USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.708 K(o=1.9,f=-4.8!) USER MOD Set 1.2: A 86 THR OG1 : rot -82:sc= 1.22 USER MOD Set 2.1: A 57 SER OG : rot -74:sc= 0.65 USER MOD Set 2.2: A 61 SER OG : rot 84:sc= 0.513 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.0707 X(o=0.14,f=0) USER MOD Set 3.2: A 28 SER OG : rot -132:sc= 0.0697 USER MOD Single : A 2 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0602) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 118:sc= 0.0518 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0793) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.818 K(o=-0.82,f=-8.9!) USER MOD Single : A 24 ASN : amide:sc= -0.0952 K(o=-0.095,f=-2.5!) USER MOD Single : A 26 TYR OH : rot 135:sc= 0.0756 USER MOD Single : A 31 HIS : no HE2:sc= -0.0193 X(o=-0.019,f=-0.31) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0219) USER MOD Single : A 42 ASN : amide:sc= 0.723 K(o=0.72,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0.895 (180deg=0.888) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -150:sc=-0.00683 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc=-0.00546 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 48:sc= 0.017 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 114:sc= 0.903 USER MOD Single : A 83 ASN : amide:sc= -0.0693 K(o=-0.069,f=-3.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 89 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.044) USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 0.575 (180deg=-1.09) USER MOD Single : A 94 LYS NZ :NH3+ -133:sc= -0.0526 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 3.737 -5.556 -2.090 1.00 11.44 N ATOM 40 CA GLN A 2 3.777 -6.289 -3.346 1.00 2.04 C ATOM 41 C GLN A 2 4.445 -7.650 -3.130 1.00 43.12 C ATOM 42 O GLN A 2 5.667 -7.763 -3.218 1.00 55.41 O ATOM 43 CB GLN A 2 4.498 -5.440 -4.404 1.00 72.24 C ATOM 44 CG GLN A 2 4.438 -6.113 -5.780 1.00 55.02 C ATOM 45 CD GLN A 2 5.114 -5.267 -6.856 1.00 74.43 C ATOM 46 OE1 GLN A 2 6.212 -5.590 -7.303 1.00 4.55 O ATOM 47 NE2 GLN A 2 4.449 -4.192 -7.289 1.00 64.34 N ATOM 0 HA GLN A 2 2.767 -6.482 -3.709 1.00 2.04 H new ATOM 0 HB2 GLN A 2 4.040 -4.452 -4.458 1.00 72.24 H new ATOM 0 HB3 GLN A 2 5.538 -5.293 -4.112 1.00 72.24 H new ATOM 0 HG2 GLN A 2 4.921 -7.089 -5.728 1.00 55.02 H new ATOM 0 HG3 GLN A 2 3.397 -6.286 -6.055 1.00 55.02 H new ATOM 0 HE21 GLN A 2 3.539 -3.960 -6.890 1.00 64.34 H new ATOM 0 HE22 GLN A 2 4.851 -3.603 -8.018 1.00 64.34 H new ATOM 56 N ARG A 3 3.634 -8.680 -2.854 1.00 0.34 N ATOM 57 CA ARG A 3 4.103 -10.044 -2.653 1.00 60.53 C ATOM 58 C ARG A 3 4.129 -10.783 -3.992 1.00 33.12 C ATOM 59 O ARG A 3 3.157 -10.743 -4.745 1.00 31.24 O ATOM 60 CB ARG A 3 3.219 -10.784 -1.641 1.00 72.32 C ATOM 61 CG ARG A 3 3.075 -9.990 -0.336 1.00 64.44 C ATOM 62 CD ARG A 3 2.438 -10.829 0.777 1.00 20.30 C ATOM 63 NE ARG A 3 3.286 -11.959 1.180 1.00 64.15 N ATOM 64 CZ ARG A 3 4.367 -11.877 1.977 1.00 3.31 C ATOM 65 NH1 ARG A 3 4.783 -10.700 2.466 1.00 75.53 N ATOM 66 NH2 ARG A 3 5.041 -12.993 2.286 1.00 73.41 N ATOM 0 H ARG A 3 2.623 -8.581 -2.764 1.00 0.34 H new ATOM 0 HA ARG A 3 5.114 -10.011 -2.247 1.00 60.53 H new ATOM 0 HB2 ARG A 3 2.234 -10.956 -2.074 1.00 72.32 H new ATOM 0 HB3 ARG A 3 3.649 -11.763 -1.427 1.00 72.32 H new ATOM 0 HG2 ARG A 3 4.056 -9.643 -0.012 1.00 64.44 H new ATOM 0 HG3 ARG A 3 2.467 -9.104 -0.516 1.00 64.44 H new ATOM 0 HD2 ARG A 3 2.247 -10.195 1.643 1.00 20.30 H new ATOM 0 HD3 ARG A 3 1.473 -11.205 0.438 1.00 20.30 H new ATOM 0 HE ARG A 3 3.034 -12.882 0.826 1.00 64.15 H new ATOM 0 HH11 ARG A 3 4.277 -9.845 2.236 1.00 75.53 H new ATOM 0 HH12 ARG A 3 5.605 -10.660 3.069 1.00 75.53 H new ATOM 0 HH21 ARG A 3 4.733 -13.893 1.918 1.00 73.41 H new ATOM 0 HH22 ARG A 3 5.862 -12.942 2.889 1.00 73.41 H new ATOM 80 N THR A 4 5.255 -11.442 -4.283 1.00 11.11 N ATOM 81 CA THR A 4 5.513 -12.134 -5.539 1.00 62.12 C ATOM 82 C THR A 4 5.127 -13.616 -5.420 1.00 74.43 C ATOM 83 O THR A 4 5.109 -14.150 -4.311 1.00 21.23 O ATOM 84 CB THR A 4 7.005 -11.984 -5.891 1.00 42.45 C ATOM 85 OG1 THR A 4 7.816 -12.463 -4.835 1.00 71.13 O ATOM 86 CG2 THR A 4 7.362 -10.524 -6.188 1.00 2.11 C ATOM 0 H THR A 4 6.033 -11.508 -3.627 1.00 11.11 H new ATOM 0 HA THR A 4 4.909 -11.695 -6.333 1.00 62.12 H new ATOM 0 HB THR A 4 7.191 -12.577 -6.786 1.00 42.45 H new ATOM 0 HG1 THR A 4 8.760 -12.362 -5.076 1.00 71.13 H new ATOM 0 HG21 THR A 4 8.422 -10.451 -6.433 1.00 2.11 H new ATOM 0 HG22 THR A 4 6.769 -10.169 -7.031 1.00 2.11 H new ATOM 0 HG23 THR A 4 7.149 -9.912 -5.312 1.00 2.11 H new ATOM 94 N PRO A 5 4.844 -14.298 -6.545 1.00 73.44 N ATOM 95 CA PRO A 5 4.606 -15.736 -6.586 1.00 54.51 C ATOM 96 C PRO A 5 5.846 -16.501 -6.119 1.00 23.51 C ATOM 97 O PRO A 5 6.829 -16.594 -6.854 1.00 72.32 O ATOM 98 CB PRO A 5 4.274 -16.058 -8.050 1.00 5.43 C ATOM 99 CG PRO A 5 4.908 -14.915 -8.832 1.00 2.41 C ATOM 100 CD PRO A 5 4.746 -13.735 -7.882 1.00 13.20 C ATOM 0 HA PRO A 5 3.794 -16.032 -5.921 1.00 54.51 H new ATOM 0 HB2 PRO A 5 4.684 -17.022 -8.349 1.00 5.43 H new ATOM 0 HB3 PRO A 5 3.197 -16.105 -8.214 1.00 5.43 H new ATOM 0 HG2 PRO A 5 5.956 -15.111 -9.060 1.00 2.41 H new ATOM 0 HG3 PRO A 5 4.402 -14.744 -9.782 1.00 2.41 H new ATOM 0 HD2 PRO A 5 5.520 -12.986 -8.050 1.00 13.20 H new ATOM 0 HD3 PRO A 5 3.786 -13.240 -8.030 1.00 13.20 H new ATOM 108 N LYS A 6 5.793 -17.061 -4.903 1.00 41.23 N ATOM 109 CA LYS A 6 6.854 -17.903 -4.372 1.00 24.12 C ATOM 110 C LYS A 6 6.716 -19.307 -4.963 1.00 33.41 C ATOM 111 O LYS A 6 5.765 -20.026 -4.658 1.00 43.12 O ATOM 112 CB LYS A 6 6.816 -17.910 -2.839 1.00 34.10 C ATOM 113 CG LYS A 6 7.864 -18.878 -2.274 1.00 44.12 C ATOM 114 CD LYS A 6 7.938 -18.777 -0.748 1.00 72.31 C ATOM 115 CE LYS A 6 8.886 -19.829 -0.161 1.00 41.14 C ATOM 116 NZ LYS A 6 10.273 -19.648 -0.624 1.00 40.15 N ATOM 0 H LYS A 6 5.007 -16.938 -4.264 1.00 41.23 H new ATOM 0 HA LYS A 6 7.828 -17.506 -4.658 1.00 24.12 H new ATOM 0 HB2 LYS A 6 7.002 -16.905 -2.461 1.00 34.10 H new ATOM 0 HB3 LYS A 6 5.823 -18.201 -2.496 1.00 34.10 H new ATOM 0 HG2 LYS A 6 7.614 -19.899 -2.563 1.00 44.12 H new ATOM 0 HG3 LYS A 6 8.840 -18.655 -2.705 1.00 44.12 H new ATOM 0 HD2 LYS A 6 8.278 -17.781 -0.464 1.00 72.31 H new ATOM 0 HD3 LYS A 6 6.942 -18.907 -0.325 1.00 72.31 H new ATOM 0 HE2 LYS A 6 8.858 -19.774 0.927 1.00 41.14 H new ATOM 0 HE3 LYS A 6 8.539 -20.824 -0.439 1.00 41.14 H new ATOM 0 HZ1 LYS A 6 10.895 -20.315 -0.125 1.00 40.15 H new ATOM 0 HZ2 LYS A 6 10.323 -19.826 -1.647 1.00 40.15 H new ATOM 0 HZ3 LYS A 6 10.581 -18.674 -0.427 1.00 40.15 H new ATOM 130 N ILE A 7 7.683 -19.675 -5.810 1.00 15.51 N ATOM 131 CA ILE A 7 7.729 -20.939 -6.530 1.00 11.32 C ATOM 132 C ILE A 7 8.094 -22.093 -5.591 1.00 61.41 C ATOM 133 O ILE A 7 9.015 -21.972 -4.782 1.00 74.32 O ATOM 134 CB ILE A 7 8.704 -20.828 -7.721 1.00 61.24 C ATOM 135 CG1 ILE A 7 10.153 -20.531 -7.279 1.00 25.54 C ATOM 136 CG2 ILE A 7 8.175 -19.769 -8.698 1.00 24.34 C ATOM 137 CD1 ILE A 7 11.124 -20.352 -8.449 1.00 32.21 C ATOM 0 H ILE A 7 8.481 -19.075 -6.016 1.00 15.51 H new ATOM 0 HA ILE A 7 6.738 -21.160 -6.927 1.00 11.32 H new ATOM 0 HB ILE A 7 8.749 -21.794 -8.224 1.00 61.24 H new ATOM 0 HG12 ILE A 7 10.160 -19.627 -6.670 1.00 25.54 H new ATOM 0 HG13 ILE A 7 10.505 -21.345 -6.646 1.00 25.54 H new ATOM 0 HG21 ILE A 7 8.857 -19.682 -9.544 1.00 24.34 H new ATOM 0 HG22 ILE A 7 7.188 -20.064 -9.055 1.00 24.34 H new ATOM 0 HG23 ILE A 7 8.104 -18.808 -8.189 1.00 24.34 H new ATOM 0 HD11 ILE A 7 12.123 -20.146 -8.065 1.00 32.21 H new ATOM 0 HD12 ILE A 7 11.146 -21.263 -9.046 1.00 32.21 H new ATOM 0 HD13 ILE A 7 10.796 -19.519 -9.070 1.00 32.21 H new ATOM 149 N GLN A 8 7.360 -23.208 -5.703 1.00 2.44 N ATOM 150 CA GLN A 8 7.606 -24.449 -4.980 1.00 33.32 C ATOM 151 C GLN A 8 7.189 -25.598 -5.905 1.00 2.11 C ATOM 152 O GLN A 8 6.085 -26.122 -5.777 1.00 3.45 O ATOM 153 CB GLN A 8 6.817 -24.470 -3.658 1.00 43.21 C ATOM 154 CG GLN A 8 7.200 -23.348 -2.680 1.00 23.42 C ATOM 155 CD GLN A 8 6.377 -23.394 -1.393 1.00 1.32 C ATOM 156 OE1 GLN A 8 5.693 -22.429 -1.057 1.00 73.22 O ATOM 157 NE2 GLN A 8 6.443 -24.512 -0.665 1.00 44.53 N ATOM 0 H GLN A 8 6.552 -23.266 -6.323 1.00 2.44 H new ATOM 0 HA GLN A 8 8.659 -24.547 -4.714 1.00 33.32 H new ATOM 0 HB2 GLN A 8 5.753 -24.395 -3.881 1.00 43.21 H new ATOM 0 HB3 GLN A 8 6.973 -25.432 -3.170 1.00 43.21 H new ATOM 0 HG2 GLN A 8 8.259 -23.429 -2.435 1.00 23.42 H new ATOM 0 HG3 GLN A 8 7.058 -22.382 -3.165 1.00 23.42 H new ATOM 0 HE21 GLN A 8 7.022 -25.291 -0.978 1.00 44.53 H new ATOM 0 HE22 GLN A 8 5.914 -24.587 0.204 1.00 44.53 H new ATOM 166 N VAL A 9 8.060 -25.947 -6.865 1.00 24.30 N ATOM 167 CA VAL A 9 7.760 -26.854 -7.971 1.00 14.31 C ATOM 168 C VAL A 9 8.370 -28.234 -7.718 1.00 61.34 C ATOM 169 O VAL A 9 9.455 -28.545 -8.208 1.00 72.43 O ATOM 170 CB VAL A 9 8.280 -26.254 -9.287 1.00 22.20 C ATOM 171 CG1 VAL A 9 7.793 -27.057 -10.500 1.00 54.23 C ATOM 172 CG2 VAL A 9 7.840 -24.797 -9.461 1.00 13.01 C ATOM 0 H VAL A 9 9.017 -25.594 -6.889 1.00 24.30 H new ATOM 0 HA VAL A 9 6.680 -26.979 -8.047 1.00 14.31 H new ATOM 0 HB VAL A 9 9.368 -26.297 -9.232 1.00 22.20 H new ATOM 0 HG11 VAL A 9 8.179 -26.606 -11.414 1.00 54.23 H new ATOM 0 HG12 VAL A 9 8.150 -28.084 -10.424 1.00 54.23 H new ATOM 0 HG13 VAL A 9 6.703 -27.053 -10.525 1.00 54.23 H new ATOM 0 HG21 VAL A 9 8.228 -24.410 -10.403 1.00 13.01 H new ATOM 0 HG22 VAL A 9 6.751 -24.744 -9.468 1.00 13.01 H new ATOM 0 HG23 VAL A 9 8.227 -24.199 -8.636 1.00 13.01 H new ATOM 182 N TYR A 10 7.652 -29.057 -6.952 1.00 12.03 N ATOM 183 CA TYR A 10 8.053 -30.416 -6.596 1.00 32.24 C ATOM 184 C TYR A 10 7.167 -31.419 -7.335 1.00 62.51 C ATOM 185 O TYR A 10 6.092 -31.052 -7.798 1.00 20.45 O ATOM 186 CB TYR A 10 7.971 -30.608 -5.072 1.00 71.55 C ATOM 187 CG TYR A 10 6.616 -30.365 -4.430 1.00 13.43 C ATOM 188 CD1 TYR A 10 6.216 -29.056 -4.102 1.00 24.21 C ATOM 189 CD2 TYR A 10 5.803 -31.453 -4.059 1.00 31.12 C ATOM 190 CE1 TYR A 10 4.974 -28.831 -3.481 1.00 53.31 C ATOM 191 CE2 TYR A 10 4.569 -31.230 -3.426 1.00 42.23 C ATOM 192 CZ TYR A 10 4.146 -29.918 -3.151 1.00 0.44 C ATOM 193 OH TYR A 10 2.932 -29.695 -2.571 1.00 52.33 O ATOM 0 H TYR A 10 6.753 -28.788 -6.553 1.00 12.03 H new ATOM 0 HA TYR A 10 9.087 -30.586 -6.896 1.00 32.24 H new ATOM 0 HB2 TYR A 10 8.281 -31.627 -4.839 1.00 71.55 H new ATOM 0 HB3 TYR A 10 8.695 -29.940 -4.605 1.00 71.55 H new ATOM 0 HD1 TYR A 10 6.864 -28.222 -4.328 1.00 24.21 H new ATOM 0 HD2 TYR A 10 6.129 -32.462 -4.262 1.00 31.12 H new ATOM 0 HE1 TYR A 10 4.657 -27.823 -3.258 1.00 53.31 H new ATOM 0 HE2 TYR A 10 3.945 -32.067 -3.150 1.00 42.23 H new ATOM 0 HH TYR A 10 2.485 -30.552 -2.408 1.00 52.33 H new ATOM 203 N SER A 11 7.594 -32.681 -7.436 1.00 34.42 N ATOM 204 CA SER A 11 6.761 -33.765 -7.938 1.00 63.24 C ATOM 205 C SER A 11 6.088 -34.493 -6.779 1.00 72.32 C ATOM 206 O SER A 11 6.589 -34.507 -5.656 1.00 53.34 O ATOM 207 CB SER A 11 7.584 -34.756 -8.761 1.00 74.23 C ATOM 208 OG SER A 11 8.816 -35.055 -8.142 1.00 51.55 O ATOM 0 H SER A 11 8.533 -32.976 -7.169 1.00 34.42 H new ATOM 0 HA SER A 11 5.998 -33.330 -8.584 1.00 63.24 H new ATOM 0 HB2 SER A 11 7.014 -35.675 -8.899 1.00 74.23 H new ATOM 0 HB3 SER A 11 7.766 -34.342 -9.753 1.00 74.23 H new ATOM 0 HG SER A 11 8.848 -36.009 -7.921 1.00 51.55 H new ATOM 214 N ARG A 12 4.958 -35.133 -7.080 1.00 25.24 N ATOM 215 CA ARG A 12 4.244 -35.995 -6.156 1.00 14.43 C ATOM 216 C ARG A 12 4.920 -37.368 -6.147 1.00 4.23 C ATOM 217 O ARG A 12 5.297 -37.869 -5.090 1.00 31.43 O ATOM 218 CB ARG A 12 2.769 -36.078 -6.576 1.00 11.40 C ATOM 219 CG ARG A 12 1.890 -36.965 -5.681 1.00 42.44 C ATOM 220 CD ARG A 12 1.819 -36.475 -4.229 1.00 54.42 C ATOM 221 NE ARG A 12 3.031 -36.841 -3.481 1.00 33.24 N ATOM 222 CZ ARG A 12 3.631 -36.106 -2.529 1.00 52.24 C ATOM 223 NH1 ARG A 12 3.067 -34.990 -2.044 1.00 62.44 N ATOM 224 NH2 ARG A 12 4.826 -36.496 -2.067 1.00 1.20 N ATOM 0 H ARG A 12 4.510 -35.061 -7.993 1.00 25.24 H new ATOM 0 HA ARG A 12 4.274 -35.595 -5.143 1.00 14.43 H new ATOM 0 HB2 ARG A 12 2.352 -35.071 -6.586 1.00 11.40 H new ATOM 0 HB3 ARG A 12 2.718 -36.454 -7.598 1.00 11.40 H new ATOM 0 HG2 ARG A 12 0.882 -37.002 -6.095 1.00 42.44 H new ATOM 0 HG3 ARG A 12 2.279 -37.983 -5.696 1.00 42.44 H new ATOM 0 HD2 ARG A 12 1.693 -35.392 -4.214 1.00 54.42 H new ATOM 0 HD3 ARG A 12 0.944 -36.904 -3.741 1.00 54.42 H new ATOM 0 HE ARG A 12 3.458 -37.740 -3.706 1.00 33.24 H new ATOM 0 HH11 ARG A 12 2.162 -34.681 -2.398 1.00 62.44 H new ATOM 0 HH12 ARG A 12 3.544 -34.450 -1.321 1.00 62.44 H new ATOM 0 HH21 ARG A 12 5.266 -37.338 -2.438 1.00 1.20 H new ATOM 0 HH22 ARG A 12 5.296 -35.951 -1.345 1.00 1.20 H new ATOM 238 N HIS A 13 5.069 -37.959 -7.339 1.00 61.42 N ATOM 239 CA HIS A 13 5.713 -39.246 -7.561 1.00 12.41 C ATOM 240 C HIS A 13 7.222 -39.048 -7.759 1.00 44.44 C ATOM 241 O HIS A 13 7.652 -37.950 -8.105 1.00 42.15 O ATOM 242 CB HIS A 13 5.087 -39.884 -8.807 1.00 4.31 C ATOM 243 CG HIS A 13 3.637 -40.250 -8.622 1.00 24.41 C ATOM 244 ND1 HIS A 13 3.226 -41.548 -8.361 1.00 12.43 N ATOM 245 CD2 HIS A 13 2.483 -39.503 -8.641 1.00 23.13 C ATOM 246 CE1 HIS A 13 1.888 -41.523 -8.226 1.00 13.31 C ATOM 247 NE2 HIS A 13 1.374 -40.302 -8.384 1.00 71.44 N ATOM 0 H HIS A 13 4.730 -37.534 -8.202 1.00 61.42 H new ATOM 0 HA HIS A 13 5.568 -39.898 -6.699 1.00 12.41 H new ATOM 0 HB2 HIS A 13 5.176 -39.193 -9.645 1.00 4.31 H new ATOM 0 HB3 HIS A 13 5.650 -40.779 -9.071 1.00 4.31 H new ATOM 0 HD2 HIS A 13 2.443 -38.440 -8.830 1.00 23.13 H new ATOM 0 HE1 HIS A 13 1.293 -42.399 -8.012 1.00 13.31 H new ATOM 0 HE2 HIS A 13 0.395 -40.020 -8.329 1.00 71.44 H new ATOM 255 N PRO A 14 8.043 -40.095 -7.570 1.00 0.42 N ATOM 256 CA PRO A 14 9.464 -40.053 -7.884 1.00 42.52 C ATOM 257 C PRO A 14 9.678 -39.982 -9.400 1.00 45.21 C ATOM 258 O PRO A 14 8.800 -40.357 -10.178 1.00 44.43 O ATOM 259 CB PRO A 14 10.047 -41.338 -7.291 1.00 2.05 C ATOM 260 CG PRO A 14 8.868 -42.308 -7.352 1.00 63.53 C ATOM 261 CD PRO A 14 7.675 -41.402 -7.050 1.00 24.20 C ATOM 0 HA PRO A 14 9.953 -39.171 -7.470 1.00 42.52 H new ATOM 0 HB2 PRO A 14 10.898 -41.700 -7.868 1.00 2.05 H new ATOM 0 HB3 PRO A 14 10.395 -41.189 -6.269 1.00 2.05 H new ATOM 0 HG2 PRO A 14 8.781 -42.780 -8.331 1.00 63.53 H new ATOM 0 HG3 PRO A 14 8.964 -43.109 -6.619 1.00 63.53 H new ATOM 0 HD2 PRO A 14 6.768 -41.774 -7.527 1.00 24.20 H new ATOM 0 HD3 PRO A 14 7.476 -41.357 -5.979 1.00 24.20 H new ATOM 269 N ALA A 15 10.854 -39.492 -9.809 1.00 55.11 N ATOM 270 CA ALA A 15 11.212 -39.274 -11.204 1.00 21.24 C ATOM 271 C ALA A 15 11.694 -40.575 -11.852 1.00 23.23 C ATOM 272 O ALA A 15 12.854 -40.685 -12.248 1.00 24.20 O ATOM 273 CB ALA A 15 12.274 -38.170 -11.268 1.00 44.22 C ATOM 0 H ALA A 15 11.596 -39.232 -9.159 1.00 55.11 H new ATOM 0 HA ALA A 15 10.337 -38.953 -11.770 1.00 21.24 H new ATOM 0 HB1 ALA A 15 12.554 -37.994 -12.307 1.00 44.22 H new ATOM 0 HB2 ALA A 15 11.871 -37.252 -10.840 1.00 44.22 H new ATOM 0 HB3 ALA A 15 13.154 -38.478 -10.703 1.00 44.22 H new ATOM 279 N GLU A 16 10.791 -41.557 -11.967 1.00 4.52 N ATOM 280 CA GLU A 16 11.073 -42.858 -12.556 1.00 65.15 C ATOM 281 C GLU A 16 10.898 -42.785 -14.074 1.00 24.34 C ATOM 282 O GLU A 16 9.945 -42.180 -14.563 1.00 40.31 O ATOM 283 CB GLU A 16 10.151 -43.911 -11.927 1.00 32.50 C ATOM 284 CG GLU A 16 10.555 -45.335 -12.335 1.00 61.32 C ATOM 285 CD GLU A 16 9.607 -46.397 -11.779 1.00 60.15 C ATOM 286 OE1 GLU A 16 9.040 -46.160 -10.690 1.00 33.21 O ATOM 287 OE2 GLU A 16 9.465 -47.439 -12.456 1.00 11.22 O ATOM 0 H GLU A 16 9.828 -41.461 -11.645 1.00 4.52 H new ATOM 0 HA GLU A 16 12.104 -43.148 -12.354 1.00 65.15 H new ATOM 0 HB2 GLU A 16 10.183 -43.821 -10.841 1.00 32.50 H new ATOM 0 HB3 GLU A 16 9.122 -43.723 -12.233 1.00 32.50 H new ATOM 0 HG2 GLU A 16 10.576 -45.405 -13.423 1.00 61.32 H new ATOM 0 HG3 GLU A 16 11.567 -45.536 -11.983 1.00 61.32 H new ATOM 294 N ASN A 17 11.828 -43.404 -14.812 1.00 13.31 N ATOM 295 CA ASN A 17 11.838 -43.431 -16.267 1.00 52.15 C ATOM 296 C ASN A 17 10.594 -44.145 -16.802 1.00 72.52 C ATOM 297 O ASN A 17 10.362 -45.309 -16.480 1.00 71.14 O ATOM 298 CB ASN A 17 13.115 -44.135 -16.743 1.00 64.32 C ATOM 299 CG ASN A 17 13.211 -44.163 -18.267 1.00 64.32 C ATOM 300 OD1 ASN A 17 12.924 -45.182 -18.892 1.00 34.23 O ATOM 301 ND2 ASN A 17 13.621 -43.043 -18.865 1.00 4.23 N ATOM 0 H ASN A 17 12.610 -43.910 -14.397 1.00 13.31 H new ATOM 0 HA ASN A 17 11.823 -42.410 -16.650 1.00 52.15 H new ATOM 0 HB2 ASN A 17 13.986 -43.624 -16.333 1.00 64.32 H new ATOM 0 HB3 ASN A 17 13.133 -45.155 -16.359 1.00 64.32 H new ATOM 0 HD21 ASN A 17 13.707 -43.009 -19.881 1.00 4.23 H new ATOM 0 HD22 ASN A 17 13.849 -42.221 -18.306 1.00 4.23 H new ATOM 308 N GLY A 18 9.810 -43.442 -17.629 1.00 42.21 N ATOM 309 CA GLY A 18 8.632 -43.976 -18.292 1.00 20.34 C ATOM 310 C GLY A 18 7.562 -44.415 -17.294 1.00 54.25 C ATOM 311 O GLY A 18 7.136 -45.569 -17.323 1.00 53.42 O ATOM 0 H GLY A 18 9.989 -42.464 -17.856 1.00 42.21 H new ATOM 0 HA2 GLY A 18 8.217 -43.220 -18.959 1.00 20.34 H new ATOM 0 HA3 GLY A 18 8.919 -44.825 -18.912 1.00 20.34 H new ATOM 315 N LYS A 19 7.124 -43.497 -16.422 1.00 2.53 N ATOM 316 CA LYS A 19 6.078 -43.764 -15.445 1.00 1.02 C ATOM 317 C LYS A 19 5.464 -42.444 -14.987 1.00 1.24 C ATOM 318 O LYS A 19 6.169 -41.597 -14.443 1.00 23.12 O ATOM 319 CB LYS A 19 6.657 -44.526 -14.251 1.00 51.55 C ATOM 320 CG LYS A 19 5.544 -45.012 -13.317 1.00 72.53 C ATOM 321 CD LYS A 19 6.170 -45.750 -12.130 1.00 53.43 C ATOM 322 CE LYS A 19 5.119 -46.359 -11.199 1.00 42.31 C ATOM 323 NZ LYS A 19 4.385 -47.457 -11.850 1.00 71.54 N ATOM 0 H LYS A 19 7.491 -42.546 -16.380 1.00 2.53 H new ATOM 0 HA LYS A 19 5.302 -44.379 -15.902 1.00 1.02 H new ATOM 0 HB2 LYS A 19 7.237 -45.378 -14.606 1.00 51.55 H new ATOM 0 HB3 LYS A 19 7.342 -43.881 -13.701 1.00 51.55 H new ATOM 0 HG2 LYS A 19 4.953 -44.166 -12.965 1.00 72.53 H new ATOM 0 HG3 LYS A 19 4.864 -45.673 -13.855 1.00 72.53 H new ATOM 0 HD2 LYS A 19 6.824 -46.540 -12.501 1.00 53.43 H new ATOM 0 HD3 LYS A 19 6.795 -45.058 -11.565 1.00 53.43 H new ATOM 0 HE2 LYS A 19 5.604 -46.731 -10.296 1.00 42.31 H new ATOM 0 HE3 LYS A 19 4.416 -45.586 -10.888 1.00 42.31 H new ATOM 0 HZ1 LYS A 19 3.792 -47.943 -11.147 1.00 71.54 H new ATOM 0 HZ2 LYS A 19 3.782 -47.072 -12.605 1.00 71.54 H new ATOM 0 HZ3 LYS A 19 5.062 -48.133 -12.259 1.00 71.54 H new ATOM 337 N SER A 20 4.151 -42.294 -15.204 1.00 63.43 N ATOM 338 CA SER A 20 3.389 -41.070 -14.988 1.00 32.12 C ATOM 339 C SER A 20 3.655 -40.448 -13.615 1.00 73.54 C ATOM 340 O SER A 20 3.761 -41.158 -12.615 1.00 12.31 O ATOM 341 CB SER A 20 1.895 -41.346 -15.173 1.00 32.45 C ATOM 342 OG SER A 20 1.657 -41.923 -16.439 1.00 33.30 O ATOM 0 H SER A 20 3.571 -43.059 -15.550 1.00 63.43 H new ATOM 0 HA SER A 20 3.720 -40.344 -15.731 1.00 32.12 H new ATOM 0 HB2 SER A 20 1.542 -42.015 -14.388 1.00 32.45 H new ATOM 0 HB3 SER A 20 1.332 -40.418 -15.077 1.00 32.45 H new ATOM 0 HG SER A 20 0.698 -42.096 -16.544 1.00 33.30 H new ATOM 348 N ASN A 21 3.790 -39.117 -13.596 1.00 4.32 N ATOM 349 CA ASN A 21 4.219 -38.350 -12.439 1.00 20.43 C ATOM 350 C ASN A 21 3.451 -37.029 -12.419 1.00 62.24 C ATOM 351 O ASN A 21 3.471 -36.288 -13.399 1.00 12.21 O ATOM 352 CB ASN A 21 5.738 -38.142 -12.541 1.00 3.41 C ATOM 353 CG ASN A 21 6.354 -37.404 -11.353 1.00 61.42 C ATOM 354 OD1 ASN A 21 5.724 -36.539 -10.752 1.00 25.25 O ATOM 355 ND2 ASN A 21 7.597 -37.743 -11.007 1.00 11.41 N ATOM 0 H ASN A 21 3.597 -38.535 -14.411 1.00 4.32 H new ATOM 0 HA ASN A 21 4.009 -38.869 -11.504 1.00 20.43 H new ATOM 0 HB2 ASN A 21 6.220 -39.115 -12.639 1.00 3.41 H new ATOM 0 HB3 ASN A 21 5.956 -37.585 -13.452 1.00 3.41 H new ATOM 0 HD21 ASN A 21 8.052 -37.279 -10.221 1.00 11.41 H new ATOM 0 HD22 ASN A 21 8.092 -38.467 -11.528 1.00 11.41 H new ATOM 362 N PHE A 22 2.787 -36.731 -11.295 1.00 13.24 N ATOM 363 CA PHE A 22 2.070 -35.480 -11.108 1.00 62.14 C ATOM 364 C PHE A 22 3.016 -34.392 -10.601 1.00 42.23 C ATOM 365 O PHE A 22 3.792 -34.632 -9.680 1.00 2.05 O ATOM 366 CB PHE A 22 0.892 -35.661 -10.144 1.00 33.42 C ATOM 367 CG PHE A 22 -0.324 -36.332 -10.750 1.00 72.42 C ATOM 368 CD1 PHE A 22 -1.443 -35.558 -11.111 1.00 63.31 C ATOM 369 CD2 PHE A 22 -0.367 -37.731 -10.896 1.00 22.13 C ATOM 370 CE1 PHE A 22 -2.609 -36.181 -11.584 1.00 43.31 C ATOM 371 CE2 PHE A 22 -1.522 -38.350 -11.404 1.00 20.15 C ATOM 372 CZ PHE A 22 -2.643 -37.576 -11.748 1.00 31.20 C ATOM 0 H PHE A 22 2.737 -37.358 -10.492 1.00 13.24 H new ATOM 0 HA PHE A 22 1.671 -35.170 -12.074 1.00 62.14 H new ATOM 0 HB2 PHE A 22 1.226 -36.249 -9.289 1.00 33.42 H new ATOM 0 HB3 PHE A 22 0.598 -34.683 -9.763 1.00 33.42 H new ATOM 0 HD1 PHE A 22 -1.405 -34.482 -11.024 1.00 63.31 H new ATOM 0 HD2 PHE A 22 0.488 -38.329 -10.618 1.00 22.13 H new ATOM 0 HE1 PHE A 22 -3.480 -35.588 -11.822 1.00 43.31 H new ATOM 0 HE2 PHE A 22 -1.548 -39.422 -11.530 1.00 20.15 H new ATOM 0 HZ PHE A 22 -3.530 -38.053 -12.138 1.00 31.20 H new ATOM 382 N LEU A 23 2.925 -33.188 -11.181 1.00 11.14 N ATOM 383 CA LEU A 23 3.656 -32.011 -10.721 1.00 31.14 C ATOM 384 C LEU A 23 2.937 -31.424 -9.506 1.00 0.12 C ATOM 385 O LEU A 23 1.794 -31.788 -9.236 1.00 60.11 O ATOM 386 CB LEU A 23 3.735 -30.996 -11.876 1.00 11.00 C ATOM 387 CG LEU A 23 4.794 -29.886 -11.747 1.00 11.14 C ATOM 388 CD1 LEU A 23 6.212 -30.447 -11.581 1.00 62.24 C ATOM 389 CD2 LEU A 23 4.762 -29.027 -13.017 1.00 73.34 C ATOM 0 H LEU A 23 2.333 -33.007 -11.992 1.00 11.14 H new ATOM 0 HA LEU A 23 4.671 -32.273 -10.422 1.00 31.14 H new ATOM 0 HB2 LEU A 23 3.926 -31.544 -12.799 1.00 11.00 H new ATOM 0 HB3 LEU A 23 2.758 -30.524 -11.982 1.00 11.00 H new ATOM 0 HG LEU A 23 4.555 -29.303 -10.857 1.00 11.14 H new ATOM 0 HD11 LEU A 23 6.921 -29.624 -11.494 1.00 62.24 H new ATOM 0 HD12 LEU A 23 6.257 -31.061 -10.682 1.00 62.24 H new ATOM 0 HD13 LEU A 23 6.467 -31.055 -12.449 1.00 62.24 H new ATOM 0 HD21 LEU A 23 5.508 -28.236 -12.940 1.00 73.34 H new ATOM 0 HD22 LEU A 23 4.983 -29.650 -13.884 1.00 73.34 H new ATOM 0 HD23 LEU A 23 3.773 -28.584 -13.131 1.00 73.34 H new ATOM 401 N ASN A 24 3.592 -30.515 -8.776 1.00 14.21 N ATOM 402 CA ASN A 24 2.977 -29.744 -7.709 1.00 72.13 C ATOM 403 C ASN A 24 3.571 -28.339 -7.731 1.00 73.42 C ATOM 404 O ASN A 24 4.365 -27.991 -6.859 1.00 25.22 O ATOM 405 CB ASN A 24 3.225 -30.409 -6.348 1.00 74.12 C ATOM 406 CG ASN A 24 2.660 -31.822 -6.234 1.00 0.13 C ATOM 407 OD1 ASN A 24 3.416 -32.775 -6.071 1.00 34.34 O ATOM 408 ND2 ASN A 24 1.334 -31.961 -6.302 1.00 24.13 N ATOM 0 H ASN A 24 4.578 -30.297 -8.918 1.00 14.21 H new ATOM 0 HA ASN A 24 1.899 -29.697 -7.862 1.00 72.13 H new ATOM 0 HB2 ASN A 24 4.298 -30.442 -6.162 1.00 74.12 H new ATOM 0 HB3 ASN A 24 2.785 -29.789 -5.567 1.00 74.12 H new ATOM 0 HD21 ASN A 24 0.913 -32.886 -6.218 1.00 24.13 H new ATOM 0 HD22 ASN A 24 0.742 -31.142 -6.438 1.00 24.13 H new ATOM 415 N CYS A 25 3.179 -27.530 -8.722 1.00 1.11 N ATOM 416 CA CYS A 25 3.586 -26.134 -8.811 1.00 64.31 C ATOM 417 C CYS A 25 2.730 -25.310 -7.845 1.00 43.31 C ATOM 418 O CYS A 25 1.700 -24.756 -8.225 1.00 44.12 O ATOM 419 CB CYS A 25 3.517 -25.657 -10.267 1.00 53.25 C ATOM 420 SG CYS A 25 4.156 -23.986 -10.550 1.00 52.43 S ATOM 0 H CYS A 25 2.570 -27.831 -9.483 1.00 1.11 H new ATOM 0 HA CYS A 25 4.625 -26.006 -8.508 1.00 64.31 H new ATOM 0 HB2 CYS A 25 4.076 -26.355 -10.890 1.00 53.25 H new ATOM 0 HB3 CYS A 25 2.479 -25.695 -10.598 1.00 53.25 H new ATOM 425 N TYR A 26 3.164 -25.277 -6.578 1.00 60.51 N ATOM 426 CA TYR A 26 2.463 -24.670 -5.456 1.00 72.34 C ATOM 427 C TYR A 26 2.888 -23.207 -5.336 1.00 32.13 C ATOM 428 O TYR A 26 3.854 -22.892 -4.645 1.00 40.54 O ATOM 429 CB TYR A 26 2.769 -25.496 -4.198 1.00 63.52 C ATOM 430 CG TYR A 26 2.052 -25.058 -2.935 1.00 53.03 C ATOM 431 CD1 TYR A 26 2.715 -24.259 -1.985 1.00 62.15 C ATOM 432 CD2 TYR A 26 0.774 -25.569 -2.642 1.00 34.22 C ATOM 433 CE1 TYR A 26 2.099 -23.959 -0.757 1.00 55.33 C ATOM 434 CE2 TYR A 26 0.181 -25.313 -1.394 1.00 24.23 C ATOM 435 CZ TYR A 26 0.827 -24.483 -0.464 1.00 23.33 C ATOM 436 OH TYR A 26 0.216 -24.190 0.722 1.00 64.34 O ATOM 0 H TYR A 26 4.054 -25.693 -6.303 1.00 60.51 H new ATOM 0 HA TYR A 26 1.382 -24.673 -5.599 1.00 72.34 H new ATOM 0 HB2 TYR A 26 2.513 -26.537 -4.397 1.00 63.52 H new ATOM 0 HB3 TYR A 26 3.843 -25.462 -4.015 1.00 63.52 H new ATOM 0 HD1 TYR A 26 3.701 -23.875 -2.200 1.00 62.15 H new ATOM 0 HD2 TYR A 26 0.248 -26.159 -3.378 1.00 34.22 H new ATOM 0 HE1 TYR A 26 2.602 -23.327 -0.040 1.00 55.33 H new ATOM 0 HE2 TYR A 26 -0.773 -25.756 -1.150 1.00 24.23 H new ATOM 0 HH TYR A 26 -0.722 -23.958 0.558 1.00 64.34 H new ATOM 446 N VAL A 27 2.178 -22.313 -6.036 1.00 53.21 N ATOM 447 CA VAL A 27 2.564 -20.914 -6.140 1.00 53.44 C ATOM 448 C VAL A 27 1.834 -20.111 -5.067 1.00 74.43 C ATOM 449 O VAL A 27 0.622 -19.924 -5.156 1.00 31.30 O ATOM 450 CB VAL A 27 2.282 -20.377 -7.551 1.00 43.04 C ATOM 451 CG1 VAL A 27 2.863 -18.964 -7.658 1.00 20.21 C ATOM 452 CG2 VAL A 27 2.944 -21.253 -8.623 1.00 14.40 C ATOM 0 H VAL A 27 1.323 -22.546 -6.542 1.00 53.21 H new ATOM 0 HA VAL A 27 3.637 -20.815 -5.973 1.00 53.44 H new ATOM 0 HB VAL A 27 1.204 -20.379 -7.714 1.00 43.04 H new ATOM 0 HG11 VAL A 27 2.672 -18.566 -8.655 1.00 20.21 H new ATOM 0 HG12 VAL A 27 2.393 -18.320 -6.914 1.00 20.21 H new ATOM 0 HG13 VAL A 27 3.938 -18.998 -7.481 1.00 20.21 H new ATOM 0 HG21 VAL A 27 2.726 -20.847 -9.611 1.00 14.40 H new ATOM 0 HG22 VAL A 27 4.023 -21.267 -8.466 1.00 14.40 H new ATOM 0 HG23 VAL A 27 2.554 -22.269 -8.554 1.00 14.40 H new ATOM 462 N SER A 28 2.576 -19.665 -4.046 1.00 41.04 N ATOM 463 CA SER A 28 2.020 -19.043 -2.853 1.00 14.40 C ATOM 464 C SER A 28 2.275 -17.534 -2.808 1.00 32.14 C ATOM 465 O SER A 28 3.378 -17.072 -3.094 1.00 0.41 O ATOM 466 CB SER A 28 2.590 -19.755 -1.620 1.00 74.51 C ATOM 467 OG SER A 28 4.002 -19.784 -1.659 1.00 5.43 O ATOM 0 H SER A 28 3.594 -19.730 -4.032 1.00 41.04 H new ATOM 0 HA SER A 28 0.936 -19.154 -2.869 1.00 14.40 H new ATOM 0 HB2 SER A 28 2.258 -19.245 -0.716 1.00 74.51 H new ATOM 0 HB3 SER A 28 2.203 -20.773 -1.572 1.00 74.51 H new ATOM 0 HG SER A 28 4.316 -20.690 -1.459 1.00 5.43 H new ATOM 473 N GLY A 29 1.247 -16.777 -2.399 1.00 51.21 N ATOM 474 CA GLY A 29 1.361 -15.379 -2.012 1.00 72.41 C ATOM 475 C GLY A 29 1.608 -14.433 -3.187 1.00 52.44 C ATOM 476 O GLY A 29 2.432 -13.527 -3.072 1.00 52.02 O ATOM 0 H GLY A 29 0.295 -17.136 -2.329 1.00 51.21 H new ATOM 0 HA2 GLY A 29 0.447 -15.077 -1.500 1.00 72.41 H new ATOM 0 HA3 GLY A 29 2.176 -15.275 -1.296 1.00 72.41 H new ATOM 480 N PHE A 30 0.879 -14.616 -4.294 1.00 2.11 N ATOM 481 CA PHE A 30 0.938 -13.736 -5.456 1.00 15.01 C ATOM 482 C PHE A 30 -0.110 -12.635 -5.321 1.00 31.31 C ATOM 483 O PHE A 30 -1.261 -12.798 -5.716 1.00 53.53 O ATOM 484 CB PHE A 30 0.795 -14.535 -6.756 1.00 71.53 C ATOM 485 CG PHE A 30 -0.389 -15.481 -6.847 1.00 22.31 C ATOM 486 CD1 PHE A 30 -1.574 -15.082 -7.497 1.00 23.15 C ATOM 487 CD2 PHE A 30 -0.313 -16.758 -6.261 1.00 31.20 C ATOM 488 CE1 PHE A 30 -2.714 -15.900 -7.443 1.00 1.23 C ATOM 489 CE2 PHE A 30 -1.445 -17.586 -6.237 1.00 20.12 C ATOM 490 CZ PHE A 30 -2.656 -17.139 -6.786 1.00 51.23 C ATOM 0 H PHE A 30 0.225 -15.391 -4.405 1.00 2.11 H new ATOM 0 HA PHE A 30 1.916 -13.256 -5.500 1.00 15.01 H new ATOM 0 HB2 PHE A 30 0.731 -13.829 -7.584 1.00 71.53 H new ATOM 0 HB3 PHE A 30 1.706 -15.115 -6.901 1.00 71.53 H new ATOM 0 HD1 PHE A 30 -1.605 -14.147 -8.037 1.00 23.15 H new ATOM 0 HD2 PHE A 30 0.616 -17.100 -5.830 1.00 31.20 H new ATOM 0 HE1 PHE A 30 -3.634 -15.576 -7.906 1.00 1.23 H new ATOM 0 HE2 PHE A 30 -1.384 -18.570 -5.795 1.00 20.12 H new ATOM 0 HZ PHE A 30 -3.544 -17.748 -6.703 1.00 51.23 H new ATOM 500 N HIS A 31 0.307 -11.501 -4.755 1.00 23.24 N ATOM 501 CA HIS A 31 -0.548 -10.330 -4.603 1.00 42.04 C ATOM 502 C HIS A 31 -0.402 -9.431 -5.835 1.00 15.34 C ATOM 503 O HIS A 31 0.726 -9.076 -6.177 1.00 0.01 O ATOM 504 CB HIS A 31 -0.205 -9.560 -3.323 1.00 3.00 C ATOM 505 CG HIS A 31 -0.719 -10.227 -2.075 1.00 52.23 C ATOM 506 ND1 HIS A 31 -1.600 -9.596 -1.211 1.00 2.10 N ATOM 507 CD2 HIS A 31 -0.528 -11.479 -1.544 1.00 23.34 C ATOM 508 CE1 HIS A 31 -1.869 -10.457 -0.217 1.00 23.51 C ATOM 509 NE2 HIS A 31 -1.235 -11.623 -0.355 1.00 64.41 N ATOM 0 H HIS A 31 1.250 -11.372 -4.389 1.00 23.24 H new ATOM 0 HA HIS A 31 -1.584 -10.657 -4.519 1.00 42.04 H new ATOM 0 HB2 HIS A 31 0.877 -9.452 -3.250 1.00 3.00 H new ATOM 0 HB3 HIS A 31 -0.622 -8.555 -3.388 1.00 3.00 H new ATOM 0 HD1 HIS A 31 -1.974 -8.653 -1.312 1.00 2.10 H new ATOM 0 HD2 HIS A 31 0.087 -12.247 -1.989 1.00 23.34 H new ATOM 0 HE1 HIS A 31 -2.529 -10.230 0.607 1.00 23.51 H new ATOM 517 N PRO A 32 -1.502 -9.031 -6.498 1.00 22.55 N ATOM 518 CA PRO A 32 -2.878 -9.191 -6.053 1.00 45.33 C ATOM 519 C PRO A 32 -3.462 -10.559 -6.419 1.00 31.34 C ATOM 520 O PRO A 32 -3.950 -11.249 -5.530 1.00 72.55 O ATOM 521 CB PRO A 32 -3.648 -8.039 -6.701 1.00 1.33 C ATOM 522 CG PRO A 32 -2.883 -7.770 -7.997 1.00 42.53 C ATOM 523 CD PRO A 32 -1.439 -8.140 -7.646 1.00 11.23 C ATOM 0 HA PRO A 32 -2.947 -9.157 -4.966 1.00 45.33 H new ATOM 0 HB2 PRO A 32 -4.685 -8.312 -6.898 1.00 1.33 H new ATOM 0 HB3 PRO A 32 -3.667 -7.159 -6.058 1.00 1.33 H new ATOM 0 HG2 PRO A 32 -3.263 -8.375 -8.820 1.00 42.53 H new ATOM 0 HG3 PRO A 32 -2.967 -6.727 -8.303 1.00 42.53 H new ATOM 0 HD2 PRO A 32 -0.949 -8.629 -8.488 1.00 11.23 H new ATOM 0 HD3 PRO A 32 -0.857 -7.248 -7.412 1.00 11.23 H new ATOM 531 N SER A 33 -3.460 -10.948 -7.702 1.00 51.35 N ATOM 532 CA SER A 33 -4.245 -12.098 -8.149 1.00 44.22 C ATOM 533 C SER A 33 -3.921 -12.571 -9.568 1.00 74.31 C ATOM 534 O SER A 33 -3.953 -13.777 -9.802 1.00 63.23 O ATOM 535 CB SER A 33 -5.746 -11.780 -8.051 1.00 11.24 C ATOM 536 OG SER A 33 -6.065 -10.618 -8.787 1.00 32.44 O ATOM 0 H SER A 33 -2.928 -10.486 -8.439 1.00 51.35 H new ATOM 0 HA SER A 33 -3.973 -12.916 -7.482 1.00 44.22 H new ATOM 0 HB2 SER A 33 -6.326 -12.623 -8.426 1.00 11.24 H new ATOM 0 HB3 SER A 33 -6.025 -11.641 -7.006 1.00 11.24 H new ATOM 0 HG SER A 33 -7.025 -10.436 -8.712 1.00 32.44 H new ATOM 542 N ASP A 34 -3.698 -11.648 -10.515 1.00 40.23 N ATOM 543 CA ASP A 34 -3.748 -11.915 -11.951 1.00 24.45 C ATOM 544 C ASP A 34 -2.529 -12.701 -12.449 1.00 4.32 C ATOM 545 O ASP A 34 -1.663 -12.150 -13.127 1.00 52.43 O ATOM 546 CB ASP A 34 -3.906 -10.582 -12.699 1.00 62.34 C ATOM 547 CG ASP A 34 -5.127 -9.792 -12.225 1.00 41.32 C ATOM 548 OD1 ASP A 34 -4.948 -8.975 -11.294 1.00 11.33 O ATOM 549 OD2 ASP A 34 -6.214 -10.023 -12.798 1.00 52.25 O ATOM 0 H ASP A 34 -3.474 -10.678 -10.295 1.00 40.23 H new ATOM 0 HA ASP A 34 -4.609 -12.552 -12.154 1.00 24.45 H new ATOM 0 HB2 ASP A 34 -3.009 -9.980 -12.557 1.00 62.34 H new ATOM 0 HB3 ASP A 34 -3.994 -10.776 -13.768 1.00 62.34 H new ATOM 554 N ILE A 35 -2.476 -13.997 -12.115 1.00 32.12 N ATOM 555 CA ILE A 35 -1.387 -14.907 -12.440 1.00 4.22 C ATOM 556 C ILE A 35 -1.764 -15.762 -13.653 1.00 14.52 C ATOM 557 O ILE A 35 -2.940 -16.055 -13.868 1.00 73.31 O ATOM 558 CB ILE A 35 -1.015 -15.758 -11.204 1.00 31.32 C ATOM 559 CG1 ILE A 35 0.340 -16.445 -11.436 1.00 43.32 C ATOM 560 CG2 ILE A 35 -2.110 -16.778 -10.850 1.00 34.30 C ATOM 561 CD1 ILE A 35 0.878 -17.161 -10.198 1.00 11.41 C ATOM 0 H ILE A 35 -3.224 -14.451 -11.590 1.00 32.12 H new ATOM 0 HA ILE A 35 -0.499 -14.337 -12.712 1.00 4.22 H new ATOM 0 HB ILE A 35 -0.930 -15.091 -10.346 1.00 31.32 H new ATOM 0 HG12 ILE A 35 0.239 -17.165 -12.248 1.00 43.32 H new ATOM 0 HG13 ILE A 35 1.066 -15.699 -11.760 1.00 43.32 H new ATOM 0 HG21 ILE A 35 -1.804 -17.352 -9.976 1.00 34.30 H new ATOM 0 HG22 ILE A 35 -3.040 -16.253 -10.632 1.00 34.30 H new ATOM 0 HG23 ILE A 35 -2.264 -17.453 -11.692 1.00 34.30 H new ATOM 0 HD11 ILE A 35 1.837 -17.623 -10.433 1.00 11.41 H new ATOM 0 HD12 ILE A 35 1.011 -16.441 -9.390 1.00 11.41 H new ATOM 0 HD13 ILE A 35 0.171 -17.930 -9.886 1.00 11.41 H new ATOM 573 N GLU A 36 -0.756 -16.151 -14.442 1.00 74.33 N ATOM 574 CA GLU A 36 -0.895 -16.951 -15.648 1.00 63.13 C ATOM 575 C GLU A 36 0.117 -18.093 -15.569 1.00 61.33 C ATOM 576 O GLU A 36 1.224 -17.997 -16.100 1.00 63.34 O ATOM 577 CB GLU A 36 -0.643 -16.071 -16.873 1.00 42.23 C ATOM 578 CG GLU A 36 -1.623 -14.895 -16.972 1.00 62.41 C ATOM 579 CD GLU A 36 -1.347 -14.057 -18.217 1.00 42.25 C ATOM 580 OE1 GLU A 36 -2.142 -14.174 -19.175 1.00 60.33 O ATOM 581 OE2 GLU A 36 -0.338 -13.317 -18.191 1.00 43.12 O ATOM 0 H GLU A 36 0.213 -15.904 -14.244 1.00 74.33 H new ATOM 0 HA GLU A 36 -1.900 -17.363 -15.735 1.00 63.13 H new ATOM 0 HB2 GLU A 36 0.376 -15.686 -16.835 1.00 42.23 H new ATOM 0 HB3 GLU A 36 -0.721 -16.680 -17.774 1.00 42.23 H new ATOM 0 HG2 GLU A 36 -2.646 -15.271 -17.001 1.00 62.41 H new ATOM 0 HG3 GLU A 36 -1.538 -14.270 -16.083 1.00 62.41 H new ATOM 588 N VAL A 37 -0.274 -19.173 -14.885 1.00 15.31 N ATOM 589 CA VAL A 37 0.568 -20.343 -14.679 1.00 0.13 C ATOM 590 C VAL A 37 0.381 -21.308 -15.848 1.00 24.40 C ATOM 591 O VAL A 37 -0.353 -22.291 -15.752 1.00 32.32 O ATOM 592 CB VAL A 37 0.292 -21.003 -13.321 1.00 52.11 C ATOM 593 CG1 VAL A 37 1.346 -22.077 -13.029 1.00 11.54 C ATOM 594 CG2 VAL A 37 0.340 -19.966 -12.195 1.00 24.41 C ATOM 0 H VAL A 37 -1.196 -19.255 -14.456 1.00 15.31 H new ATOM 0 HA VAL A 37 1.614 -20.036 -14.653 1.00 0.13 H new ATOM 0 HB VAL A 37 -0.700 -21.452 -13.366 1.00 52.11 H new ATOM 0 HG11 VAL A 37 1.139 -22.537 -12.063 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.315 -22.839 -13.808 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.335 -21.620 -13.008 1.00 11.54 H new ATOM 0 HG21 VAL A 37 0.142 -20.455 -11.241 1.00 24.41 H new ATOM 0 HG22 VAL A 37 1.327 -19.504 -12.168 1.00 24.41 H new ATOM 0 HG23 VAL A 37 -0.414 -19.200 -12.374 1.00 24.41 H new ATOM 604 N ASP A 38 1.041 -20.991 -16.965 1.00 14.42 N ATOM 605 CA ASP A 38 0.817 -21.635 -18.250 1.00 51.52 C ATOM 606 C ASP A 38 1.898 -22.690 -18.487 1.00 61.44 C ATOM 607 O ASP A 38 2.722 -22.576 -19.394 1.00 60.32 O ATOM 608 CB ASP A 38 0.744 -20.560 -19.341 1.00 24.41 C ATOM 609 CG ASP A 38 0.172 -21.131 -20.632 1.00 0.33 C ATOM 610 OD1 ASP A 38 0.987 -21.558 -21.477 1.00 4.21 O ATOM 611 OD2 ASP A 38 -1.072 -21.137 -20.753 1.00 74.45 O ATOM 0 H ASP A 38 1.758 -20.266 -16.996 1.00 14.42 H new ATOM 0 HA ASP A 38 -0.135 -22.166 -18.270 1.00 51.52 H new ATOM 0 HB2 ASP A 38 0.124 -19.731 -18.999 1.00 24.41 H new ATOM 0 HB3 ASP A 38 1.740 -20.157 -19.527 1.00 24.41 H new ATOM 616 N LEU A 39 1.891 -23.708 -17.621 1.00 14.00 N ATOM 617 CA LEU A 39 2.885 -24.768 -17.548 1.00 41.11 C ATOM 618 C LEU A 39 2.937 -25.627 -18.804 1.00 25.13 C ATOM 619 O LEU A 39 1.923 -25.835 -19.471 1.00 51.21 O ATOM 620 CB LEU A 39 2.614 -25.626 -16.312 1.00 52.34 C ATOM 621 CG LEU A 39 1.243 -26.324 -16.382 1.00 61.42 C ATOM 622 CD1 LEU A 39 1.404 -27.793 -16.785 1.00 62.44 C ATOM 623 CD2 LEU A 39 0.551 -26.244 -15.017 1.00 44.12 C ATOM 0 H LEU A 39 1.156 -23.815 -16.922 1.00 14.00 H new ATOM 0 HA LEU A 39 3.865 -24.297 -17.469 1.00 41.11 H new ATOM 0 HB2 LEU A 39 3.398 -26.377 -16.213 1.00 52.34 H new ATOM 0 HB3 LEU A 39 2.657 -25.001 -15.420 1.00 52.34 H new ATOM 0 HG LEU A 39 0.636 -25.818 -17.133 1.00 61.42 H new ATOM 0 HD11 LEU A 39 0.424 -28.268 -16.829 1.00 62.44 H new ATOM 0 HD12 LEU A 39 1.880 -27.852 -17.764 1.00 62.44 H new ATOM 0 HD13 LEU A 39 2.023 -28.306 -16.049 1.00 62.44 H new ATOM 0 HD21 LEU A 39 -0.419 -26.739 -15.071 1.00 44.12 H new ATOM 0 HD22 LEU A 39 1.169 -26.737 -14.266 1.00 44.12 H new ATOM 0 HD23 LEU A 39 0.410 -25.199 -14.741 1.00 44.12 H new ATOM 635 N LEU A 40 4.145 -26.122 -19.094 1.00 61.14 N ATOM 636 CA LEU A 40 4.488 -26.835 -20.317 1.00 54.25 C ATOM 637 C LEU A 40 5.264 -28.117 -20.000 1.00 21.11 C ATOM 638 O LEU A 40 5.669 -28.348 -18.860 1.00 0.55 O ATOM 639 CB LEU A 40 5.362 -25.942 -21.219 1.00 2.03 C ATOM 640 CG LEU A 40 4.895 -24.487 -21.404 1.00 52.22 C ATOM 641 CD1 LEU A 40 5.942 -23.744 -22.240 1.00 54.33 C ATOM 642 CD2 LEU A 40 3.535 -24.386 -22.103 1.00 52.33 C ATOM 0 H LEU A 40 4.936 -26.031 -18.456 1.00 61.14 H new ATOM 0 HA LEU A 40 3.560 -27.092 -20.828 1.00 54.25 H new ATOM 0 HB2 LEU A 40 6.372 -25.927 -20.809 1.00 2.03 H new ATOM 0 HB3 LEU A 40 5.425 -26.408 -22.202 1.00 2.03 H new ATOM 0 HG LEU A 40 4.783 -24.044 -20.414 1.00 52.22 H new ATOM 0 HD11 LEU A 40 5.628 -22.710 -22.382 1.00 54.33 H new ATOM 0 HD12 LEU A 40 6.901 -23.764 -21.723 1.00 54.33 H new ATOM 0 HD13 LEU A 40 6.043 -24.229 -23.211 1.00 54.33 H new ATOM 0 HD21 LEU A 40 3.256 -23.337 -22.206 1.00 52.33 H new ATOM 0 HD22 LEU A 40 3.598 -24.844 -23.090 1.00 52.33 H new ATOM 0 HD23 LEU A 40 2.782 -24.905 -21.510 1.00 52.33 H new ATOM 654 N LYS A 41 5.521 -28.913 -21.045 1.00 71.22 N ATOM 655 CA LYS A 41 6.532 -29.957 -21.059 1.00 41.21 C ATOM 656 C LYS A 41 7.286 -29.887 -22.387 1.00 53.04 C ATOM 657 O LYS A 41 6.748 -30.244 -23.432 1.00 34.22 O ATOM 658 CB LYS A 41 5.934 -31.341 -20.764 1.00 15.21 C ATOM 659 CG LYS A 41 4.806 -31.812 -21.691 1.00 4.54 C ATOM 660 CD LYS A 41 4.280 -33.175 -21.214 1.00 25.11 C ATOM 661 CE LYS A 41 3.002 -33.618 -21.935 1.00 2.04 C ATOM 662 NZ LYS A 41 3.164 -33.627 -23.399 1.00 22.34 N ATOM 0 H LYS A 41 5.012 -28.840 -21.926 1.00 71.22 H new ATOM 0 HA LYS A 41 7.247 -29.792 -20.253 1.00 41.21 H new ATOM 0 HB2 LYS A 41 6.738 -32.076 -20.805 1.00 15.21 H new ATOM 0 HB3 LYS A 41 5.556 -31.338 -19.742 1.00 15.21 H new ATOM 0 HG2 LYS A 41 3.998 -31.081 -21.697 1.00 4.54 H new ATOM 0 HG3 LYS A 41 5.172 -31.890 -22.715 1.00 4.54 H new ATOM 0 HD2 LYS A 41 5.053 -33.928 -21.365 1.00 25.11 H new ATOM 0 HD3 LYS A 41 4.086 -33.127 -20.142 1.00 25.11 H new ATOM 0 HE2 LYS A 41 2.723 -34.616 -21.596 1.00 2.04 H new ATOM 0 HE3 LYS A 41 2.184 -32.949 -21.666 1.00 2.04 H new ATOM 0 HZ1 LYS A 41 2.319 -34.044 -23.839 1.00 22.34 H new ATOM 0 HZ2 LYS A 41 3.287 -32.652 -23.741 1.00 22.34 H new ATOM 0 HZ3 LYS A 41 4.000 -34.191 -23.652 1.00 22.34 H new ATOM 676 N ASN A 42 8.527 -29.387 -22.338 1.00 53.44 N ATOM 677 CA ASN A 42 9.405 -29.220 -23.486 1.00 71.33 C ATOM 678 C ASN A 42 8.697 -28.431 -24.594 1.00 73.31 C ATOM 679 O ASN A 42 8.656 -28.860 -25.745 1.00 54.54 O ATOM 680 CB ASN A 42 9.920 -30.599 -23.937 1.00 51.02 C ATOM 681 CG ASN A 42 11.087 -30.523 -24.922 1.00 53.11 C ATOM 682 OD1 ASN A 42 11.688 -29.467 -25.116 1.00 75.35 O ATOM 683 ND2 ASN A 42 11.418 -31.656 -25.545 1.00 73.41 N ATOM 0 H ASN A 42 8.955 -29.079 -21.465 1.00 53.44 H new ATOM 0 HA ASN A 42 10.279 -28.627 -23.215 1.00 71.33 H new ATOM 0 HB2 ASN A 42 10.232 -31.166 -23.060 1.00 51.02 H new ATOM 0 HB3 ASN A 42 9.101 -31.151 -24.398 1.00 51.02 H new ATOM 0 HD21 ASN A 42 12.193 -31.666 -26.208 1.00 73.41 H new ATOM 0 HD22 ASN A 42 10.896 -32.512 -25.358 1.00 73.41 H new ATOM 690 N GLY A 43 8.111 -27.284 -24.223 1.00 11.04 N ATOM 691 CA GLY A 43 7.367 -26.413 -25.122 1.00 22.21 C ATOM 692 C GLY A 43 5.863 -26.713 -25.135 1.00 40.13 C ATOM 693 O GLY A 43 5.069 -25.794 -25.322 1.00 72.34 O ATOM 0 H GLY A 43 8.146 -26.935 -23.265 1.00 11.04 H new ATOM 0 HA2 GLY A 43 7.523 -25.376 -24.826 1.00 22.21 H new ATOM 0 HA3 GLY A 43 7.762 -26.519 -26.132 1.00 22.21 H new ATOM 697 N GLU A 44 5.462 -27.981 -24.961 1.00 65.22 N ATOM 698 CA GLU A 44 4.095 -28.424 -25.202 1.00 43.31 C ATOM 699 C GLU A 44 3.195 -28.130 -24.000 1.00 14.04 C ATOM 700 O GLU A 44 3.381 -28.710 -22.933 1.00 34.13 O ATOM 701 CB GLU A 44 4.078 -29.925 -25.529 1.00 44.53 C ATOM 702 CG GLU A 44 5.027 -30.319 -26.670 1.00 41.14 C ATOM 703 CD GLU A 44 4.724 -29.562 -27.960 1.00 45.01 C ATOM 704 OE1 GLU A 44 3.802 -30.009 -28.676 1.00 43.04 O ATOM 705 OE2 GLU A 44 5.414 -28.548 -28.204 1.00 43.34 O ATOM 0 H GLU A 44 6.085 -28.725 -24.648 1.00 65.22 H new ATOM 0 HA GLU A 44 3.704 -27.869 -26.054 1.00 43.31 H new ATOM 0 HB2 GLU A 44 4.348 -30.486 -24.634 1.00 44.53 H new ATOM 0 HB3 GLU A 44 3.063 -30.218 -25.795 1.00 44.53 H new ATOM 0 HG2 GLU A 44 6.056 -30.122 -26.369 1.00 41.14 H new ATOM 0 HG3 GLU A 44 4.948 -31.391 -26.853 1.00 41.14 H new ATOM 712 N ARG A 45 2.195 -27.259 -24.190 1.00 64.42 N ATOM 713 CA ARG A 45 1.173 -26.966 -23.194 1.00 2.00 C ATOM 714 C ARG A 45 0.321 -28.211 -22.946 1.00 35.45 C ATOM 715 O ARG A 45 -0.152 -28.838 -23.893 1.00 75.34 O ATOM 716 CB ARG A 45 0.326 -25.779 -23.671 1.00 53.33 C ATOM 717 CG ARG A 45 -0.737 -25.377 -22.639 1.00 35.51 C ATOM 718 CD ARG A 45 -1.585 -24.215 -23.163 1.00 71.52 C ATOM 719 NE ARG A 45 -0.812 -22.968 -23.252 1.00 12.53 N ATOM 720 CZ ARG A 45 -1.061 -21.943 -24.085 1.00 4.22 C ATOM 721 NH1 ARG A 45 -1.990 -22.033 -25.048 1.00 33.20 N ATOM 722 NH2 ARG A 45 -0.369 -20.803 -23.948 1.00 62.13 N ATOM 0 H ARG A 45 2.078 -26.733 -25.056 1.00 64.42 H new ATOM 0 HA ARG A 45 1.637 -26.691 -22.247 1.00 2.00 H new ATOM 0 HB2 ARG A 45 0.976 -24.928 -23.872 1.00 53.33 H new ATOM 0 HB3 ARG A 45 -0.161 -26.036 -24.611 1.00 53.33 H new ATOM 0 HG2 ARG A 45 -1.378 -26.231 -22.417 1.00 35.51 H new ATOM 0 HG3 ARG A 45 -0.254 -25.090 -21.705 1.00 35.51 H new ATOM 0 HD2 ARG A 45 -1.979 -24.468 -24.147 1.00 71.52 H new ATOM 0 HD3 ARG A 45 -2.441 -24.065 -22.505 1.00 71.52 H new ATOM 0 HE ARG A 45 -0.014 -22.872 -22.624 1.00 12.53 H new ATOM 0 HH11 ARG A 45 -2.526 -22.893 -25.161 1.00 33.20 H new ATOM 0 HH12 ARG A 45 -2.161 -21.241 -25.668 1.00 33.20 H new ATOM 0 HH21 ARG A 45 0.338 -20.720 -23.217 1.00 62.13 H new ATOM 0 HH22 ARG A 45 -0.549 -20.018 -24.574 1.00 62.13 H new ATOM 736 N ILE A 46 0.147 -28.574 -21.669 1.00 42.44 N ATOM 737 CA ILE A 46 -0.553 -29.782 -21.259 1.00 11.04 C ATOM 738 C ILE A 46 -2.035 -29.455 -21.090 1.00 53.41 C ATOM 739 O ILE A 46 -2.384 -28.572 -20.308 1.00 75.43 O ATOM 740 CB ILE A 46 0.055 -30.348 -19.960 1.00 0.40 C ATOM 741 CG1 ILE A 46 1.591 -30.376 -20.061 1.00 43.11 C ATOM 742 CG2 ILE A 46 -0.529 -31.751 -19.722 1.00 53.33 C ATOM 743 CD1 ILE A 46 2.270 -31.056 -18.873 1.00 55.21 C ATOM 0 H ILE A 46 0.497 -28.023 -20.885 1.00 42.44 H new ATOM 0 HA ILE A 46 -0.445 -30.552 -22.023 1.00 11.04 H new ATOM 0 HB ILE A 46 -0.197 -29.713 -19.111 1.00 0.40 H new ATOM 0 HG12 ILE A 46 1.877 -30.893 -20.977 1.00 43.11 H new ATOM 0 HG13 ILE A 46 1.960 -29.354 -20.143 1.00 43.11 H new ATOM 0 HG21 ILE A 46 -0.110 -32.169 -18.806 1.00 53.33 H new ATOM 0 HG22 ILE A 46 -1.613 -31.683 -19.627 1.00 53.33 H new ATOM 0 HG23 ILE A 46 -0.278 -32.397 -20.563 1.00 53.33 H new ATOM 0 HD11 ILE A 46 3.351 -31.039 -19.013 1.00 55.21 H new ATOM 0 HD12 ILE A 46 2.014 -30.526 -17.955 1.00 55.21 H new ATOM 0 HD13 ILE A 46 1.930 -32.089 -18.802 1.00 55.21 H new ATOM 755 N GLU A 47 -2.902 -30.171 -21.818 1.00 4.34 N ATOM 756 CA GLU A 47 -4.340 -29.934 -21.818 1.00 24.24 C ATOM 757 C GLU A 47 -5.020 -30.786 -20.740 1.00 1.31 C ATOM 758 O GLU A 47 -6.012 -31.464 -21.004 1.00 54.41 O ATOM 759 CB GLU A 47 -4.907 -30.180 -23.225 1.00 0.34 C ATOM 760 CG GLU A 47 -4.385 -29.146 -24.235 1.00 61.33 C ATOM 761 CD GLU A 47 -4.990 -29.372 -25.616 1.00 33.23 C ATOM 762 OE1 GLU A 47 -5.942 -28.634 -25.950 1.00 55.51 O ATOM 763 OE2 GLU A 47 -4.490 -30.281 -26.314 1.00 3.44 O ATOM 0 H GLU A 47 -2.616 -30.937 -22.427 1.00 4.34 H new ATOM 0 HA GLU A 47 -4.546 -28.894 -21.566 1.00 24.24 H new ATOM 0 HB2 GLU A 47 -4.636 -31.182 -23.557 1.00 0.34 H new ATOM 0 HB3 GLU A 47 -5.996 -30.139 -23.191 1.00 0.34 H new ATOM 0 HG2 GLU A 47 -4.627 -28.141 -23.889 1.00 61.33 H new ATOM 0 HG3 GLU A 47 -3.299 -29.209 -24.296 1.00 61.33 H new ATOM 770 N LYS A 48 -4.492 -30.714 -19.510 1.00 31.54 N ATOM 771 CA LYS A 48 -5.106 -31.264 -18.310 1.00 0.01 C ATOM 772 C LYS A 48 -4.483 -30.567 -17.100 1.00 13.30 C ATOM 773 O LYS A 48 -3.747 -31.173 -16.321 1.00 72.53 O ATOM 774 CB LYS A 48 -4.967 -32.795 -18.250 1.00 32.23 C ATOM 775 CG LYS A 48 -5.861 -33.349 -17.131 1.00 43.44 C ATOM 776 CD LYS A 48 -5.839 -34.877 -17.046 1.00 23.50 C ATOM 777 CE LYS A 48 -4.482 -35.415 -16.581 1.00 52.31 C ATOM 778 NZ LYS A 48 -4.592 -36.832 -16.204 1.00 60.54 N ATOM 0 H LYS A 48 -3.599 -30.256 -19.325 1.00 31.54 H new ATOM 0 HA LYS A 48 -6.180 -31.075 -18.317 1.00 0.01 H new ATOM 0 HB2 LYS A 48 -5.250 -33.234 -19.207 1.00 32.23 H new ATOM 0 HB3 LYS A 48 -3.928 -33.069 -18.069 1.00 32.23 H new ATOM 0 HG2 LYS A 48 -5.538 -32.933 -16.177 1.00 43.44 H new ATOM 0 HG3 LYS A 48 -6.886 -33.015 -17.294 1.00 43.44 H new ATOM 0 HD2 LYS A 48 -6.615 -35.211 -16.357 1.00 23.50 H new ATOM 0 HD3 LYS A 48 -6.078 -35.296 -18.023 1.00 23.50 H new ATOM 0 HE2 LYS A 48 -3.746 -35.300 -17.377 1.00 52.31 H new ATOM 0 HE3 LYS A 48 -4.125 -34.833 -15.731 1.00 52.31 H new ATOM 0 HZ1 LYS A 48 -3.681 -37.163 -15.827 1.00 60.54 H new ATOM 0 HZ2 LYS A 48 -5.327 -36.942 -15.477 1.00 60.54 H new ATOM 0 HZ3 LYS A 48 -4.846 -37.395 -17.041 1.00 60.54 H new ATOM 792 N VAL A 49 -4.785 -29.273 -16.959 1.00 3.25 N ATOM 793 CA VAL A 49 -4.363 -28.465 -15.829 1.00 35.13 C ATOM 794 C VAL A 49 -5.380 -28.675 -14.708 1.00 54.05 C ATOM 795 O VAL A 49 -6.556 -28.351 -14.869 1.00 5.41 O ATOM 796 CB VAL A 49 -4.280 -26.986 -16.238 1.00 24.21 C ATOM 797 CG1 VAL A 49 -3.721 -26.141 -15.090 1.00 24.43 C ATOM 798 CG2 VAL A 49 -3.397 -26.788 -17.478 1.00 62.31 C ATOM 0 H VAL A 49 -5.339 -28.756 -17.642 1.00 3.25 H new ATOM 0 HA VAL A 49 -3.371 -28.760 -15.487 1.00 35.13 H new ATOM 0 HB VAL A 49 -5.294 -26.664 -16.476 1.00 24.21 H new ATOM 0 HG11 VAL A 49 -3.670 -25.097 -15.398 1.00 24.43 H new ATOM 0 HG12 VAL A 49 -4.373 -26.231 -14.221 1.00 24.43 H new ATOM 0 HG13 VAL A 49 -2.722 -26.493 -14.832 1.00 24.43 H new ATOM 0 HG21 VAL A 49 -3.364 -25.729 -17.736 1.00 62.31 H new ATOM 0 HG22 VAL A 49 -2.388 -27.142 -17.267 1.00 62.31 H new ATOM 0 HG23 VAL A 49 -3.812 -27.352 -18.314 1.00 62.31 H new ATOM 808 N GLU A 50 -4.917 -29.218 -13.579 1.00 1.20 N ATOM 809 CA GLU A 50 -5.714 -29.448 -12.382 1.00 62.41 C ATOM 810 C GLU A 50 -5.183 -28.516 -11.302 1.00 31.41 C ATOM 811 O GLU A 50 -3.977 -28.295 -11.229 1.00 60.22 O ATOM 812 CB GLU A 50 -5.590 -30.907 -11.933 1.00 31.31 C ATOM 813 CG GLU A 50 -6.038 -31.902 -13.008 1.00 33.21 C ATOM 814 CD GLU A 50 -5.802 -33.341 -12.555 1.00 55.13 C ATOM 815 OE1 GLU A 50 -6.412 -33.726 -11.533 1.00 44.31 O ATOM 816 OE2 GLU A 50 -5.017 -34.030 -13.240 1.00 45.01 O ATOM 0 H GLU A 50 -3.947 -29.517 -13.475 1.00 1.20 H new ATOM 0 HA GLU A 50 -6.768 -29.251 -12.577 1.00 62.41 H new ATOM 0 HB2 GLU A 50 -4.554 -31.112 -11.664 1.00 31.31 H new ATOM 0 HB3 GLU A 50 -6.188 -31.057 -11.034 1.00 31.31 H new ATOM 0 HG2 GLU A 50 -7.096 -31.755 -13.227 1.00 33.21 H new ATOM 0 HG3 GLU A 50 -5.492 -31.714 -13.933 1.00 33.21 H new ATOM 823 N HIS A 51 -6.074 -27.941 -10.489 1.00 71.14 N ATOM 824 CA HIS A 51 -5.697 -26.892 -9.555 1.00 44.24 C ATOM 825 C HIS A 51 -6.727 -26.741 -8.438 1.00 63.52 C ATOM 826 O HIS A 51 -7.860 -27.204 -8.559 1.00 15.24 O ATOM 827 CB HIS A 51 -5.498 -25.576 -10.320 1.00 13.20 C ATOM 828 CG HIS A 51 -6.655 -25.212 -11.213 1.00 44.31 C ATOM 829 ND1 HIS A 51 -6.695 -25.561 -12.554 1.00 4.41 N ATOM 830 CD2 HIS A 51 -7.837 -24.556 -10.974 1.00 13.33 C ATOM 831 CE1 HIS A 51 -7.860 -25.110 -13.049 1.00 5.10 C ATOM 832 NE2 HIS A 51 -8.605 -24.488 -12.132 1.00 32.31 N ATOM 0 H HIS A 51 -7.063 -28.190 -10.464 1.00 71.14 H new ATOM 0 HA HIS A 51 -4.757 -27.167 -9.077 1.00 44.24 H new ATOM 0 HB2 HIS A 51 -5.337 -24.771 -9.603 1.00 13.20 H new ATOM 0 HB3 HIS A 51 -4.594 -25.651 -10.924 1.00 13.20 H new ATOM 0 HD2 HIS A 51 -8.131 -24.148 -10.018 1.00 13.33 H new ATOM 0 HE1 HIS A 51 -8.161 -25.237 -14.078 1.00 5.10 H new ATOM 0 HE2 HIS A 51 -9.524 -24.062 -12.253 1.00 32.31 H new ATOM 840 N SER A 52 -6.306 -26.098 -7.342 1.00 33.30 N ATOM 841 CA SER A 52 -7.098 -25.937 -6.129 1.00 11.14 C ATOM 842 C SER A 52 -8.076 -24.756 -6.211 1.00 73.11 C ATOM 843 O SER A 52 -8.980 -24.674 -5.381 1.00 64.25 O ATOM 844 CB SER A 52 -6.155 -25.791 -4.931 1.00 53.33 C ATOM 845 OG SER A 52 -5.395 -26.969 -4.760 1.00 52.12 O ATOM 0 H SER A 52 -5.383 -25.668 -7.278 1.00 33.30 H new ATOM 0 HA SER A 52 -7.715 -26.827 -6.007 1.00 11.14 H new ATOM 0 HB2 SER A 52 -5.491 -24.940 -5.084 1.00 53.33 H new ATOM 0 HB3 SER A 52 -6.731 -25.587 -4.028 1.00 53.33 H new ATOM 0 HG SER A 52 -4.795 -26.863 -3.992 1.00 52.12 H new ATOM 851 N ASP A 53 -7.909 -23.863 -7.198 1.00 5.00 N ATOM 852 CA ASP A 53 -8.799 -22.744 -7.491 1.00 21.23 C ATOM 853 C ASP A 53 -8.810 -21.714 -6.357 1.00 20.10 C ATOM 854 O ASP A 53 -9.691 -21.738 -5.499 1.00 44.41 O ATOM 855 CB ASP A 53 -10.205 -23.239 -7.867 1.00 65.14 C ATOM 856 CG ASP A 53 -11.078 -22.100 -8.388 1.00 32.44 C ATOM 857 OD1 ASP A 53 -12.079 -21.786 -7.708 1.00 64.24 O ATOM 858 OD2 ASP A 53 -10.727 -21.559 -9.460 1.00 34.23 O ATOM 0 H ASP A 53 -7.115 -23.908 -7.837 1.00 5.00 H new ATOM 0 HA ASP A 53 -8.408 -22.222 -8.364 1.00 21.23 H new ATOM 0 HB2 ASP A 53 -10.127 -24.016 -8.627 1.00 65.14 H new ATOM 0 HB3 ASP A 53 -10.678 -23.692 -6.995 1.00 65.14 H new ATOM 863 N LEU A 54 -7.823 -20.807 -6.392 1.00 3.55 N ATOM 864 CA LEU A 54 -7.611 -19.681 -5.485 1.00 32.14 C ATOM 865 C LEU A 54 -7.978 -20.007 -4.033 1.00 52.44 C ATOM 866 O LEU A 54 -9.026 -19.587 -3.544 1.00 44.11 O ATOM 867 CB LEU A 54 -8.351 -18.443 -6.015 1.00 44.24 C ATOM 868 CG LEU A 54 -7.870 -17.159 -5.316 1.00 44.05 C ATOM 869 CD1 LEU A 54 -6.579 -16.635 -5.959 1.00 72.34 C ATOM 870 CD2 LEU A 54 -8.947 -16.073 -5.412 1.00 33.51 C ATOM 0 H LEU A 54 -7.101 -20.849 -7.111 1.00 3.55 H new ATOM 0 HA LEU A 54 -6.543 -19.462 -5.462 1.00 32.14 H new ATOM 0 HB2 LEU A 54 -8.193 -18.355 -7.090 1.00 44.24 H new ATOM 0 HB3 LEU A 54 -9.423 -18.564 -5.860 1.00 44.24 H new ATOM 0 HG LEU A 54 -7.676 -17.400 -4.271 1.00 44.05 H new ATOM 0 HD11 LEU A 54 -6.260 -15.727 -5.447 1.00 72.34 H new ATOM 0 HD12 LEU A 54 -5.799 -17.391 -5.877 1.00 72.34 H new ATOM 0 HD13 LEU A 54 -6.760 -16.414 -7.011 1.00 72.34 H new ATOM 0 HD21 LEU A 54 -8.597 -15.169 -4.914 1.00 33.51 H new ATOM 0 HD22 LEU A 54 -9.151 -15.855 -6.460 1.00 33.51 H new ATOM 0 HD23 LEU A 54 -9.860 -16.422 -4.930 1.00 33.51 H new ATOM 882 N SER A 55 -7.109 -20.755 -3.347 1.00 20.24 N ATOM 883 CA SER A 55 -7.365 -21.227 -1.993 1.00 23.10 C ATOM 884 C SER A 55 -6.797 -20.255 -0.961 1.00 74.34 C ATOM 885 O SER A 55 -5.696 -19.729 -1.128 1.00 61.42 O ATOM 886 CB SER A 55 -6.796 -22.632 -1.801 1.00 62.41 C ATOM 887 OG SER A 55 -7.402 -23.516 -2.715 1.00 11.24 O ATOM 0 H SER A 55 -6.207 -21.048 -3.721 1.00 20.24 H new ATOM 0 HA SER A 55 -8.444 -21.275 -1.843 1.00 23.10 H new ATOM 0 HB2 SER A 55 -5.716 -22.622 -1.951 1.00 62.41 H new ATOM 0 HB3 SER A 55 -6.973 -22.971 -0.780 1.00 62.41 H new ATOM 0 HG SER A 55 -7.434 -24.416 -2.328 1.00 11.24 H new ATOM 893 N PHE A 56 -7.578 -20.021 0.099 1.00 4.13 N ATOM 894 CA PHE A 56 -7.324 -19.021 1.124 1.00 51.43 C ATOM 895 C PHE A 56 -6.701 -19.700 2.341 1.00 24.51 C ATOM 896 O PHE A 56 -7.360 -20.512 2.992 1.00 71.32 O ATOM 897 CB PHE A 56 -8.653 -18.344 1.496 1.00 31.10 C ATOM 898 CG PHE A 56 -9.510 -17.980 0.298 1.00 62.41 C ATOM 899 CD1 PHE A 56 -10.607 -18.791 -0.053 1.00 3.04 C ATOM 900 CD2 PHE A 56 -9.106 -16.944 -0.562 1.00 72.24 C ATOM 901 CE1 PHE A 56 -11.305 -18.556 -1.250 1.00 53.51 C ATOM 902 CE2 PHE A 56 -9.805 -16.710 -1.760 1.00 64.34 C ATOM 903 CZ PHE A 56 -10.906 -17.513 -2.102 1.00 23.53 C ATOM 0 H PHE A 56 -8.436 -20.547 0.267 1.00 4.13 H new ATOM 0 HA PHE A 56 -6.632 -18.263 0.757 1.00 51.43 H new ATOM 0 HB2 PHE A 56 -9.219 -19.009 2.148 1.00 31.10 H new ATOM 0 HB3 PHE A 56 -8.442 -17.441 2.068 1.00 31.10 H new ATOM 0 HD1 PHE A 56 -10.913 -19.596 0.600 1.00 3.04 H new ATOM 0 HD2 PHE A 56 -8.258 -16.327 -0.303 1.00 72.24 H new ATOM 0 HE1 PHE A 56 -12.148 -19.177 -1.515 1.00 53.51 H new ATOM 0 HE2 PHE A 56 -9.495 -15.912 -2.418 1.00 64.34 H new ATOM 0 HZ PHE A 56 -11.445 -17.328 -3.019 1.00 23.53 H new ATOM 913 N SER A 57 -5.441 -19.378 2.659 1.00 63.23 N ATOM 914 CA SER A 57 -4.795 -19.888 3.862 1.00 22.34 C ATOM 915 C SER A 57 -5.455 -19.275 5.097 1.00 33.32 C ATOM 916 O SER A 57 -5.863 -20.004 6.000 1.00 3.30 O ATOM 917 CB SER A 57 -3.285 -19.630 3.818 1.00 4.31 C ATOM 918 OG SER A 57 -3.007 -18.263 3.611 1.00 12.34 O ATOM 0 H SER A 57 -4.852 -18.765 2.095 1.00 63.23 H new ATOM 0 HA SER A 57 -4.925 -20.969 3.916 1.00 22.34 H new ATOM 0 HB2 SER A 57 -2.830 -19.959 4.752 1.00 4.31 H new ATOM 0 HB3 SER A 57 -2.836 -20.220 3.019 1.00 4.31 H new ATOM 0 HG SER A 57 -3.195 -18.029 2.678 1.00 12.34 H new ATOM 965 N SER A 61 -2.960 -14.088 1.376 1.00 4.51 N ATOM 966 CA SER A 61 -1.951 -14.969 0.806 1.00 72.32 C ATOM 967 C SER A 61 -2.606 -16.161 0.096 1.00 34.24 C ATOM 968 O SER A 61 -2.996 -17.137 0.735 1.00 15.52 O ATOM 969 CB SER A 61 -0.962 -15.392 1.901 1.00 54.21 C ATOM 970 OG SER A 61 -1.628 -15.842 3.063 1.00 3.34 O ATOM 0 HA SER A 61 -1.385 -14.437 0.042 1.00 72.32 H new ATOM 0 HB2 SER A 61 -0.317 -16.184 1.522 1.00 54.21 H new ATOM 0 HB3 SER A 61 -0.318 -14.550 2.154 1.00 54.21 H new ATOM 0 HG SER A 61 -1.873 -16.785 2.955 1.00 3.34 H new ATOM 976 N PHE A 62 -2.729 -16.058 -1.234 1.00 43.25 N ATOM 977 CA PHE A 62 -3.409 -17.027 -2.081 1.00 51.05 C ATOM 978 C PHE A 62 -2.445 -18.144 -2.480 1.00 51.25 C ATOM 979 O PHE A 62 -1.479 -17.881 -3.196 1.00 54.41 O ATOM 980 CB PHE A 62 -3.945 -16.317 -3.335 1.00 31.40 C ATOM 981 CG PHE A 62 -4.856 -15.133 -3.065 1.00 73.35 C ATOM 982 CD1 PHE A 62 -4.466 -13.829 -3.432 1.00 33.21 C ATOM 983 CD2 PHE A 62 -6.094 -15.334 -2.426 1.00 72.43 C ATOM 984 CE1 PHE A 62 -5.288 -12.733 -3.111 1.00 51.34 C ATOM 985 CE2 PHE A 62 -6.924 -14.239 -2.131 1.00 72.21 C ATOM 986 CZ PHE A 62 -6.520 -12.938 -2.471 1.00 31.23 C ATOM 0 H PHE A 62 -2.344 -15.272 -1.759 1.00 43.25 H new ATOM 0 HA PHE A 62 -4.241 -17.468 -1.532 1.00 51.05 H new ATOM 0 HB2 PHE A 62 -3.098 -15.976 -3.930 1.00 31.40 H new ATOM 0 HB3 PHE A 62 -4.488 -17.043 -3.940 1.00 31.40 H new ATOM 0 HD1 PHE A 62 -3.537 -13.671 -3.959 1.00 33.21 H new ATOM 0 HD2 PHE A 62 -6.407 -16.333 -2.162 1.00 72.43 H new ATOM 0 HE1 PHE A 62 -4.970 -11.731 -3.358 1.00 51.34 H new ATOM 0 HE2 PHE A 62 -7.874 -14.398 -1.642 1.00 72.21 H new ATOM 0 HZ PHE A 62 -7.156 -12.096 -2.240 1.00 31.23 H new ATOM 996 N TYR A 63 -2.701 -19.380 -2.027 1.00 34.12 N ATOM 997 CA TYR A 63 -1.911 -20.548 -2.404 1.00 4.10 C ATOM 998 C TYR A 63 -2.620 -21.348 -3.493 1.00 4.35 C ATOM 999 O TYR A 63 -3.639 -21.982 -3.230 1.00 13.40 O ATOM 1000 CB TYR A 63 -1.555 -21.398 -1.177 1.00 2.50 C ATOM 1001 CG TYR A 63 -2.674 -22.197 -0.531 1.00 24.11 C ATOM 1002 CD1 TYR A 63 -3.521 -21.601 0.420 1.00 60.13 C ATOM 1003 CD2 TYR A 63 -2.861 -23.549 -0.879 1.00 1.15 C ATOM 1004 CE1 TYR A 63 -4.529 -22.364 1.036 1.00 62.42 C ATOM 1005 CE2 TYR A 63 -3.870 -24.309 -0.265 1.00 20.43 C ATOM 1006 CZ TYR A 63 -4.703 -23.716 0.698 1.00 44.13 C ATOM 1007 OH TYR A 63 -5.687 -24.448 1.295 1.00 40.15 O ATOM 0 H TYR A 63 -3.466 -19.592 -1.387 1.00 34.12 H new ATOM 0 HA TYR A 63 -0.965 -20.208 -2.825 1.00 4.10 H new ATOM 0 HB2 TYR A 63 -0.768 -22.094 -1.467 1.00 2.50 H new ATOM 0 HB3 TYR A 63 -1.133 -20.737 -0.420 1.00 2.50 H new ATOM 0 HD1 TYR A 63 -3.398 -20.559 0.677 1.00 60.13 H new ATOM 0 HD2 TYR A 63 -2.224 -24.004 -1.623 1.00 1.15 H new ATOM 0 HE1 TYR A 63 -5.173 -21.908 1.773 1.00 62.42 H new ATOM 0 HE2 TYR A 63 -4.005 -25.347 -0.533 1.00 20.43 H new ATOM 0 HH TYR A 63 -5.671 -25.364 0.947 1.00 40.15 H new ATOM 1017 N LEU A 64 -2.095 -21.297 -4.722 1.00 3.22 N ATOM 1018 CA LEU A 64 -2.711 -21.970 -5.860 1.00 20.32 C ATOM 1019 C LEU A 64 -1.785 -23.075 -6.365 1.00 63.15 C ATOM 1020 O LEU A 64 -0.711 -22.796 -6.899 1.00 3.03 O ATOM 1021 CB LEU A 64 -3.078 -20.954 -6.954 1.00 3.43 C ATOM 1022 CG LEU A 64 -4.476 -21.223 -7.540 1.00 73.31 C ATOM 1023 CD1 LEU A 64 -4.867 -20.113 -8.522 1.00 72.14 C ATOM 1024 CD2 LEU A 64 -4.597 -22.587 -8.222 1.00 45.41 C ATOM 0 H LEU A 64 -1.239 -20.792 -4.950 1.00 3.22 H new ATOM 0 HA LEU A 64 -3.644 -22.441 -5.551 1.00 20.32 H new ATOM 0 HB2 LEU A 64 -3.046 -19.946 -6.540 1.00 3.43 H new ATOM 0 HB3 LEU A 64 -2.336 -20.995 -7.751 1.00 3.43 H new ATOM 0 HG LEU A 64 -5.164 -21.232 -6.694 1.00 73.31 H new ATOM 0 HD11 LEU A 64 -5.858 -20.318 -8.927 1.00 72.14 H new ATOM 0 HD12 LEU A 64 -4.879 -19.155 -8.002 1.00 72.14 H new ATOM 0 HD13 LEU A 64 -4.143 -20.075 -9.336 1.00 72.14 H new ATOM 0 HD21 LEU A 64 -5.607 -22.710 -8.612 1.00 45.41 H new ATOM 0 HD22 LEU A 64 -3.881 -22.649 -9.042 1.00 45.41 H new ATOM 0 HD23 LEU A 64 -4.389 -23.375 -7.499 1.00 45.41 H new ATOM 1036 N LEU A 65 -2.213 -24.328 -6.185 1.00 14.05 N ATOM 1037 CA LEU A 65 -1.529 -25.508 -6.688 1.00 0.21 C ATOM 1038 C LEU A 65 -1.901 -25.703 -8.159 1.00 11.32 C ATOM 1039 O LEU A 65 -3.038 -25.437 -8.540 1.00 24.42 O ATOM 1040 CB LEU A 65 -1.950 -26.707 -5.829 1.00 43.03 C ATOM 1041 CG LEU A 65 -1.281 -28.036 -6.207 1.00 22.52 C ATOM 1042 CD1 LEU A 65 0.219 -28.045 -5.903 1.00 1.55 C ATOM 1043 CD2 LEU A 65 -1.955 -29.173 -5.432 1.00 4.14 C ATOM 0 H LEU A 65 -3.067 -24.548 -5.672 1.00 14.05 H new ATOM 0 HA LEU A 65 -0.446 -25.401 -6.627 1.00 0.21 H new ATOM 0 HB2 LEU A 65 -1.724 -26.486 -4.786 1.00 43.03 H new ATOM 0 HB3 LEU A 65 -3.031 -26.827 -5.902 1.00 43.03 H new ATOM 0 HG LEU A 65 -1.399 -28.169 -7.282 1.00 22.52 H new ATOM 0 HD11 LEU A 65 0.642 -29.008 -6.189 1.00 1.55 H new ATOM 0 HD12 LEU A 65 0.709 -27.251 -6.466 1.00 1.55 H new ATOM 0 HD13 LEU A 65 0.375 -27.883 -4.837 1.00 1.55 H new ATOM 0 HD21 LEU A 65 -1.485 -30.121 -5.695 1.00 4.14 H new ATOM 0 HD22 LEU A 65 -1.846 -28.999 -4.362 1.00 4.14 H new ATOM 0 HD23 LEU A 65 -3.014 -29.210 -5.687 1.00 4.14 H new ATOM 1055 N TYR A 66 -0.947 -26.168 -8.976 1.00 33.33 N ATOM 1056 CA TYR A 66 -1.171 -26.523 -10.371 1.00 14.32 C ATOM 1057 C TYR A 66 -0.530 -27.884 -10.638 1.00 1.23 C ATOM 1058 O TYR A 66 0.658 -27.959 -10.955 1.00 3.01 O ATOM 1059 CB TYR A 66 -0.626 -25.427 -11.292 1.00 71.32 C ATOM 1060 CG TYR A 66 -1.480 -24.176 -11.331 1.00 24.11 C ATOM 1061 CD1 TYR A 66 -2.564 -24.105 -12.223 1.00 63.13 C ATOM 1062 CD2 TYR A 66 -1.176 -23.073 -10.511 1.00 41.05 C ATOM 1063 CE1 TYR A 66 -3.300 -22.916 -12.351 1.00 15.03 C ATOM 1064 CE2 TYR A 66 -1.906 -21.878 -10.647 1.00 72.32 C ATOM 1065 CZ TYR A 66 -2.947 -21.789 -11.588 1.00 5.42 C ATOM 1066 OH TYR A 66 -3.607 -20.608 -11.767 1.00 2.53 O ATOM 0 H TYR A 66 0.017 -26.308 -8.674 1.00 33.33 H new ATOM 0 HA TYR A 66 -2.238 -26.602 -10.580 1.00 14.32 H new ATOM 0 HB2 TYR A 66 0.379 -25.159 -10.966 1.00 71.32 H new ATOM 0 HB3 TYR A 66 -0.537 -25.826 -12.302 1.00 71.32 H new ATOM 0 HD1 TYR A 66 -2.832 -24.969 -12.813 1.00 63.13 H new ATOM 0 HD2 TYR A 66 -0.385 -23.144 -9.780 1.00 41.05 H new ATOM 0 HE1 TYR A 66 -4.135 -22.867 -13.034 1.00 15.03 H new ATOM 0 HE2 TYR A 66 -1.666 -21.027 -10.027 1.00 72.32 H new ATOM 0 HH TYR A 66 -4.528 -20.788 -12.050 1.00 2.53 H new ATOM 1076 N TYR A 67 -1.324 -28.952 -10.470 1.00 20.41 N ATOM 1077 CA TYR A 67 -0.853 -30.328 -10.448 1.00 55.22 C ATOM 1078 C TYR A 67 -1.249 -31.085 -11.718 1.00 40.53 C ATOM 1079 O TYR A 67 -2.197 -31.865 -11.724 1.00 13.53 O ATOM 1080 CB TYR A 67 -1.302 -31.034 -9.156 1.00 0.40 C ATOM 1081 CG TYR A 67 -2.794 -31.240 -8.936 1.00 55.02 C ATOM 1082 CD1 TYR A 67 -3.342 -32.534 -9.042 1.00 54.33 C ATOM 1083 CD2 TYR A 67 -3.614 -30.175 -8.518 1.00 23.52 C ATOM 1084 CE1 TYR A 67 -4.711 -32.746 -8.809 1.00 24.12 C ATOM 1085 CE2 TYR A 67 -4.982 -30.390 -8.269 1.00 4.03 C ATOM 1086 CZ TYR A 67 -5.533 -31.672 -8.429 1.00 74.41 C ATOM 1087 OH TYR A 67 -6.866 -31.870 -8.214 1.00 51.32 O ATOM 0 H TYR A 67 -2.333 -28.872 -10.344 1.00 20.41 H new ATOM 0 HA TYR A 67 0.237 -30.319 -10.441 1.00 55.22 H new ATOM 0 HB2 TYR A 67 -0.822 -32.012 -9.126 1.00 0.40 H new ATOM 0 HB3 TYR A 67 -0.916 -30.463 -8.312 1.00 0.40 H new ATOM 0 HD1 TYR A 67 -2.706 -33.367 -9.304 1.00 54.33 H new ATOM 0 HD2 TYR A 67 -3.192 -29.190 -8.388 1.00 23.52 H new ATOM 0 HE1 TYR A 67 -5.131 -33.734 -8.922 1.00 24.12 H new ATOM 0 HE2 TYR A 67 -5.609 -29.569 -7.955 1.00 4.03 H new ATOM 0 HH TYR A 67 -7.285 -31.022 -7.957 1.00 51.32 H new ATOM 1097 N THR A 68 -0.491 -30.882 -12.798 1.00 2.00 N ATOM 1098 CA THR A 68 -0.679 -31.614 -14.047 1.00 64.42 C ATOM 1099 C THR A 68 -0.199 -33.058 -13.883 1.00 24.54 C ATOM 1100 O THR A 68 0.506 -33.346 -12.920 1.00 33.10 O ATOM 1101 CB THR A 68 0.085 -30.899 -15.170 1.00 34.30 C ATOM 1102 OG1 THR A 68 -0.442 -31.286 -16.420 1.00 12.22 O ATOM 1103 CG2 THR A 68 1.590 -31.204 -15.129 1.00 1.01 C ATOM 0 H THR A 68 0.271 -30.204 -12.828 1.00 2.00 H new ATOM 0 HA THR A 68 -1.737 -31.641 -14.307 1.00 64.42 H new ATOM 0 HB THR A 68 -0.039 -29.826 -15.024 1.00 34.30 H new ATOM 0 HG1 THR A 68 -1.420 -31.222 -16.397 1.00 12.22 H new ATOM 0 HG21 THR A 68 2.090 -30.677 -15.942 1.00 1.01 H new ATOM 0 HG22 THR A 68 2.002 -30.875 -14.175 1.00 1.01 H new ATOM 0 HG23 THR A 68 1.747 -32.277 -15.241 1.00 1.01 H new ATOM 1111 N GLU A 69 -0.533 -33.939 -14.838 1.00 41.44 N ATOM 1112 CA GLU A 69 0.026 -35.284 -14.938 1.00 34.40 C ATOM 1113 C GLU A 69 0.920 -35.367 -16.174 1.00 40.23 C ATOM 1114 O GLU A 69 0.443 -35.673 -17.266 1.00 53.31 O ATOM 1115 CB GLU A 69 -1.089 -36.339 -14.972 1.00 60.54 C ATOM 1116 CG GLU A 69 -0.487 -37.754 -14.895 1.00 23.20 C ATOM 1117 CD GLU A 69 -1.536 -38.855 -14.751 1.00 23.31 C ATOM 1118 OE1 GLU A 69 -2.697 -38.610 -15.145 1.00 14.03 O ATOM 1119 OE2 GLU A 69 -1.157 -39.936 -14.254 1.00 3.32 O ATOM 0 H GLU A 69 -1.210 -33.728 -15.571 1.00 41.44 H new ATOM 0 HA GLU A 69 0.632 -35.492 -14.056 1.00 34.40 H new ATOM 0 HB2 GLU A 69 -1.774 -36.182 -14.139 1.00 60.54 H new ATOM 0 HB3 GLU A 69 -1.671 -36.233 -15.887 1.00 60.54 H new ATOM 0 HG2 GLU A 69 0.102 -37.939 -15.793 1.00 23.20 H new ATOM 0 HG3 GLU A 69 0.198 -37.803 -14.049 1.00 23.20 H new ATOM 1126 N PHE A 70 2.221 -35.110 -15.994 1.00 73.43 N ATOM 1127 CA PHE A 70 3.214 -35.266 -17.046 1.00 42.32 C ATOM 1128 C PHE A 70 3.764 -36.691 -17.043 1.00 20.52 C ATOM 1129 O PHE A 70 3.842 -37.323 -15.991 1.00 4.35 O ATOM 1130 CB PHE A 70 4.345 -34.247 -16.871 1.00 72.55 C ATOM 1131 CG PHE A 70 5.208 -34.423 -15.632 1.00 60.42 C ATOM 1132 CD1 PHE A 70 6.389 -35.188 -15.685 1.00 2.54 C ATOM 1133 CD2 PHE A 70 4.850 -33.783 -14.430 1.00 11.21 C ATOM 1134 CE1 PHE A 70 7.216 -35.290 -14.551 1.00 23.13 C ATOM 1135 CE2 PHE A 70 5.659 -33.919 -13.290 1.00 72.43 C ATOM 1136 CZ PHE A 70 6.841 -34.671 -13.351 1.00 55.23 C ATOM 0 H PHE A 70 2.609 -34.787 -15.108 1.00 73.43 H new ATOM 0 HA PHE A 70 2.737 -35.082 -18.009 1.00 42.32 H new ATOM 0 HB2 PHE A 70 4.989 -34.293 -17.749 1.00 72.55 H new ATOM 0 HB3 PHE A 70 3.909 -33.248 -16.848 1.00 72.55 H new ATOM 0 HD1 PHE A 70 6.661 -35.697 -16.598 1.00 2.54 H new ATOM 0 HD2 PHE A 70 3.951 -33.186 -14.385 1.00 11.21 H new ATOM 0 HE1 PHE A 70 8.140 -35.846 -14.606 1.00 23.13 H new ATOM 0 HE2 PHE A 70 5.370 -33.443 -12.364 1.00 72.43 H new ATOM 0 HZ PHE A 70 7.462 -34.773 -12.473 1.00 55.23 H new ATOM 1146 N THR A 71 4.162 -37.186 -18.219 1.00 35.54 N ATOM 1147 CA THR A 71 4.802 -38.484 -18.364 1.00 0.24 C ATOM 1148 C THR A 71 6.313 -38.269 -18.516 1.00 25.20 C ATOM 1149 O THR A 71 6.730 -37.787 -19.567 1.00 34.20 O ATOM 1150 CB THR A 71 4.215 -39.220 -19.577 1.00 20.20 C ATOM 1151 OG1 THR A 71 2.807 -39.269 -19.461 1.00 62.44 O ATOM 1152 CG2 THR A 71 4.754 -40.655 -19.643 1.00 0.00 C ATOM 0 H THR A 71 4.045 -36.687 -19.101 1.00 35.54 H new ATOM 0 HA THR A 71 4.620 -39.101 -17.484 1.00 0.24 H new ATOM 0 HB THR A 71 4.501 -38.684 -20.482 1.00 20.20 H new ATOM 0 HG1 THR A 71 2.431 -39.737 -20.236 1.00 62.44 H new ATOM 0 HG21 THR A 71 4.329 -41.164 -20.508 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.840 -40.632 -19.733 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.477 -41.190 -18.735 1.00 0.00 H new ATOM 1160 N PRO A 72 7.139 -38.609 -17.510 1.00 24.24 N ATOM 1161 CA PRO A 72 8.586 -38.494 -17.577 1.00 24.33 C ATOM 1162 C PRO A 72 9.173 -39.627 -18.420 1.00 40.03 C ATOM 1163 O PRO A 72 9.788 -40.554 -17.896 1.00 51.42 O ATOM 1164 CB PRO A 72 9.070 -38.517 -16.127 1.00 25.42 C ATOM 1165 CG PRO A 72 8.030 -39.398 -15.442 1.00 12.44 C ATOM 1166 CD PRO A 72 6.738 -39.084 -16.200 1.00 12.54 C ATOM 0 HA PRO A 72 8.911 -37.575 -18.065 1.00 24.33 H new ATOM 0 HB2 PRO A 72 10.074 -38.934 -16.041 1.00 25.42 H new ATOM 0 HB3 PRO A 72 9.102 -37.517 -15.695 1.00 25.42 H new ATOM 0 HG2 PRO A 72 8.290 -40.454 -15.513 1.00 12.44 H new ATOM 0 HG3 PRO A 72 7.940 -39.162 -14.382 1.00 12.44 H new ATOM 0 HD2 PRO A 72 6.111 -39.972 -16.284 1.00 12.54 H new ATOM 0 HD3 PRO A 72 6.153 -38.329 -15.675 1.00 12.54 H new ATOM 1174 N THR A 73 9.015 -39.511 -19.742 1.00 33.41 N ATOM 1175 CA THR A 73 9.687 -40.349 -20.723 1.00 31.14 C ATOM 1176 C THR A 73 11.207 -40.183 -20.611 1.00 53.23 C ATOM 1177 O THR A 73 11.937 -41.132 -20.888 1.00 60.34 O ATOM 1178 CB THR A 73 9.176 -39.980 -22.124 1.00 12.42 C ATOM 1179 OG1 THR A 73 7.766 -40.081 -22.150 1.00 4.03 O ATOM 1180 CG2 THR A 73 9.752 -40.898 -23.208 1.00 3.32 C ATOM 0 H THR A 73 8.401 -38.814 -20.163 1.00 33.41 H new ATOM 0 HA THR A 73 9.463 -41.399 -20.536 1.00 31.14 H new ATOM 0 HB THR A 73 9.500 -38.960 -22.333 1.00 12.42 H new ATOM 0 HG1 THR A 73 7.437 -39.844 -23.042 1.00 4.03 H new ATOM 0 HG21 THR A 73 9.363 -40.600 -24.182 1.00 3.32 H new ATOM 0 HG22 THR A 73 10.839 -40.819 -23.212 1.00 3.32 H new ATOM 0 HG23 THR A 73 9.464 -41.929 -23.003 1.00 3.32 H new ATOM 1188 N GLU A 74 11.657 -38.986 -20.191 1.00 44.34 N ATOM 1189 CA GLU A 74 13.042 -38.568 -19.994 1.00 22.22 C ATOM 1190 C GLU A 74 13.575 -37.970 -21.299 1.00 14.44 C ATOM 1191 O GLU A 74 13.134 -38.362 -22.378 1.00 55.21 O ATOM 1192 CB GLU A 74 13.910 -39.692 -19.394 1.00 3.53 C ATOM 1193 CG GLU A 74 15.210 -39.217 -18.727 1.00 45.04 C ATOM 1194 CD GLU A 74 16.323 -38.890 -19.721 1.00 12.02 C ATOM 1195 OE1 GLU A 74 16.875 -37.774 -19.613 1.00 13.11 O ATOM 1196 OE2 GLU A 74 16.611 -39.764 -20.569 1.00 33.10 O ATOM 0 H GLU A 74 11.005 -38.234 -19.966 1.00 44.34 H new ATOM 0 HA GLU A 74 13.089 -37.781 -19.241 1.00 22.22 H new ATOM 0 HB2 GLU A 74 13.318 -40.235 -18.657 1.00 3.53 H new ATOM 0 HB3 GLU A 74 14.161 -40.399 -20.185 1.00 3.53 H new ATOM 0 HG2 GLU A 74 14.998 -38.332 -18.127 1.00 45.04 H new ATOM 0 HG3 GLU A 74 15.561 -39.989 -18.043 1.00 45.04 H new ATOM 1203 N LYS A 75 14.470 -36.978 -21.173 1.00 72.24 N ATOM 1204 CA LYS A 75 14.989 -36.098 -22.217 1.00 64.34 C ATOM 1205 C LYS A 75 14.113 -34.849 -22.318 1.00 43.04 C ATOM 1206 O LYS A 75 14.621 -33.733 -22.232 1.00 4.13 O ATOM 1207 CB LYS A 75 15.176 -36.808 -23.567 1.00 24.54 C ATOM 1208 CG LYS A 75 16.058 -35.982 -24.512 1.00 0.31 C ATOM 1209 CD LYS A 75 16.218 -36.652 -25.882 1.00 14.20 C ATOM 1210 CE LYS A 75 16.952 -37.996 -25.791 1.00 0.54 C ATOM 1211 NZ LYS A 75 17.249 -38.538 -27.127 1.00 11.11 N ATOM 0 H LYS A 75 14.878 -36.758 -20.264 1.00 72.24 H new ATOM 0 HA LYS A 75 15.994 -35.789 -21.931 1.00 64.34 H new ATOM 0 HB2 LYS A 75 15.628 -37.787 -23.406 1.00 24.54 H new ATOM 0 HB3 LYS A 75 14.204 -36.978 -24.029 1.00 24.54 H new ATOM 0 HG2 LYS A 75 15.622 -34.992 -24.642 1.00 0.31 H new ATOM 0 HG3 LYS A 75 17.040 -35.841 -24.061 1.00 0.31 H new ATOM 0 HD2 LYS A 75 15.234 -36.807 -26.325 1.00 14.20 H new ATOM 0 HD3 LYS A 75 16.766 -35.986 -26.548 1.00 14.20 H new ATOM 0 HE2 LYS A 75 17.880 -37.868 -25.234 1.00 0.54 H new ATOM 0 HE3 LYS A 75 16.342 -38.708 -25.235 1.00 0.54 H new ATOM 0 HZ1 LYS A 75 17.745 -39.447 -27.030 1.00 11.11 H new ATOM 0 HZ2 LYS A 75 16.361 -38.682 -27.648 1.00 11.11 H new ATOM 0 HZ3 LYS A 75 17.851 -37.868 -27.647 1.00 11.11 H new ATOM 1225 N ASP A 76 12.797 -35.041 -22.469 1.00 20.22 N ATOM 1226 CA ASP A 76 11.815 -33.965 -22.451 1.00 43.32 C ATOM 1227 C ASP A 76 11.754 -33.371 -21.043 1.00 23.31 C ATOM 1228 O ASP A 76 11.610 -34.115 -20.076 1.00 74.23 O ATOM 1229 CB ASP A 76 10.447 -34.510 -22.876 1.00 3.45 C ATOM 1230 CG ASP A 76 10.484 -35.080 -24.292 1.00 15.34 C ATOM 1231 OD1 ASP A 76 10.190 -34.304 -25.227 1.00 12.15 O ATOM 1232 OD2 ASP A 76 10.809 -36.281 -24.414 1.00 72.21 O ATOM 0 H ASP A 76 12.385 -35.963 -22.609 1.00 20.22 H new ATOM 0 HA ASP A 76 12.102 -33.181 -23.152 1.00 43.32 H new ATOM 0 HB2 ASP A 76 10.131 -35.286 -22.179 1.00 3.45 H new ATOM 0 HB3 ASP A 76 9.705 -33.713 -22.823 1.00 3.45 H new ATOM 1237 N GLU A 77 11.897 -32.044 -20.930 1.00 21.35 N ATOM 1238 CA GLU A 77 11.955 -31.341 -19.653 1.00 64.22 C ATOM 1239 C GLU A 77 10.567 -30.856 -19.237 1.00 34.42 C ATOM 1240 O GLU A 77 9.775 -30.452 -20.083 1.00 20.45 O ATOM 1241 CB GLU A 77 12.984 -30.201 -19.733 1.00 52.44 C ATOM 1242 CG GLU A 77 12.586 -29.011 -20.624 1.00 31.33 C ATOM 1243 CD GLU A 77 11.678 -28.003 -19.916 1.00 33.54 C ATOM 1244 OE1 GLU A 77 10.584 -27.731 -20.457 1.00 71.13 O ATOM 1245 OE2 GLU A 77 12.105 -27.508 -18.851 1.00 42.04 O ATOM 0 H GLU A 77 11.976 -31.425 -21.737 1.00 21.35 H new ATOM 0 HA GLU A 77 12.287 -32.027 -18.874 1.00 64.22 H new ATOM 0 HB2 GLU A 77 13.170 -29.831 -18.725 1.00 52.44 H new ATOM 0 HB3 GLU A 77 13.925 -30.609 -20.101 1.00 52.44 H new ATOM 0 HG2 GLU A 77 13.488 -28.502 -20.963 1.00 31.33 H new ATOM 0 HG3 GLU A 77 12.078 -29.385 -21.513 1.00 31.33 H new ATOM 1252 N TYR A 78 10.272 -30.911 -17.934 1.00 11.03 N ATOM 1253 CA TYR A 78 9.006 -30.466 -17.359 1.00 23.13 C ATOM 1254 C TYR A 78 9.242 -29.141 -16.639 1.00 15.34 C ATOM 1255 O TYR A 78 10.242 -29.003 -15.934 1.00 34.34 O ATOM 1256 CB TYR A 78 8.475 -31.555 -16.417 1.00 20.10 C ATOM 1257 CG TYR A 78 8.400 -32.902 -17.110 1.00 4.34 C ATOM 1258 CD1 TYR A 78 9.503 -33.775 -17.058 1.00 15.20 C ATOM 1259 CD2 TYR A 78 7.397 -33.116 -18.070 1.00 22.44 C ATOM 1260 CE1 TYR A 78 9.615 -34.831 -17.976 1.00 12.41 C ATOM 1261 CE2 TYR A 78 7.523 -34.153 -19.010 1.00 13.00 C ATOM 1262 CZ TYR A 78 8.658 -34.980 -18.993 1.00 41.44 C ATOM 1263 OH TYR A 78 8.837 -35.918 -19.967 1.00 55.43 O ATOM 0 H TYR A 78 10.923 -31.274 -17.238 1.00 11.03 H new ATOM 0 HA TYR A 78 8.253 -30.303 -18.130 1.00 23.13 H new ATOM 0 HB2 TYR A 78 9.123 -31.630 -15.544 1.00 20.10 H new ATOM 0 HB3 TYR A 78 7.485 -31.275 -16.056 1.00 20.10 H new ATOM 0 HD1 TYR A 78 10.267 -33.632 -16.308 1.00 15.20 H new ATOM 0 HD2 TYR A 78 6.524 -32.480 -18.086 1.00 22.44 H new ATOM 0 HE1 TYR A 78 10.436 -35.528 -17.900 1.00 12.41 H new ATOM 0 HE2 TYR A 78 6.748 -34.314 -19.745 1.00 13.00 H new ATOM 0 HH TYR A 78 8.141 -36.604 -19.892 1.00 55.43 H new ATOM 1273 N ALA A 79 8.354 -28.158 -16.836 1.00 21.44 N ATOM 1274 CA ALA A 79 8.553 -26.823 -16.290 1.00 12.42 C ATOM 1275 C ALA A 79 7.233 -26.076 -16.112 1.00 40.31 C ATOM 1276 O ALA A 79 6.425 -25.993 -17.037 1.00 41.03 O ATOM 1277 CB ALA A 79 9.504 -26.030 -17.192 1.00 31.15 C ATOM 0 H ALA A 79 7.493 -28.269 -17.371 1.00 21.44 H new ATOM 0 HA ALA A 79 8.997 -26.928 -15.300 1.00 12.42 H new ATOM 0 HB1 ALA A 79 9.650 -25.032 -16.779 1.00 31.15 H new ATOM 0 HB2 ALA A 79 10.464 -26.543 -17.249 1.00 31.15 H new ATOM 0 HB3 ALA A 79 9.076 -25.950 -18.191 1.00 31.15 H new ATOM 1283 N CYS A 80 7.053 -25.498 -14.918 1.00 11.32 N ATOM 1284 CA CYS A 80 5.953 -24.607 -14.593 1.00 43.34 C ATOM 1285 C CYS A 80 6.333 -23.188 -15.012 1.00 20.52 C ATOM 1286 O CYS A 80 7.364 -22.679 -14.577 1.00 22.35 O ATOM 1287 CB CYS A 80 5.677 -24.669 -13.088 1.00 74.41 C ATOM 1288 SG CYS A 80 4.168 -23.802 -12.584 1.00 43.02 S ATOM 0 H CYS A 80 7.691 -25.647 -14.136 1.00 11.32 H new ATOM 0 HA CYS A 80 5.049 -24.908 -15.123 1.00 43.34 H new ATOM 0 HB2 CYS A 80 5.603 -25.713 -12.784 1.00 74.41 H new ATOM 0 HB3 CYS A 80 6.526 -24.241 -12.555 1.00 74.41 H new ATOM 1293 N ARG A 81 5.509 -22.547 -15.848 1.00 23.34 N ATOM 1294 CA ARG A 81 5.718 -21.179 -16.281 1.00 1.31 C ATOM 1295 C ARG A 81 4.990 -20.301 -15.281 1.00 54.13 C ATOM 1296 O ARG A 81 3.876 -20.637 -14.889 1.00 12.53 O ATOM 1297 CB ARG A 81 5.176 -20.991 -17.701 1.00 73.21 C ATOM 1298 CG ARG A 81 5.393 -19.549 -18.179 1.00 63.22 C ATOM 1299 CD ARG A 81 5.635 -19.472 -19.689 1.00 43.21 C ATOM 1300 NE ARG A 81 4.535 -20.047 -20.472 1.00 44.14 N ATOM 1301 CZ ARG A 81 4.540 -20.121 -21.815 1.00 43.12 C ATOM 1302 NH1 ARG A 81 5.594 -19.687 -22.523 1.00 34.33 N ATOM 1303 NH2 ARG A 81 3.488 -20.637 -22.460 1.00 13.53 N ATOM 0 H ARG A 81 4.672 -22.976 -16.242 1.00 23.34 H new ATOM 0 HA ARG A 81 6.776 -20.917 -16.314 1.00 1.31 H new ATOM 0 HB2 ARG A 81 5.674 -21.683 -18.380 1.00 73.21 H new ATOM 0 HB3 ARG A 81 4.113 -21.231 -17.724 1.00 73.21 H new ATOM 0 HG2 ARG A 81 4.522 -18.947 -17.921 1.00 63.22 H new ATOM 0 HG3 ARG A 81 6.245 -19.118 -17.653 1.00 63.22 H new ATOM 0 HD2 ARG A 81 5.774 -18.430 -19.977 1.00 43.21 H new ATOM 0 HD3 ARG A 81 6.560 -19.996 -19.931 1.00 43.21 H new ATOM 0 HE ARG A 81 3.724 -20.410 -19.971 1.00 44.14 H new ATOM 0 HH11 ARG A 81 6.404 -19.295 -22.043 1.00 34.33 H new ATOM 0 HH12 ARG A 81 5.585 -19.749 -23.541 1.00 34.33 H new ATOM 0 HH21 ARG A 81 2.682 -20.974 -21.933 1.00 13.53 H new ATOM 0 HH22 ARG A 81 3.492 -20.693 -23.478 1.00 13.53 H new ATOM 1317 N VAL A 82 5.632 -19.222 -14.829 1.00 25.13 N ATOM 1318 CA VAL A 82 5.129 -18.404 -13.741 1.00 24.24 C ATOM 1319 C VAL A 82 5.209 -16.944 -14.175 1.00 55.11 C ATOM 1320 O VAL A 82 6.219 -16.276 -13.961 1.00 25.32 O ATOM 1321 CB VAL A 82 5.903 -18.717 -12.447 1.00 53.34 C ATOM 1322 CG1 VAL A 82 5.208 -18.029 -11.272 1.00 4.24 C ATOM 1323 CG2 VAL A 82 5.935 -20.223 -12.152 1.00 62.15 C ATOM 0 H VAL A 82 6.519 -18.896 -15.214 1.00 25.13 H new ATOM 0 HA VAL A 82 4.085 -18.624 -13.516 1.00 24.24 H new ATOM 0 HB VAL A 82 6.924 -18.359 -12.578 1.00 53.34 H new ATOM 0 HG11 VAL A 82 5.750 -18.246 -10.351 1.00 4.24 H new ATOM 0 HG12 VAL A 82 5.192 -16.952 -11.439 1.00 4.24 H new ATOM 0 HG13 VAL A 82 4.186 -18.398 -11.187 1.00 4.24 H new ATOM 0 HG21 VAL A 82 6.490 -20.402 -11.231 1.00 62.15 H new ATOM 0 HG22 VAL A 82 4.916 -20.593 -12.039 1.00 62.15 H new ATOM 0 HG23 VAL A 82 6.421 -20.745 -12.976 1.00 62.15 H new ATOM 1333 N ASN A 83 4.130 -16.471 -14.810 1.00 62.22 N ATOM 1334 CA ASN A 83 3.991 -15.116 -15.321 1.00 5.40 C ATOM 1335 C ASN A 83 2.956 -14.399 -14.454 1.00 13.41 C ATOM 1336 O ASN A 83 1.907 -14.967 -14.156 1.00 3.41 O ATOM 1337 CB ASN A 83 3.543 -15.164 -16.788 1.00 74.31 C ATOM 1338 CG ASN A 83 4.514 -15.908 -17.708 1.00 31.22 C ATOM 1339 OD1 ASN A 83 5.563 -16.387 -17.282 1.00 74.14 O ATOM 1340 ND2 ASN A 83 4.155 -16.012 -18.990 1.00 21.21 N ATOM 0 H ASN A 83 3.306 -17.046 -14.984 1.00 62.22 H new ATOM 0 HA ASN A 83 4.939 -14.580 -15.280 1.00 5.40 H new ATOM 0 HB2 ASN A 83 2.565 -15.643 -16.844 1.00 74.31 H new ATOM 0 HB3 ASN A 83 3.420 -14.145 -17.154 1.00 74.31 H new ATOM 0 HD21 ASN A 83 4.759 -16.501 -19.651 1.00 21.21 H new ATOM 0 HD22 ASN A 83 3.277 -15.602 -19.309 1.00 21.21 H new ATOM 1347 N HIS A 84 3.266 -13.172 -14.021 1.00 0.00 N ATOM 1348 CA HIS A 84 2.449 -12.411 -13.084 1.00 0.00 C ATOM 1349 C HIS A 84 2.749 -10.920 -13.246 1.00 0.00 C ATOM 1350 O HIS A 84 3.790 -10.553 -13.788 1.00 0.00 O ATOM 1351 CB HIS A 84 2.745 -12.901 -11.660 1.00 0.00 C ATOM 1352 CG HIS A 84 1.929 -12.251 -10.570 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.539 -11.525 -9.551 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.580 -12.286 -10.337 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.543 -11.182 -8.732 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.343 -11.598 -9.166 1.00 0.00 N ATOM 0 H HIS A 84 4.106 -12.677 -14.320 1.00 0.00 H new ATOM 0 HA HIS A 84 1.388 -12.560 -13.284 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.579 -13.978 -11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.801 -12.734 -11.449 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.163 -12.765 -10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.687 -10.628 -7.816 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.560 -11.438 -8.720 1.00 0.00 H new ATOM 1364 N VAL A 85 1.824 -10.069 -12.785 1.00 4.12 N ATOM 1365 CA VAL A 85 1.877 -8.617 -12.936 1.00 54.25 C ATOM 1366 C VAL A 85 3.166 -8.021 -12.356 1.00 44.55 C ATOM 1367 O VAL A 85 3.703 -7.070 -12.923 1.00 11.11 O ATOM 1368 CB VAL A 85 0.611 -7.983 -12.328 1.00 13.42 C ATOM 1369 CG1 VAL A 85 0.658 -6.449 -12.368 1.00 0.10 C ATOM 1370 CG2 VAL A 85 -0.638 -8.452 -13.086 1.00 15.40 C ATOM 0 H VAL A 85 0.995 -10.385 -12.282 1.00 4.12 H new ATOM 0 HA VAL A 85 1.898 -8.381 -14.000 1.00 54.25 H new ATOM 0 HB VAL A 85 0.567 -8.304 -11.287 1.00 13.42 H new ATOM 0 HG11 VAL A 85 -0.255 -6.045 -11.929 1.00 0.10 H new ATOM 0 HG12 VAL A 85 1.520 -6.096 -11.801 1.00 0.10 H new ATOM 0 HG13 VAL A 85 0.742 -6.114 -13.402 1.00 0.10 H new ATOM 0 HG21 VAL A 85 -1.524 -7.996 -12.645 1.00 15.40 H new ATOM 0 HG22 VAL A 85 -0.561 -8.157 -14.132 1.00 15.40 H new ATOM 0 HG23 VAL A 85 -0.718 -9.537 -13.020 1.00 15.40 H new ATOM 1380 N THR A 86 3.672 -8.574 -11.246 1.00 2.40 N ATOM 1381 CA THR A 86 4.892 -8.100 -10.604 1.00 2.22 C ATOM 1382 C THR A 86 6.133 -8.410 -11.451 1.00 61.31 C ATOM 1383 O THR A 86 7.133 -7.701 -11.355 1.00 12.54 O ATOM 1384 CB THR A 86 5.014 -8.716 -9.204 1.00 12.54 C ATOM 1385 OG1 THR A 86 5.100 -10.125 -9.282 1.00 33.11 O ATOM 1386 CG2 THR A 86 3.824 -8.322 -8.324 1.00 73.23 C ATOM 0 H THR A 86 3.240 -9.366 -10.771 1.00 2.40 H new ATOM 0 HA THR A 86 4.832 -7.016 -10.511 1.00 2.22 H new ATOM 0 HB THR A 86 5.927 -8.328 -8.753 1.00 12.54 H new ATOM 0 HG1 THR A 86 4.200 -10.503 -9.368 1.00 33.11 H new ATOM 0 HG21 THR A 86 3.936 -8.772 -7.338 1.00 73.23 H new ATOM 0 HG22 THR A 86 3.788 -7.237 -8.226 1.00 73.23 H new ATOM 0 HG23 THR A 86 2.900 -8.676 -8.782 1.00 73.23 H new ATOM 1394 N LEU A 87 6.072 -9.474 -12.263 1.00 45.04 N ATOM 1395 CA LEU A 87 7.192 -9.988 -13.032 1.00 65.41 C ATOM 1396 C LEU A 87 7.166 -9.396 -14.440 1.00 31.45 C ATOM 1397 O LEU A 87 6.222 -9.628 -15.192 1.00 35.13 O ATOM 1398 CB LEU A 87 7.111 -11.518 -13.098 1.00 34.55 C ATOM 1399 CG LEU A 87 6.884 -12.185 -11.730 1.00 3.22 C ATOM 1400 CD1 LEU A 87 6.787 -13.700 -11.920 1.00 2.22 C ATOM 1401 CD2 LEU A 87 8.000 -11.858 -10.731 1.00 75.31 C ATOM 0 H LEU A 87 5.215 -10.009 -12.400 1.00 45.04 H new ATOM 0 HA LEU A 87 8.126 -9.703 -12.548 1.00 65.41 H new ATOM 0 HB2 LEU A 87 6.301 -11.801 -13.769 1.00 34.55 H new ATOM 0 HB3 LEU A 87 8.034 -11.903 -13.532 1.00 34.55 H new ATOM 0 HG LEU A 87 5.955 -11.792 -11.316 1.00 3.22 H new ATOM 0 HD11 LEU A 87 6.626 -14.178 -10.954 1.00 2.22 H new ATOM 0 HD12 LEU A 87 5.953 -13.931 -12.583 1.00 2.22 H new ATOM 0 HD13 LEU A 87 7.713 -14.072 -12.359 1.00 2.22 H new ATOM 0 HD21 LEU A 87 7.794 -12.352 -9.781 1.00 75.31 H new ATOM 0 HD22 LEU A 87 8.954 -12.210 -11.123 1.00 75.31 H new ATOM 0 HD23 LEU A 87 8.046 -10.780 -10.577 1.00 75.31 H new ATOM 1413 N SER A 88 8.218 -8.657 -14.805 1.00 0.40 N ATOM 1414 CA SER A 88 8.400 -8.155 -16.158 1.00 32.14 C ATOM 1415 C SER A 88 8.614 -9.317 -17.134 1.00 53.33 C ATOM 1416 O SER A 88 7.945 -9.385 -18.163 1.00 40.35 O ATOM 1417 CB SER A 88 9.568 -7.162 -16.189 1.00 23.13 C ATOM 1418 OG SER A 88 10.734 -7.731 -15.628 1.00 2.30 O ATOM 0 H SER A 88 8.966 -8.393 -14.164 1.00 0.40 H new ATOM 0 HA SER A 88 7.501 -7.627 -16.474 1.00 32.14 H new ATOM 0 HB2 SER A 88 9.766 -6.860 -17.218 1.00 23.13 H new ATOM 0 HB3 SER A 88 9.298 -6.261 -15.638 1.00 23.13 H new ATOM 0 HG SER A 88 11.465 -7.079 -15.661 1.00 2.30 H new ATOM 1424 N GLN A 89 9.544 -10.223 -16.803 1.00 42.51 N ATOM 1425 CA GLN A 89 9.952 -11.328 -17.662 1.00 4.30 C ATOM 1426 C GLN A 89 9.262 -12.617 -17.198 1.00 63.11 C ATOM 1427 O GLN A 89 8.964 -12.743 -16.011 1.00 52.15 O ATOM 1428 CB GLN A 89 11.483 -11.475 -17.618 1.00 2.34 C ATOM 1429 CG GLN A 89 12.231 -10.199 -18.037 1.00 5.45 C ATOM 1430 CD GLN A 89 11.812 -9.688 -19.415 1.00 0.01 C ATOM 1431 OE1 GLN A 89 11.129 -8.672 -19.520 1.00 24.40 O ATOM 1432 NE2 GLN A 89 12.219 -10.393 -20.473 1.00 73.24 N ATOM 0 H GLN A 89 10.040 -10.202 -15.912 1.00 42.51 H new ATOM 0 HA GLN A 89 9.655 -11.129 -18.692 1.00 4.30 H new ATOM 0 HB2 GLN A 89 11.785 -11.749 -16.607 1.00 2.34 H new ATOM 0 HB3 GLN A 89 11.781 -12.294 -18.273 1.00 2.34 H new ATOM 0 HG2 GLN A 89 12.052 -9.420 -17.296 1.00 5.45 H new ATOM 0 HG3 GLN A 89 13.303 -10.397 -18.039 1.00 5.45 H new ATOM 0 HE21 GLN A 89 12.785 -11.231 -20.340 1.00 73.24 H new ATOM 0 HE22 GLN A 89 11.964 -10.094 -21.414 1.00 73.24 H new ATOM 1441 N PRO A 90 9.003 -13.579 -18.099 1.00 1.50 N ATOM 1442 CA PRO A 90 8.333 -14.827 -17.767 1.00 45.23 C ATOM 1443 C PRO A 90 9.318 -15.807 -17.117 1.00 54.14 C ATOM 1444 O PRO A 90 10.387 -16.061 -17.672 1.00 73.42 O ATOM 1445 CB PRO A 90 7.812 -15.358 -19.105 1.00 1.13 C ATOM 1446 CG PRO A 90 8.850 -14.856 -20.108 1.00 33.33 C ATOM 1447 CD PRO A 90 9.241 -13.494 -19.533 1.00 25.20 C ATOM 0 HA PRO A 90 7.525 -14.691 -17.048 1.00 45.23 H new ATOM 0 HB2 PRO A 90 7.743 -16.446 -19.107 1.00 1.13 H new ATOM 0 HB3 PRO A 90 6.817 -14.975 -19.330 1.00 1.13 H new ATOM 0 HG2 PRO A 90 9.706 -15.528 -20.176 1.00 33.33 H new ATOM 0 HG3 PRO A 90 8.434 -14.768 -21.112 1.00 33.33 H new ATOM 0 HD2 PRO A 90 10.287 -13.268 -19.742 1.00 25.20 H new ATOM 0 HD3 PRO A 90 8.647 -12.697 -19.980 1.00 25.20 H new ATOM 1455 N LYS A 91 8.971 -16.345 -15.940 1.00 33.23 N ATOM 1456 CA LYS A 91 9.828 -17.264 -15.197 1.00 24.55 C ATOM 1457 C LYS A 91 9.444 -18.705 -15.526 1.00 44.52 C ATOM 1458 O LYS A 91 8.495 -19.240 -14.957 1.00 3.43 O ATOM 1459 CB LYS A 91 9.724 -17.002 -13.687 1.00 5.10 C ATOM 1460 CG LYS A 91 10.647 -15.876 -13.200 1.00 33.33 C ATOM 1461 CD LYS A 91 10.396 -14.535 -13.897 1.00 62.32 C ATOM 1462 CE LYS A 91 11.173 -13.421 -13.191 1.00 35.12 C ATOM 1463 NZ LYS A 91 10.921 -12.110 -13.811 1.00 75.21 N ATOM 0 H LYS A 91 8.082 -16.151 -15.479 1.00 33.23 H new ATOM 0 HA LYS A 91 10.864 -17.100 -15.493 1.00 24.55 H new ATOM 0 HB2 LYS A 91 8.693 -16.750 -13.439 1.00 5.10 H new ATOM 0 HB3 LYS A 91 9.966 -17.919 -13.149 1.00 5.10 H new ATOM 0 HG2 LYS A 91 10.515 -15.748 -12.126 1.00 33.33 H new ATOM 0 HG3 LYS A 91 11.684 -16.172 -13.361 1.00 33.33 H new ATOM 0 HD2 LYS A 91 10.702 -14.596 -14.941 1.00 62.32 H new ATOM 0 HD3 LYS A 91 9.330 -14.306 -13.890 1.00 62.32 H new ATOM 0 HE2 LYS A 91 10.888 -13.388 -12.139 1.00 35.12 H new ATOM 0 HE3 LYS A 91 12.240 -13.642 -13.226 1.00 35.12 H new ATOM 0 HZ1 LYS A 91 11.814 -11.720 -14.174 1.00 75.21 H new ATOM 0 HZ2 LYS A 91 10.247 -12.221 -14.595 1.00 75.21 H new ATOM 0 HZ3 LYS A 91 10.523 -11.461 -13.102 1.00 75.21 H new ATOM 1477 N ILE A 92 10.209 -19.337 -16.422 1.00 62.45 N ATOM 1478 CA ILE A 92 10.097 -20.754 -16.733 1.00 0.24 C ATOM 1479 C ILE A 92 10.917 -21.489 -15.667 1.00 60.41 C ATOM 1480 O ILE A 92 12.146 -21.445 -15.695 1.00 22.20 O ATOM 1481 CB ILE A 92 10.588 -21.024 -18.172 1.00 32.44 C ATOM 1482 CG1 ILE A 92 9.631 -20.471 -19.249 1.00 53.21 C ATOM 1483 CG2 ILE A 92 10.715 -22.534 -18.428 1.00 23.22 C ATOM 1484 CD1 ILE A 92 9.445 -18.950 -19.250 1.00 40.33 C ATOM 0 H ILE A 92 10.936 -18.863 -16.958 1.00 62.45 H new ATOM 0 HA ILE A 92 9.066 -21.108 -16.708 1.00 0.24 H new ATOM 0 HB ILE A 92 11.551 -20.518 -18.248 1.00 32.44 H new ATOM 0 HG12 ILE A 92 10.000 -20.775 -20.228 1.00 53.21 H new ATOM 0 HG13 ILE A 92 8.655 -20.939 -19.117 1.00 53.21 H new ATOM 0 HG21 ILE A 92 11.062 -22.702 -19.447 1.00 23.22 H new ATOM 0 HG22 ILE A 92 11.430 -22.963 -17.726 1.00 23.22 H new ATOM 0 HG23 ILE A 92 9.743 -23.009 -18.293 1.00 23.22 H new ATOM 0 HD11 ILE A 92 8.754 -18.668 -20.045 1.00 40.33 H new ATOM 0 HD12 ILE A 92 9.041 -18.632 -18.289 1.00 40.33 H new ATOM 0 HD13 ILE A 92 10.407 -18.466 -19.417 1.00 40.33 H new ATOM 1496 N VAL A 93 10.231 -22.119 -14.706 1.00 4.20 N ATOM 1497 CA VAL A 93 10.839 -22.738 -13.538 1.00 43.43 C ATOM 1498 C VAL A 93 11.186 -24.183 -13.865 1.00 51.44 C ATOM 1499 O VAL A 93 10.378 -24.906 -14.443 1.00 31.11 O ATOM 1500 CB VAL A 93 9.903 -22.674 -12.322 1.00 11.20 C ATOM 1501 CG1 VAL A 93 10.598 -23.267 -11.088 1.00 22.25 C ATOM 1502 CG2 VAL A 93 9.491 -21.235 -12.015 1.00 41.13 C ATOM 0 H VAL A 93 9.215 -22.211 -14.726 1.00 4.20 H new ATOM 0 HA VAL A 93 11.746 -22.190 -13.282 1.00 43.43 H new ATOM 0 HB VAL A 93 9.011 -23.253 -12.562 1.00 11.20 H new ATOM 0 HG11 VAL A 93 9.925 -23.216 -10.232 1.00 22.25 H new ATOM 0 HG12 VAL A 93 10.860 -24.307 -11.283 1.00 22.25 H new ATOM 0 HG13 VAL A 93 11.503 -22.699 -10.872 1.00 22.25 H new ATOM 0 HG21 VAL A 93 8.829 -21.223 -11.149 1.00 41.13 H new ATOM 0 HG22 VAL A 93 10.379 -20.640 -11.801 1.00 41.13 H new ATOM 0 HG23 VAL A 93 8.971 -20.814 -12.875 1.00 41.13 H new ATOM 1512 N LYS A 94 12.393 -24.592 -13.472 1.00 0.32 N ATOM 1513 CA LYS A 94 12.934 -25.907 -13.746 1.00 72.41 C ATOM 1514 C LYS A 94 12.546 -26.837 -12.599 1.00 31.41 C ATOM 1515 O LYS A 94 13.167 -26.789 -11.537 1.00 33.23 O ATOM 1516 CB LYS A 94 14.457 -25.806 -13.894 1.00 14.40 C ATOM 1517 CG LYS A 94 14.849 -24.898 -15.068 1.00 25.44 C ATOM 1518 CD LYS A 94 16.361 -24.634 -15.151 1.00 14.11 C ATOM 1519 CE LYS A 94 17.223 -25.899 -15.266 1.00 11.33 C ATOM 1520 NZ LYS A 94 17.556 -26.479 -13.951 1.00 64.12 N ATOM 0 H LYS A 94 13.030 -23.997 -12.942 1.00 0.32 H new ATOM 0 HA LYS A 94 12.531 -26.309 -14.676 1.00 72.41 H new ATOM 0 HB2 LYS A 94 14.888 -25.417 -12.972 1.00 14.40 H new ATOM 0 HB3 LYS A 94 14.876 -26.801 -14.046 1.00 14.40 H new ATOM 0 HG2 LYS A 94 14.515 -25.355 -16.000 1.00 25.44 H new ATOM 0 HG3 LYS A 94 14.325 -23.947 -14.974 1.00 25.44 H new ATOM 0 HD2 LYS A 94 16.559 -23.995 -16.012 1.00 14.11 H new ATOM 0 HD3 LYS A 94 16.669 -24.079 -14.265 1.00 14.11 H new ATOM 0 HE2 LYS A 94 16.694 -26.642 -15.863 1.00 11.33 H new ATOM 0 HE3 LYS A 94 18.144 -25.660 -15.797 1.00 11.33 H new ATOM 0 HZ1 LYS A 94 18.571 -26.701 -13.917 1.00 64.12 H new ATOM 0 HZ2 LYS A 94 17.325 -25.796 -13.202 1.00 64.12 H new ATOM 0 HZ3 LYS A 94 17.006 -27.350 -13.806 1.00 64.12 H new ATOM 1534 N TRP A 95 11.525 -27.676 -12.822 1.00 72.44 N ATOM 1535 CA TRP A 95 11.123 -28.741 -11.914 1.00 11.10 C ATOM 1536 C TRP A 95 12.347 -29.537 -11.457 1.00 0.21 C ATOM 1537 O TRP A 95 13.037 -30.144 -12.276 1.00 73.44 O ATOM 1538 CB TRP A 95 10.156 -29.693 -12.625 1.00 4.41 C ATOM 1539 CG TRP A 95 9.915 -30.993 -11.920 1.00 4.34 C ATOM 1540 CD1 TRP A 95 9.435 -31.145 -10.667 1.00 61.13 C ATOM 1541 CD2 TRP A 95 10.220 -32.336 -12.391 1.00 14.10 C ATOM 1542 NE1 TRP A 95 9.417 -32.481 -10.330 1.00 54.12 N ATOM 1543 CE2 TRP A 95 9.868 -33.267 -11.372 1.00 65.14 C ATOM 1544 CE3 TRP A 95 10.775 -32.859 -13.576 1.00 4.03 C ATOM 1545 CZ2 TRP A 95 10.021 -34.653 -11.541 1.00 60.22 C ATOM 1546 CZ3 TRP A 95 10.936 -34.246 -13.753 1.00 20.24 C ATOM 1547 CH2 TRP A 95 10.529 -35.143 -12.753 1.00 24.33 C ATOM 0 H TRP A 95 10.947 -27.626 -13.661 1.00 72.44 H new ATOM 0 HA TRP A 95 10.635 -28.291 -11.049 1.00 11.10 H new ATOM 0 HB2 TRP A 95 9.200 -29.185 -12.756 1.00 4.41 H new ATOM 0 HB3 TRP A 95 10.544 -29.904 -13.622 1.00 4.41 H new ATOM 0 HD1 TRP A 95 9.113 -30.339 -10.024 1.00 61.13 H new ATOM 0 HE1 TRP A 95 9.110 -32.843 -9.427 1.00 54.12 H new ATOM 0 HE3 TRP A 95 11.082 -32.184 -14.361 1.00 4.03 H new ATOM 0 HZ2 TRP A 95 9.751 -35.333 -10.747 1.00 60.22 H new ATOM 0 HZ3 TRP A 95 11.376 -34.623 -14.665 1.00 20.24 H new ATOM 0 HH2 TRP A 95 10.607 -36.208 -12.916 1.00 24.33 H new ATOM 1558 N ASP A 96 12.590 -29.541 -10.144 1.00 15.45 N ATOM 1559 CA ASP A 96 13.642 -30.331 -9.528 1.00 3.10 C ATOM 1560 C ASP A 96 13.145 -31.771 -9.383 1.00 54.01 C ATOM 1561 O ASP A 96 12.141 -32.017 -8.716 1.00 32.54 O ATOM 1562 CB ASP A 96 14.023 -29.706 -8.182 1.00 72.22 C ATOM 1563 CG ASP A 96 15.226 -30.400 -7.549 1.00 73.32 C ATOM 1564 OD1 ASP A 96 15.105 -30.783 -6.365 1.00 74.13 O ATOM 1565 OD2 ASP A 96 16.254 -30.512 -8.253 1.00 12.40 O ATOM 0 H ASP A 96 12.052 -28.987 -9.477 1.00 15.45 H new ATOM 0 HA ASP A 96 14.541 -30.343 -10.145 1.00 3.10 H new ATOM 0 HB2 ASP A 96 14.248 -28.649 -8.324 1.00 72.22 H new ATOM 0 HB3 ASP A 96 13.173 -29.763 -7.502 1.00 72.22 H new ATOM 1570 N ARG A 97 13.828 -32.710 -10.047 1.00 42.02 N ATOM 1571 CA ARG A 97 13.398 -34.095 -10.198 1.00 71.35 C ATOM 1572 C ARG A 97 13.948 -34.982 -9.077 1.00 2.02 C ATOM 1573 O ARG A 97 14.443 -36.079 -9.335 1.00 43.35 O ATOM 1574 CB ARG A 97 13.788 -34.604 -11.596 1.00 25.22 C ATOM 1575 CG ARG A 97 15.302 -34.577 -11.855 1.00 42.45 C ATOM 1576 CD ARG A 97 15.702 -33.391 -12.736 1.00 23.31 C ATOM 1577 NE ARG A 97 17.157 -33.211 -12.727 1.00 11.22 N ATOM 1578 CZ ARG A 97 17.802 -32.201 -13.332 1.00 13.42 C ATOM 1579 NH1 ARG A 97 17.132 -31.306 -14.073 1.00 43.31 N ATOM 1580 NH2 ARG A 97 19.130 -32.089 -13.190 1.00 14.33 N ATOM 0 H ARG A 97 14.719 -32.517 -10.505 1.00 42.02 H new ATOM 0 HA ARG A 97 12.313 -34.143 -10.110 1.00 71.35 H new ATOM 0 HB2 ARG A 97 13.424 -35.624 -11.717 1.00 25.22 H new ATOM 0 HB3 ARG A 97 13.287 -33.995 -12.349 1.00 25.22 H new ATOM 0 HG2 ARG A 97 15.833 -34.521 -10.905 1.00 42.45 H new ATOM 0 HG3 ARG A 97 15.606 -35.507 -12.336 1.00 42.45 H new ATOM 0 HD2 ARG A 97 15.357 -33.556 -13.757 1.00 23.31 H new ATOM 0 HD3 ARG A 97 15.215 -32.484 -12.378 1.00 23.31 H new ATOM 0 HE ARG A 97 17.718 -33.901 -12.227 1.00 11.22 H new ATOM 0 HH11 ARG A 97 16.121 -31.388 -14.182 1.00 43.31 H new ATOM 0 HH12 ARG A 97 17.633 -30.543 -14.528 1.00 43.31 H new ATOM 0 HH21 ARG A 97 19.642 -32.768 -12.626 1.00 14.33 H new ATOM 0 HH22 ARG A 97 19.629 -31.325 -13.646 1.00 14.33 H new