0 HB3 CYS A 22 5.278 -0.770 -17.131 1.00 30.33 H new ATOM 329 N ASN A 23 3.127 -2.280 -17.298 1.00 42.33 N ATOM 330 CA ASN A 23 1.836 -2.319 -16.622 1.00 33.12 C ATOM 331 C ASN A 23 1.367 -3.758 -16.427 1.00 24.01 C ATOM 332 O ASN A 23 0.795 -4.102 -15.393 1.00 13.13 O ATOM 333 CB ASN A 23 0.793 -1.536 -17.422 1.00 43.31 C ATOM 334 CG ASN A 23 -0.203 -0.820 -16.530 1.00 24.32 C ATOM 335 OD1 ASN A 23 -0.701 -1.522 -15.519 1.00 54.33 O flip ATOM 336 ND2 ASN A 23 -0.519 0.349 -16.747 1.00 13.13 N flip ATOM 0 H ASN A 23 3.153 -1.681 -18.123 1.00 42.33 H new ATOM 0 HA ASN A 23 1.954 -1.857 -15.642 1.00 33.12 H new ATOM 0 HB2 ASN A 23 1.298 -0.807 -18.056 1.00 43.31 H new ATOM 0 HB3 ASN A 23 0.259 -2.218 -18.083 1.00 43.31 H new ATOM 0 HD21 ASN A 23 -0.111 0.850 -17.536 1.00 13.13 H new ATOM 0 HD22 ASN A 23 -1.189 0.818 -16.138 1.00 13.13 H new ATOM 343 N LYS A 24 1.615 -4.596 -17.428 1.00 43.20 N ATOM 344 CA LYS A 24 1.222 -5.998 -17.368 1.00 33.41 C ATOM 345 C LYS A 24 2.022 -6.743 -16.304 1.00 0.00 C ATOM 346 O LYS A 24 1.454 -7.425 -15.450 1.00 4.15 O ATOM 347 CB LYS A 24 1.422 -6.665 -18.731 1.00 51.50 C ATOM 348 CG LYS A 24 0.494 -7.842 -18.975 1.00 14.31 C ATOM 349 CD LYS A 24 0.353 -8.143 -20.458 1.00 13.14 C ATOM 350 CE LYS A 24 -0.746 -9.162 -20.717 1.00 62.34 C ATOM 351 NZ LYS A 24 -0.396 -10.082 -21.835 1.00 51.12 N ATOM 0 H LYS A 24 2.087 -4.328 -18.291 1.00 43.20 H new ATOM 0 HA LYS A 24 0.166 -6.041 -17.101 1.00 33.41 H new ATOM 0 HB2 LYS A 24 1.268 -5.923 -19.515 1.00 51.50 H new ATOM 0 HB3 LYS A 24 2.455 -7.005 -18.812 1.00 51.50 H new ATOM 0 HG2 LYS A 24 0.878 -8.722 -18.459 1.00 14.31 H new ATOM 0 HG3 LYS A 24 -0.487 -7.627 -18.552 1.00 14.31 H new ATOM 0 HD2 LYS A 24 0.132 -7.222 -20.998 1.00 13.14 H new ATOM 0 HD3 LYS A 24 1.299 -8.520 -20.846 1.00 13.14 H new ATOM 0 HE2 LYS A 24 -0.924 -9.742 -19.812 1.00 62.34 H new ATOM 0 HE3 LYS A 24 -1.675 -8.643 -20.951 1.00 62.34 H new ATOM 0 HZ1 LYS A 24 -1.170 -10.761 -21.981 1.00 51.12 H new ATOM 0 HZ2 LYS A 24 -0.250 -9.531 -22.705 1.00 51.12 H new ATOM 0 HZ3 LYS A 24 0.477 -10.597 -21.601 1.00 51.12 H new ATOM 365 N LEU A 25 3.342 -6.607 -16.361 1.00 23.24 N ATOM 366 CA LEU A 25 4.221 -7.266 -15.400 1.00 60.04 C ATOM 367 C LEU A 25 3.903 -6.821 -13.977 1.00 31.04 C ATOM 368 O LEU A 25 3.779 -7.645 -13.070 1.00 63.20 O ATOM 369 CB LEU A 25 5.684 -6.963 -15.727 1.00 3.42 C ATOM 370 CG LEU A 25 6.724 -7.832 -15.018 1.00 41.44 C ATOM 371 CD1 LEU A 25 6.924 -9.141 -15.766 1.00 1.13 C ATOM 372 CD2 LEU A 25 8.043 -7.084 -14.886 1.00 70.01 C ATOM 0 H LEU A 25 3.828 -6.047 -17.062 1.00 23.24 H new ATOM 0 HA LEU A 25 4.055 -8.341 -15.470 1.00 60.04 H new ATOM 0 HB2 LEU A 25 5.824 -7.068 -16.803 1.00 3.42 H new ATOM 0 HB3 LEU A 25 5.882 -5.920 -15.480 1.00 3.42 H new ATOM 0 HG LEU A 25 6.358 -8.061 -14.017 1.00 41.44 H new ATOM 0 HD11 LEU A 25 7.667 -9.747 -15.247 1.00 1.13 H new ATOM 0 HD12 LEU A 25 5.980 -9.684 -15.809 1.00 1.13 H new ATOM 0 HD13 LEU A 25 7.269 -8.932 -16.779 1.00 1.13 H new ATOM 0 HD21 LEU A 25 8.771 -7.717 -14.379 1.00 70.01 H new ATOM 0 HD22 LEU A 25 8.415 -6.825 -15.877 1.00 70.01 H new ATOM 0 HD23 LEU A 25 7.889 -6.174 -14.307 1.00 70.01 H new ATOM 384 N CYS A 26 3.769 -5.513 -13.787 1.00 43.40 N ATOM 385 CA CYS A 26 3.464 -4.957 -12.474 1.00 54.24 C ATOM 386 C CYS A 26 2.151 -5.521 -11.937 1.00 41.53 C ATOM 387 O CYS A 26 2.104 -6.080 -10.841 1.00 65.33 O ATOM 388 CB CYS A 26 3.383 -3.431 -12.550 1.00 1.13 C ATOM 389 SG CYS A 26 4.252 -2.573 -11.198 1.00 11.12 S ATOM 0 H CYS A 26 3.867 -4.817 -14.527 1.00 43.40 H new ATOM 0 HA CYS A 26 4.266 -5.238 -11.792 1.00 54.24 H new ATOM 0 HB2 CYS A 26 3.800 -3.103 -13.502 1.00 1.13 H new ATOM 0 HB3 CYS A 26 2.335 -3.132 -12.541 1.00 1.13 H new ATOM 394 N THR A 27 1.085 -5.369 -12.717 1.00 62.13 N ATOM 395 CA THR A 27 -0.228 -5.861 -12.321 1.00 30.41 C ATOM 396 C THR A 27 -0.164 -7.327 -11.907 1.00 62.10 C ATOM 397 O THR A 27 -0.602 -7.693 -10.817 1.00 53.01 O ATOM 398 CB THR A 27 -1.254 -5.706 -13.460 1.00 4.34 C ATOM 399 OG1 THR A 27 -0.726 -6.255 -14.672 1.00 73.33 O ATOM 400 CG2 THR A 27 -1.608 -4.242 -13.672 1.00 40.33 C ATOM 0 H THR A 27 1.106 -4.909 -13.627 1.00 62.13 H new ATOM 0 HA THR A 27 -0.547 -5.259 -11.470 1.00 30.41 H new ATOM 0 HB THR A 27 -2.159 -6.246 -13.181 1.00 4.34 H new ATOM 0 HG1 THR A 27 -0.036 -5.657 -15.029 1.00 73.33 H new ATOM 0 HG21 THR A 27 -2.334 -4.157 -14.481 1.00 40.33 H new ATOM 0 HG22 THR A 27 -2.036 -3.835 -12.756 1.00 40.33 H new ATOM 0 HG23 THR A 27 -0.708 -3.684 -13.931 1.00 40.33 H new ATOM 408 N GLU A 28 0.386 -8.161 -12.784 1.00 20.41 N ATOM 409 CA GLU A 28 0.507 -9.588 -12.508 1.00 31.12 C ATOM 410 C GLU A 28 1.251 -9.827 -11.197 1.00 60.52 C ATOM 411 O GLU A 28 0.887 -10.706 -10.416 1.00 43.34 O ATOM 412 CB GLU A 28 1.233 -10.293 -13.656 1.00 4.55 C ATOM 413 CG GLU A 28 0.351 -11.250 -14.438 1.00 55.02 C ATOM 414 CD GLU A 28 0.084 -12.542 -13.690 1.00 12.41 C ATOM 415 OE1 GLU A 28 0.650 -12.719 -12.591 1.00 34.00 O ATOM 416 OE2 GLU A 28 -0.692 -13.375 -14.204 1.00 4.01 O ATOM 0 H GLU A 28 0.754 -7.874 -13.691 1.00 20.41 H new ATOM 0 HA GLU A 28 -0.498 -10.001 -12.416 1.00 31.12 H new ATOM 0 HB2 GLU A 28 1.633 -9.542 -14.337 1.00 4.55 H new ATOM 0 HB3 GLU A 28 2.084 -10.843 -13.253 1.00 4.55 H new ATOM 0 HG2 GLU A 28 -0.597 -10.762 -14.663 1.00 55.02 H new ATOM 0 HG3 GLU A 28 0.826 -11.479 -15.392 1.00 55.02 H new ATOM 423 N ASN A 29 2.296 -9.039 -10.964 1.00 74.42 N ATOM 424 CA ASN A 29 3.092 -9.166 -9.749 1.00 44.23 C ATOM 425 C ASN A 29 2.251 -8.863 -8.513 1.00 42.41 C ATOM 426 O ASN A 29 2.543 -9.342 -7.418 1.00 54.12 O ATOM 427 CB ASN A 29 4.297 -8.224 -9.804 1.00 53.30 C ATOM 428 CG ASN A 29 5.576 -8.943 -10.185 1.00 44.42 C ATOM 429 OD1 ASN A 29 6.360 -9.338 -9.322 1.00 71.40 O ATOM 430 ND2 ASN A 29 5.794 -9.115 -11.484 1.00 11.41 N ATOM 0 H ASN A 29 2.611 -8.306 -11.600 1.00 74.42 H new ATOM 0 HA ASN A 29 3.446 -10.195 -9.682 1.00 44.23 H new ATOM 0 HB2 ASN A 29 4.101 -7.430 -10.525 1.00 53.30 H new ATOM 0 HB3 ASN A 29 4.427 -7.748 -8.832 1.00 53.30 H new ATOM 0 HD21 ASN A 29 6.639 -9.591 -11.801 1.00 11.41 H new ATOM 0 HD22 ASN A 29 5.117 -8.771 -12.165 1.00 11.41 H new ATOM 437 N GLY A 30 1.205 -8.063 -8.697 1.00 72.23 N ATOM 438 CA GLY A 30 0.337 -7.710 -7.589 1.00 71.01 C ATOM 439 C GLY A 30 0.404 -6.235 -7.247 1.00 42.23 C ATOM 440 O GLY A 30 0.007 -5.825 -6.157 1.00 44.20 O ATOM 0 H GLY A 30 0.943 -7.653 -9.594 1.00 72.23 H new ATOM 0 HA2 GLY A 30 -0.690 -7.976 -7.837 1.00 71.01 H new ATOM 0 HA3 GLY A 30 0.615 -8.296 -6.713 1.00 71.01 H new ATOM 444 N ALA A 31 0.910 -5.435 -8.181 1.00 34.23 N ATOM 445 CA ALA A 31 1.027 -3.997 -7.973 1.00 24.32 C ATOM 446 C ALA A 31 -0.164 -3.257 -8.572 1.00 4.35 C ATOM 447 O ALA A 31 -1.109 -3.875 -9.058 1.00 73.42 O ATOM 448 CB ALA A 31 2.327 -3.482 -8.572 1.00 64.03 C ATOM 0 H ALA A 31 1.245 -5.759 -9.088 1.00 34.23 H new ATOM 0 HA ALA A 31 1.035 -3.809 -6.899 1.00 24.32 H new ATOM 0 HB1 ALA A 31 2.402 -2.407 -8.410 1.00 64.03 H new ATOM 0 HB2 ALA A 31 3.170 -3.981 -8.094 1.00 64.03 H new ATOM 0 HB3 ALA A 31 2.342 -3.689 -9.642 1.00 64.03 H new ATOM 454 N GLU A 32 -0.110 -1.929 -8.531 1.00 52.11 N ATOM 455 CA GLU A 32 -1.187 -1.105 -9.069 1.00 25.12 C ATOM 456 C GLU A 32 -0.959 -0.811 -10.549 1.00 31.02 C ATOM 457 O GLU A 32 -1.685 -1.307 -11.410 1.00 72.50 O ATOM 458 CB GLU A 32 -1.294 0.206 -8.288 1.00 11.23 C ATOM 459 CG GLU A 32 -2.543 1.008 -8.613 1.00 60.03 C ATOM 460 CD GLU A 32 -2.267 2.494 -8.735 1.00 10.15 C ATOM 461 OE1 GLU A 32 -1.414 2.873 -9.565 1.00 33.31 O ATOM 462 OE2 GLU A 32 -2.903 3.278 -8.000 1.00 2.14 O ATOM 0 H GLU A 32 0.666 -1.402 -8.132 1.00 52.11 H new ATOM 0 HA GLU A 32 -2.120 -1.658 -8.966 1.00 25.12 H new ATOM 0 HB2 GLU A 32 -1.282 -0.015 -7.221 1.00 11.23 H new ATOM 0 HB3 GLU A 32 -0.416 0.817 -8.497 1.00 11.23 H new ATOM 0 HG2 GLU A 32 -2.971 0.644 -9.547 1.00 60.03 H new ATOM 0 HG3 GLU A 32 -3.289 0.843 -7.835 1.00 60.03 H new ATOM 469 N SER A 33 0.054 0.000 -10.836 1.00 52.31 N ATOM 470 CA SER A 33 0.375 0.365 -12.211 1.00 30.20 C ATOM 471 C SER A 33 1.885 0.380 -12.430 1.00 53.14 C ATOM 472 O SER A 33 2.657 0.049 -11.532 1.00 43.10 O ATOM 473 CB SER A 33 -0.215 1.736 -12.549 1.00 23.54 C ATOM 474 OG SER A 33 -1.631 1.701 -12.525 1.00 52.13 O ATOM 0 H SER A 33 0.667 0.417 -10.135 1.00 52.31 H new ATOM 0 HA SER A 33 -0.063 -0.383 -12.871 1.00 30.20 H new ATOM 0 HB2 SER A 33 0.146 2.477 -11.835 1.00 23.54 H new ATOM 0 HB3 SER A 33 0.128 2.050 -13.535 1.00 23.54 H new ATOM 0 HG SER A 33 -1.952 2.045 -11.665 1.00 52.13 H new ATOM 480 N GLY A 34 2.298 0.767 -13.634 1.00 11.35 N ATOM 481 CA GLY A 34 3.713 0.819 -13.951 1.00 20.31 C ATOM 482 C GLY A 34 3.968 1.099 -15.419 1.00 23.15 C ATOM 483 O GLY A 34 3.237 0.620 -16.285 1.00 72.15 O ATOM 0 H GLY A 34 1.678 1.045 -14.395 1.00 11.35 H new ATOM 0 HA2 GLY A 34 4.189 1.593 -13.349 1.00 20.31 H new ATOM 0 HA3 GLY A 34 4.178 -0.128 -13.679 1.00 20.31 H new ATOM 487 N TYR A 35 5.007 1.878 -15.698 1.00 62.34 N ATOM 488 CA TYR A 35 5.355 2.225 -17.071 1.00 75.44 C ATOM 489 C TYR A 35 6.856 2.085 -17.305 1.00 54.24 C ATOM 490 O TYR A 35 7.599 1.669 -16.416 1.00 51.01 O ATOM 491 CB TYR A 35 4.908 3.653 -17.387 1.00 43.12 C ATOM 492 CG TYR A 35 5.197 4.637 -16.276 1.00 45.44 C ATOM 493 CD1 TYR A 35 6.500 4.873 -15.852 1.00 54.12 C ATOM 494 CD2 TYR A 35 4.169 5.331 -15.650 1.00 61.34 C ATOM 495 CE1 TYR A 35 6.769 5.771 -14.837 1.00 73.22 C ATOM 496 CE2 TYR A 35 4.429 6.231 -14.636 1.00 0.43 C ATOM 497 CZ TYR A 35 5.730 6.448 -14.233 1.00 22.24 C ATOM 498 OH TYR A 35 5.993 7.343 -13.221 1.00 41.12 O ATOM 0 H TYR A 35 5.623 2.281 -14.992 1.00 62.34 H new ATOM 0 HA TYR A 35 4.837 1.534 -17.736 1.00 75.44 H new ATOM 0 HB2 TYR A 35 5.406 3.988 -18.297 1.00 43.12 H new ATOM 0 HB3 TYR A 35 3.837 3.653 -17.592 1.00 43.12 H new ATOM 0 HD1 TYR A 35 7.316 4.345 -16.324 1.00 54.12 H new ATOM 0 HD2 TYR A 35 3.149 5.163 -15.962 1.00 61.34 H new ATOM 0 HE1 TYR A 35 7.787 5.942 -14.518 1.00 73.22 H new ATOM 0 HE2 TYR A 35 3.618 6.762 -14.161 1.00 0.43 H new ATOM 0 HH TYR A 35 6.357 6.864 -12.447 1.00 41.12 H new ATOM 508 N CYS A 36 7.295 2.437 -18.509 1.00 3.10 N ATOM 509 CA CYS A 36 8.707 2.353 -18.863 1.00 30.51 C ATOM 510 C CYS A 36 9.383 3.715 -18.734 1.00 33.35 C ATOM 511 O CYS A 36 9.170 4.604 -19.557 1.00 12.11 O ATOM 512 CB CYS A 36 8.866 1.826 -20.290 1.00 72.34 C ATOM 513 SG CYS A 36 10.542 1.230 -20.681 1.00 24.11 S ATOM 0 H CYS A 36 6.693 2.783 -19.256 1.00 3.10 H new ATOM 0 HA CYS A 36 9.188 1.661 -18.171 1.00 30.51 H new ATOM 0 HB2 CYS A 36 8.157 1.013 -20.446 1.00 72.34 H new ATOM 0 HB3 CYS A 36 8.601 2.619 -20.990 1.00 72.34 H new ATOM 518 N GLN A 37 10.197 3.869 -17.695 1.00 24.43 N ATOM 519 CA GLN A 37 10.904 5.122 -17.458 1.00 33.03 C ATOM 520 C GLN A 37 12.185 5.189 -18.282 1.00 24.25 C ATOM 521 O GLN A 37 13.277 4.944 -17.769 1.00 5.11 O ATOM 522 CB GLN A 37 11.230 5.274 -15.971 1.00 44.51 C ATOM 523 CG GLN A 37 10.280 6.203 -15.232 1.00 25.35 C ATOM 524 CD GLN A 37 10.814 7.618 -15.123 1.00 73.30 C ATOM 525 OE1 GLN A 37 12.025 7.836 -15.095 1.00 42.40 O ATOM 526 NE2 GLN A 37 9.910 8.588 -15.061 1.00 54.35 N ATOM 0 H GLN A 37 10.383 3.142 -17.004 1.00 24.43 H new ATOM 0 HA GLN A 37 10.254 5.941 -17.766 1.00 33.03 H new ATOM 0 HB2 GLN A 37 11.204 4.292 -15.500 1.00 44.51 H new ATOM 0 HB3 GLN A 37 12.248 5.651 -15.867 1.00 44.51 H new ATOM 0 HG2 GLN A 37 9.320 6.220 -15.748 1.00 25.35 H new ATOM 0 HG3 GLN A 37 10.098 5.809 -14.232 1.00 25.35 H new ATOM 0 HE21 GLN A 37 8.916 8.361 -15.088 1.00 54.35 H new ATOM 0 HE22 GLN A 37 10.209 9.560 -14.987 1.00 54.35 H new ATOM 535 N TRP A 38 12.044 5.521 -19.560 1.00 23.15 N ATOM 536 CA TRP A 38 13.192 5.619 -20.455 1.00 13.44 C ATOM 537 C TRP A 38 14.089 6.788 -20.062 1.00 64.34 C ATOM 538 O TRP A 38 15.227 6.889 -20.519 1.00 24.22 O ATOM 539 CB TRP A 38 12.723 5.783 -21.901 1.00 43.34 C ATOM 540 CG TRP A 38 12.824 4.522 -22.705 1.00 34.02 C ATOM 541 CD1 TRP A 38 12.815 3.243 -22.227 1.00 32.25 C ATOM 542 CD2 TRP A 38 12.950 4.420 -24.127 1.00 71.23 C ATOM 543 NE1 TRP A 38 12.928 2.351 -23.266 1.00 50.51 N ATOM 544 CE2 TRP A 38 13.012 3.048 -24.443 1.00 15.25 C ATOM 545 CE3 TRP A 38 13.015 5.353 -25.165 1.00 72.14 C ATOM 546 CZ2 TRP A 38 13.136 2.591 -25.752 1.00 21.55 C ATOM 547 CZ3 TRP A 38 13.139 4.897 -26.464 1.00 53.00 C ATOM 548 CH2 TRP A 38 13.198 3.526 -26.748 1.00 55.22 C ATOM 0 H TRP A 38 11.147 5.727 -20.000 1.00 23.15 H new ATOM 0 HA TRP A 38 13.769 4.698 -20.370 1.00 13.44 H new ATOM 0 HB2 TRP A 38 11.688 6.125 -21.903 1.00 43.34 H new ATOM 0 HB3 TRP A 38 13.316 6.561 -22.382 1.00 43.34 H new ATOM 0 HD1 TRP A 38 12.731 2.972 -21.185 1.00 32.25 H new ATOM 0 HE1 TRP A 38 12.946 1.335 -23.176 1.00 50.51 H new ATOM 0 HE3 TRP A 38 12.969 6.412 -24.956 1.00 72.14 H new ATOM 0 HZ2 TRP A 38 13.182 1.535 -25.973 1.00 21.55 H new ATOM 0 HZ3 TRP A 38 13.191 5.610 -27.274 1.00 53.00 H new ATOM 0 HH2 TRP A 38 13.294 3.201 -27.774 1.00 55.22 H new ATOM 559 N GLY A 39 13.570 7.669 -19.213 1.00 32.11 N ATOM 560 CA GLY A 39 14.339 8.819 -18.774 1.00 31.40 C ATOM 561 C GLY A 39 14.345 8.971 -17.266 1.00 34.22 C ATOM 562 O GLY A 39 13.524 9.696 -16.705 1.00 22.11 O ATOM 0 H GLY A 39 12.630 7.607 -18.821 1.00 32.11 H new ATOM 0 HA2 GLY A 39 15.365 8.724 -19.131 1.00 31.40 H new ATOM 0 HA3 GLY A 39 13.927 9.722 -19.225 1.00 31.40 H new ATOM 566 N GLY A 40 15.272 8.283 -16.606 1.00 43.25 N ATOM 567 CA GLY A 40 15.363 8.358 -15.160 1.00 35.50 C ATOM 568 C GLY A 40 16.796 8.378 -14.669 1.00 24.01 C ATOM 569 O GLY A 40 17.734 8.385 -15.467 1.00 22.24 O ATOM 0 H GLY A 40 15.962 7.675 -17.048 1.00 43.25 H new ATOM 0 HA2 GLY A 40 14.851 9.256 -14.813 1.00 35.50 H new ATOM 0 HA3 GLY A 40 14.844 7.505 -14.722 1.00 35.50 H new ATOM 573 N LYS A 41 16.969 8.390 -13.351 1.00 72.55 N ATOM 574 CA LYS A 41 18.298 8.410 -12.753 1.00 64.14 C ATOM 575 C LYS A 41 19.131 7.227 -13.237 1.00 71.13 C ATOM 576 O LYS A 41 20.332 7.356 -13.475 1.00 1.54 O ATOM 577 CB LYS A 41 18.194 8.383 -11.227 1.00 10.31 C ATOM 578 CG LYS A 41 19.119 9.370 -10.537 1.00 2.44 C ATOM 579 CD LYS A 41 20.578 9.071 -10.837 1.00 42.45 C ATOM 580 CE LYS A 41 21.498 10.124 -10.238 1.00 21.23 C ATOM 581 NZ LYS A 41 22.487 10.628 -11.231 1.00 75.41 N ATOM 0 H LYS A 41 16.204 8.386 -12.677 1.00 72.55 H new ATOM 0 HA LYS A 41 18.793 9.331 -13.061 1.00 64.14 H new ATOM 0 HB2 LYS A 41 17.165 8.598 -10.937 1.00 10.31 H new ATOM 0 HB3 LYS A 41 18.421 7.377 -10.873 1.00 10.31 H new ATOM 0 HG2 LYS A 41 18.880 10.382 -10.862 1.00 2.44 H new ATOM 0 HG3 LYS A 41 18.953 9.334 -9.460 1.00 2.44 H new ATOM 0 HD2 LYS A 41 20.839 8.090 -10.439 1.00 42.45 H new ATOM 0 HD3 LYS A 41 20.727 9.027 -11.916 1.00 42.45 H new ATOM 0 HE2 LYS A 41 20.902 10.957 -9.865 1.00 21.23 H new ATOM 0 HE3 LYS A 41 22.025 9.701 -9.383 1.00 21.23 H new ATOM 0 HZ1 LYS A 41 23.095 11.343 -10.783 1.00 75.41 H new ATOM 0 HZ2 LYS A 41 23.073 9.838 -11.569 1.00 75.41 H new ATOM 0 HZ3 LYS A 41 21.985 11.055 -12.035 1.00 75.41 H new ATOM 595 N TYR A 42 18.485 6.075 -13.383 1.00 1.32 N ATOM 596 CA TYR A 42 19.166 4.869 -13.838 1.00 5.13 C ATOM 597 C TYR A 42 19.007 4.689 -15.344 1.00 64.13 C ATOM 598 O TYR A 42 19.075 3.573 -15.858 1.00 44.33 O ATOM 599 CB TYR A 42 18.620 3.642 -13.106 1.00 12.44 C ATOM 600 CG TYR A 42 18.980 3.603 -11.638 1.00 25.32 C ATOM 601 CD1 TYR A 42 20.207 3.104 -11.217 1.00 44.31 C ATOM 602 CD2 TYR A 42 18.094 4.063 -10.672 1.00 23.44 C ATOM 603 CE1 TYR A 42 20.541 3.065 -9.877 1.00 42.31 C ATOM 604 CE2 TYR A 42 18.420 4.029 -9.330 1.00 22.24 C ATOM 605 CZ TYR A 42 19.644 3.529 -8.937 1.00 45.23 C ATOM 606 OH TYR A 42 19.972 3.493 -7.601 1.00 62.43 O ATOM 0 H TYR A 42 17.491 5.951 -13.193 1.00 1.32 H new ATOM 0 HA TYR A 42 20.227 4.975 -13.613 1.00 5.13 H new ATOM 0 HB2 TYR A 42 17.535 3.623 -13.206 1.00 12.44 H new ATOM 0 HB3 TYR A 42 19.001 2.742 -13.589 1.00 12.44 H new ATOM 0 HD1 TYR A 42 20.912 2.740 -11.950 1.00 44.31 H new ATOM 0 HD2 TYR A 42 17.134 4.454 -10.975 1.00 23.44 H new ATOM 0 HE1 TYR A 42 21.499 2.674 -9.567 1.00 42.31 H new ATOM 0 HE2 TYR A 42 17.720 4.392 -8.592 1.00 22.24 H new ATOM 0 HH TYR A 42 19.232 3.858 -7.072 1.00 62.43 H new ATOM 616 N GLY A 43 18.795 5.798 -16.047 1.00 65.54 N ATOM 617 CA GLY A 43 18.630 5.742 -17.488 1.00 44.01 C ATOM 618 C GLY A 43 17.244 5.283 -17.896 1.00 3.34 C ATOM 619 O GLY A 43 16.244 5.871 -17.488 1.00 12.44 O ATOM 0 H GLY A 43 18.735 6.733 -15.645 1.00 65.54 H new ATOM 0 HA2 GLY A 43 18.822 6.728 -17.911 1.00 44.01 H new ATOM 0 HA3 GLY A 43 19.372 5.064 -17.909 1.00 44.01 H new ATOM 623 N ASN A 44 17.185 4.230 -18.704 1.00 42.35 N ATOM 624 CA ASN A 44 15.911 3.694 -19.170 1.00 0.45 C ATOM 625 C ASN A 44 15.545 2.424 -18.408 1.00 53.10 C ATOM 626 O ASN A 44 15.951 1.325 -18.783 1.00 23.35 O ATOM 627 CB ASN A 44 15.974 3.403 -20.670 1.00 70.41 C ATOM 628 CG ASN A 44 17.219 2.628 -21.057 1.00 21.02 C ATOM 629 OD1 ASN A 44 18.336 3.134 -20.951 1.00 43.23 O ATOM 630 ND2 ASN A 44 17.031 1.393 -21.508 1.00 2.13 N ATOM 0 H ASN A 44 18.004 3.731 -19.050 1.00 42.35 H new ATOM 0 HA ASN A 44 15.140 4.442 -18.985 1.00 0.45 H new ATOM 0 HB2 ASN A 44 15.091 2.837 -20.965 1.00 70.41 H new ATOM 0 HB3 ASN A 44 15.949 4.343 -21.221 1.00 70.41 H new ATOM 0 HD21 ASN A 44 17.831 0.823 -21.783 1.00 2.13 H new ATOM 0 HD22 ASN A 44 16.087 1.014 -21.579 1.00 2.13 H new ATOM 637 N ALA A 45 14.774 2.584 -17.338 1.00 15.15 N ATOM 638 CA ALA A 45 14.350 1.451 -16.525 1.00 20.32 C ATOM 639 C ALA A 45 12.834 1.428 -16.361 1.00 41.43 C ATOM 640 O ALA A 45 12.174 2.463 -16.457 1.00 53.32 O ATOM 641 CB ALA A 45 15.029 1.494 -15.164 1.00 0.01 C ATOM 0 H ALA A 45 14.430 3.488 -17.014 1.00 15.15 H new ATOM 0 HA ALA A 45 14.647 0.537 -17.039 1.00 20.32 H new ATOM 0 HB1 ALA A 45 14.703 0.642 -14.568 1.00 0.01 H new ATOM 0 HB2 ALA A 45 16.110 1.452 -15.295 1.00 0.01 H new ATOM 0 HB3 ALA A 45 14.761 2.419 -14.653 1.00 0.01 H new ATOM 647 N CYS A 46 12.288 0.243 -16.115 1.00 34.53 N ATOM 648 CA CYS A 46 10.849 0.085 -15.939 1.00 20.41 C ATOM 649 C CYS A 46 10.416 0.548 -14.551 1.00 25.22 C ATOM 650 O CYS A 46 10.835 -0.015 -13.539 1.00 42.12 O ATOM 651 CB CYS A 46 10.446 -1.376 -16.150 1.00 33.12 C ATOM 652 SG CYS A 46 9.073 -1.606 -17.325 1.00 31.20 S ATOM 0 H CYS A 46 12.820 -0.623 -16.033 1.00 34.53 H new ATOM 0 HA CYS A 46 10.347 0.705 -16.682 1.00 20.41 H new ATOM 0 HB2 CYS A 46 11.312 -1.933 -16.507 1.00 33.12 H new ATOM 0 HB3 CYS A 46 10.164 -1.806 -15.189 1.00 33.12 H new ATOM 657 N TRP A 47 9.577 1.576 -14.512 1.00 34.23 N ATOM 658 CA TRP A 47 9.087 2.115 -13.248 1.00 31.31 C ATOM 659 C TRP A 47 7.702 1.567 -12.923 1.00 32.34 C ATOM 660 O TRP A 47 6.915 1.268 -13.821 1.00 54.33 O ATOM 661 CB TRP A 47 9.044 3.643 -13.304 1.00 22.42 C ATOM 662 CG TRP A 47 8.359 4.261 -12.123 1.00 3.30 C ATOM 663 CD1 TRP A 47 7.015 4.431 -11.951 1.00 60.13 C ATOM 664 CD2 TRP A 47 8.986 4.794 -10.951 1.00 13.00 C ATOM 665 NE1 TRP A 47 6.768 5.037 -10.743 1.00 42.01 N ATOM 666 CE2 TRP A 47 7.960 5.269 -10.110 1.00 44.30 C ATOM 667 CE3 TRP A 47 10.313 4.914 -10.529 1.00 75.11 C ATOM 668 CZ2 TRP A 47 8.223 5.855 -8.875 1.00 1.14 C ATOM 669 CZ3 TRP A 47 10.572 5.496 -9.303 1.00 35.12 C ATOM 670 CH2 TRP A 47 9.531 5.960 -8.487 1.00 22.23 C ATOM 0 H TRP A 47 9.222 2.053 -15.340 1.00 34.23 H new ATOM 0 HA TRP A 47 9.774 1.806 -12.460 1.00 31.31 H new ATOM 0 HB2 TRP A 47 10.063 4.026 -13.366 1.00 22.42 H new ATOM 0 HB3 TRP A 47 8.531 3.952 -14.215 1.00 22.42 H new ATOM 0 HD1 TRP A 47 6.257 4.133 -12.661 1.00 60.13 H new ATOM 0 HE1 TRP A 47 5.846 5.275 -10.377 1.00 42.01 H new ATOM 0 HE3 TRP A 47 11.122 4.558 -11.150 1.00 75.11 H new ATOM 0 HZ2 TRP A 47 7.423 6.214 -8.245 1.00 1.14 H new ATOM 0 HZ3 TRP A 47 11.594 5.595 -8.968 1.00 35.12 H new ATOM 0 HH2 TRP A 47 9.766 6.409 -7.533 1.00 22.23 H new ATOM 681 N CYS A 48 7.410 1.437 -11.633 1.00 34.51 N ATOM 682 CA CYS A 48 6.119 0.924 -11.189 1.00 1.03 C ATOM 683 C CYS A 48 5.493 1.853 -10.152 1.00 75.44 C ATOM 684 O CYS A 48 6.197 2.556 -9.428 1.00 22.45 O ATOM 685 CB CYS A 48 6.279 -0.480 -10.601 1.00 50.44 C ATOM 686 SG CYS A 48 5.947 -1.823 -11.786 1.00 32.43 S ATOM 0 H CYS A 48 8.050 1.680 -10.877 1.00 34.51 H new ATOM 0 HA CYS A 48 5.458 0.875 -12.054 1.00 1.03 H new ATOM 0 HB2 CYS A 48 7.294 -0.589 -10.219 1.00 50.44 H new ATOM 0 HB3 CYS A 48 5.606 -0.585 -9.750 1.00 50.44 H new ATOM 691 N ILE A 49 4.165 1.849 -10.089 1.00 4.13 N ATOM 692 CA ILE A 49 3.444 2.689 -9.141 1.00 3.51 C ATOM 693 C ILE A 49 2.624 1.846 -8.171 1.00 70.53 C ATOM 694 O ILE A 49 1.846 0.986 -8.584 1.00 75.41 O ATOM 695 CB ILE A 49 2.509 3.677 -9.863 1.00 14.14 C ATOM 696 CG1 ILE A 49 3.292 4.498 -10.889 1.00 52.20 C ATOM 697 CG2 ILE A 49 1.825 4.590 -8.856 1.00 53.43 C ATOM 698 CD1 ILE A 49 2.410 5.290 -11.829 1.00 62.23 C ATOM 0 H ILE A 49 3.568 1.274 -10.683 1.00 4.13 H new ATOM 0 HA ILE A 49 4.194 3.251 -8.584 1.00 3.51 H new ATOM 0 HB ILE A 49 1.742 3.110 -10.390 1.00 14.14 H new ATOM 0 HG12 ILE A 49 3.956 5.184 -10.363 1.00 52.20 H new ATOM 0 HG13 ILE A 49 3.923 3.828 -11.473 1.00 52.20 H new ATOM 0 HG21 ILE A 49 1.167 5.283 -9.381 1.00 53.43 H new ATOM 0 HG22 ILE A 49 1.239 3.990 -8.160 1.00 53.43 H new ATOM 0 HG23 ILE A 49 2.578 5.152 -8.304 1.00 53.43 H new ATOM 0 HD11 ILE A 49 3.032 5.848 -12.529 1.00 62.23 H new ATOM 0 HD12 ILE A 49 1.763 4.609 -12.382 1.00 62.23 H new ATOM 0 HD13 ILE A 49 1.798 5.985 -11.254 1.00 62.23 H new ATOM 710 N LYS A 50 2.802 2.098 -6.879 1.00 22.00 N ATOM 711 CA LYS A 50 2.077 1.365 -5.849 1.00 32.55 C ATOM 712 C LYS A 50 2.461 -0.112 -5.859 1.00 10.40 C ATOM 713 O LYS A 50 1.781 -0.936 -6.472 1.00 22.24 O ATOM 714 CB LYS A 50 0.568 1.511 -6.056 1.00 13.22 C ATOM 715 CG LYS A 50 -0.092 2.460 -5.070 1.00 52.24 C ATOM 716 CD LYS A 50 -1.583 2.191 -4.950 1.00 41.53 C ATOM 717 CE LYS A 50 -2.172 2.857 -3.716 1.00 43.51 C ATOM 718 NZ LYS A 50 -2.831 1.872 -2.815 1.00 62.12 N ATOM 0 H LYS A 50 3.443 2.805 -6.520 1.00 22.00 H new ATOM 0 HA LYS A 50 2.347 1.786 -4.881 1.00 32.55 H new ATOM 0 HB2 LYS A 50 0.381 1.866 -7.070 1.00 13.22 H new ATOM 0 HB3 LYS A 50 0.101 0.530 -5.971 1.00 13.22 H new ATOM 0 HG2 LYS A 50 0.378 2.354 -4.092 1.00 52.24 H new ATOM 0 HG3 LYS A 50 0.068 3.489 -5.391 1.00 52.24 H new ATOM 0 HD2 LYS A 50 -2.093 2.558 -5.841 1.00 41.53 H new ATOM 0 HD3 LYS A 50 -1.757 1.116 -4.903 1.00 41.53 H new ATOM 0 HE2 LYS A 50 -1.383 3.376 -3.172 1.00 43.51 H new ATOM 0 HE3 LYS A 50 -2.897 3.611 -4.022 1.00 43.51 H new ATOM 0 HZ1 LYS A 50 -3.734 2.261 -2.477 1.00 62.12 H new ATOM 0 HZ2 LYS A 50 -3.008 0.989 -3.336 1.00 62.12 H new ATOM 0 HZ3 LYS A 50 -2.212 1.677 -2.002 1.00 62.12 H new ATOM 732 N LEU A 51 3.553 -0.439 -5.177 1.00 13.14 N ATOM 733 CA LEU A 51 4.026 -1.817 -5.106 1.00 5.20 C ATOM 734 C LEU A 51 3.999 -2.329 -3.669 1.00 61.15 C ATOM 735 O LEU A 51 4.270 -1.596 -2.718 1.00 22.51 O ATOM 736 CB LEU A 51 5.445 -1.919 -5.669 1.00 2.42 C ATOM 737 CG LEU A 51 5.647 -2.925 -6.802 1.00 61.20 C ATOM 738 CD1 LEU A 51 6.345 -2.267 -7.982 1.00 73.34 C ATOM 739 CD2 LEU A 51 6.442 -4.127 -6.313 1.00 11.04 C ATOM 0 H LEU A 51 4.127 0.231 -4.665 1.00 13.14 H new ATOM 0 HA LEU A 51 3.358 -2.436 -5.705 1.00 5.20 H new ATOM 0 HB2 LEU A 51 5.744 -0.934 -6.027 1.00 2.42 H new ATOM 0 HB3 LEU A 51 6.120 -2.180 -4.854 1.00 2.42 H new ATOM 0 HG LEU A 51 4.668 -3.272 -7.132 1.00 61.20 H new ATOM 0 HD11 LEU A 51 6.480 -2.998 -8.779 1.00 73.34 H new ATOM 0 HD12 LEU A 51 5.738 -1.439 -8.348 1.00 73.34 H new ATOM 0 HD13 LEU A 51 7.318 -1.891 -7.666 1.00 73.34 H new ATOM 0 HD21 LEU A 51 6.576 -4.833 -7.133 1.00 11.04 H new ATOM 0 HD22 LEU A 51 7.417 -3.797 -5.955 1.00 11.04 H new ATOM 0 HD23 LEU A 51 5.903 -4.614 -5.500 1.00 11.04 H new ATOM 751 N PRO A 52 3.666 -3.618 -3.507 1.00 21.21 N ATOM 752 CA PRO A 52 3.598 -4.258 -2.190 1.00 23.21 C ATOM 753 C PRO A 52 4.975 -4.433 -1.559 1.00 3.24 C ATOM 754 O PRO A 52 5.973 -4.600 -2.260 1.00 23.23 O ATOM 755 CB PRO A 52 2.971 -5.622 -2.490 1.00 51.21 C ATOM 756 CG PRO A 52 3.313 -5.891 -3.915 1.00 13.40 C ATOM 757 CD PRO A 52 3.331 -4.550 -4.596 1.00 73.34 C ATOM 0 HA PRO A 52 3.031 -3.661 -1.476 1.00 23.21 H new ATOM 0 HB2 PRO A 52 3.372 -6.395 -1.834 1.00 51.21 H new ATOM 0 HB3 PRO A 52 1.892 -5.604 -2.339 1.00 51.21 H new ATOM 0 HG2 PRO A 52 4.282 -6.384 -3.998 1.00 13.40 H new ATOM 0 HG3 PRO A 52 2.579 -6.552 -4.375 1.00 13.40 H new ATOM 0 HD2 PRO A 52 4.071 -4.516 -5.396 1.00 73.34 H new ATOM 0 HD3 PRO A 52 2.366 -4.314 -5.044 1.00 73.34 H new ATOM 765 N ASP A 53 5.022 -4.393 -0.232 1.00 32.14 N ATOM 766 CA ASP A 53 6.277 -4.549 0.494 1.00 10.44 C ATOM 767 C ASP A 53 6.968 -5.854 0.112 1.00 12.12 C ATOM 768 O ASP A 53 8.177 -5.885 -0.113 1.00 45.34 O ATOM 769 CB ASP A 53 6.026 -4.513 2.003 1.00 42.42 C ATOM 770 CG ASP A 53 7.223 -3.994 2.776 1.00 35.24 C ATOM 771 OD1 ASP A 53 8.202 -4.753 2.934 1.00 70.22 O ATOM 772 OD2 ASP A 53 7.180 -2.829 3.224 1.00 72.33 O ATOM 0 H ASP A 53 4.205 -4.254 0.363 1.00 32.14 H new ATOM 0 HA ASP A 53 6.930 -3.720 0.222 1.00 10.44 H new ATOM 0 HB2 ASP A 53 5.162 -3.882 2.210 1.00 42.42 H new ATOM 0 HB3 ASP A 53 5.779 -5.516 2.351 1.00 42.42 H new ATOM 777 N SER A 54 6.191 -6.930 0.042 1.00 20.33 N ATOM 778 CA SER A 54 6.729 -8.240 -0.308 1.00 11.33 C ATOM 779 C SER A 54 7.581 -8.157 -1.570 1.00 45.12 C ATOM 780 O SER A 54 8.513 -8.940 -1.757 1.00 11.02 O ATOM 781 CB SER A 54 5.592 -9.244 -0.511 1.00 44.40 C ATOM 782 OG SER A 54 5.674 -10.303 0.427 1.00 52.22 O ATOM 0 H SER A 54 5.187 -6.921 0.223 1.00 20.33 H new ATOM 0 HA SER A 54 7.360 -8.578 0.514 1.00 11.33 H new ATOM 0 HB2 SER A 54 4.632 -8.737 -0.409 1.00 44.40 H new ATOM 0 HB3 SER A 54 5.634 -9.646 -1.523 1.00 44.40 H new ATOM 0 HG SER A 54 4.936 -10.930 0.278 1.00 52.22 H new ATOM 788 N VAL A 55 7.255 -7.202 -2.435 1.00 45.33 N ATOM 789 CA VAL A 55 7.991 -7.014 -3.680 1.00 72.43 C ATOM 790 C VAL A 55 8.737 -5.685 -3.683 1.00 53.23 C ATOM 791 O VAL A 55 8.226 -4.659 -4.134 1.00 31.12 O ATOM 792 CB VAL A 55 7.052 -7.066 -4.900 1.00 72.51 C ATOM 793 CG1 VAL A 55 7.848 -6.968 -6.192 1.00 45.41 C ATOM 794 CG2 VAL A 55 6.217 -8.338 -4.875 1.00 54.31 C ATOM 0 H VAL A 55 6.486 -6.546 -2.297 1.00 45.33 H new ATOM 0 HA VAL A 55 8.710 -7.830 -3.749 1.00 72.43 H new ATOM 0 HB VAL A 55 6.376 -6.212 -4.852 1.00 72.51 H new ATOM 0 HG11 VAL A 55 7.167 -7.007 -7.043 1.00 45.41 H new ATOM 0 HG12 VAL A 55 8.398 -6.027 -6.210 1.00 45.41 H new ATOM 0 HG13 VAL A 55 8.550 -7.800 -6.251 1.00 45.41 H new ATOM 0 HG21 VAL A 55 5.559 -8.359 -5.744 1.00 54.31 H new ATOM 0 HG22 VAL A 55 6.876 -9.206 -4.898 1.00 54.31 H new ATOM 0 HG23 VAL A 55 5.617 -8.362 -3.965 1.00 54.31 H new ATOM 804 N PRO A 56 9.975 -5.700 -3.169 1.00 64.10 N ATOM 805 CA PRO A 56 10.819 -4.503 -3.102 1.00 24.43 C ATOM 806 C PRO A 56 11.291 -4.048 -4.479 1.00 31.44 C ATOM 807 O PRO A 56 10.931 -4.642 -5.496 1.00 13.14 O ATOM 808 CB PRO A 56 12.009 -4.956 -2.252 1.00 2.14 C ATOM 809 CG PRO A 56 12.070 -6.432 -2.441 1.00 65.31 C ATOM 810 CD PRO A 56 10.648 -6.887 -2.614 1.00 54.02 C ATOM 0 HA PRO A 56 10.283 -3.649 -2.689 1.00 24.43 H new ATOM 0 HB2 PRO A 56 12.933 -4.477 -2.577 1.00 2.14 H new ATOM 0 HB3 PRO A 56 11.867 -4.697 -1.203 1.00 2.14 H new ATOM 0 HG2 PRO A 56 12.671 -6.689 -3.313 1.00 65.31 H new ATOM 0 HG3 PRO A 56 12.533 -6.917 -1.581 1.00 65.31 H new ATOM 0 HD2 PRO A 56 10.578 -7.740 -3.288 1.00 54.02 H new ATOM 0 HD3 PRO A 56 10.206 -7.193 -1.666 1.00 54.02 H new ATOM 818 N ILE A 57 12.098 -2.993 -4.504 1.00 30.24 N ATOM 819 CA ILE A 57 12.620 -2.461 -5.756 1.00 54.51 C ATOM 820 C ILE A 57 14.136 -2.604 -5.825 1.00 61.34 C ATOM 821 O ILE A 57 14.760 -3.150 -4.915 1.00 43.33 O ATOM 822 CB ILE A 57 12.247 -0.977 -5.935 1.00 41.15 C ATOM 823 CG1 ILE A 57 12.410 -0.224 -4.613 1.00 74.32 C ATOM 824 CG2 ILE A 57 10.822 -0.847 -6.453 1.00 64.43 C ATOM 825 CD1 ILE A 57 13.853 -0.010 -4.213 1.00 74.13 C ATOM 0 H ILE A 57 12.404 -2.490 -3.671 1.00 30.24 H new ATOM 0 HA ILE A 57 12.166 -3.042 -6.559 1.00 54.51 H new ATOM 0 HB ILE A 57 12.921 -0.535 -6.669 1.00 41.15 H new ATOM 0 HG12 ILE A 57 11.916 0.744 -4.693 1.00 74.32 H new ATOM 0 HG13 ILE A 57 11.901 -0.777 -3.824 1.00 74.32 H new ATOM 0 HG21 ILE A 57 10.574 0.207 -6.574 1.00 64.43 H new ATOM 0 HG22 ILE A 57 10.737 -1.353 -7.415 1.00 64.43 H new ATOM 0 HG23 ILE A 57 10.133 -1.303 -5.742 1.00 64.43 H new ATOM 0 HD11 ILE A 57 13.892 0.530 -3.267 1.00 74.13 H new ATOM 0 HD12 ILE A 57 14.346 -0.975 -4.101 1.00 74.13 H new ATOM 0 HD13 ILE A 57 14.362 0.570 -4.983 1.00 74.13 H new ATOM 837 N ARG A 58 14.723 -2.110 -6.911 1.00 12.35 N ATOM 838 CA ARG A 58 16.167 -2.182 -7.099 1.00 33.44 C ATOM 839 C ARG A 58 16.895 -1.357 -6.042 1.00 31.14 C ATOM 840 O ARG A 58 16.614 -0.172 -5.862 1.00 21.00 O ATOM 841 CB ARG A 58 16.546 -1.689 -8.496 1.00 71.43 C ATOM 842 CG ARG A 58 17.577 -2.563 -9.191 1.00 62.13 C ATOM 843 CD ARG A 58 18.992 -2.196 -8.771 1.00 70.43 C ATOM 844 NE ARG A 58 19.998 -2.876 -9.584 1.00 34.04 N ATOM 845 CZ ARG A 58 21.290 -2.907 -9.279 1.00 20.45 C ATOM 846 NH1 ARG A 58 21.731 -2.301 -8.185 1.00 64.21 N ATOM 847 NH2 ARG A 58 22.144 -3.547 -10.068 1.00 11.33 N ATOM 0 H ARG A 58 14.221 -1.656 -7.674 1.00 12.35 H new ATOM 0 HA ARG A 58 16.470 -3.224 -6.994 1.00 33.44 H new ATOM 0 HB2 ARG A 58 15.648 -1.642 -9.112 1.00 71.43 H new ATOM 0 HB3 ARG A 58 16.934 -0.673 -8.421 1.00 71.43 H new ATOM 0 HG2 ARG A 58 17.386 -3.610 -8.955 1.00 62.13 H new ATOM 0 HG3 ARG A 58 17.478 -2.456 -10.271 1.00 62.13 H new ATOM 0 HD2 ARG A 58 19.127 -1.118 -8.855 1.00 70.43 H new ATOM 0 HD3 ARG A 58 19.138 -2.455 -7.722 1.00 70.43 H new ATOM 0 HE ARG A 58 19.691 -3.353 -10.432 1.00 34.04 H new ATOM 0 HH11 ARG A 58 21.077 -1.810 -7.575 1.00 64.21 H new ATOM 0 HH12 ARG A 58 22.724 -2.326 -7.953 1.00 64.21 H new ATOM 0 HH21 ARG A 58 21.808 -4.016 -10.909 1.00 11.33 H new ATOM 0 HH22 ARG A 58 23.136 -3.570 -9.833 1.00 11.33 H new ATOM 861 N VAL A 59 17.831 -1.992 -5.344 1.00 24.21 N ATOM 862 CA VAL A 59 18.600 -1.317 -4.305 1.00 64.32 C ATOM 863 C VAL A 59 19.984 -0.927 -4.812 1.00 22.01 C ATOM 864 O VAL A 59 20.509 -1.503 -5.766 1.00 14.34 O ATOM 865 CB VAL A 59 18.755 -2.204 -3.055 1.00 74.24 C ATOM 866 CG1 VAL A 59 17.448 -2.264 -2.279 1.00 23.35 C ATOM 867 CG2 VAL A 59 19.216 -3.600 -3.447 1.00 5.23 C ATOM 0 H VAL A 59 18.075 -2.973 -5.479 1.00 24.21 H new ATOM 0 HA VAL A 59 18.047 -0.417 -4.036 1.00 64.32 H new ATOM 0 HB VAL A 59 19.514 -1.763 -2.409 1.00 74.24 H new ATOM 0 HG11 VAL A 59 17.576 -2.895 -1.399 1.00 23.35 H new ATOM 0 HG12 VAL A 59 17.164 -1.259 -1.967 1.00 23.35 H new ATOM 0 HG13 VAL A 59 16.667 -2.681 -2.914 1.00 23.35 H new ATOM 0 HG21 VAL A 59 19.320 -4.213 -2.552 1.00 5.23 H new ATOM 0 HG22 VAL A 59 18.481 -4.052 -4.113 1.00 5.23 H new ATOM 0 HG23 VAL A 59 20.177 -3.536 -3.957 1.00 5.23 H new ATOM 877 N PRO A 60 20.592 0.075 -4.160 1.00 23.14 N ATOM 878 CA PRO A 60 21.925 0.564 -4.526 1.00 14.42 C ATOM 879 C PRO A 60 23.022 -0.443 -4.201 1.00 70.43 C ATOM 880 O PRO A 60 23.409 -0.603 -3.045 1.00 22.34 O ATOM 881 CB PRO A 60 22.087 1.825 -3.672 1.00 75.40 C ATOM 882 CG PRO A 60 21.192 1.606 -2.501 1.00 52.31 C ATOM 883 CD PRO A 60 20.026 0.807 -3.014 1.00 22.41 C ATOM 0 HA PRO A 60 22.013 0.743 -5.598 1.00 14.42 H new ATOM 0 HB2 PRO A 60 23.122 1.961 -3.359 1.00 75.40 H new ATOM 0 HB3 PRO A 60 21.802 2.719 -4.227 1.00 75.40 H new ATOM 0 HG2 PRO A 60 21.713 1.071 -1.707 1.00 52.31 H new ATOM 0 HG3 PRO A 60 20.860 2.555 -2.081 1.00 52.31 H new ATOM 0 HD2 PRO A 60 19.639 0.128 -2.255 1.00 22.41 H new ATOM 0 HD3 PRO A 60 19.200 1.450 -3.317 1.00 22.41 H new ATOM 891 N GLY A 61 23.520 -1.121 -5.231 1.00 61.41 N ATOM 892 CA GLY A 61 24.569 -2.105 -5.034 1.00 74.11 C ATOM 893 C GLY A 61 24.914 -2.848 -6.309 1.00 74.25 C ATOM 894 O GLY A 61 24.644 -2.367 -7.410 1.00 54.21 O ATOM 0 H GLY A 61 23.216 -1.006 -6.198 1.00 61.41 H new ATOM 0 HA2 GLY A 61 25.462 -1.609 -4.654 1.00 74.11 H new ATOM 0 HA3 GLY A 61 24.254 -2.820 -4.274 1.00 74.11 H new ATOM 898 N LYS A 62 25.514 -4.024 -6.163 1.00 72.51 N ATOM 899 CA LYS A 62 25.897 -4.836 -7.312 1.00 24.52 C ATOM 900 C LYS A 62 24.800 -5.837 -7.662 1.00 3.14 C ATOM 901 O LYS A 62 23.901 -6.093 -6.860 1.00 64.51 O ATOM 902 CB LYS A 62 27.205 -5.577 -7.025 1.00 23.43 C ATOM 903 CG LYS A 62 28.359 -5.140 -7.911 1.00 21.24 C ATOM 904 CD LYS A 62 29.561 -6.057 -7.754 1.00 75.24 C ATOM 905 CE LYS A 62 30.752 -5.556 -8.556 1.00 2.14 C ATOM 906 NZ LYS A 62 31.783 -6.615 -8.738 1.00 70.02 N ATOM 0 H LYS A 62 25.746 -4.437 -5.259 1.00 72.51 H new ATOM 0 HA LYS A 62 26.042 -4.171 -8.163 1.00 24.52 H new ATOM 0 HB2 LYS A 62 27.480 -5.421 -5.982 1.00 23.43 H new ATOM 0 HB3 LYS A 62 27.043 -6.647 -7.155 1.00 23.43 H new ATOM 0 HG2 LYS A 62 28.038 -5.135 -8.953 1.00 21.24 H new ATOM 0 HG3 LYS A 62 28.644 -4.118 -7.661 1.00 21.24 H new ATOM 0 HD2 LYS A 62 29.833 -6.125 -6.701 1.00 75.24 H new ATOM 0 HD3 LYS A 62 29.298 -7.063 -8.081 1.00 75.24 H new ATOM 0 HE2 LYS A 62 30.412 -5.208 -9.532 1.00 2.14 H new ATOM 0 HE3 LYS A 62 31.197 -4.699 -8.049 1.00 2.14 H new ATOM 0 HZ1 LYS A 62 32.578 -6.234 -9.289 1.00 70.02 H new ATOM 0 HZ2 LYS A 62 32.126 -6.929 -7.808 1.00 70.02 H new ATOM 0 HZ3 LYS A 62 31.366 -7.422 -9.244 1.00 70.02 H new ATOM 920 N CYS A 63 24.881 -6.400 -8.862 1.00 74.24 N ATOM 921 CA CYS A 63 23.896 -7.374 -9.318 1.00 54.43 C ATOM 922 C CYS A 63 24.487 -8.780 -9.331 1.00 73.44 C ATOM 923 O CYS A 63 25.682 -8.959 -9.564 1.00 72.41 O ATOM 924 CB CYS A 63 23.394 -7.006 -10.716 1.00 61.33 C ATOM 925 SG CYS A 63 22.185 -8.182 -11.405 1.00 62.03 S ATOM 0 H CYS A 63 25.619 -6.199 -9.537 1.00 74.24 H new ATOM 0 HA CYS A 63 23.057 -7.359 -8.622 1.00 54.43 H new ATOM 0 HB2 CYS A 63 22.941 -6.015 -10.679 1.00 61.33 H new ATOM 0 HB3 CYS A 63 24.247 -6.941 -11.391 1.00 61.33 H new ATOM 930 N GLN A 64 23.641 -9.774 -9.080 1.00 74.00 N ATOM 931 CA GLN A 64 24.080 -11.164 -9.062 1.00 75.45 C ATOM 932 C GLN A 64 22.885 -12.112 -9.017 1.00 2.32 C ATOM 933 O GLN A 64 21.827 -11.821 -9.575 1.00 54.40 O ATOM 934 CB GLN A 64 24.993 -11.418 -7.862 1.00 12.12 C ATOM 935 CG GLN A 64 24.314 -11.188 -6.521 1.00 55.35 C ATOM 936 CD GLN A 64 24.167 -9.717 -6.186 1.00 41.55 C ATOM 937 OE1 GLN A 64 23.134 -9.105 -6.460 1.00 73.53 O ATOM 938 NE2 GLN A 64 25.203 -9.139 -5.590 1.00 44.22 N ATOM 0 H GLN A 64 22.648 -9.642 -8.886 1.00 74.00 H new ATOM 0 HA GLN A 64 24.637 -11.354 -9.979 1.00 75.45 H new ATOM 0 HB2 GLN A 64 25.357 -12.444 -7.904 1.00 12.12 H new ATOM 0 HB3 GLN A 64 25.864 -10.767 -7.935 1.00 12.12 H new ATOM 0 HG2 GLN A 64 23.329 -11.654 -6.532 1.00 55.35 H new ATOM 0 HG3 GLN A 64 24.890 -11.679 -5.737 1.00 55.35 H new ATOM 0 HE21 GLN A 64 26.040 -9.683 -5.381 1.00 44.22 H new ATOM 0 HE22 GLN A 64 25.162 -8.151 -5.341 1.00 44.22 H new