USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 40 GLN : amide:sc= -1.55 K(o=-1.7,f=-5.8!) USER MOD Set 1.2: A 50 ASN :FLIP amide:sc= -0.198 F(o=-2.8,f=-1.7) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -118:sc=-0.00417 (180deg=-0.258) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -165:sc= -0.515 (180deg=-0.863) USER MOD Set 3.2: A 82 GLN : amide:sc= 0 X(o=-0.51,f=-0.61) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 11 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.52) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0284) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.15 (180deg=-0.652) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -91:sc= 0.0416 USER MOD Single : A 42 MET CE :methyl 162:sc= -0.132 (180deg=-0.913) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.0785 K(o=-0.078,f=-6.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 54 GLN :FLIP amide:sc= -1.46 F(o=-2.3,f=-1.5) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.185 K(o=0.19,f=-1.3) USER MOD Single : A 65 CYS SG : rot 150:sc= -0.307 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.006) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.00397 (180deg=-0.105) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.051 7.789 -2.325 1.00 0.00 N ATOM 58 CA LYS A 2 15.796 8.557 -3.314 1.00 0.00 C ATOM 59 C LYS A 2 17.288 8.250 -3.231 1.00 0.00 C ATOM 60 O LYS A 2 17.725 7.479 -2.377 1.00 0.00 O ATOM 61 CB LYS A 2 15.561 10.055 -3.110 1.00 0.00 C ATOM 62 CG LYS A 2 14.446 10.619 -3.973 1.00 0.00 C ATOM 63 CD LYS A 2 13.666 11.699 -3.241 1.00 0.00 C ATOM 64 CE LYS A 2 12.539 11.106 -2.410 1.00 0.00 C ATOM 65 NZ LYS A 2 11.538 12.136 -2.017 1.00 0.00 N ATOM 0 HA LYS A 2 15.439 8.271 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.325 10.238 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.484 10.592 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.867 11.031 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.770 9.816 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.340 12.261 -2.594 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.255 12.405 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.045 10.318 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.953 10.642 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.936 11.762 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.030 12.988 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.948 12.378 -2.839 1.00 0.00 H new ATOM 79 N GLU A 3 18.064 8.860 -4.121 1.00 0.00 N ATOM 80 CA GLU A 3 19.507 8.652 -4.146 1.00 0.00 C ATOM 81 C GLU A 3 20.249 9.984 -4.179 1.00 0.00 C ATOM 82 O GLU A 3 19.765 10.962 -4.750 1.00 0.00 O ATOM 83 CB GLU A 3 19.902 7.805 -5.358 1.00 0.00 C ATOM 84 CG GLU A 3 19.661 8.498 -6.688 1.00 0.00 C ATOM 85 CD GLU A 3 18.192 8.563 -7.055 1.00 0.00 C ATOM 86 OE1 GLU A 3 17.419 7.713 -6.566 1.00 0.00 O ATOM 87 OE2 GLU A 3 17.814 9.465 -7.833 1.00 0.00 O ATOM 0 H GLU A 3 17.718 9.502 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 3 19.787 8.123 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.957 7.544 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.340 6.871 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.066 9.509 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.204 7.970 -7.472 1.00 0.00 H new ATOM 94 N ILE A 4 21.427 10.015 -3.564 1.00 0.00 N ATOM 95 CA ILE A 4 22.236 11.227 -3.524 1.00 0.00 C ATOM 96 C ILE A 4 23.467 11.096 -4.415 1.00 0.00 C ATOM 97 O ILE A 4 24.124 10.055 -4.433 1.00 0.00 O ATOM 98 CB ILE A 4 22.687 11.555 -2.089 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.264 12.970 -2.023 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.712 10.537 -1.610 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.742 13.036 -2.337 1.00 0.00 C ATOM 0 H ILE A 4 21.842 9.215 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 4 21.608 12.038 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 4 21.819 11.506 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.723 13.607 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.094 13.377 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.021 10.782 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.270 9.541 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.580 10.558 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.082 14.069 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.294 12.426 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.917 12.660 -3.345 1.00 0.00 H new ATOM 113 N ILE A 5 23.773 12.158 -5.151 1.00 0.00 N ATOM 114 CA ILE A 5 24.927 12.163 -6.042 1.00 0.00 C ATOM 115 C ILE A 5 25.731 13.450 -5.893 1.00 0.00 C ATOM 116 O ILE A 5 25.181 14.550 -5.956 1.00 0.00 O ATOM 117 CB ILE A 5 24.503 12.004 -7.514 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.316 11.044 -7.624 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.672 11.508 -8.351 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.783 10.902 -9.032 1.00 0.00 C ATOM 0 H ILE A 5 23.238 13.027 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 5 25.548 11.314 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 5 24.196 12.977 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.617 10.063 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.514 11.394 -6.974 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.357 11.401 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.491 12.225 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.007 10.543 -7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 5 21.943 10.207 -9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.450 11.874 -9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.571 10.522 -9.683 1.00 0.00 H new ATOM 132 N LEU A 6 27.037 13.306 -5.696 1.00 0.00 N ATOM 133 CA LEU A 6 27.919 14.457 -5.540 1.00 0.00 C ATOM 134 C LEU A 6 28.760 14.672 -6.794 1.00 0.00 C ATOM 135 O LEU A 6 29.507 13.787 -7.213 1.00 0.00 O ATOM 136 CB LEU A 6 28.831 14.264 -4.327 1.00 0.00 C ATOM 137 CG LEU A 6 29.661 12.980 -4.308 1.00 0.00 C ATOM 138 CD1 LEU A 6 31.063 13.242 -4.837 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.719 12.403 -2.901 1.00 0.00 C ATOM 0 H LEU A 6 27.508 12.403 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 6 27.300 15.340 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.512 15.114 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.216 14.288 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 6 29.180 12.250 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.639 12.317 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.003 13.608 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.554 13.989 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.314 11.490 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 6 30.176 13.129 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.709 12.176 -2.559 1.00 0.00 H new ATOM 151 N TYR A 7 28.636 15.854 -7.387 1.00 0.00 N ATOM 152 CA TYR A 7 29.385 16.186 -8.594 1.00 0.00 C ATOM 153 C TYR A 7 30.529 17.145 -8.278 1.00 0.00 C ATOM 154 O TYR A 7 30.306 18.302 -7.921 1.00 0.00 O ATOM 155 CB TYR A 7 28.458 16.808 -9.639 1.00 0.00 C ATOM 156 CG TYR A 7 27.402 15.857 -10.155 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.656 15.027 -11.240 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.150 15.786 -9.555 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.693 14.157 -11.714 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.182 14.918 -10.022 1.00 0.00 C ATOM 161 CZ TYR A 7 25.459 14.106 -11.102 1.00 0.00 C ATOM 162 OH TYR A 7 24.498 13.240 -11.571 1.00 0.00 O ATOM 0 H TYR A 7 28.024 16.598 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 7 29.807 15.264 -8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.969 17.680 -9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.057 17.163 -10.478 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.622 15.063 -11.721 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.930 16.420 -8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.906 13.520 -12.560 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.214 14.875 -9.544 1.00 0.00 H new ATOM 0 HH TYR A 7 23.686 13.327 -11.029 1.00 0.00 H new ATOM 172 N THR A 8 31.758 16.654 -8.413 1.00 0.00 N ATOM 173 CA THR A 8 32.938 17.464 -8.142 1.00 0.00 C ATOM 174 C THR A 8 34.217 16.682 -8.418 1.00 0.00 C ATOM 175 O THR A 8 34.171 15.513 -8.801 1.00 0.00 O ATOM 176 CB THR A 8 32.958 17.960 -6.683 1.00 0.00 C ATOM 177 OG1 THR A 8 32.016 17.217 -5.901 1.00 0.00 O ATOM 178 CG2 THR A 8 32.626 19.443 -6.611 1.00 0.00 C ATOM 0 H THR A 8 31.961 15.699 -8.709 1.00 0.00 H new ATOM 0 HA THR A 8 32.890 18.324 -8.809 1.00 0.00 H new ATOM 0 HB THR A 8 33.961 17.809 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.035 17.537 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.646 19.770 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.361 20.009 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.633 19.614 -7.026 1.00 0.00 H new ATOM 186 N ARG A 9 35.358 17.334 -8.220 1.00 0.00 N ATOM 187 CA ARG A 9 36.651 16.699 -8.448 1.00 0.00 C ATOM 188 C ARG A 9 37.128 15.971 -7.195 1.00 0.00 C ATOM 189 O ARG A 9 36.700 16.262 -6.078 1.00 0.00 O ATOM 190 CB ARG A 9 37.688 17.741 -8.872 1.00 0.00 C ATOM 191 CG ARG A 9 37.709 18.974 -7.984 1.00 0.00 C ATOM 192 CD ARG A 9 37.041 20.160 -8.662 1.00 0.00 C ATOM 193 NE ARG A 9 37.984 20.936 -9.462 1.00 0.00 N ATOM 194 CZ ARG A 9 37.745 22.171 -9.889 1.00 0.00 C ATOM 195 NH1 ARG A 9 36.598 22.767 -9.592 1.00 0.00 N ATOM 196 NH2 ARG A 9 38.653 22.813 -10.613 1.00 0.00 N ATOM 0 H ARG A 9 35.414 18.302 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 9 36.532 15.969 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.676 17.282 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.486 18.046 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.200 18.756 -7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.740 19.228 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.232 19.804 -9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.592 20.804 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 9 38.876 20.506 -9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.898 22.277 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.416 23.715 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.537 22.358 -10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 9 38.467 23.761 -10.940 1.00 0.00 H new ATOM 210 N PRO A 10 38.035 15.001 -7.383 1.00 0.00 N ATOM 211 CA PRO A 10 38.589 14.212 -6.279 1.00 0.00 C ATOM 212 C PRO A 10 39.510 15.034 -5.384 1.00 0.00 C ATOM 213 O PRO A 10 39.944 14.569 -4.331 1.00 0.00 O ATOM 214 CB PRO A 10 39.380 13.111 -6.992 1.00 0.00 C ATOM 215 CG PRO A 10 39.732 13.696 -8.317 1.00 0.00 C ATOM 216 CD PRO A 10 38.589 14.600 -8.687 1.00 0.00 C ATOM 0 HA PRO A 10 37.810 13.836 -5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.273 12.838 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.784 12.205 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.668 14.252 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.869 12.915 -9.065 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.928 15.462 -9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.848 14.082 -9.296 1.00 0.00 H new ATOM 224 N ASN A 11 39.803 16.258 -5.810 1.00 0.00 N ATOM 225 CA ASN A 11 40.673 17.145 -5.046 1.00 0.00 C ATOM 226 C ASN A 11 39.853 18.120 -4.206 1.00 0.00 C ATOM 227 O ASN A 11 40.265 19.258 -3.977 1.00 0.00 O ATOM 228 CB ASN A 11 41.600 17.919 -5.986 1.00 0.00 C ATOM 229 CG ASN A 11 42.878 18.363 -5.301 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.881 18.675 -4.110 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.972 18.394 -6.053 1.00 0.00 N ATOM 0 H ASN A 11 39.451 16.658 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 11 41.276 16.533 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.849 17.293 -6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.075 18.793 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.862 18.685 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.923 18.127 -7.036 1.00 0.00 H new ATOM 238 N CYS A 12 38.691 17.666 -3.749 1.00 0.00 N ATOM 239 CA CYS A 12 37.813 18.497 -2.934 1.00 0.00 C ATOM 240 C CYS A 12 37.815 18.030 -1.481 1.00 0.00 C ATOM 241 O CYS A 12 37.036 17.166 -1.079 1.00 0.00 O ATOM 242 CB CYS A 12 36.387 18.465 -3.489 1.00 0.00 C ATOM 243 SG CYS A 12 35.144 19.215 -2.388 1.00 0.00 S ATOM 0 H CYS A 12 38.335 16.727 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 12 38.187 19.520 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.369 18.985 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.107 17.430 -3.683 1.00 0.00 H new ATOM 248 N PRO A 13 38.713 18.615 -0.674 1.00 0.00 N ATOM 249 CA PRO A 13 38.839 18.275 0.747 1.00 0.00 C ATOM 250 C PRO A 13 37.644 18.754 1.565 1.00 0.00 C ATOM 251 O PRO A 13 37.296 18.153 2.582 1.00 0.00 O ATOM 252 CB PRO A 13 40.110 19.011 1.176 1.00 0.00 C ATOM 253 CG PRO A 13 40.231 20.148 0.221 1.00 0.00 C ATOM 254 CD PRO A 13 39.673 19.652 -1.085 1.00 0.00 C ATOM 0 HA PRO A 13 38.880 17.198 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.035 19.364 2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.981 18.358 1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.678 21.017 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.271 20.455 0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.186 20.452 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.454 19.245 -1.727 1.00 0.00 H new ATOM 262 N TYR A 14 37.021 19.837 1.116 1.00 0.00 N ATOM 263 CA TYR A 14 35.866 20.397 1.808 1.00 0.00 C ATOM 264 C TYR A 14 34.654 19.481 1.674 1.00 0.00 C ATOM 265 O TYR A 14 33.668 19.625 2.398 1.00 0.00 O ATOM 266 CB TYR A 14 35.536 21.784 1.253 1.00 0.00 C ATOM 267 CG TYR A 14 35.056 22.758 2.305 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.865 23.106 3.379 1.00 0.00 C ATOM 269 CD2 TYR A 14 33.792 23.331 2.224 1.00 0.00 C ATOM 270 CE1 TYR A 14 35.429 23.995 4.343 1.00 0.00 C ATOM 271 CE2 TYR A 14 33.349 24.222 3.182 1.00 0.00 C ATOM 272 CZ TYR A 14 34.171 24.550 4.240 1.00 0.00 C ATOM 273 OH TYR A 14 33.735 25.438 5.197 1.00 0.00 O ATOM 0 H TYR A 14 37.296 20.345 0.276 1.00 0.00 H new ATOM 0 HA TYR A 14 36.116 20.486 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 14 36.423 22.193 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.770 21.686 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 14 36.852 22.675 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 14 33.145 23.075 1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.070 24.254 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.365 24.659 3.103 1.00 0.00 H new ATOM 0 HH TYR A 14 32.828 25.737 4.977 1.00 0.00 H new ATOM 283 N CYS A 15 34.733 18.538 0.741 1.00 0.00 N ATOM 284 CA CYS A 15 33.644 17.596 0.510 1.00 0.00 C ATOM 285 C CYS A 15 33.466 16.665 1.706 1.00 0.00 C ATOM 286 O CYS A 15 32.402 16.076 1.896 1.00 0.00 O ATOM 287 CB CYS A 15 33.911 16.776 -0.754 1.00 0.00 C ATOM 288 SG CYS A 15 33.686 17.705 -2.305 1.00 0.00 S ATOM 0 H CYS A 15 35.541 18.406 0.132 1.00 0.00 H new ATOM 0 HA CYS A 15 32.725 18.167 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.931 16.393 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.246 15.912 -0.761 1.00 0.00 H new ATOM 293 N LYS A 16 34.516 16.538 2.510 1.00 0.00 N ATOM 294 CA LYS A 16 34.478 15.681 3.689 1.00 0.00 C ATOM 295 C LYS A 16 33.209 15.927 4.499 1.00 0.00 C ATOM 296 O LYS A 16 32.661 15.006 5.106 1.00 0.00 O ATOM 297 CB LYS A 16 35.709 15.925 4.563 1.00 0.00 C ATOM 298 CG LYS A 16 35.601 17.166 5.434 1.00 0.00 C ATOM 299 CD LYS A 16 36.962 17.609 5.945 1.00 0.00 C ATOM 300 CE LYS A 16 37.505 16.647 6.990 1.00 0.00 C ATOM 301 NZ LYS A 16 36.813 16.802 8.299 1.00 0.00 N ATOM 0 H LYS A 16 35.404 17.018 2.366 1.00 0.00 H new ATOM 0 HA LYS A 16 34.479 14.644 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.869 15.056 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.586 16.016 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.145 17.974 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 16 34.943 16.963 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.661 17.675 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 16 36.883 18.608 6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.388 15.623 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.573 16.819 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.288 16.216 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 36.844 17.799 8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 35.822 16.499 8.206 1.00 0.00 H new ATOM 315 N ARG A 17 32.747 17.173 4.504 1.00 0.00 N ATOM 316 CA ARG A 17 31.543 17.539 5.239 1.00 0.00 C ATOM 317 C ARG A 17 30.327 16.793 4.698 1.00 0.00 C ATOM 318 O ARG A 17 29.613 16.124 5.445 1.00 0.00 O ATOM 319 CB ARG A 17 31.307 19.048 5.156 1.00 0.00 C ATOM 320 CG ARG A 17 32.265 19.862 6.010 1.00 0.00 C ATOM 321 CD ARG A 17 31.658 21.199 6.408 1.00 0.00 C ATOM 322 NE ARG A 17 32.609 22.037 7.134 1.00 0.00 N ATOM 323 CZ ARG A 17 32.899 21.873 8.420 1.00 0.00 C ATOM 324 NH1 ARG A 17 32.316 20.908 9.118 1.00 0.00 N ATOM 325 NH2 ARG A 17 33.775 22.677 9.011 1.00 0.00 N ATOM 0 H ARG A 17 33.189 17.946 4.007 1.00 0.00 H new ATOM 0 HA ARG A 17 31.686 17.257 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.400 19.365 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.284 19.265 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.525 19.298 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.191 20.031 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.320 21.724 5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 17 30.778 21.028 7.029 1.00 0.00 H new ATOM 0 HE ARG A 17 33.076 22.789 6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 17 31.642 20.288 8.668 1.00 0.00 H new ATOM 0 HH12 ARG A 17 32.541 20.785 10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.225 23.421 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 17 33.998 22.551 9.998 1.00 0.00 H new ATOM 339 N ALA A 18 30.098 16.913 3.394 1.00 0.00 N ATOM 340 CA ALA A 18 28.970 16.249 2.752 1.00 0.00 C ATOM 341 C ALA A 18 29.069 14.735 2.899 1.00 0.00 C ATOM 342 O ALA A 18 28.159 14.091 3.422 1.00 0.00 O ATOM 343 CB ALA A 18 28.896 16.636 1.283 1.00 0.00 C ATOM 0 H ALA A 18 30.679 17.464 2.762 1.00 0.00 H new ATOM 0 HA ALA A 18 28.056 16.577 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.049 16.133 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.769 17.715 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.817 16.338 0.781 1.00 0.00 H new ATOM 349 N ARG A 19 30.178 14.171 2.433 1.00 0.00 N ATOM 350 CA ARG A 19 30.395 12.731 2.510 1.00 0.00 C ATOM 351 C ARG A 19 30.209 12.230 3.939 1.00 0.00 C ATOM 352 O ARG A 19 29.769 11.101 4.159 1.00 0.00 O ATOM 353 CB ARG A 19 31.797 12.377 2.012 1.00 0.00 C ATOM 354 CG ARG A 19 32.876 12.528 3.072 1.00 0.00 C ATOM 355 CD ARG A 19 34.254 12.212 2.513 1.00 0.00 C ATOM 356 NE ARG A 19 35.179 11.770 3.553 1.00 0.00 N ATOM 357 CZ ARG A 19 36.478 11.582 3.350 1.00 0.00 C ATOM 358 NH1 ARG A 19 37.003 11.796 2.152 1.00 0.00 N ATOM 359 NH2 ARG A 19 37.255 11.178 4.347 1.00 0.00 N ATOM 0 H ARG A 19 30.941 14.689 1.998 1.00 0.00 H new ATOM 0 HA ARG A 19 29.658 12.243 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.796 11.349 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.043 13.013 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.865 13.546 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.661 11.864 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.167 11.437 1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.657 13.097 2.022 1.00 0.00 H new ATOM 0 HE ARG A 19 34.807 11.596 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.409 12.106 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 19 38.001 11.651 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.855 11.012 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.252 11.034 4.190 1.00 0.00 H new ATOM 373 N ASP A 20 30.548 13.076 4.906 1.00 0.00 N ATOM 374 CA ASP A 20 30.418 12.719 6.314 1.00 0.00 C ATOM 375 C ASP A 20 28.951 12.667 6.729 1.00 0.00 C ATOM 376 O ASP A 20 28.538 11.783 7.481 1.00 0.00 O ATOM 377 CB ASP A 20 31.172 13.722 7.188 1.00 0.00 C ATOM 378 CG ASP A 20 30.842 13.571 8.660 1.00 0.00 C ATOM 379 OD1 ASP A 20 30.928 12.436 9.173 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.497 14.588 9.298 1.00 0.00 O ATOM 0 H ASP A 20 30.915 14.013 4.741 1.00 0.00 H new ATOM 0 HA ASP A 20 30.852 11.729 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.244 13.591 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.929 14.735 6.866 1.00 0.00 H new ATOM 385 N LEU A 21 28.167 13.619 6.234 1.00 0.00 N ATOM 386 CA LEU A 21 26.746 13.682 6.554 1.00 0.00 C ATOM 387 C LEU A 21 26.020 12.436 6.058 1.00 0.00 C ATOM 388 O LEU A 21 25.209 11.849 6.776 1.00 0.00 O ATOM 389 CB LEU A 21 26.119 14.932 5.933 1.00 0.00 C ATOM 390 CG LEU A 21 24.946 15.546 6.699 1.00 0.00 C ATOM 391 CD1 LEU A 21 23.939 14.473 7.082 1.00 0.00 C ATOM 392 CD2 LEU A 21 25.443 16.280 7.936 1.00 0.00 C ATOM 0 H LEU A 21 28.492 14.357 5.610 1.00 0.00 H new ATOM 0 HA LEU A 21 26.645 13.731 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.895 15.690 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 25.780 14.683 4.928 1.00 0.00 H new ATOM 0 HG LEU A 21 24.449 16.266 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.112 14.928 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 21 23.559 13.992 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.423 13.729 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 21 24.595 16.711 8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 21 25.965 15.580 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 21 26.126 17.076 7.637 1.00 0.00 H new ATOM 404 N LEU A 22 26.317 12.035 4.827 1.00 0.00 N ATOM 405 CA LEU A 22 25.695 10.855 4.235 1.00 0.00 C ATOM 406 C LEU A 22 26.172 9.583 4.927 1.00 0.00 C ATOM 407 O LEU A 22 25.365 8.749 5.341 1.00 0.00 O ATOM 408 CB LEU A 22 26.010 10.785 2.740 1.00 0.00 C ATOM 409 CG LEU A 22 25.959 12.111 1.980 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.572 11.957 0.597 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.526 12.613 1.877 1.00 0.00 C ATOM 0 H LEU A 22 26.985 12.509 4.219 1.00 0.00 H new ATOM 0 HA LEU A 22 24.616 10.937 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.005 10.358 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.308 10.094 2.273 1.00 0.00 H new ATOM 0 HG LEU A 22 26.541 12.847 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.527 12.911 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.612 11.644 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.017 11.206 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.510 13.557 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.920 11.878 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.120 12.763 2.877 1.00 0.00 H new ATOM 423 N ASP A 23 27.487 9.440 5.052 1.00 0.00 N ATOM 424 CA ASP A 23 28.071 8.271 5.697 1.00 0.00 C ATOM 425 C ASP A 23 27.622 8.171 7.152 1.00 0.00 C ATOM 426 O ASP A 23 27.569 7.082 7.724 1.00 0.00 O ATOM 427 CB ASP A 23 29.598 8.331 5.625 1.00 0.00 C ATOM 428 CG ASP A 23 30.249 7.020 6.017 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.898 5.981 5.419 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.109 7.031 6.923 1.00 0.00 O ATOM 0 H ASP A 23 28.169 10.120 4.715 1.00 0.00 H new ATOM 0 HA ASP A 23 27.724 7.384 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.901 8.595 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.959 9.123 6.282 1.00 0.00 H new ATOM 435 N LYS A 24 27.300 9.315 7.746 1.00 0.00 N ATOM 436 CA LYS A 24 26.855 9.359 9.134 1.00 0.00 C ATOM 437 C LYS A 24 25.403 8.910 9.254 1.00 0.00 C ATOM 438 O LYS A 24 25.039 8.189 10.184 1.00 0.00 O ATOM 439 CB LYS A 24 27.011 10.773 9.697 1.00 0.00 C ATOM 440 CG LYS A 24 26.507 10.920 11.122 1.00 0.00 C ATOM 441 CD LYS A 24 25.087 11.461 11.158 1.00 0.00 C ATOM 442 CE LYS A 24 24.722 11.975 12.542 1.00 0.00 C ATOM 443 NZ LYS A 24 23.524 12.859 12.507 1.00 0.00 N ATOM 0 H LYS A 24 27.339 10.225 7.287 1.00 0.00 H new ATOM 0 HA LYS A 24 27.477 8.675 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.063 11.055 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.473 11.471 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.542 9.952 11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.166 11.589 11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.985 12.267 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.390 10.676 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 24 24.531 11.131 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.566 12.524 12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.308 13.189 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.715 13.678 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.712 12.328 12.132 1.00 0.00 H new ATOM 457 N LYS A 25 24.576 9.338 8.306 1.00 0.00 N ATOM 458 CA LYS A 25 23.163 8.979 8.303 1.00 0.00 C ATOM 459 C LYS A 25 22.977 7.507 7.949 1.00 0.00 C ATOM 460 O LYS A 25 22.046 6.857 8.423 1.00 0.00 O ATOM 461 CB LYS A 25 22.394 9.854 7.311 1.00 0.00 C ATOM 462 CG LYS A 25 21.585 10.956 7.971 1.00 0.00 C ATOM 463 CD LYS A 25 22.449 11.815 8.879 1.00 0.00 C ATOM 464 CE LYS A 25 21.629 12.891 9.574 1.00 0.00 C ATOM 465 NZ LYS A 25 20.668 12.311 10.552 1.00 0.00 N ATOM 0 H LYS A 25 24.861 9.935 7.529 1.00 0.00 H new ATOM 0 HA LYS A 25 22.770 9.147 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.100 10.302 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.724 9.223 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.127 11.581 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.773 10.516 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.932 11.185 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.242 12.281 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.297 13.582 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.084 13.470 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.696 12.543 10.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.783 11.278 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.853 12.706 11.496 1.00 0.00 H new ATOM 479 N GLY A 26 23.870 6.986 7.114 1.00 0.00 N ATOM 480 CA GLY A 26 23.787 5.594 6.712 1.00 0.00 C ATOM 481 C GLY A 26 23.107 5.418 5.369 1.00 0.00 C ATOM 482 O GLY A 26 22.133 4.674 5.251 1.00 0.00 O ATOM 0 H GLY A 26 24.650 7.503 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.791 5.172 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.240 5.032 7.469 1.00 0.00 H new ATOM 486 N VAL A 27 23.619 6.105 4.353 1.00 0.00 N ATOM 487 CA VAL A 27 23.054 6.021 3.011 1.00 0.00 C ATOM 488 C VAL A 27 24.133 5.719 1.978 1.00 0.00 C ATOM 489 O VAL A 27 25.319 5.654 2.303 1.00 0.00 O ATOM 490 CB VAL A 27 22.337 7.327 2.622 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.907 7.327 3.140 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.103 8.532 3.148 1.00 0.00 C ATOM 0 H VAL A 27 24.424 6.726 4.433 1.00 0.00 H new ATOM 0 HA VAL A 27 22.329 5.207 3.023 1.00 0.00 H new ATOM 0 HB VAL A 27 22.304 7.392 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.417 8.258 2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.364 6.485 2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.914 7.238 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.582 9.446 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.170 8.475 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.107 8.539 2.723 1.00 0.00 H new ATOM 502 N LYS A 28 23.715 5.535 0.730 1.00 0.00 N ATOM 503 CA LYS A 28 24.645 5.242 -0.353 1.00 0.00 C ATOM 504 C LYS A 28 24.746 6.419 -1.318 1.00 0.00 C ATOM 505 O LYS A 28 23.828 6.674 -2.098 1.00 0.00 O ATOM 506 CB LYS A 28 24.202 3.986 -1.108 1.00 0.00 C ATOM 507 CG LYS A 28 25.133 2.802 -0.919 1.00 0.00 C ATOM 508 CD LYS A 28 24.598 1.832 0.121 1.00 0.00 C ATOM 509 CE LYS A 28 23.460 0.990 -0.437 1.00 0.00 C ATOM 510 NZ LYS A 28 23.893 0.176 -1.606 1.00 0.00 N ATOM 0 H LYS A 28 22.737 5.584 0.444 1.00 0.00 H new ATOM 0 HA LYS A 28 25.628 5.068 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.202 3.707 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.133 4.217 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.261 2.284 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.117 3.157 -0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.403 1.180 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.249 2.386 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.080 0.331 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.638 1.641 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.238 -0.621 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.891 0.768 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.853 -0.188 -1.439 1.00 0.00 H new ATOM 524 N TYR A 29 25.865 7.131 -1.260 1.00 0.00 N ATOM 525 CA TYR A 29 26.085 8.282 -2.129 1.00 0.00 C ATOM 526 C TYR A 29 26.974 7.911 -3.311 1.00 0.00 C ATOM 527 O TYR A 29 27.896 7.104 -3.182 1.00 0.00 O ATOM 528 CB TYR A 29 26.718 9.429 -1.340 1.00 0.00 C ATOM 529 CG TYR A 29 28.144 9.157 -0.915 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.209 9.462 -1.753 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.425 8.594 0.323 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.513 9.215 -1.370 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.726 8.345 0.715 1.00 0.00 C ATOM 534 CZ TYR A 29 30.767 8.657 -0.135 1.00 0.00 C ATOM 535 OH TYR A 29 32.064 8.409 0.251 1.00 0.00 O ATOM 0 H TYR A 29 26.634 6.932 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 29 25.118 8.605 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.695 10.333 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.115 9.626 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.014 9.900 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.613 8.347 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.329 9.458 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.927 7.908 1.682 1.00 0.00 H new ATOM 0 HH TYR A 29 32.069 8.016 1.149 1.00 0.00 H new ATOM 545 N THR A 30 26.692 8.506 -4.466 1.00 0.00 N ATOM 546 CA THR A 30 27.465 8.239 -5.672 1.00 0.00 C ATOM 547 C THR A 30 28.431 9.380 -5.970 1.00 0.00 C ATOM 548 O THR A 30 28.022 10.533 -6.105 1.00 0.00 O ATOM 549 CB THR A 30 26.547 8.027 -6.891 1.00 0.00 C ATOM 550 OG1 THR A 30 25.749 6.853 -6.705 1.00 0.00 O ATOM 551 CG2 THR A 30 27.365 7.893 -8.167 1.00 0.00 C ATOM 0 H THR A 30 25.933 9.176 -4.591 1.00 0.00 H new ATOM 0 HA THR A 30 28.031 7.326 -5.489 1.00 0.00 H new ATOM 0 HB THR A 30 25.897 8.897 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.167 6.726 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.696 7.744 -9.014 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.950 8.800 -8.321 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.037 7.039 -8.081 1.00 0.00 H new ATOM 559 N ASP A 31 29.714 9.050 -6.072 1.00 0.00 N ATOM 560 CA ASP A 31 30.739 10.048 -6.357 1.00 0.00 C ATOM 561 C ASP A 31 30.904 10.244 -7.860 1.00 0.00 C ATOM 562 O ASP A 31 31.112 9.284 -8.602 1.00 0.00 O ATOM 563 CB ASP A 31 32.073 9.631 -5.735 1.00 0.00 C ATOM 564 CG ASP A 31 33.244 10.410 -6.301 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.431 11.576 -5.897 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.973 9.853 -7.149 1.00 0.00 O ATOM 0 H ASP A 31 30.069 8.100 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 31 30.422 10.994 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.029 9.779 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.233 8.566 -5.905 1.00 0.00 H new ATOM 571 N ILE A 32 30.809 11.494 -8.303 1.00 0.00 N ATOM 572 CA ILE A 32 30.947 11.815 -9.718 1.00 0.00 C ATOM 573 C ILE A 32 32.158 12.710 -9.962 1.00 0.00 C ATOM 574 O ILE A 32 32.243 13.815 -9.427 1.00 0.00 O ATOM 575 CB ILE A 32 29.688 12.514 -10.262 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.441 11.689 -9.941 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.812 12.736 -11.762 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.363 10.387 -10.709 1.00 0.00 C ATOM 0 H ILE A 32 30.637 12.300 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 32 31.084 10.870 -10.245 1.00 0.00 H new ATOM 0 HB ILE A 32 29.592 13.486 -9.778 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.423 11.473 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.555 12.285 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.914 13.231 -12.132 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.681 13.361 -11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.929 11.775 -12.264 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.453 9.855 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.349 10.596 -11.779 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.231 9.772 -10.471 1.00 0.00 H new ATOM 590 N ASP A 33 33.091 12.225 -10.774 1.00 0.00 N ATOM 591 CA ASP A 33 34.296 12.981 -11.092 1.00 0.00 C ATOM 592 C ASP A 33 33.946 14.294 -11.787 1.00 0.00 C ATOM 593 O ASP A 33 33.010 14.355 -12.583 1.00 0.00 O ATOM 594 CB ASP A 33 35.225 12.152 -11.980 1.00 0.00 C ATOM 595 CG ASP A 33 35.938 11.058 -11.210 1.00 0.00 C ATOM 596 OD1 ASP A 33 35.438 10.668 -10.133 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.994 10.591 -11.683 1.00 0.00 O ATOM 0 H ASP A 33 33.036 11.311 -11.224 1.00 0.00 H new ATOM 0 HA ASP A 33 34.808 13.210 -10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.647 11.705 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.963 12.808 -12.441 1.00 0.00 H new ATOM 602 N ALA A 34 34.704 15.341 -11.479 1.00 0.00 N ATOM 603 CA ALA A 34 34.475 16.652 -12.074 1.00 0.00 C ATOM 604 C ALA A 34 34.606 16.596 -13.593 1.00 0.00 C ATOM 605 O ALA A 34 34.133 17.486 -14.299 1.00 0.00 O ATOM 606 CB ALA A 34 35.445 17.671 -11.496 1.00 0.00 C ATOM 0 H ALA A 34 35.482 15.307 -10.821 1.00 0.00 H new ATOM 0 HA ALA A 34 33.457 16.959 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.262 18.645 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.301 17.740 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.468 17.359 -11.706 1.00 0.00 H new ATOM 612 N SER A 35 35.251 15.544 -14.088 1.00 0.00 N ATOM 613 CA SER A 35 35.448 15.375 -15.523 1.00 0.00 C ATOM 614 C SER A 35 34.137 15.572 -16.278 1.00 0.00 C ATOM 615 O SER A 35 33.211 14.769 -16.159 1.00 0.00 O ATOM 616 CB SER A 35 36.018 13.986 -15.820 1.00 0.00 C ATOM 617 OG SER A 35 36.986 13.615 -14.855 1.00 0.00 O ATOM 0 H SER A 35 35.646 14.797 -13.517 1.00 0.00 H new ATOM 0 HA SER A 35 36.158 16.131 -15.860 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.211 13.253 -15.831 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.468 13.979 -16.813 1.00 0.00 H new ATOM 0 HG SER A 35 37.333 12.723 -15.066 1.00 0.00 H new ATOM 623 N THR A 36 34.066 16.647 -17.057 1.00 0.00 N ATOM 624 CA THR A 36 32.870 16.952 -17.831 1.00 0.00 C ATOM 625 C THR A 36 32.560 15.838 -18.825 1.00 0.00 C ATOM 626 O THR A 36 31.413 15.663 -19.238 1.00 0.00 O ATOM 627 CB THR A 36 33.019 18.280 -18.596 1.00 0.00 C ATOM 628 OG1 THR A 36 34.200 18.249 -19.406 1.00 0.00 O ATOM 629 CG2 THR A 36 33.090 19.455 -17.632 1.00 0.00 C ATOM 0 H THR A 36 34.823 17.321 -17.168 1.00 0.00 H new ATOM 0 HA THR A 36 32.048 17.041 -17.121 1.00 0.00 H new ATOM 0 HB THR A 36 32.144 18.406 -19.234 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.287 19.096 -19.891 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.195 20.382 -18.196 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.177 19.493 -17.037 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.948 19.332 -16.972 1.00 0.00 H new ATOM 637 N SER A 37 33.588 15.087 -19.205 1.00 0.00 N ATOM 638 CA SER A 37 33.426 13.991 -20.153 1.00 0.00 C ATOM 639 C SER A 37 32.264 13.089 -19.747 1.00 0.00 C ATOM 640 O SER A 37 31.591 12.504 -20.596 1.00 0.00 O ATOM 641 CB SER A 37 34.714 13.172 -20.244 1.00 0.00 C ATOM 642 OG SER A 37 35.409 13.175 -19.009 1.00 0.00 O ATOM 0 H SER A 37 34.543 15.217 -18.871 1.00 0.00 H new ATOM 0 HA SER A 37 33.207 14.419 -21.131 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.477 12.147 -20.529 1.00 0.00 H new ATOM 0 HB3 SER A 37 35.354 13.581 -21.026 1.00 0.00 H new ATOM 0 HG SER A 37 36.044 13.921 -18.993 1.00 0.00 H new ATOM 648 N LEU A 38 32.035 12.982 -18.443 1.00 0.00 N ATOM 649 CA LEU A 38 30.955 12.151 -17.922 1.00 0.00 C ATOM 650 C LEU A 38 30.021 12.967 -17.033 1.00 0.00 C ATOM 651 O LEU A 38 28.808 12.753 -17.029 1.00 0.00 O ATOM 652 CB LEU A 38 31.526 10.972 -17.133 1.00 0.00 C ATOM 653 CG LEU A 38 31.827 9.708 -17.939 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.552 9.150 -18.552 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.859 9.997 -19.019 1.00 0.00 C ATOM 0 H LEU A 38 32.582 13.460 -17.727 1.00 0.00 H new ATOM 0 HA LEU A 38 30.383 11.771 -18.768 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.446 11.297 -16.648 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.822 10.715 -16.342 1.00 0.00 H new ATOM 0 HG LEU A 38 32.239 8.958 -17.263 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.786 8.251 -19.122 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.845 8.904 -17.760 1.00 0.00 H new ATOM 0 HD13 LEU A 38 30.110 9.895 -19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.061 9.086 -19.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.476 10.763 -19.693 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.781 10.349 -18.556 1.00 0.00 H new ATOM 667 N ARG A 39 30.593 13.904 -16.285 1.00 0.00 N ATOM 668 CA ARG A 39 29.812 14.753 -15.393 1.00 0.00 C ATOM 669 C ARG A 39 28.802 15.583 -16.180 1.00 0.00 C ATOM 670 O ARG A 39 27.651 15.731 -15.769 1.00 0.00 O ATOM 671 CB ARG A 39 30.734 15.675 -14.594 1.00 0.00 C ATOM 672 CG ARG A 39 30.035 16.395 -13.453 1.00 0.00 C ATOM 673 CD ARG A 39 30.437 17.860 -13.388 1.00 0.00 C ATOM 674 NE ARG A 39 29.963 18.609 -14.549 1.00 0.00 N ATOM 675 CZ ARG A 39 30.489 19.763 -14.944 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.502 20.297 -14.275 1.00 0.00 N ATOM 677 NH2 ARG A 39 30.003 20.385 -16.010 1.00 0.00 N ATOM 0 H ARG A 39 31.595 14.095 -16.279 1.00 0.00 H new ATOM 0 HA ARG A 39 29.268 14.109 -14.702 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.560 15.089 -14.191 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.167 16.414 -15.268 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.955 16.318 -13.580 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.280 15.907 -12.509 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.034 18.307 -12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.523 17.936 -13.326 1.00 0.00 H new ATOM 0 HE ARG A 39 29.185 18.225 -15.086 1.00 0.00 H new ATOM 0 HH11 ARG A 39 31.879 19.821 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.904 21.183 -14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.224 19.977 -16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 39 30.408 21.271 -16.312 1.00 0.00 H new ATOM 691 N GLN A 40 29.241 16.122 -17.313 1.00 0.00 N ATOM 692 CA GLN A 40 28.376 16.938 -18.156 1.00 0.00 C ATOM 693 C GLN A 40 27.141 16.154 -18.590 1.00 0.00 C ATOM 694 O GLN A 40 26.042 16.702 -18.666 1.00 0.00 O ATOM 695 CB GLN A 40 29.141 17.428 -19.386 1.00 0.00 C ATOM 696 CG GLN A 40 28.582 18.711 -19.979 1.00 0.00 C ATOM 697 CD GLN A 40 27.683 18.459 -21.173 1.00 0.00 C ATOM 698 OE1 GLN A 40 27.054 17.406 -21.280 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.617 19.427 -22.080 1.00 0.00 N ATOM 0 H GLN A 40 30.190 16.008 -17.668 1.00 0.00 H new ATOM 0 HA GLN A 40 28.051 17.799 -17.572 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.185 17.588 -19.115 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.125 16.648 -20.148 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.021 19.246 -19.213 1.00 0.00 H new ATOM 0 HG3 GLN A 40 29.407 19.357 -20.280 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.155 20.284 -21.952 1.00 0.00 H new ATOM 0 HE22 GLN A 40 27.028 19.314 -22.905 1.00 0.00 H new ATOM 708 N GLU A 41 27.332 14.869 -18.873 1.00 0.00 N ATOM 709 CA GLU A 41 26.233 14.011 -19.300 1.00 0.00 C ATOM 710 C GLU A 41 25.277 13.734 -18.143 1.00 0.00 C ATOM 711 O GLU A 41 24.067 13.920 -18.267 1.00 0.00 O ATOM 712 CB GLU A 41 26.774 12.692 -19.856 1.00 0.00 C ATOM 713 CG GLU A 41 28.003 12.859 -20.733 1.00 0.00 C ATOM 714 CD GLU A 41 28.214 11.687 -21.671 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.358 10.549 -21.177 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.236 11.908 -22.900 1.00 0.00 O ATOM 0 H GLU A 41 28.236 14.400 -18.814 1.00 0.00 H new ATOM 0 HA GLU A 41 25.684 14.531 -20.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.018 12.030 -19.025 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.990 12.202 -20.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.906 13.774 -21.317 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.883 12.976 -20.100 1.00 0.00 H new ATOM 723 N MET A 42 25.830 13.289 -17.020 1.00 0.00 N ATOM 724 CA MET A 42 25.027 12.987 -15.841 1.00 0.00 C ATOM 725 C MET A 42 24.258 14.220 -15.376 1.00 0.00 C ATOM 726 O MET A 42 23.044 14.168 -15.177 1.00 0.00 O ATOM 727 CB MET A 42 25.918 12.472 -14.709 1.00 0.00 C ATOM 728 CG MET A 42 26.047 10.957 -14.678 1.00 0.00 C ATOM 729 SD MET A 42 27.277 10.341 -15.843 1.00 0.00 S ATOM 730 CE MET A 42 28.651 10.013 -14.743 1.00 0.00 C ATOM 0 H MET A 42 26.830 13.130 -16.901 1.00 0.00 H new ATOM 0 HA MET A 42 24.309 12.212 -16.110 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.911 12.911 -14.811 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.514 12.814 -13.756 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.316 10.640 -13.670 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.080 10.509 -14.906 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.359 9.345 -15.234 1.00 0.00 H new ATOM 0 HE2 MET A 42 29.149 10.950 -14.494 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.283 9.544 -13.830 1.00 0.00 H new ATOM 740 N VAL A 43 24.972 15.328 -15.205 1.00 0.00 N ATOM 741 CA VAL A 43 24.356 16.574 -14.765 1.00 0.00 C ATOM 742 C VAL A 43 23.327 17.066 -15.777 1.00 0.00 C ATOM 743 O VAL A 43 22.298 17.630 -15.406 1.00 0.00 O ATOM 744 CB VAL A 43 25.411 17.675 -14.546 1.00 0.00 C ATOM 745 CG1 VAL A 43 26.009 18.113 -15.874 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.800 18.858 -13.810 1.00 0.00 C ATOM 0 H VAL A 43 25.978 15.388 -15.365 1.00 0.00 H new ATOM 0 HA VAL A 43 23.859 16.364 -13.818 1.00 0.00 H new ATOM 0 HB VAL A 43 26.214 17.269 -13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.752 18.891 -15.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.484 17.260 -16.358 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.220 18.503 -16.517 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.559 19.627 -13.663 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.978 19.267 -14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.425 18.529 -12.841 1.00 0.00 H new ATOM 756 N GLN A 44 23.612 16.847 -17.057 1.00 0.00 N ATOM 757 CA GLN A 44 22.711 17.268 -18.123 1.00 0.00 C ATOM 758 C GLN A 44 21.357 16.578 -17.995 1.00 0.00 C ATOM 759 O GLN A 44 20.312 17.230 -18.021 1.00 0.00 O ATOM 760 CB GLN A 44 23.325 16.962 -19.490 1.00 0.00 C ATOM 761 CG GLN A 44 22.295 16.685 -20.572 1.00 0.00 C ATOM 762 CD GLN A 44 22.800 17.024 -21.960 1.00 0.00 C ATOM 763 OE1 GLN A 44 23.482 16.221 -22.599 1.00 0.00 O ATOM 764 NE2 GLN A 44 22.468 18.218 -22.436 1.00 0.00 N ATOM 0 H GLN A 44 24.459 16.381 -17.381 1.00 0.00 H new ATOM 0 HA GLN A 44 22.561 18.344 -18.033 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.945 17.804 -19.797 1.00 0.00 H new ATOM 0 HB3 GLN A 44 23.984 16.099 -19.398 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.014 15.632 -20.539 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.394 17.263 -20.367 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.901 18.852 -21.873 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.780 18.501 -23.365 1.00 0.00 H new ATOM 773 N ARG A 45 21.382 15.257 -17.858 1.00 0.00 N ATOM 774 CA ARG A 45 20.156 14.479 -17.727 1.00 0.00 C ATOM 775 C ARG A 45 19.637 14.518 -16.293 1.00 0.00 C ATOM 776 O ARG A 45 18.516 14.092 -16.016 1.00 0.00 O ATOM 777 CB ARG A 45 20.399 13.030 -18.154 1.00 0.00 C ATOM 778 CG ARG A 45 19.891 12.713 -19.551 1.00 0.00 C ATOM 779 CD ARG A 45 21.018 12.733 -20.571 1.00 0.00 C ATOM 780 NE ARG A 45 20.843 11.713 -21.602 1.00 0.00 N ATOM 781 CZ ARG A 45 19.985 11.826 -22.609 1.00 0.00 C ATOM 782 NH1 ARG A 45 19.228 12.909 -22.721 1.00 0.00 N ATOM 783 NH2 ARG A 45 19.883 10.855 -23.507 1.00 0.00 N ATOM 0 H ARG A 45 22.238 14.703 -17.835 1.00 0.00 H new ATOM 0 HA ARG A 45 19.403 14.922 -18.379 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.468 12.821 -18.109 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.914 12.364 -17.440 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.415 11.733 -19.552 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.128 13.438 -19.835 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.066 13.716 -21.039 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.969 12.575 -20.063 1.00 0.00 H new ATOM 0 HE ARG A 45 21.411 10.868 -21.545 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.304 13.658 -22.033 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.570 12.993 -23.496 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.464 10.021 -23.424 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.224 10.943 -24.280 1.00 0.00 H new ATOM 797 N ALA A 46 20.460 15.031 -15.385 1.00 0.00 N ATOM 798 CA ALA A 46 20.084 15.127 -13.980 1.00 0.00 C ATOM 799 C ALA A 46 19.159 16.316 -13.740 1.00 0.00 C ATOM 800 O ALA A 46 18.177 16.212 -13.006 1.00 0.00 O ATOM 801 CB ALA A 46 21.326 15.237 -13.108 1.00 0.00 C ATOM 0 H ALA A 46 21.392 15.387 -15.597 1.00 0.00 H new ATOM 0 HA ALA A 46 19.544 14.220 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.031 15.308 -12.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.950 14.354 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.889 16.128 -13.387 1.00 0.00 H new ATOM 807 N ASN A 47 19.481 17.445 -14.363 1.00 0.00 N ATOM 808 CA ASN A 47 18.679 18.654 -14.215 1.00 0.00 C ATOM 809 C ASN A 47 18.015 19.032 -15.536 1.00 0.00 C ATOM 810 O ASN A 47 16.868 19.476 -15.562 1.00 0.00 O ATOM 811 CB ASN A 47 19.549 19.811 -13.719 1.00 0.00 C ATOM 812 CG ASN A 47 20.327 20.472 -14.841 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.762 21.198 -15.659 1.00 0.00 O ATOM 814 ND2 ASN A 47 21.630 20.221 -14.885 1.00 0.00 N ATOM 0 H ASN A 47 20.291 17.548 -14.975 1.00 0.00 H new ATOM 0 HA ASN A 47 17.899 18.454 -13.481 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.917 20.554 -13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.245 19.442 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.205 20.636 -15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.056 19.613 -14.186 1.00 0.00 H new ATOM 821 N GLY A 48 18.746 18.851 -16.632 1.00 0.00 N ATOM 822 CA GLY A 48 18.212 19.177 -17.941 1.00 0.00 C ATOM 823 C GLY A 48 19.281 19.673 -18.896 1.00 0.00 C ATOM 824 O GLY A 48 19.285 19.313 -20.073 1.00 0.00 O ATOM 0 H GLY A 48 19.698 18.485 -16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.732 18.295 -18.364 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.441 19.940 -17.836 1.00 0.00 H new ATOM 828 N ARG A 49 20.187 20.502 -18.388 1.00 0.00 N ATOM 829 CA ARG A 49 21.263 21.050 -19.205 1.00 0.00 C ATOM 830 C ARG A 49 22.558 21.147 -18.404 1.00 0.00 C ATOM 831 O ARG A 49 22.536 21.374 -17.195 1.00 0.00 O ATOM 832 CB ARG A 49 20.876 22.430 -19.738 1.00 0.00 C ATOM 833 CG ARG A 49 21.955 23.080 -20.587 1.00 0.00 C ATOM 834 CD ARG A 49 22.162 22.332 -21.895 1.00 0.00 C ATOM 835 NE ARG A 49 22.692 23.198 -22.944 1.00 0.00 N ATOM 836 CZ ARG A 49 21.981 24.149 -23.541 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.718 24.353 -23.193 1.00 0.00 N ATOM 838 NH2 ARG A 49 22.533 24.897 -24.487 1.00 0.00 N ATOM 0 H ARG A 49 20.197 20.809 -17.415 1.00 0.00 H new ATOM 0 HA ARG A 49 21.426 20.376 -20.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.965 22.339 -20.330 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.645 23.083 -18.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.680 24.114 -20.797 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.891 23.106 -20.030 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.847 21.500 -21.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.214 21.905 -22.222 1.00 0.00 H new ATOM 0 HE ARG A 49 23.661 23.066 -23.235 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.290 23.780 -22.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.174 25.083 -23.652 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.504 24.743 -24.757 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.986 25.626 -24.944 1.00 0.00 H new ATOM 852 N ASN A 50 23.685 20.973 -19.087 1.00 0.00 N ATOM 853 CA ASN A 50 24.990 21.040 -18.439 1.00 0.00 C ATOM 854 C ASN A 50 25.126 22.321 -17.622 1.00 0.00 C ATOM 855 O ASN A 50 24.426 23.305 -17.866 1.00 0.00 O ATOM 856 CB ASN A 50 26.106 20.967 -19.483 1.00 0.00 C ATOM 857 CG ASN A 50 25.832 21.852 -20.684 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.320 21.255 -21.754 1.00 0.00 O flip ATOM 859 ND2 ASN A 50 26.079 23.057 -20.650 1.00 0.00 N flip ATOM 0 H ASN A 50 23.721 20.785 -20.089 1.00 0.00 H new ATOM 0 HA ASN A 50 25.077 20.188 -17.764 1.00 0.00 H new ATOM 0 HB2 ASN A 50 27.049 21.263 -19.024 1.00 0.00 H new ATOM 0 HB3 ASN A 50 26.223 19.935 -19.814 1.00 0.00 H new ATOM 0 HD21 ASN A 50 26.472 23.473 -19.806 1.00 0.00 H new ATOM 0 HD22 ASN A 50 25.890 23.639 -21.466 1.00 0.00 H new ATOM 866 N THR A 51 26.033 22.304 -16.650 1.00 0.00 N ATOM 867 CA THR A 51 26.261 23.462 -15.796 1.00 0.00 C ATOM 868 C THR A 51 27.407 23.211 -14.822 1.00 0.00 C ATOM 869 O THR A 51 28.027 22.147 -14.839 1.00 0.00 O ATOM 870 CB THR A 51 24.996 23.831 -14.999 1.00 0.00 C ATOM 871 OG1 THR A 51 24.031 22.778 -15.098 1.00 0.00 O ATOM 872 CG2 THR A 51 24.392 25.130 -15.511 1.00 0.00 C ATOM 0 H THR A 51 26.622 21.500 -16.435 1.00 0.00 H new ATOM 0 HA THR A 51 26.522 24.292 -16.453 1.00 0.00 H new ATOM 0 HB THR A 51 25.278 23.968 -13.955 1.00 0.00 H new ATOM 0 HG1 THR A 51 23.230 23.019 -14.587 1.00 0.00 H new ATOM 0 HG21 THR A 51 23.500 25.369 -14.932 1.00 0.00 H new ATOM 0 HG22 THR A 51 25.119 25.935 -15.407 1.00 0.00 H new ATOM 0 HG23 THR A 51 24.124 25.017 -16.561 1.00 0.00 H new ATOM 880 N PHE A 52 27.683 24.195 -13.973 1.00 0.00 N ATOM 881 CA PHE A 52 28.755 24.080 -12.991 1.00 0.00 C ATOM 882 C PHE A 52 28.505 22.906 -12.049 1.00 0.00 C ATOM 883 O PHE A 52 27.372 22.472 -11.844 1.00 0.00 O ATOM 884 CB PHE A 52 28.879 25.376 -12.187 1.00 0.00 C ATOM 885 CG PHE A 52 27.821 25.531 -11.132 1.00 0.00 C ATOM 886 CD1 PHE A 52 26.508 25.797 -11.484 1.00 0.00 C ATOM 887 CD2 PHE A 52 28.139 25.411 -9.789 1.00 0.00 C ATOM 888 CE1 PHE A 52 25.532 25.941 -10.516 1.00 0.00 C ATOM 889 CE2 PHE A 52 27.168 25.553 -8.817 1.00 0.00 C ATOM 890 CZ PHE A 52 25.862 25.818 -9.181 1.00 0.00 C ATOM 0 H PHE A 52 27.179 25.081 -13.945 1.00 0.00 H new ATOM 0 HA PHE A 52 29.688 23.902 -13.526 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.860 25.408 -11.713 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.827 26.224 -12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 52 26.244 25.893 -12.527 1.00 0.00 H new ATOM 0 HD2 PHE A 52 29.158 25.204 -9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 52 24.512 26.150 -10.804 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.430 25.457 -7.774 1.00 0.00 H new ATOM 0 HZ PHE A 52 25.101 25.929 -8.423 1.00 0.00 H new ATOM 900 N PRO A 53 29.590 22.377 -11.464 1.00 0.00 N ATOM 901 CA PRO A 53 29.516 21.246 -10.534 1.00 0.00 C ATOM 902 C PRO A 53 28.865 21.626 -9.209 1.00 0.00 C ATOM 903 O PRO A 53 28.887 22.790 -8.808 1.00 0.00 O ATOM 904 CB PRO A 53 30.983 20.866 -10.320 1.00 0.00 C ATOM 905 CG PRO A 53 31.742 22.118 -10.594 1.00 0.00 C ATOM 906 CD PRO A 53 30.972 22.844 -11.663 1.00 0.00 C ATOM 0 HA PRO A 53 28.904 20.434 -10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.156 20.512 -9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.286 20.064 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.829 22.727 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.756 21.895 -10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.051 23.925 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.339 22.599 -12.660 1.00 0.00 H new ATOM 914 N GLN A 54 28.287 20.638 -8.534 1.00 0.00 N ATOM 915 CA GLN A 54 27.629 20.871 -7.253 1.00 0.00 C ATOM 916 C GLN A 54 27.172 19.557 -6.629 1.00 0.00 C ATOM 917 O GLN A 54 27.402 18.482 -7.184 1.00 0.00 O ATOM 918 CB GLN A 54 26.434 21.808 -7.433 1.00 0.00 C ATOM 919 CG GLN A 54 25.180 21.107 -7.931 1.00 0.00 C ATOM 920 CD GLN A 54 25.464 20.140 -9.064 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.232 18.856 -8.819 1.00 0.00 O flip ATOM 922 NE2 GLN A 54 25.888 20.543 -10.148 1.00 0.00 N flip ATOM 0 H GLN A 54 28.261 19.669 -8.852 1.00 0.00 H new ATOM 0 HA GLN A 54 28.350 21.339 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.216 22.292 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.703 22.596 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.717 20.567 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.460 21.853 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 54 26.052 21.539 -10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.075 19.881 -10.901 1.00 0.00 H new ATOM 931 N ILE A 55 26.523 19.651 -5.474 1.00 0.00 N ATOM 932 CA ILE A 55 26.032 18.469 -4.775 1.00 0.00 C ATOM 933 C ILE A 55 24.574 18.190 -5.124 1.00 0.00 C ATOM 934 O ILE A 55 23.687 18.983 -4.808 1.00 0.00 O ATOM 935 CB ILE A 55 26.163 18.622 -3.249 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.636 18.735 -2.850 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.505 17.448 -2.540 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.862 19.554 -1.598 1.00 0.00 C ATOM 0 H ILE A 55 26.325 20.533 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 55 26.648 17.631 -5.101 1.00 0.00 H new ATOM 0 HB ILE A 55 25.653 19.536 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 55 28.041 17.734 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.194 19.183 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.606 17.571 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.448 17.410 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.989 16.520 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.928 19.591 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.488 20.566 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.333 19.095 -0.763 1.00 0.00 H new ATOM 950 N PHE A 56 24.333 17.057 -5.775 1.00 0.00 N ATOM 951 CA PHE A 56 22.982 16.672 -6.167 1.00 0.00 C ATOM 952 C PHE A 56 22.351 15.761 -5.118 1.00 0.00 C ATOM 953 O PHE A 56 23.012 14.879 -4.569 1.00 0.00 O ATOM 954 CB PHE A 56 23.003 15.968 -7.525 1.00 0.00 C ATOM 955 CG PHE A 56 22.181 16.662 -8.573 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.808 16.778 -8.430 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.782 17.200 -9.700 1.00 0.00 C ATOM 958 CE1 PHE A 56 20.049 17.416 -9.394 1.00 0.00 C ATOM 959 CE2 PHE A 56 22.028 17.839 -10.666 1.00 0.00 C ATOM 960 CZ PHE A 56 20.660 17.948 -10.512 1.00 0.00 C ATOM 0 H PHE A 56 25.056 16.389 -6.042 1.00 0.00 H new ATOM 0 HA PHE A 56 22.381 17.578 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.034 15.896 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.636 14.949 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.325 16.366 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.852 17.119 -9.825 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.979 17.498 -9.272 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.508 18.253 -11.540 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.069 18.449 -11.265 1.00 0.00 H new ATOM 970 N ILE A 57 21.070 15.982 -4.845 1.00 0.00 N ATOM 971 CA ILE A 57 20.349 15.181 -3.864 1.00 0.00 C ATOM 972 C ILE A 57 18.921 14.903 -4.322 1.00 0.00 C ATOM 973 O ILE A 57 18.145 15.826 -4.563 1.00 0.00 O ATOM 974 CB ILE A 57 20.309 15.877 -2.490 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.954 17.356 -2.653 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.645 15.722 -1.779 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.563 18.030 -1.357 1.00 0.00 C ATOM 0 H ILE A 57 20.510 16.709 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 57 20.887 14.238 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 57 19.539 15.403 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.807 17.881 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.132 17.448 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.601 16.219 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.860 14.663 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.433 16.173 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.325 19.076 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.691 17.530 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.392 17.970 -0.651 1.00 0.00 H new ATOM 989 N GLY A 58 18.582 13.623 -4.439 1.00 0.00 N ATOM 990 CA GLY A 58 17.247 13.246 -4.867 1.00 0.00 C ATOM 991 C GLY A 58 16.799 14.001 -6.102 1.00 0.00 C ATOM 992 O GLY A 58 15.668 14.483 -6.167 1.00 0.00 O ATOM 0 H GLY A 58 19.207 12.841 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.223 12.176 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.543 13.432 -4.056 1.00 0.00 H new ATOM 996 N ASP A 59 17.688 14.107 -7.084 1.00 0.00 N ATOM 997 CA ASP A 59 17.378 14.810 -8.323 1.00 0.00 C ATOM 998 C ASP A 59 17.191 16.303 -8.069 1.00 0.00 C ATOM 999 O ASP A 59 16.412 16.967 -8.752 1.00 0.00 O ATOM 1000 CB ASP A 59 16.117 14.228 -8.963 1.00 0.00 C ATOM 1001 CG ASP A 59 16.043 12.720 -8.829 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.734 12.021 -9.599 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.292 12.238 -7.954 1.00 0.00 O ATOM 0 H ASP A 59 18.629 13.715 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 59 18.217 14.678 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.238 14.675 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.091 14.498 -10.019 1.00 0.00 H new ATOM 1008 N TYR A 60 17.911 16.824 -7.082 1.00 0.00 N ATOM 1009 CA TYR A 60 17.823 18.237 -6.735 1.00 0.00 C ATOM 1010 C TYR A 60 19.195 18.795 -6.369 1.00 0.00 C ATOM 1011 O TYR A 60 19.716 18.534 -5.284 1.00 0.00 O ATOM 1012 CB TYR A 60 16.852 18.438 -5.570 1.00 0.00 C ATOM 1013 CG TYR A 60 16.888 19.832 -4.985 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.081 20.842 -5.494 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.731 20.139 -3.924 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.112 22.117 -4.963 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.767 21.411 -3.385 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.956 22.396 -3.908 1.00 0.00 C ATOM 1019 OH TYR A 60 16.990 23.664 -3.376 1.00 0.00 O ATOM 0 H TYR A 60 18.562 16.289 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 60 17.452 18.776 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.839 18.222 -5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 60 17.085 17.718 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.418 20.627 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.369 19.370 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.479 22.891 -5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.427 21.632 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 60 17.636 23.692 -2.639 1.00 0.00 H new ATOM 1029 N HIS A 61 19.775 19.567 -7.283 1.00 0.00 N ATOM 1030 CA HIS A 61 21.087 20.164 -7.058 1.00 0.00 C ATOM 1031 C HIS A 61 21.045 21.141 -5.887 1.00 0.00 C ATOM 1032 O HIS A 61 20.060 21.854 -5.695 1.00 0.00 O ATOM 1033 CB HIS A 61 21.567 20.882 -8.320 1.00 0.00 C ATOM 1034 CG HIS A 61 20.562 21.839 -8.883 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.558 21.454 -9.747 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.409 23.171 -8.701 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.832 22.509 -10.073 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.327 23.563 -9.451 1.00 0.00 N ATOM 0 H HIS A 61 19.358 19.794 -8.186 1.00 0.00 H new ATOM 0 HA HIS A 61 21.787 19.364 -6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.485 21.424 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.814 20.140 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.023 23.808 -8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.979 22.509 -10.735 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.965 24.514 -9.517 1.00 0.00 H new ATOM 1046 N VAL A 62 22.120 21.168 -5.106 1.00 0.00 N ATOM 1047 CA VAL A 62 22.207 22.057 -3.954 1.00 0.00 C ATOM 1048 C VAL A 62 23.167 23.210 -4.221 1.00 0.00 C ATOM 1049 O VAL A 62 22.757 24.367 -4.305 1.00 0.00 O ATOM 1050 CB VAL A 62 22.667 21.300 -2.694 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.870 22.265 -1.536 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.664 20.217 -2.327 1.00 0.00 C ATOM 0 H VAL A 62 22.944 20.584 -5.250 1.00 0.00 H new ATOM 0 HA VAL A 62 21.206 22.454 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 62 23.622 20.820 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.195 21.712 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.629 23.000 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.932 22.775 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.005 19.692 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.693 20.672 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.574 19.510 -3.151 1.00 0.00 H new ATOM 1062 N GLY A 63 24.450 22.886 -4.353 1.00 0.00 N ATOM 1063 CA GLY A 63 25.450 23.906 -4.609 1.00 0.00 C ATOM 1064 C GLY A 63 26.780 23.592 -3.953 1.00 0.00 C ATOM 1065 O GLY A 63 27.686 23.061 -4.594 1.00 0.00 O ATOM 0 H GLY A 63 24.814 21.936 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.594 24.007 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 63 25.086 24.867 -4.244 1.00 0.00 H new ATOM 1069 N GLY A 64 26.898 23.923 -2.671 1.00 0.00 N ATOM 1070 CA GLY A 64 28.131 23.666 -1.949 1.00 0.00 C ATOM 1071 C GLY A 64 27.950 22.659 -0.831 1.00 0.00 C ATOM 1072 O GLY A 64 26.866 22.100 -0.659 1.00 0.00 O ATOM 0 H GLY A 64 26.162 24.364 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.886 23.300 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.507 24.601 -1.534 1.00 0.00 H new ATOM 1076 N CYS A 65 29.013 22.426 -0.070 1.00 0.00 N ATOM 1077 CA CYS A 65 28.968 21.477 1.037 1.00 0.00 C ATOM 1078 C CYS A 65 28.209 22.062 2.224 1.00 0.00 C ATOM 1079 O CYS A 65 27.236 21.476 2.701 1.00 0.00 O ATOM 1080 CB CYS A 65 30.385 21.090 1.463 1.00 0.00 C ATOM 1081 SG CYS A 65 31.475 20.652 0.089 1.00 0.00 S ATOM 0 H CYS A 65 29.917 22.881 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 65 28.443 20.585 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.827 21.921 2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.328 20.246 2.151 1.00 0.00 H new ATOM 0 HG CYS A 65 32.702 20.955 0.395 1.00 0.00 H new ATOM 1087 N ASP A 66 28.660 23.218 2.696 1.00 0.00 N ATOM 1088 CA ASP A 66 28.024 23.882 3.828 1.00 0.00 C ATOM 1089 C ASP A 66 26.533 24.082 3.574 1.00 0.00 C ATOM 1090 O ASP A 66 25.738 24.157 4.511 1.00 0.00 O ATOM 1091 CB ASP A 66 28.693 25.232 4.097 1.00 0.00 C ATOM 1092 CG ASP A 66 28.181 26.324 3.179 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.149 26.100 1.951 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.814 27.404 3.688 1.00 0.00 O ATOM 0 H ASP A 66 29.464 23.715 2.313 1.00 0.00 H new ATOM 0 HA ASP A 66 28.143 23.245 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.518 25.521 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.771 25.132 3.972 1.00 0.00 H new ATOM 1099 N ASP A 67 26.162 24.166 2.301 1.00 0.00 N ATOM 1100 CA ASP A 67 24.766 24.356 1.923 1.00 0.00 C ATOM 1101 C ASP A 67 23.878 23.301 2.574 1.00 0.00 C ATOM 1102 O ASP A 67 22.905 23.627 3.255 1.00 0.00 O ATOM 1103 CB ASP A 67 24.615 24.300 0.402 1.00 0.00 C ATOM 1104 CG ASP A 67 25.205 25.517 -0.284 1.00 0.00 C ATOM 1105 OD1 ASP A 67 26.442 25.565 -0.447 1.00 0.00 O ATOM 1106 OD2 ASP A 67 24.429 26.421 -0.658 1.00 0.00 O ATOM 0 H ASP A 67 26.808 24.106 1.514 1.00 0.00 H new ATOM 0 HA ASP A 67 24.450 25.338 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.103 23.401 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.558 24.220 0.147 1.00 0.00 H new ATOM 1111 N LEU A 68 24.219 22.035 2.361 1.00 0.00 N ATOM 1112 CA LEU A 68 23.452 20.930 2.927 1.00 0.00 C ATOM 1113 C LEU A 68 23.387 21.035 4.447 1.00 0.00 C ATOM 1114 O LEU A 68 22.376 20.692 5.060 1.00 0.00 O ATOM 1115 CB LEU A 68 24.074 19.592 2.523 1.00 0.00 C ATOM 1116 CG LEU A 68 25.264 19.125 3.361 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.788 18.342 4.575 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.211 18.282 2.519 1.00 0.00 C ATOM 0 H LEU A 68 25.021 21.748 1.801 1.00 0.00 H new ATOM 0 HA LEU A 68 22.437 20.985 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.300 18.826 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.393 19.662 1.483 1.00 0.00 H new ATOM 0 HG LEU A 68 25.805 20.004 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.649 18.018 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.150 18.977 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.223 17.470 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.052 17.958 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.681 17.408 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.579 18.875 1.682 1.00 0.00 H new ATOM 1130 N TYR A 69 24.470 21.514 5.049 1.00 0.00 N ATOM 1131 CA TYR A 69 24.536 21.664 6.498 1.00 0.00 C ATOM 1132 C TYR A 69 23.585 22.757 6.976 1.00 0.00 C ATOM 1133 O TYR A 69 22.757 22.532 7.858 1.00 0.00 O ATOM 1134 CB TYR A 69 25.966 21.990 6.933 1.00 0.00 C ATOM 1135 CG TYR A 69 26.668 20.839 7.617 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.021 19.696 6.911 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.980 20.895 8.970 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.662 18.642 7.532 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.622 19.846 9.600 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.960 18.722 8.876 1.00 0.00 C ATOM 1141 OH TYR A 69 28.600 17.674 9.499 1.00 0.00 O ATOM 0 H TYR A 69 25.314 21.805 4.556 1.00 0.00 H new ATOM 0 HA TYR A 69 24.232 20.720 6.950 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.544 22.289 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 69 25.945 22.845 7.609 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.790 19.630 5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.716 21.774 9.539 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.928 17.760 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.857 19.906 10.652 1.00 0.00 H new ATOM 0 HH TYR A 69 28.737 17.890 10.445 1.00 0.00 H new ATOM 1151 N ALA A 70 23.710 23.941 6.386 1.00 0.00 N ATOM 1152 CA ALA A 70 22.861 25.069 6.749 1.00 0.00 C ATOM 1153 C ALA A 70 21.385 24.704 6.633 1.00 0.00 C ATOM 1154 O ALA A 70 20.598 24.964 7.544 1.00 0.00 O ATOM 1155 CB ALA A 70 23.180 26.272 5.873 1.00 0.00 C ATOM 0 H ALA A 70 24.391 24.144 5.654 1.00 0.00 H new ATOM 0 HA ALA A 70 23.064 25.326 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.539 27.107 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.224 26.554 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.006 26.017 4.828 1.00 0.00 H new ATOM 1161 N LEU A 71 21.016 24.101 5.509 1.00 0.00 N ATOM 1162 CA LEU A 71 19.633 23.701 5.274 1.00 0.00 C ATOM 1163 C LEU A 71 19.195 22.640 6.279 1.00 0.00 C ATOM 1164 O LEU A 71 18.108 22.724 6.850 1.00 0.00 O ATOM 1165 CB LEU A 71 19.470 23.168 3.849 1.00 0.00 C ATOM 1166 CG LEU A 71 19.666 24.186 2.726 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.003 23.482 1.420 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.423 25.048 2.564 1.00 0.00 C ATOM 0 H LEU A 71 21.655 23.878 4.746 1.00 0.00 H new ATOM 0 HA LEU A 71 19.000 24.579 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.181 22.355 3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.472 22.740 3.754 1.00 0.00 H new ATOM 0 HG LEU A 71 20.501 24.834 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.139 24.223 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.922 22.909 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.189 22.809 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.581 25.767 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.570 24.414 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.226 25.581 3.494 1.00 0.00 H new ATOM 1180 N GLU A 72 20.049 21.644 6.491 1.00 0.00 N ATOM 1181 CA GLU A 72 19.750 20.568 7.428 1.00 0.00 C ATOM 1182 C GLU A 72 19.456 21.124 8.819 1.00 0.00 C ATOM 1183 O GLU A 72 18.605 20.604 9.539 1.00 0.00 O ATOM 1184 CB GLU A 72 20.919 19.583 7.498 1.00 0.00 C ATOM 1185 CG GLU A 72 20.741 18.501 8.551 1.00 0.00 C ATOM 1186 CD GLU A 72 21.982 17.649 8.726 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.665 17.379 7.717 1.00 0.00 O ATOM 1188 OE2 GLU A 72 22.270 17.251 9.875 1.00 0.00 O ATOM 0 H GLU A 72 20.953 21.560 6.027 1.00 0.00 H new ATOM 0 HA GLU A 72 18.864 20.045 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.045 19.112 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.836 20.134 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.486 18.965 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.903 17.863 8.273 1.00 0.00 H new ATOM 1195 N ASN A 73 20.166 22.185 9.188 1.00 0.00 N ATOM 1196 CA ASN A 73 19.982 22.812 10.492 1.00 0.00 C ATOM 1197 C ASN A 73 18.857 23.841 10.447 1.00 0.00 C ATOM 1198 O ASN A 73 18.269 24.181 11.474 1.00 0.00 O ATOM 1199 CB ASN A 73 21.281 23.480 10.947 1.00 0.00 C ATOM 1200 CG ASN A 73 21.183 24.036 12.355 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.392 23.319 13.333 1.00 0.00 O ATOM 1202 ND2 ASN A 73 20.863 25.320 12.462 1.00 0.00 N ATOM 0 H ASN A 73 20.874 22.629 8.603 1.00 0.00 H new ATOM 0 HA ASN A 73 19.711 22.035 11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.094 22.756 10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.533 24.286 10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 73 20.782 25.750 13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.699 25.876 11.623 1.00 0.00 H new ATOM 1209 N LYS A 74 18.560 24.334 9.249 1.00 0.00 N ATOM 1210 CA LYS A 74 17.504 25.323 9.068 1.00 0.00 C ATOM 1211 C LYS A 74 16.128 24.669 9.138 1.00 0.00 C ATOM 1212 O LYS A 74 15.131 25.328 9.426 1.00 0.00 O ATOM 1213 CB LYS A 74 17.672 26.038 7.725 1.00 0.00 C ATOM 1214 CG LYS A 74 18.179 27.465 7.856 1.00 0.00 C ATOM 1215 CD LYS A 74 19.575 27.508 8.452 1.00 0.00 C ATOM 1216 CE LYS A 74 19.883 28.872 9.052 1.00 0.00 C ATOM 1217 NZ LYS A 74 19.442 28.965 10.472 1.00 0.00 N ATOM 0 H LYS A 74 19.036 24.064 8.388 1.00 0.00 H new ATOM 0 HA LYS A 74 17.582 26.052 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.365 25.470 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.714 26.048 7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.186 27.941 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.497 28.038 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.667 26.742 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.309 27.275 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.955 29.062 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.388 29.647 8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.669 29.909 10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.415 28.809 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.933 28.242 11.036 1.00 0.00 H new ATOM 1231 N GLY A 75 16.083 23.366 8.875 1.00 0.00 N ATOM 1232 CA GLY A 75 14.825 22.644 8.915 1.00 0.00 C ATOM 1233 C GLY A 75 14.586 21.825 7.663 1.00 0.00 C ATOM 1234 O GLY A 75 13.586 21.113 7.558 1.00 0.00 O ATOM 0 H GLY A 75 16.896 22.798 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.815 21.985 9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.007 23.353 9.043 1.00 0.00 H new ATOM 1238 N LYS A 76 15.505 21.924 6.708 1.00 0.00 N ATOM 1239 CA LYS A 76 15.390 21.187 5.456 1.00 0.00 C ATOM 1240 C LYS A 76 15.989 19.790 5.590 1.00 0.00 C ATOM 1241 O LYS A 76 16.104 19.056 4.608 1.00 0.00 O ATOM 1242 CB LYS A 76 16.090 21.947 4.327 1.00 0.00 C ATOM 1243 CG LYS A 76 15.138 22.479 3.270 1.00 0.00 C ATOM 1244 CD LYS A 76 14.230 23.560 3.831 1.00 0.00 C ATOM 1245 CE LYS A 76 13.709 24.476 2.734 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.762 25.407 2.242 1.00 0.00 N ATOM 0 H LYS A 76 16.338 22.508 6.778 1.00 0.00 H new ATOM 0 HA LYS A 76 14.331 21.088 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.649 22.780 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.815 21.287 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.710 22.881 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.533 21.661 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.390 23.098 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.776 24.148 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.339 23.874 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.864 25.051 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.324 26.152 1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.250 25.839 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.449 24.881 1.665 1.00 0.00 H new ATOM 1260 N LEU A 77 16.367 19.429 6.811 1.00 0.00 N ATOM 1261 CA LEU A 77 16.953 18.119 7.074 1.00 0.00 C ATOM 1262 C LEU A 77 16.044 17.004 6.567 1.00 0.00 C ATOM 1263 O LEU A 77 16.513 16.011 6.011 1.00 0.00 O ATOM 1264 CB LEU A 77 17.207 17.943 8.572 1.00 0.00 C ATOM 1265 CG LEU A 77 17.370 16.504 9.061 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.344 16.444 10.228 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.023 15.919 9.458 1.00 0.00 C ATOM 0 H LEU A 77 16.278 20.024 7.634 1.00 0.00 H new ATOM 0 HA LEU A 77 17.902 18.060 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.107 18.499 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.380 18.399 9.116 1.00 0.00 H new ATOM 0 HG LEU A 77 17.776 15.907 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.447 15.412 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.316 16.822 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.967 17.055 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.159 14.894 9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.588 16.517 10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.355 15.926 8.597 1.00 0.00 H new ATOM 1279 N ASP A 78 14.741 17.177 6.760 1.00 0.00 N ATOM 1280 CA ASP A 78 13.765 16.187 6.319 1.00 0.00 C ATOM 1281 C ASP A 78 13.934 15.881 4.834 1.00 0.00 C ATOM 1282 O ASP A 78 14.006 14.719 4.434 1.00 0.00 O ATOM 1283 CB ASP A 78 12.344 16.684 6.591 1.00 0.00 C ATOM 1284 CG ASP A 78 11.948 16.538 8.047 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.475 17.299 8.884 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.112 15.661 8.350 1.00 0.00 O ATOM 0 H ASP A 78 14.336 17.993 7.219 1.00 0.00 H new ATOM 0 HA ASP A 78 13.935 15.270 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.267 17.732 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.642 16.128 5.969 1.00 0.00 H new ATOM 1291 N SER A 79 13.996 16.931 4.022 1.00 0.00 N ATOM 1292 CA SER A 79 14.152 16.774 2.580 1.00 0.00 C ATOM 1293 C SER A 79 15.501 16.144 2.246 1.00 0.00 C ATOM 1294 O SER A 79 15.577 15.181 1.481 1.00 0.00 O ATOM 1295 CB SER A 79 14.022 18.129 1.882 1.00 0.00 C ATOM 1296 OG SER A 79 13.633 17.969 0.528 1.00 0.00 O ATOM 0 H SER A 79 13.941 17.899 4.337 1.00 0.00 H new ATOM 0 HA SER A 79 13.363 16.112 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.288 18.742 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.973 18.660 1.930 1.00 0.00 H new ATOM 0 HG SER A 79 13.555 18.849 0.104 1.00 0.00 H new ATOM 1302 N LEU A 80 16.563 16.693 2.823 1.00 0.00 N ATOM 1303 CA LEU A 80 17.910 16.186 2.587 1.00 0.00 C ATOM 1304 C LEU A 80 17.994 14.695 2.900 1.00 0.00 C ATOM 1305 O LEU A 80 18.482 13.906 2.090 1.00 0.00 O ATOM 1306 CB LEU A 80 18.922 16.955 3.439 1.00 0.00 C ATOM 1307 CG LEU A 80 19.684 18.074 2.728 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.727 17.495 1.784 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.721 18.978 1.972 1.00 0.00 C ATOM 0 H LEU A 80 16.518 17.490 3.458 1.00 0.00 H new ATOM 0 HA LEU A 80 18.146 16.331 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.397 17.385 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.647 16.244 3.836 1.00 0.00 H new ATOM 0 HG LEU A 80 20.198 18.672 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.259 18.307 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.435 16.891 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.235 16.872 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.281 19.769 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.179 18.392 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.013 19.422 2.672 1.00 0.00 H new ATOM 1321 N LEU A 81 17.513 14.316 4.079 1.00 0.00 N ATOM 1322 CA LEU A 81 17.531 12.919 4.499 1.00 0.00 C ATOM 1323 C LEU A 81 16.631 12.071 3.606 1.00 0.00 C ATOM 1324 O LEU A 81 16.943 10.916 3.313 1.00 0.00 O ATOM 1325 CB LEU A 81 17.082 12.798 5.956 1.00 0.00 C ATOM 1326 CG LEU A 81 18.175 12.452 6.968 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.889 13.712 7.434 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.586 11.702 8.154 1.00 0.00 C ATOM 0 H LEU A 81 17.106 14.956 4.761 1.00 0.00 H new ATOM 0 HA LEU A 81 18.553 12.551 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.624 13.741 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.306 12.035 6.014 1.00 0.00 H new ATOM 0 HG LEU A 81 18.904 11.805 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.663 13.446 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.345 14.210 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.171 14.384 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.378 11.464 8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.836 12.325 8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.121 10.779 7.807 1.00 0.00 H new ATOM 1340 N GLN A 82 15.516 12.652 3.175 1.00 0.00 N ATOM 1341 CA GLN A 82 14.573 11.949 2.314 1.00 0.00 C ATOM 1342 C GLN A 82 15.166 11.721 0.928 1.00 0.00 C ATOM 1343 O GLN A 82 14.805 10.768 0.236 1.00 0.00 O ATOM 1344 CB GLN A 82 13.268 12.739 2.199 1.00 0.00 C ATOM 1345 CG GLN A 82 12.250 12.101 1.269 1.00 0.00 C ATOM 1346 CD GLN A 82 10.864 12.696 1.423 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.097 12.295 2.299 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.535 13.660 0.571 1.00 0.00 N ATOM 0 H GLN A 82 15.244 13.607 3.408 1.00 0.00 H new ATOM 0 HA GLN A 82 14.364 10.978 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.827 12.842 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.492 13.745 1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.580 12.222 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.205 11.030 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.201 13.962 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.616 14.099 0.627 1.00 0.00 H new ATOM 1357 N ASP A 83 16.078 12.600 0.528 1.00 0.00 N ATOM 1358 CA ASP A 83 16.723 12.494 -0.776 1.00 0.00 C ATOM 1359 C ASP A 83 17.859 11.476 -0.739 1.00 0.00 C ATOM 1360 O ASP A 83 17.995 10.649 -1.641 1.00 0.00 O ATOM 1361 CB ASP A 83 17.257 13.857 -1.216 1.00 0.00 C ATOM 1362 CG ASP A 83 16.149 14.815 -1.605 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.968 14.416 -1.532 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.462 15.964 -1.984 1.00 0.00 O ATOM 0 H ASP A 83 16.388 13.394 1.088 1.00 0.00 H new ATOM 0 HA ASP A 83 15.979 12.154 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.843 14.293 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.932 13.724 -2.062 1.00 0.00 H new ATOM 1369 N VAL A 84 18.674 11.544 0.309 1.00 0.00 N ATOM 1370 CA VAL A 84 19.798 10.628 0.464 1.00 0.00 C ATOM 1371 C VAL A 84 19.321 9.232 0.848 1.00 0.00 C ATOM 1372 O VAL A 84 19.973 8.234 0.537 1.00 0.00 O ATOM 1373 CB VAL A 84 20.789 11.132 1.530 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.337 12.498 1.147 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.122 11.180 2.896 1.00 0.00 C ATOM 0 H VAL A 84 18.577 12.224 1.063 1.00 0.00 H new ATOM 0 HA VAL A 84 20.305 10.582 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 84 21.625 10.434 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.035 12.837 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.854 12.427 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.515 13.209 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.836 11.538 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.267 11.855 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.784 10.181 3.171 1.00 0.00 H new ATOM 1385 N HIS A 85 18.179 9.168 1.525 1.00 0.00 N ATOM 1386 CA HIS A 85 17.614 7.893 1.950 1.00 0.00 C ATOM 1387 C HIS A 85 17.440 6.951 0.762 1.00 0.00 C ATOM 1388 O HIS A 85 16.517 7.110 -0.038 1.00 0.00 O ATOM 1389 CB HIS A 85 16.268 8.113 2.642 1.00 0.00 C ATOM 1390 CG HIS A 85 15.573 6.841 3.020 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.230 6.622 2.796 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.043 5.716 3.608 1.00 0.00 C ATOM 1393 CE1 HIS A 85 13.904 5.418 3.232 1.00 0.00 C ATOM 1394 NE2 HIS A 85 14.987 4.848 3.729 1.00 0.00 N ATOM 0 H HIS A 85 17.627 9.984 1.791 1.00 0.00 H new ATOM 0 HA HIS A 85 18.307 7.435 2.656 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.424 8.712 3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.620 8.689 1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.060 5.535 3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 85 12.920 4.975 3.189 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.031 3.914 4.137 1.00 0.00 H new