USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 57 LYS NZ :NH3+ 154:sc= 0.928 (180deg=0) USER MOD Set 1.2: A 61 SER OG : rot -67:sc= 0.799 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.395 USER MOD Set 2.2: A 36 GLN : amide:sc= 0.13 X(o=0.52,f=0.47) USER MOD Set 3.1: A 26 SER OG : rot 89:sc= 1.32 USER MOD Set 3.2: A 75 TYR OH : rot 158:sc= 0.0144 USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= -0.0242 USER MOD Set 4.2: A 12 ASN : amide:sc= 1.66 K(o=2.6,f=1.2) USER MOD Set 4.3: A 51 GLN : amide:sc= 0.976 X(o=2.6,f=2.2) USER MOD Single : A 6 ASN : amide:sc= 0.207 K(o=0.21,f=-8.4!) USER MOD Single : A 7 GLN : amide:sc= 0.987 K(o=0.99,f=-0.39) USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 13 ASN : amide:sc= 0.811 K(o=0.81,f=-0.46) USER MOD Single : A 15 ASN : amide:sc= -0.0164 K(o=-0.016,f=-7.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 1.1 K(o=1.1,f=-0.14) USER MOD Single : A 63 SER OG : rot 79:sc= 1.22 USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 68 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 69 MET CE :methyl 177:sc= -1.24 (180deg=-1.29) USER MOD Single : A 70 GLN : amide:sc= 1.01 K(o=1,f=-6.7!) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= 1.33 (180deg=1.13) USER MOD Single : A 79 MET CE :methyl -170:sc= -0.0119 (180deg=-0.242) USER MOD Single : A 80 GLN : amide:sc= 0.832 K(o=0.83,f=-0.057) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.796 -21.638 -4.155 1.00 0.00 N ATOM 72 CA PRO A 5 9.994 -21.799 -4.967 1.00 0.00 C ATOM 73 C PRO A 5 9.674 -21.917 -6.462 1.00 0.00 C ATOM 74 O PRO A 5 8.814 -22.698 -6.878 1.00 0.00 O ATOM 75 CB PRO A 5 10.697 -23.056 -4.441 1.00 0.00 C ATOM 76 CG PRO A 5 10.210 -23.152 -3.001 1.00 0.00 C ATOM 77 CD PRO A 5 8.780 -22.623 -3.084 1.00 0.00 C ATOM 0 HA PRO A 5 10.634 -20.921 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.425 -23.940 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.782 -22.962 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.240 -24.177 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.823 -22.553 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.075 -23.426 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.472 -22.173 -2.140 1.00 0.00 H new ATOM 85 N ASN A 6 10.421 -21.163 -7.262 1.00 0.00 N ATOM 86 CA ASN A 6 10.502 -21.206 -8.717 1.00 0.00 C ATOM 87 C ASN A 6 11.886 -20.627 -9.003 1.00 0.00 C ATOM 88 O ASN A 6 12.276 -19.674 -8.332 1.00 0.00 O ATOM 89 CB ASN A 6 9.394 -20.338 -9.353 1.00 0.00 C ATOM 90 CG ASN A 6 9.391 -20.355 -10.885 1.00 0.00 C ATOM 91 OD1 ASN A 6 10.406 -20.574 -11.536 1.00 0.00 O ATOM 92 ND2 ASN A 6 8.252 -20.144 -11.522 1.00 0.00 N ATOM 0 H ASN A 6 11.036 -20.447 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 6 10.365 -22.206 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.425 -20.684 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.512 -19.310 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.226 -20.165 -12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.399 -19.960 -10.994 1.00 0.00 H new ATOM 99 N GLN A 7 12.648 -21.184 -9.949 1.00 0.00 N ATOM 100 CA GLN A 7 13.977 -20.670 -10.286 1.00 0.00 C ATOM 101 C GLN A 7 13.911 -19.235 -10.840 1.00 0.00 C ATOM 102 O GLN A 7 14.938 -18.555 -10.870 1.00 0.00 O ATOM 103 CB GLN A 7 14.677 -21.639 -11.259 1.00 0.00 C ATOM 104 CG GLN A 7 16.198 -21.418 -11.305 1.00 0.00 C ATOM 105 CD GLN A 7 16.967 -22.479 -12.100 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.409 -23.412 -12.676 1.00 0.00 O ATOM 107 NE2 GLN A 7 18.282 -22.357 -12.139 1.00 0.00 N ATOM 0 H GLN A 7 12.364 -21.996 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 7 14.572 -20.613 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.470 -22.666 -10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.262 -21.510 -12.259 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.398 -20.439 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.581 -21.397 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.737 -21.580 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.843 -23.039 -12.649 1.00 0.00 H new ATOM 116 N THR A 8 12.726 -18.766 -11.242 1.00 0.00 N ATOM 117 CA THR A 8 12.495 -17.438 -11.783 1.00 0.00 C ATOM 118 C THR A 8 11.488 -16.705 -10.890 1.00 0.00 C ATOM 119 O THR A 8 10.548 -17.314 -10.364 1.00 0.00 O ATOM 120 CB THR A 8 11.989 -17.555 -13.233 1.00 0.00 C ATOM 121 OG1 THR A 8 12.711 -18.542 -13.951 1.00 0.00 O ATOM 122 CG2 THR A 8 12.109 -16.229 -13.995 1.00 0.00 C ATOM 0 H THR A 8 11.875 -19.327 -11.195 1.00 0.00 H new ATOM 0 HA THR A 8 13.422 -16.864 -11.798 1.00 0.00 H new ATOM 0 HB THR A 8 10.938 -17.835 -13.162 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.368 -18.596 -14.867 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.741 -16.359 -15.012 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.518 -15.465 -13.490 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.154 -15.919 -14.024 1.00 0.00 H new ATOM 130 N ILE A 9 11.668 -15.391 -10.745 1.00 0.00 N ATOM 131 CA ILE A 9 10.768 -14.513 -10.005 1.00 0.00 C ATOM 132 C ILE A 9 10.339 -13.374 -10.939 1.00 0.00 C ATOM 133 O ILE A 9 10.994 -13.103 -11.952 1.00 0.00 O ATOM 134 CB ILE A 9 11.406 -14.035 -8.670 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.341 -12.826 -8.884 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.121 -15.195 -7.942 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.125 -12.363 -7.649 1.00 0.00 C ATOM 0 H ILE A 9 12.464 -14.899 -11.150 1.00 0.00 H new ATOM 0 HA ILE A 9 9.871 -15.050 -9.696 1.00 0.00 H new ATOM 0 HB ILE A 9 10.596 -13.697 -8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.053 -13.076 -9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.745 -11.989 -9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.556 -14.828 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.402 -15.983 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.910 -15.593 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.749 -11.509 -7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.428 -12.074 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.756 -13.177 -7.292 1.00 0.00 H new ATOM 149 N TYR A 10 9.261 -12.692 -10.564 1.00 0.00 N ATOM 150 CA TYR A 10 8.528 -11.713 -11.349 1.00 0.00 C ATOM 151 C TYR A 10 8.459 -10.452 -10.497 1.00 0.00 C ATOM 152 O TYR A 10 8.010 -10.504 -9.352 1.00 0.00 O ATOM 153 CB TYR A 10 7.138 -12.306 -11.638 1.00 0.00 C ATOM 154 CG TYR A 10 6.049 -11.383 -12.170 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.305 -10.433 -13.181 1.00 0.00 C ATOM 156 CD2 TYR A 10 4.731 -11.549 -11.700 1.00 0.00 C ATOM 157 CE1 TYR A 10 5.245 -9.701 -13.751 1.00 0.00 C ATOM 158 CE2 TYR A 10 3.672 -10.805 -12.247 1.00 0.00 C ATOM 159 CZ TYR A 10 3.918 -9.900 -13.303 1.00 0.00 C ATOM 160 OH TYR A 10 2.883 -9.242 -13.896 1.00 0.00 O ATOM 0 H TYR A 10 8.851 -12.820 -9.639 1.00 0.00 H new ATOM 0 HA TYR A 10 8.994 -11.471 -12.304 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.266 -13.116 -12.356 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.771 -12.754 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.317 -10.266 -13.519 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.532 -12.257 -10.909 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.446 -8.985 -14.534 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.671 -10.925 -11.860 1.00 0.00 H new ATOM 0 HH TYR A 10 2.042 -9.498 -13.463 1.00 0.00 H new ATOM 170 N ILE A 11 8.941 -9.335 -11.036 1.00 0.00 N ATOM 171 CA ILE A 11 9.145 -8.077 -10.329 1.00 0.00 C ATOM 172 C ILE A 11 8.195 -7.060 -10.957 1.00 0.00 C ATOM 173 O ILE A 11 7.990 -7.050 -12.174 1.00 0.00 O ATOM 174 CB ILE A 11 10.637 -7.664 -10.426 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.518 -8.659 -9.631 1.00 0.00 C ATOM 176 CG2 ILE A 11 10.879 -6.224 -9.931 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.029 -8.449 -9.794 1.00 0.00 C ATOM 0 H ILE A 11 9.211 -9.281 -12.018 1.00 0.00 H new ATOM 0 HA ILE A 11 8.923 -8.154 -9.265 1.00 0.00 H new ATOM 0 HB ILE A 11 10.914 -7.694 -11.480 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.266 -8.581 -8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.270 -9.673 -9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.938 -5.982 -10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.297 -5.529 -10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.573 -6.142 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.565 -9.190 -9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.300 -8.558 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.296 -7.449 -9.452 1.00 0.00 H new ATOM 189 N ASN A 12 7.629 -6.205 -10.111 1.00 0.00 N ATOM 190 CA ASN A 12 6.582 -5.237 -10.399 1.00 0.00 C ATOM 191 C ASN A 12 6.843 -3.998 -9.541 1.00 0.00 C ATOM 192 O ASN A 12 7.638 -4.043 -8.595 1.00 0.00 O ATOM 193 CB ASN A 12 5.210 -5.838 -10.042 1.00 0.00 C ATOM 194 CG ASN A 12 4.809 -6.965 -10.983 1.00 0.00 C ATOM 195 OD1 ASN A 12 4.230 -6.711 -12.032 1.00 0.00 O ATOM 196 ND2 ASN A 12 5.106 -8.211 -10.644 1.00 0.00 N ATOM 0 H ASN A 12 7.914 -6.170 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 12 6.583 -4.975 -11.457 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.236 -6.214 -9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.453 -5.054 -10.075 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.852 -8.982 -11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.589 -8.399 -9.765 1.00 0.00 H new ATOM 203 N ASN A 13 6.144 -2.898 -9.846 1.00 0.00 N ATOM 204 CA ASN A 13 6.342 -1.571 -9.246 1.00 0.00 C ATOM 205 C ASN A 13 7.806 -1.101 -9.319 1.00 0.00 C ATOM 206 O ASN A 13 8.273 -0.327 -8.481 1.00 0.00 O ATOM 207 CB ASN A 13 5.763 -1.526 -7.820 1.00 0.00 C ATOM 208 CG ASN A 13 5.572 -0.092 -7.328 1.00 0.00 C ATOM 209 OD1 ASN A 13 4.955 0.729 -8.002 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.052 0.240 -6.142 1.00 0.00 N ATOM 0 H ASN A 13 5.398 -2.907 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 13 5.783 -0.850 -9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.806 -2.047 -7.800 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.429 -2.057 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.911 1.183 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.563 -0.447 -5.588 1.00 0.00 H new ATOM 217 N LEU A 14 8.547 -1.596 -10.314 1.00 0.00 N ATOM 218 CA LEU A 14 9.923 -1.206 -10.601 1.00 0.00 C ATOM 219 C LEU A 14 9.877 0.253 -11.068 1.00 0.00 C ATOM 220 O LEU A 14 8.964 0.616 -11.816 1.00 0.00 O ATOM 221 CB LEU A 14 10.446 -2.156 -11.696 1.00 0.00 C ATOM 222 CG LEU A 14 11.951 -2.463 -11.695 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.192 -3.530 -12.771 1.00 0.00 C ATOM 224 CD2 LEU A 14 12.840 -1.245 -11.963 1.00 0.00 C ATOM 0 H LEU A 14 8.191 -2.301 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 14 10.589 -1.278 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.908 -3.100 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.188 -1.729 -12.665 1.00 0.00 H new ATOM 0 HG LEU A 14 12.227 -2.804 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.253 -3.779 -12.805 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.617 -4.424 -12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.878 -3.145 -13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.887 -1.548 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.600 -0.827 -12.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.667 -0.492 -11.194 1.00 0.00 H new ATOM 236 N ASN A 15 10.814 1.102 -10.632 1.00 0.00 N ATOM 237 CA ASN A 15 10.877 2.480 -11.116 1.00 0.00 C ATOM 238 C ASN A 15 11.233 2.460 -12.603 1.00 0.00 C ATOM 239 O ASN A 15 12.349 2.109 -12.984 1.00 0.00 O ATOM 240 CB ASN A 15 11.857 3.333 -10.298 1.00 0.00 C ATOM 241 CG ASN A 15 11.741 4.813 -10.667 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.511 5.178 -11.814 1.00 0.00 O ATOM 243 ND2 ASN A 15 11.871 5.704 -9.698 1.00 0.00 N ATOM 0 H ASN A 15 11.533 0.859 -9.950 1.00 0.00 H new ATOM 0 HA ASN A 15 9.902 2.951 -10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.656 3.204 -9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.877 2.990 -10.474 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.780 6.699 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.062 5.396 -8.745 1.00 0.00 H new ATOM 250 N GLU A 16 10.274 2.828 -13.442 1.00 0.00 N ATOM 251 CA GLU A 16 10.356 2.732 -14.888 1.00 0.00 C ATOM 252 C GLU A 16 11.382 3.691 -15.510 1.00 0.00 C ATOM 253 O GLU A 16 11.664 3.564 -16.699 1.00 0.00 O ATOM 254 CB GLU A 16 8.958 2.905 -15.508 1.00 0.00 C ATOM 255 CG GLU A 16 8.239 4.222 -15.157 1.00 0.00 C ATOM 256 CD GLU A 16 7.332 4.103 -13.918 1.00 0.00 C ATOM 257 OE1 GLU A 16 7.850 4.042 -12.779 1.00 0.00 O ATOM 258 OE2 GLU A 16 6.089 4.093 -14.069 1.00 0.00 O ATOM 0 H GLU A 16 9.387 3.215 -13.120 1.00 0.00 H new ATOM 0 HA GLU A 16 10.725 1.734 -15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.049 2.838 -16.592 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.332 2.072 -15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.983 5.000 -14.982 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.639 4.540 -16.010 1.00 0.00 H new ATOM 265 N LYS A 17 11.969 4.640 -14.767 1.00 0.00 N ATOM 266 CA LYS A 17 13.040 5.472 -15.319 1.00 0.00 C ATOM 267 C LYS A 17 14.306 4.652 -15.586 1.00 0.00 C ATOM 268 O LYS A 17 15.048 4.951 -16.524 1.00 0.00 O ATOM 269 CB LYS A 17 13.299 6.701 -14.431 1.00 0.00 C ATOM 270 CG LYS A 17 14.187 6.442 -13.203 1.00 0.00 C ATOM 271 CD LYS A 17 14.065 7.602 -12.207 1.00 0.00 C ATOM 272 CE LYS A 17 14.915 7.386 -10.945 1.00 0.00 C ATOM 273 NZ LYS A 17 16.364 7.634 -11.169 1.00 0.00 N ATOM 0 H LYS A 17 11.724 4.846 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 17 12.713 5.850 -16.288 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.763 7.478 -15.039 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.340 7.093 -14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.893 5.509 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.225 6.328 -13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.371 8.528 -12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.020 7.723 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.557 8.047 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.778 6.364 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.885 7.473 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.718 6.986 -11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.504 8.617 -11.479 1.00 0.00 H new ATOM 287 N ILE A 18 14.557 3.625 -14.771 1.00 0.00 N ATOM 288 CA ILE A 18 15.797 2.857 -14.758 1.00 0.00 C ATOM 289 C ILE A 18 15.966 2.180 -16.121 1.00 0.00 C ATOM 290 O ILE A 18 15.037 1.535 -16.607 1.00 0.00 O ATOM 291 CB ILE A 18 15.744 1.868 -13.566 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.527 2.585 -12.209 1.00 0.00 C ATOM 293 CG2 ILE A 18 16.995 0.985 -13.469 1.00 0.00 C ATOM 294 CD1 ILE A 18 16.550 3.675 -11.860 1.00 0.00 C ATOM 0 H ILE A 18 13.880 3.298 -14.082 1.00 0.00 H new ATOM 0 HA ILE A 18 16.675 3.485 -14.611 1.00 0.00 H new ATOM 0 HB ILE A 18 14.884 1.231 -13.772 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.533 3.033 -12.211 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.538 1.836 -11.417 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.901 0.313 -12.616 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.099 0.399 -14.382 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.875 1.614 -13.340 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.303 4.109 -10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.548 3.238 -11.818 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.527 4.453 -12.623 1.00 0.00 H new ATOM 306 N LYS A 19 17.115 2.371 -16.779 1.00 0.00 N ATOM 307 CA LYS A 19 17.427 1.742 -18.067 1.00 0.00 C ATOM 308 C LYS A 19 17.608 0.232 -17.869 1.00 0.00 C ATOM 309 O LYS A 19 17.930 -0.206 -16.764 1.00 0.00 O ATOM 310 CB LYS A 19 18.690 2.426 -18.630 1.00 0.00 C ATOM 311 CG LYS A 19 19.016 2.087 -20.093 1.00 0.00 C ATOM 312 CD LYS A 19 20.233 2.891 -20.573 1.00 0.00 C ATOM 313 CE LYS A 19 20.571 2.545 -22.031 1.00 0.00 C ATOM 314 NZ LYS A 19 21.744 3.306 -22.532 1.00 0.00 N ATOM 0 H LYS A 19 17.861 2.972 -16.429 1.00 0.00 H new ATOM 0 HA LYS A 19 16.617 1.868 -18.785 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.570 3.506 -18.541 1.00 0.00 H new ATOM 0 HB3 LYS A 19 19.542 2.148 -18.010 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.217 1.020 -20.189 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.155 2.308 -20.724 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.028 3.958 -20.485 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.091 2.678 -19.935 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.772 1.477 -22.112 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.707 2.755 -22.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.935 3.040 -23.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.544 4.325 -22.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 22.576 3.086 -21.948 1.00 0.00 H new ATOM 328 N LYS A 20 17.495 -0.568 -18.936 1.00 0.00 N ATOM 329 CA LYS A 20 17.737 -2.018 -18.879 1.00 0.00 C ATOM 330 C LYS A 20 19.115 -2.312 -18.287 1.00 0.00 C ATOM 331 O LYS A 20 19.236 -3.173 -17.422 1.00 0.00 O ATOM 332 CB LYS A 20 17.608 -2.640 -20.283 1.00 0.00 C ATOM 333 CG LYS A 20 17.784 -4.170 -20.253 1.00 0.00 C ATOM 334 CD LYS A 20 17.837 -4.760 -21.671 1.00 0.00 C ATOM 335 CE LYS A 20 18.121 -6.267 -21.605 1.00 0.00 C ATOM 336 NZ LYS A 20 18.234 -6.882 -22.952 1.00 0.00 N ATOM 0 H LYS A 20 17.234 -0.231 -19.863 1.00 0.00 H new ATOM 0 HA LYS A 20 16.984 -2.467 -18.231 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.631 -2.395 -20.700 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.356 -2.202 -20.944 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.700 -4.421 -19.719 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.960 -4.621 -19.701 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.891 -4.582 -22.183 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.612 -4.261 -22.252 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.046 -6.436 -21.053 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.323 -6.760 -21.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.426 -7.899 -22.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.343 -6.746 -23.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.012 -6.432 -23.475 1.00 0.00 H new ATOM 350 N GLU A 21 20.145 -1.595 -18.738 1.00 0.00 N ATOM 351 CA GLU A 21 21.508 -1.796 -18.260 1.00 0.00 C ATOM 352 C GLU A 21 21.608 -1.481 -16.764 1.00 0.00 C ATOM 353 O GLU A 21 22.294 -2.189 -16.030 1.00 0.00 O ATOM 354 CB GLU A 21 22.457 -0.929 -19.098 1.00 0.00 C ATOM 355 CG GLU A 21 23.905 -0.983 -18.590 1.00 0.00 C ATOM 356 CD GLU A 21 24.875 -0.305 -19.574 1.00 0.00 C ATOM 357 OE1 GLU A 21 25.084 0.926 -19.482 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.456 -0.999 -20.439 1.00 0.00 O ATOM 0 H GLU A 21 20.056 -0.862 -19.442 1.00 0.00 H new ATOM 0 HA GLU A 21 21.796 -2.840 -18.378 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.427 -1.261 -20.136 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.109 0.104 -19.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.969 -0.493 -17.619 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.201 -2.022 -18.443 1.00 0.00 H new ATOM 365 N GLU A 22 20.908 -0.447 -16.295 1.00 0.00 N ATOM 366 CA GLU A 22 20.953 -0.040 -14.897 1.00 0.00 C ATOM 367 C GLU A 22 20.212 -1.056 -14.023 1.00 0.00 C ATOM 368 O GLU A 22 20.688 -1.399 -12.942 1.00 0.00 O ATOM 369 CB GLU A 22 20.346 1.356 -14.739 1.00 0.00 C ATOM 370 CG GLU A 22 21.173 2.442 -15.441 1.00 0.00 C ATOM 371 CD GLU A 22 20.488 3.819 -15.344 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.276 3.925 -15.643 1.00 0.00 O ATOM 373 OE2 GLU A 22 21.168 4.808 -14.979 1.00 0.00 O ATOM 0 H GLU A 22 20.297 0.128 -16.875 1.00 0.00 H new ATOM 0 HA GLU A 22 21.993 -0.005 -14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.334 1.356 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.265 1.595 -13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.165 2.494 -14.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.312 2.176 -16.489 1.00 0.00 H new ATOM 380 N LEU A 23 19.084 -1.586 -14.508 1.00 0.00 N ATOM 381 CA LEU A 23 18.354 -2.687 -13.887 1.00 0.00 C ATOM 382 C LEU A 23 19.277 -3.896 -13.772 1.00 0.00 C ATOM 383 O LEU A 23 19.449 -4.441 -12.682 1.00 0.00 O ATOM 384 CB LEU A 23 17.077 -2.954 -14.726 1.00 0.00 C ATOM 385 CG LEU A 23 16.249 -4.229 -14.460 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.888 -5.523 -14.973 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.905 -4.358 -12.977 1.00 0.00 C ATOM 0 H LEU A 23 18.646 -1.250 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 23 18.033 -2.448 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.414 -2.099 -14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.372 -2.968 -15.775 1.00 0.00 H new ATOM 0 HG LEU A 23 15.336 -4.100 -15.041 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.237 -6.366 -14.742 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.028 -5.457 -16.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.854 -5.668 -14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.321 -5.264 -12.816 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.824 -4.410 -12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.324 -3.492 -12.662 1.00 0.00 H new ATOM 399 N LYS A 24 19.910 -4.292 -14.878 1.00 0.00 N ATOM 400 CA LYS A 24 20.815 -5.435 -14.939 1.00 0.00 C ATOM 401 C LYS A 24 21.956 -5.259 -13.940 1.00 0.00 C ATOM 402 O LYS A 24 22.214 -6.162 -13.141 1.00 0.00 O ATOM 403 CB LYS A 24 21.278 -5.574 -16.400 1.00 0.00 C ATOM 404 CG LYS A 24 22.418 -6.574 -16.636 1.00 0.00 C ATOM 405 CD LYS A 24 22.693 -6.679 -18.146 1.00 0.00 C ATOM 406 CE LYS A 24 24.087 -7.240 -18.464 1.00 0.00 C ATOM 407 NZ LYS A 24 24.264 -8.654 -18.045 1.00 0.00 N ATOM 0 H LYS A 24 19.804 -3.815 -15.773 1.00 0.00 H new ATOM 0 HA LYS A 24 20.323 -6.363 -14.648 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.424 -5.873 -17.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.596 -4.595 -16.757 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.317 -6.249 -16.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.150 -7.551 -16.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.937 -7.317 -18.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 22.593 -5.692 -18.598 1.00 0.00 H new ATOM 0 HE2 LYS A 24 24.266 -7.162 -19.536 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.839 -6.625 -17.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.224 -8.970 -18.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.123 -8.732 -17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 23.568 -9.251 -18.536 1.00 0.00 H new ATOM 421 N LYS A 25 22.599 -4.088 -13.935 1.00 0.00 N ATOM 422 CA LYS A 25 23.666 -3.762 -12.996 1.00 0.00 C ATOM 423 C LYS A 25 23.158 -3.868 -11.562 1.00 0.00 C ATOM 424 O LYS A 25 23.821 -4.490 -10.739 1.00 0.00 O ATOM 425 CB LYS A 25 24.207 -2.358 -13.323 1.00 0.00 C ATOM 426 CG LYS A 25 25.322 -1.851 -12.392 1.00 0.00 C ATOM 427 CD LYS A 25 26.576 -2.739 -12.400 1.00 0.00 C ATOM 428 CE LYS A 25 27.677 -2.087 -11.551 1.00 0.00 C ATOM 429 NZ LYS A 25 28.932 -2.880 -11.547 1.00 0.00 N ATOM 0 H LYS A 25 22.389 -3.335 -14.590 1.00 0.00 H new ATOM 0 HA LYS A 25 24.486 -4.473 -13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.583 -2.361 -14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.379 -1.650 -13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.600 -0.840 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 25 24.936 -1.790 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.337 -3.727 -12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.927 -2.880 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.883 -1.087 -11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.321 -1.969 -10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 29.644 -2.400 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.744 -3.826 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.288 -2.971 -12.520 1.00 0.00 H new ATOM 443 N SER A 26 21.995 -3.298 -11.255 1.00 0.00 N ATOM 444 CA SER A 26 21.469 -3.255 -9.896 1.00 0.00 C ATOM 445 C SER A 26 21.106 -4.652 -9.385 1.00 0.00 C ATOM 446 O SER A 26 21.384 -4.986 -8.231 1.00 0.00 O ATOM 447 CB SER A 26 20.277 -2.297 -9.839 1.00 0.00 C ATOM 448 OG SER A 26 20.660 -1.015 -10.295 1.00 0.00 O ATOM 0 H SER A 26 21.390 -2.852 -11.945 1.00 0.00 H new ATOM 0 HA SER A 26 22.246 -2.880 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.462 -2.681 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 26 19.902 -2.231 -8.818 1.00 0.00 H new ATOM 0 HG SER A 26 20.527 -0.959 -11.264 1.00 0.00 H new ATOM 454 N LEU A 27 20.540 -5.501 -10.244 1.00 0.00 N ATOM 455 CA LEU A 27 20.249 -6.890 -9.907 1.00 0.00 C ATOM 456 C LEU A 27 21.552 -7.632 -9.616 1.00 0.00 C ATOM 457 O LEU A 27 21.656 -8.293 -8.585 1.00 0.00 O ATOM 458 CB LEU A 27 19.489 -7.584 -11.048 1.00 0.00 C ATOM 459 CG LEU A 27 18.002 -7.211 -11.174 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.387 -7.940 -12.363 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.183 -7.600 -9.948 1.00 0.00 C ATOM 0 H LEU A 27 20.271 -5.242 -11.193 1.00 0.00 H new ATOM 0 HA LEU A 27 19.617 -6.907 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.986 -7.348 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.565 -8.662 -10.909 1.00 0.00 H new ATOM 0 HG LEU A 27 17.973 -6.128 -11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.334 -7.673 -12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.909 -7.653 -13.276 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.478 -9.016 -12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.143 -7.311 -10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.242 -8.678 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.578 -7.090 -9.070 1.00 0.00 H new ATOM 473 N TYR A 28 22.564 -7.495 -10.474 1.00 0.00 N ATOM 474 CA TYR A 28 23.852 -8.141 -10.247 1.00 0.00 C ATOM 475 C TYR A 28 24.537 -7.602 -8.982 1.00 0.00 C ATOM 476 O TYR A 28 25.211 -8.354 -8.279 1.00 0.00 O ATOM 477 CB TYR A 28 24.737 -7.978 -11.488 1.00 0.00 C ATOM 478 CG TYR A 28 25.991 -8.832 -11.441 1.00 0.00 C ATOM 479 CD1 TYR A 28 25.901 -10.219 -11.672 1.00 0.00 C ATOM 480 CD2 TYR A 28 27.238 -8.252 -11.137 1.00 0.00 C ATOM 481 CE1 TYR A 28 27.050 -11.026 -11.600 1.00 0.00 C ATOM 482 CE2 TYR A 28 28.393 -9.053 -11.065 1.00 0.00 C ATOM 483 CZ TYR A 28 28.304 -10.446 -11.295 1.00 0.00 C ATOM 484 OH TYR A 28 29.411 -11.238 -11.226 1.00 0.00 O ATOM 0 H TYR A 28 22.514 -6.943 -11.330 1.00 0.00 H new ATOM 0 HA TYR A 28 23.686 -9.205 -10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.160 -8.239 -12.375 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.021 -6.931 -11.589 1.00 0.00 H new ATOM 0 HD1 TYR A 28 24.945 -10.664 -11.905 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.308 -7.189 -10.959 1.00 0.00 H new ATOM 0 HE1 TYR A 28 26.975 -12.089 -11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 28 29.348 -8.604 -10.834 1.00 0.00 H new ATOM 0 HH TYR A 28 30.193 -10.689 -11.008 1.00 0.00 H new ATOM 494 N ALA A 29 24.358 -6.317 -8.663 1.00 0.00 N ATOM 495 CA ALA A 29 24.958 -5.694 -7.493 1.00 0.00 C ATOM 496 C ALA A 29 24.282 -6.126 -6.186 1.00 0.00 C ATOM 497 O ALA A 29 24.974 -6.239 -5.174 1.00 0.00 O ATOM 498 CB ALA A 29 24.898 -4.168 -7.635 1.00 0.00 C ATOM 0 H ALA A 29 23.787 -5.680 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 29 25.995 -6.025 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.348 -3.703 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.445 -3.864 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.859 -3.851 -7.721 1.00 0.00 H new ATOM 504 N ILE A 30 22.964 -6.370 -6.181 1.00 0.00 N ATOM 505 CA ILE A 30 22.207 -6.569 -4.939 1.00 0.00 C ATOM 506 C ILE A 30 21.593 -7.966 -4.906 1.00 0.00 C ATOM 507 O ILE A 30 21.880 -8.722 -3.982 1.00 0.00 O ATOM 508 CB ILE A 30 21.141 -5.455 -4.750 1.00 0.00 C ATOM 509 CG1 ILE A 30 21.750 -4.038 -4.908 1.00 0.00 C ATOM 510 CG2 ILE A 30 20.470 -5.591 -3.371 1.00 0.00 C ATOM 511 CD1 ILE A 30 20.745 -2.883 -4.797 1.00 0.00 C ATOM 0 H ILE A 30 22.399 -6.434 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 30 22.894 -6.494 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 30 20.392 -5.581 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 30 22.520 -3.903 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 30 22.244 -3.978 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 30 19.725 -4.805 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 30 19.986 -6.565 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 30 21.224 -5.500 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 30 21.266 -1.934 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.987 -2.985 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.267 -2.909 -3.818 1.00 0.00 H new ATOM 523 N PHE A 31 20.782 -8.348 -5.894 1.00 0.00 N ATOM 524 CA PHE A 31 20.057 -9.618 -5.859 1.00 0.00 C ATOM 525 C PHE A 31 21.017 -10.811 -5.902 1.00 0.00 C ATOM 526 O PHE A 31 20.708 -11.841 -5.303 1.00 0.00 O ATOM 527 CB PHE A 31 19.011 -9.695 -6.981 1.00 0.00 C ATOM 528 CG PHE A 31 17.673 -9.035 -6.686 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.562 -7.634 -6.602 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.513 -9.825 -6.562 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.298 -7.034 -6.451 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.252 -9.226 -6.399 1.00 0.00 C ATOM 533 CZ PHE A 31 15.143 -7.827 -6.356 1.00 0.00 C ATOM 0 H PHE A 31 20.611 -7.792 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 31 19.522 -9.666 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.431 -9.236 -7.876 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.833 -10.745 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.448 -7.019 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.594 -10.902 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.216 -5.958 -6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.369 -9.841 -6.307 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.174 -7.362 -6.250 1.00 0.00 H new ATOM 543 N SER A 32 22.207 -10.696 -6.513 1.00 0.00 N ATOM 544 CA SER A 32 23.198 -11.766 -6.404 1.00 0.00 C ATOM 545 C SER A 32 23.608 -12.039 -4.954 1.00 0.00 C ATOM 546 O SER A 32 23.810 -13.206 -4.618 1.00 0.00 O ATOM 547 CB SER A 32 24.441 -11.512 -7.260 1.00 0.00 C ATOM 548 OG SER A 32 24.245 -12.009 -8.573 1.00 0.00 O ATOM 0 H SER A 32 22.497 -9.894 -7.072 1.00 0.00 H new ATOM 0 HA SER A 32 22.701 -12.655 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.654 -10.444 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 32 25.307 -11.994 -6.807 1.00 0.00 H new ATOM 0 HG SER A 32 25.047 -11.839 -9.110 1.00 0.00 H new ATOM 554 N GLN A 33 23.649 -11.027 -4.079 1.00 0.00 N ATOM 555 CA GLN A 33 23.971 -11.219 -2.664 1.00 0.00 C ATOM 556 C GLN A 33 22.903 -12.063 -1.949 1.00 0.00 C ATOM 557 O GLN A 33 23.166 -12.573 -0.859 1.00 0.00 O ATOM 558 CB GLN A 33 24.130 -9.871 -1.934 1.00 0.00 C ATOM 559 CG GLN A 33 25.157 -8.921 -2.573 1.00 0.00 C ATOM 560 CD GLN A 33 25.354 -7.644 -1.746 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.511 -7.681 -0.527 1.00 0.00 O ATOM 562 NE2 GLN A 33 25.358 -6.481 -2.376 1.00 0.00 N ATOM 0 H GLN A 33 23.461 -10.057 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 33 24.920 -11.754 -2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.161 -9.372 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.423 -10.063 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 33 26.112 -9.436 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 33 24.828 -8.655 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 33 25.228 -6.448 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.491 -5.617 -1.851 1.00 0.00 H new ATOM 571 N PHE A 34 21.717 -12.224 -2.551 1.00 0.00 N ATOM 572 CA PHE A 34 20.561 -12.853 -1.931 1.00 0.00 C ATOM 573 C PHE A 34 20.081 -14.094 -2.694 1.00 0.00 C ATOM 574 O PHE A 34 19.231 -14.806 -2.163 1.00 0.00 O ATOM 575 CB PHE A 34 19.457 -11.797 -1.749 1.00 0.00 C ATOM 576 CG PHE A 34 19.884 -10.608 -0.900 1.00 0.00 C ATOM 577 CD1 PHE A 34 20.236 -10.815 0.450 1.00 0.00 C ATOM 578 CD2 PHE A 34 19.961 -9.308 -1.444 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.660 -9.739 1.250 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.380 -8.234 -0.638 1.00 0.00 C ATOM 581 CZ PHE A 34 20.731 -8.447 0.706 1.00 0.00 C ATOM 0 H PHE A 34 21.539 -11.910 -3.505 1.00 0.00 H new ATOM 0 HA PHE A 34 20.848 -13.230 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.144 -11.439 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.588 -12.268 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.179 -11.807 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.699 -9.138 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 34 20.931 -9.907 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 34 20.432 -7.239 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 34 21.055 -7.619 1.319 1.00 0.00 H new ATOM 591 N GLY A 35 20.632 -14.412 -3.873 1.00 0.00 N ATOM 592 CA GLY A 35 20.293 -15.652 -4.572 1.00 0.00 C ATOM 593 C GLY A 35 21.177 -16.034 -5.761 1.00 0.00 C ATOM 594 O GLY A 35 20.873 -17.029 -6.413 1.00 0.00 O ATOM 0 H GLY A 35 21.312 -13.828 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.322 -16.468 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.264 -15.574 -4.924 1.00 0.00 H new ATOM 598 N GLN A 36 22.249 -15.284 -6.037 1.00 0.00 N ATOM 599 CA GLN A 36 23.117 -15.359 -7.220 1.00 0.00 C ATOM 600 C GLN A 36 22.352 -15.448 -8.561 1.00 0.00 C ATOM 601 O GLN A 36 21.836 -16.495 -8.960 1.00 0.00 O ATOM 602 CB GLN A 36 24.228 -16.410 -7.030 1.00 0.00 C ATOM 603 CG GLN A 36 25.581 -15.943 -7.604 1.00 0.00 C ATOM 604 CD GLN A 36 25.565 -15.816 -9.130 1.00 0.00 C ATOM 605 OE1 GLN A 36 25.731 -16.805 -9.837 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.343 -14.625 -9.672 1.00 0.00 N ATOM 0 H GLN A 36 22.556 -14.555 -5.393 1.00 0.00 H new ATOM 0 HA GLN A 36 23.626 -14.399 -7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.342 -16.627 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.932 -17.340 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.843 -14.980 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 36 26.358 -16.649 -7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 36 25.206 -13.810 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.309 -14.525 -10.686 1.00 0.00 H new ATOM 615 N ILE A 37 22.301 -14.313 -9.265 1.00 0.00 N ATOM 616 CA ILE A 37 21.750 -14.161 -10.610 1.00 0.00 C ATOM 617 C ILE A 37 22.287 -15.244 -11.555 1.00 0.00 C ATOM 618 O ILE A 37 23.502 -15.422 -11.673 1.00 0.00 O ATOM 619 CB ILE A 37 22.141 -12.755 -11.134 1.00 0.00 C ATOM 620 CG1 ILE A 37 21.565 -11.598 -10.285 1.00 0.00 C ATOM 621 CG2 ILE A 37 21.779 -12.569 -12.618 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.047 -11.463 -10.327 1.00 0.00 C ATOM 0 H ILE A 37 22.661 -13.434 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 37 20.666 -14.268 -10.573 1.00 0.00 H new ATOM 0 HB ILE A 37 23.226 -12.707 -11.036 1.00 0.00 H new ATOM 0 HG12 ILE A 37 21.874 -11.739 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 22.008 -10.662 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 37 22.071 -11.570 -12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 37 22.305 -13.313 -13.217 1.00 0.00 H new ATOM 0 HG23 ILE A 37 20.704 -12.693 -12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.739 -10.625 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.726 -11.287 -11.354 1.00 0.00 H new ATOM 0 HD13 ILE A 37 19.590 -12.380 -9.956 1.00 0.00 H new ATOM 634 N LEU A 38 21.389 -15.881 -12.311 1.00 0.00 N ATOM 635 CA LEU A 38 21.717 -16.775 -13.410 1.00 0.00 C ATOM 636 C LEU A 38 21.316 -16.128 -14.740 1.00 0.00 C ATOM 637 O LEU A 38 22.080 -16.237 -15.699 1.00 0.00 O ATOM 638 CB LEU A 38 21.022 -18.129 -13.192 1.00 0.00 C ATOM 639 CG LEU A 38 21.303 -19.172 -14.290 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.797 -19.493 -14.423 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.547 -20.460 -13.955 1.00 0.00 C ATOM 0 H LEU A 38 20.384 -15.782 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 38 22.792 -16.954 -13.444 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.339 -18.536 -12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.946 -17.966 -13.130 1.00 0.00 H new ATOM 0 HG LEU A 38 20.969 -18.752 -15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.941 -20.233 -15.210 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.343 -18.584 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.169 -19.890 -13.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.739 -21.206 -14.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.885 -20.840 -12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.478 -20.253 -13.909 1.00 0.00 H new ATOM 653 N ASP A 39 20.181 -15.415 -14.811 1.00 0.00 N ATOM 654 CA ASP A 39 19.798 -14.633 -16.001 1.00 0.00 C ATOM 655 C ASP A 39 18.786 -13.544 -15.619 1.00 0.00 C ATOM 656 O ASP A 39 18.184 -13.628 -14.552 1.00 0.00 O ATOM 657 CB ASP A 39 19.230 -15.554 -17.099 1.00 0.00 C ATOM 658 CG ASP A 39 18.925 -14.805 -18.409 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.682 -13.878 -18.772 1.00 0.00 O ATOM 660 OD2 ASP A 39 17.943 -15.167 -19.093 1.00 0.00 O ATOM 0 H ASP A 39 19.504 -15.363 -14.050 1.00 0.00 H new ATOM 0 HA ASP A 39 20.689 -14.148 -16.400 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.943 -16.353 -17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.317 -16.025 -16.735 1.00 0.00 H new ATOM 665 N ILE A 40 18.587 -12.520 -16.452 1.00 0.00 N ATOM 666 CA ILE A 40 17.775 -11.330 -16.180 1.00 0.00 C ATOM 667 C ILE A 40 16.997 -11.006 -17.463 1.00 0.00 C ATOM 668 O ILE A 40 17.533 -11.149 -18.565 1.00 0.00 O ATOM 669 CB ILE A 40 18.699 -10.156 -15.749 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.315 -10.428 -14.355 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.953 -8.806 -15.747 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.458 -9.499 -13.923 1.00 0.00 C ATOM 0 H ILE A 40 19.008 -12.496 -17.381 1.00 0.00 H new ATOM 0 HA ILE A 40 17.072 -11.499 -15.364 1.00 0.00 H new ATOM 0 HB ILE A 40 19.500 -10.091 -16.485 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.521 -10.362 -13.611 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.683 -11.454 -14.338 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.636 -8.014 -15.440 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.580 -8.595 -16.749 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.116 -8.854 -15.050 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.807 -9.788 -12.931 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.280 -9.579 -14.634 1.00 0.00 H new ATOM 0 HD13 ILE A 40 20.100 -8.470 -13.896 1.00 0.00 H new ATOM 684 N VAL A 41 15.754 -10.531 -17.321 1.00 0.00 N ATOM 685 CA VAL A 41 14.864 -10.186 -18.423 1.00 0.00 C ATOM 686 C VAL A 41 14.120 -8.890 -18.064 1.00 0.00 C ATOM 687 O VAL A 41 13.176 -8.893 -17.272 1.00 0.00 O ATOM 688 CB VAL A 41 13.896 -11.358 -18.726 1.00 0.00 C ATOM 689 CG1 VAL A 41 13.013 -11.051 -19.947 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.617 -12.692 -18.988 1.00 0.00 C ATOM 0 H VAL A 41 15.332 -10.373 -16.406 1.00 0.00 H new ATOM 0 HA VAL A 41 15.436 -10.014 -19.335 1.00 0.00 H new ATOM 0 HB VAL A 41 13.289 -11.462 -17.827 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.345 -11.892 -20.134 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.423 -10.155 -19.753 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.644 -10.888 -20.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.881 -13.469 -19.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.280 -12.585 -19.846 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.201 -12.968 -18.110 1.00 0.00 H new ATOM 700 N ALA A 42 14.563 -7.775 -18.644 1.00 0.00 N ATOM 701 CA ALA A 42 13.900 -6.478 -18.646 1.00 0.00 C ATOM 702 C ALA A 42 14.189 -5.851 -20.016 1.00 0.00 C ATOM 703 O ALA A 42 15.072 -6.328 -20.733 1.00 0.00 O ATOM 704 CB ALA A 42 14.436 -5.601 -17.511 1.00 0.00 C ATOM 0 H ALA A 42 15.446 -7.755 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 42 12.827 -6.576 -18.484 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.930 -4.636 -17.527 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.253 -6.091 -16.555 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.508 -5.451 -17.642 1.00 0.00 H new ATOM 710 N LEU A 43 13.482 -4.783 -20.382 1.00 0.00 N ATOM 711 CA LEU A 43 13.644 -4.078 -21.654 1.00 0.00 C ATOM 712 C LEU A 43 13.499 -2.580 -21.402 1.00 0.00 C ATOM 713 O LEU A 43 13.019 -2.160 -20.350 1.00 0.00 O ATOM 714 CB LEU A 43 12.588 -4.527 -22.687 1.00 0.00 C ATOM 715 CG LEU A 43 12.635 -6.003 -23.123 1.00 0.00 C ATOM 716 CD1 LEU A 43 11.412 -6.324 -23.990 1.00 0.00 C ATOM 717 CD2 LEU A 43 13.904 -6.325 -23.923 1.00 0.00 C ATOM 0 H LEU A 43 12.762 -4.373 -19.787 1.00 0.00 H new ATOM 0 HA LEU A 43 14.629 -4.310 -22.059 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.600 -4.325 -22.274 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.695 -3.905 -23.576 1.00 0.00 H new ATOM 0 HG LEU A 43 12.636 -6.610 -22.218 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.448 -7.369 -24.297 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.502 -6.145 -23.416 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.415 -5.686 -24.874 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.896 -7.376 -24.210 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.937 -5.704 -24.818 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.782 -6.123 -23.309 1.00 0.00 H new ATOM 847 N GLY A 50 8.850 -1.169 -16.051 1.00 0.00 N ATOM 848 CA GLY A 50 8.095 -1.122 -14.800 1.00 0.00 C ATOM 849 C GLY A 50 7.908 -2.522 -14.198 1.00 0.00 C ATOM 850 O GLY A 50 7.534 -2.653 -13.029 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.615 -0.485 -14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.120 -0.670 -14.980 1.00 0.00 H new ATOM 854 N GLN A 51 8.211 -3.568 -14.972 1.00 0.00 N ATOM 855 CA GLN A 51 8.232 -4.969 -14.578 1.00 0.00 C ATOM 856 C GLN A 51 9.566 -5.567 -15.031 1.00 0.00 C ATOM 857 O GLN A 51 10.214 -5.013 -15.920 1.00 0.00 O ATOM 858 CB GLN A 51 7.086 -5.743 -15.257 1.00 0.00 C ATOM 859 CG GLN A 51 5.685 -5.172 -15.004 1.00 0.00 C ATOM 860 CD GLN A 51 4.613 -6.084 -15.605 1.00 0.00 C ATOM 861 OE1 GLN A 51 4.576 -6.343 -16.804 1.00 0.00 O ATOM 862 NE2 GLN A 51 3.725 -6.610 -14.785 1.00 0.00 N ATOM 0 H GLN A 51 8.464 -3.445 -15.953 1.00 0.00 H new ATOM 0 HA GLN A 51 8.110 -5.043 -13.497 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.266 -5.762 -16.332 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.110 -6.776 -14.911 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.519 -5.064 -13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.609 -4.176 -15.440 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.759 -6.393 -13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.004 -7.235 -15.146 1.00 0.00 H new ATOM 871 N ALA A 52 9.953 -6.714 -14.472 1.00 0.00 N ATOM 872 CA ALA A 52 11.114 -7.494 -14.893 1.00 0.00 C ATOM 873 C ALA A 52 10.919 -8.950 -14.460 1.00 0.00 C ATOM 874 O ALA A 52 10.013 -9.252 -13.677 1.00 0.00 O ATOM 875 CB ALA A 52 12.395 -6.919 -14.265 1.00 0.00 C ATOM 0 H ALA A 52 9.452 -7.137 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 52 11.213 -7.447 -15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.254 -7.509 -14.586 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.525 -5.885 -14.585 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.316 -6.955 -13.179 1.00 0.00 H new ATOM 881 N PHE A 53 11.798 -9.838 -14.918 1.00 0.00 N ATOM 882 CA PHE A 53 11.906 -11.211 -14.448 1.00 0.00 C ATOM 883 C PHE A 53 13.392 -11.501 -14.286 1.00 0.00 C ATOM 884 O PHE A 53 14.228 -10.880 -14.950 1.00 0.00 O ATOM 885 CB PHE A 53 11.277 -12.221 -15.420 1.00 0.00 C ATOM 886 CG PHE A 53 9.825 -11.983 -15.785 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.509 -11.174 -16.892 1.00 0.00 C ATOM 888 CD2 PHE A 53 8.793 -12.599 -15.053 1.00 0.00 C ATOM 889 CE1 PHE A 53 8.167 -10.961 -17.250 1.00 0.00 C ATOM 890 CE2 PHE A 53 7.452 -12.404 -15.427 1.00 0.00 C ATOM 891 CZ PHE A 53 7.136 -11.575 -16.518 1.00 0.00 C ATOM 0 H PHE A 53 12.474 -9.612 -15.648 1.00 0.00 H new ATOM 0 HA PHE A 53 11.362 -11.317 -13.509 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.865 -12.225 -16.338 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.362 -13.216 -14.983 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.300 -10.716 -17.468 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.031 -13.222 -14.203 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.927 -10.324 -18.089 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.662 -12.892 -14.875 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.105 -11.411 -16.793 1.00 0.00 H new ATOM 901 N VAL A 54 13.740 -12.444 -13.419 1.00 0.00 N ATOM 902 CA VAL A 54 15.128 -12.781 -13.150 1.00 0.00 C ATOM 903 C VAL A 54 15.173 -14.219 -12.636 1.00 0.00 C ATOM 904 O VAL A 54 14.270 -14.661 -11.921 1.00 0.00 O ATOM 905 CB VAL A 54 15.773 -11.702 -12.244 1.00 0.00 C ATOM 906 CG1 VAL A 54 14.913 -11.209 -11.070 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.124 -12.120 -11.669 1.00 0.00 C ATOM 0 H VAL A 54 13.068 -12.994 -12.885 1.00 0.00 H new ATOM 0 HA VAL A 54 15.748 -12.765 -14.046 1.00 0.00 H new ATOM 0 HB VAL A 54 15.888 -10.879 -12.949 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.464 -10.457 -10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.991 -10.771 -11.453 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.673 -12.048 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.518 -11.318 -11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.000 -13.020 -11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.820 -12.321 -12.484 1.00 0.00 H new ATOM 917 N ILE A 55 16.199 -14.943 -13.075 1.00 0.00 N ATOM 918 CA ILE A 55 16.405 -16.371 -12.936 1.00 0.00 C ATOM 919 C ILE A 55 17.656 -16.511 -12.065 1.00 0.00 C ATOM 920 O ILE A 55 18.611 -15.748 -12.246 1.00 0.00 O ATOM 921 CB ILE A 55 16.627 -17.028 -14.328 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.536 -16.823 -15.413 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.793 -18.551 -14.162 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.344 -15.407 -15.981 1.00 0.00 C ATOM 0 H ILE A 55 16.969 -14.503 -13.579 1.00 0.00 H new ATOM 0 HA ILE A 55 15.543 -16.868 -12.491 1.00 0.00 H new ATOM 0 HB ILE A 55 17.513 -16.507 -14.693 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.763 -17.489 -16.245 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.583 -17.148 -14.995 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.948 -19.009 -15.139 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.653 -18.756 -13.524 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.895 -18.967 -13.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.549 -15.419 -16.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.074 -14.725 -15.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.272 -15.072 -16.444 1.00 0.00 H new ATOM 936 N PHE A 56 17.682 -17.501 -11.169 1.00 0.00 N ATOM 937 CA PHE A 56 18.699 -17.644 -10.128 1.00 0.00 C ATOM 938 C PHE A 56 19.387 -19.000 -10.168 1.00 0.00 C ATOM 939 O PHE A 56 18.984 -19.913 -10.889 1.00 0.00 O ATOM 940 CB PHE A 56 18.042 -17.448 -8.759 1.00 0.00 C ATOM 941 CG PHE A 56 17.592 -16.029 -8.546 1.00 0.00 C ATOM 942 CD1 PHE A 56 18.505 -15.084 -8.053 1.00 0.00 C ATOM 943 CD2 PHE A 56 16.298 -15.637 -8.924 1.00 0.00 C ATOM 944 CE1 PHE A 56 18.123 -13.738 -7.923 1.00 0.00 C ATOM 945 CE2 PHE A 56 15.926 -14.292 -8.817 1.00 0.00 C ATOM 946 CZ PHE A 56 16.832 -13.342 -8.317 1.00 0.00 C ATOM 0 H PHE A 56 16.980 -18.241 -11.148 1.00 0.00 H new ATOM 0 HA PHE A 56 19.463 -16.887 -10.305 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.186 -18.117 -8.669 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.747 -17.726 -7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.502 -15.391 -7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.595 -16.368 -9.295 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.816 -13.012 -7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.937 -13.983 -9.121 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.537 -12.306 -8.235 1.00 0.00 H new ATOM 956 N LYS A 57 20.427 -19.120 -9.343 1.00 0.00 N ATOM 957 CA LYS A 57 21.210 -20.326 -9.130 1.00 0.00 C ATOM 958 C LYS A 57 20.345 -21.562 -8.861 1.00 0.00 C ATOM 959 O LYS A 57 20.598 -22.606 -9.459 1.00 0.00 O ATOM 960 CB LYS A 57 22.177 -20.011 -7.977 1.00 0.00 C ATOM 961 CG LYS A 57 22.993 -21.220 -7.515 1.00 0.00 C ATOM 962 CD LYS A 57 24.158 -20.835 -6.588 1.00 0.00 C ATOM 963 CE LYS A 57 23.759 -20.076 -5.310 1.00 0.00 C ATOM 964 NZ LYS A 57 22.923 -20.882 -4.386 1.00 0.00 N ATOM 0 H LYS A 57 20.758 -18.337 -8.780 1.00 0.00 H new ATOM 0 HA LYS A 57 21.760 -20.590 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.859 -19.221 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.608 -19.623 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.337 -21.918 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 23.386 -21.742 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.687 -21.743 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.861 -20.221 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 24.661 -19.757 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 57 23.215 -19.173 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.047 -20.535 -3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.923 -20.797 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 23.212 -21.880 -4.437 1.00 0.00 H new ATOM 978 N GLU A 58 19.344 -21.467 -7.983 1.00 0.00 N ATOM 979 CA GLU A 58 18.510 -22.595 -7.570 1.00 0.00 C ATOM 980 C GLU A 58 17.179 -22.042 -7.051 1.00 0.00 C ATOM 981 O GLU A 58 17.106 -20.867 -6.685 1.00 0.00 O ATOM 982 CB GLU A 58 19.264 -23.393 -6.484 1.00 0.00 C ATOM 983 CG GLU A 58 18.610 -24.735 -6.125 1.00 0.00 C ATOM 984 CD GLU A 58 19.500 -25.559 -5.178 1.00 0.00 C ATOM 985 OE1 GLU A 58 19.375 -25.417 -3.940 1.00 0.00 O ATOM 986 OE2 GLU A 58 20.317 -26.378 -5.659 1.00 0.00 O ATOM 0 H GLU A 58 19.087 -20.589 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 58 18.302 -23.269 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.283 -23.577 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.335 -22.783 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.643 -24.556 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.420 -25.304 -7.035 1.00 0.00 H new ATOM 993 N ILE A 59 16.131 -22.872 -6.987 1.00 0.00 N ATOM 994 CA ILE A 59 14.796 -22.467 -6.531 1.00 0.00 C ATOM 995 C ILE A 59 14.810 -21.916 -5.095 1.00 0.00 C ATOM 996 O ILE A 59 14.057 -20.991 -4.786 1.00 0.00 O ATOM 997 CB ILE A 59 13.779 -23.625 -6.707 1.00 0.00 C ATOM 998 CG1 ILE A 59 13.989 -24.792 -5.711 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.788 -24.136 -8.158 1.00 0.00 C ATOM 1000 CD1 ILE A 59 12.997 -25.952 -5.875 1.00 0.00 C ATOM 0 H ILE A 59 16.187 -23.855 -7.253 1.00 0.00 H new ATOM 0 HA ILE A 59 14.469 -21.642 -7.164 1.00 0.00 H new ATOM 0 HB ILE A 59 12.799 -23.208 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.002 -25.177 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.912 -24.405 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.068 -24.948 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.518 -23.323 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.784 -24.500 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.216 -26.725 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.981 -25.586 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.088 -26.370 -6.878 1.00 0.00 H new ATOM 1012 N GLY A 60 15.672 -22.438 -4.218 1.00 0.00 N ATOM 1013 CA GLY A 60 15.789 -21.943 -2.849 1.00 0.00 C ATOM 1014 C GLY A 60 16.484 -20.585 -2.823 1.00 0.00 C ATOM 1015 O GLY A 60 16.084 -19.694 -2.071 1.00 0.00 O ATOM 0 H GLY A 60 16.302 -23.209 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.799 -21.859 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.351 -22.656 -2.246 1.00 0.00 H new ATOM 1019 N SER A 61 17.479 -20.394 -3.690 1.00 0.00 N ATOM 1020 CA SER A 61 18.195 -19.133 -3.821 1.00 0.00 C ATOM 1021 C SER A 61 17.253 -18.060 -4.380 1.00 0.00 C ATOM 1022 O SER A 61 17.216 -16.942 -3.866 1.00 0.00 O ATOM 1023 CB SER A 61 19.425 -19.337 -4.715 1.00 0.00 C ATOM 1024 OG SER A 61 20.080 -20.564 -4.417 1.00 0.00 O ATOM 0 H SER A 61 17.811 -21.120 -4.325 1.00 0.00 H new ATOM 0 HA SER A 61 18.541 -18.792 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 61 19.122 -19.328 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 61 20.119 -18.508 -4.577 1.00 0.00 H new ATOM 0 HG SER A 61 20.470 -20.517 -3.519 1.00 0.00 H new ATOM 1030 N ALA A 62 16.431 -18.428 -5.370 1.00 0.00 N ATOM 1031 CA ALA A 62 15.376 -17.578 -5.898 1.00 0.00 C ATOM 1032 C ALA A 62 14.411 -17.183 -4.783 1.00 0.00 C ATOM 1033 O ALA A 62 14.114 -16.001 -4.637 1.00 0.00 O ATOM 1034 CB ALA A 62 14.616 -18.317 -7.000 1.00 0.00 C ATOM 0 H ALA A 62 16.487 -19.338 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 62 15.826 -16.676 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.827 -17.675 -7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.304 -18.578 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.175 -19.226 -6.591 1.00 0.00 H new ATOM 1040 N SER A 63 13.952 -18.146 -3.978 1.00 0.00 N ATOM 1041 CA SER A 63 13.018 -17.892 -2.884 1.00 0.00 C ATOM 1042 C SER A 63 13.596 -16.896 -1.879 1.00 0.00 C ATOM 1043 O SER A 63 12.896 -15.984 -1.434 1.00 0.00 O ATOM 1044 CB SER A 63 12.657 -19.203 -2.176 1.00 0.00 C ATOM 1045 OG SER A 63 12.144 -20.153 -3.087 1.00 0.00 O ATOM 0 H SER A 63 14.220 -19.126 -4.069 1.00 0.00 H new ATOM 0 HA SER A 63 12.115 -17.456 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.541 -19.608 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.920 -19.007 -1.397 1.00 0.00 H new ATOM 0 HG SER A 63 12.884 -20.570 -3.576 1.00 0.00 H new ATOM 1051 N ASN A 64 14.878 -17.049 -1.542 1.00 0.00 N ATOM 1052 CA ASN A 64 15.540 -16.164 -0.595 1.00 0.00 C ATOM 1053 C ASN A 64 15.637 -14.747 -1.156 1.00 0.00 C ATOM 1054 O ASN A 64 15.285 -13.799 -0.456 1.00 0.00 O ATOM 1055 CB ASN A 64 16.923 -16.697 -0.211 1.00 0.00 C ATOM 1056 CG ASN A 64 17.520 -15.821 0.886 1.00 0.00 C ATOM 1057 OD1 ASN A 64 17.136 -15.918 2.047 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.452 -14.948 0.549 1.00 0.00 N ATOM 0 H ASN A 64 15.478 -17.784 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 64 14.935 -16.131 0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.844 -17.728 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.577 -16.703 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.864 -14.342 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.760 -14.880 -0.421 1.00 0.00 H new ATOM 1065 N ALA A 65 16.055 -14.602 -2.416 1.00 0.00 N ATOM 1066 CA ALA A 65 16.111 -13.318 -3.103 1.00 0.00 C ATOM 1067 C ALA A 65 14.731 -12.663 -3.105 1.00 0.00 C ATOM 1068 O ALA A 65 14.595 -11.516 -2.684 1.00 0.00 O ATOM 1069 CB ALA A 65 16.621 -13.517 -4.538 1.00 0.00 C ATOM 0 H ALA A 65 16.367 -15.385 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 65 16.802 -12.659 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.661 -12.554 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.619 -13.955 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.946 -14.183 -5.075 1.00 0.00 H new ATOM 1075 N LEU A 66 13.711 -13.415 -3.524 1.00 0.00 N ATOM 1076 CA LEU A 66 12.326 -12.976 -3.620 1.00 0.00 C ATOM 1077 C LEU A 66 11.886 -12.394 -2.282 1.00 0.00 C ATOM 1078 O LEU A 66 11.528 -11.220 -2.205 1.00 0.00 O ATOM 1079 CB LEU A 66 11.464 -14.183 -4.047 1.00 0.00 C ATOM 1080 CG LEU A 66 10.093 -13.876 -4.662 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.428 -15.205 -5.035 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.157 -13.092 -3.740 1.00 0.00 C ATOM 0 H LEU A 66 13.837 -14.384 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 66 12.210 -12.191 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.035 -14.769 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.309 -14.815 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 66 10.267 -13.241 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.450 -15.011 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.052 -15.734 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.309 -15.816 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.209 -12.915 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.979 -13.665 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.615 -12.137 -3.484 1.00 0.00 H new ATOM 1094 N ARG A 67 11.944 -13.188 -1.211 1.00 0.00 N ATOM 1095 CA ARG A 67 11.395 -12.777 0.077 1.00 0.00 C ATOM 1096 C ARG A 67 12.223 -11.659 0.708 1.00 0.00 C ATOM 1097 O ARG A 67 11.642 -10.778 1.339 1.00 0.00 O ATOM 1098 CB ARG A 67 11.300 -13.988 1.017 1.00 0.00 C ATOM 1099 CG ARG A 67 10.186 -14.946 0.562 1.00 0.00 C ATOM 1100 CD ARG A 67 10.130 -16.221 1.412 1.00 0.00 C ATOM 1101 NE ARG A 67 9.681 -15.936 2.785 1.00 0.00 N ATOM 1102 CZ ARG A 67 10.397 -15.976 3.913 1.00 0.00 C ATOM 1103 NH1 ARG A 67 11.682 -16.322 3.918 1.00 0.00 N ATOM 1104 NH2 ARG A 67 9.777 -15.654 5.039 1.00 0.00 N ATOM 0 H ARG A 67 12.365 -14.117 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 67 10.393 -12.381 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.254 -14.515 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.102 -13.650 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.225 -14.434 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.346 -15.215 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.453 -16.939 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.116 -16.685 1.440 1.00 0.00 H new ATOM 0 HE ARG A 67 8.700 -15.675 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.148 -16.566 3.044 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.201 -16.343 4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.792 -15.389 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.285 -15.671 5.924 1.00 0.00 H new ATOM 1118 N THR A 68 13.548 -11.657 0.539 1.00 0.00 N ATOM 1119 CA THR A 68 14.392 -10.601 1.096 1.00 0.00 C ATOM 1120 C THR A 68 14.095 -9.265 0.400 1.00 0.00 C ATOM 1121 O THR A 68 14.021 -8.229 1.064 1.00 0.00 O ATOM 1122 CB THR A 68 15.879 -10.987 0.985 1.00 0.00 C ATOM 1123 OG1 THR A 68 16.099 -12.258 1.564 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.792 -9.991 1.709 1.00 0.00 C ATOM 0 H THR A 68 14.057 -12.374 0.022 1.00 0.00 H new ATOM 0 HA THR A 68 14.164 -10.481 2.155 1.00 0.00 H new ATOM 0 HB THR A 68 16.118 -10.989 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.024 -12.949 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.830 -10.305 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.667 -9.000 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.529 -9.959 2.766 1.00 0.00 H new ATOM 1132 N MET A 69 13.895 -9.282 -0.920 1.00 0.00 N ATOM 1133 CA MET A 69 13.754 -8.067 -1.716 1.00 0.00 C ATOM 1134 C MET A 69 12.290 -7.626 -1.847 1.00 0.00 C ATOM 1135 O MET A 69 12.023 -6.526 -2.327 1.00 0.00 O ATOM 1136 CB MET A 69 14.425 -8.270 -3.082 1.00 0.00 C ATOM 1137 CG MET A 69 15.931 -8.577 -2.959 1.00 0.00 C ATOM 1138 SD MET A 69 16.921 -7.343 -2.062 1.00 0.00 S ATOM 1139 CE MET A 69 16.796 -5.931 -3.192 1.00 0.00 C ATOM 0 H MET A 69 13.827 -10.142 -1.465 1.00 0.00 H new ATOM 0 HA MET A 69 14.260 -7.252 -1.199 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.932 -9.088 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.288 -7.374 -3.687 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.047 -9.539 -2.461 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.343 -8.686 -3.962 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.308 -5.072 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.258 -6.186 -4.146 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.746 -5.685 -3.352 1.00 0.00 H new ATOM 1149 N GLN A 70 11.334 -8.445 -1.405 1.00 0.00 N ATOM 1150 CA GLN A 70 9.921 -8.099 -1.340 1.00 0.00 C ATOM 1151 C GLN A 70 9.752 -6.816 -0.518 1.00 0.00 C ATOM 1152 O GLN A 70 10.192 -6.748 0.631 1.00 0.00 O ATOM 1153 CB GLN A 70 9.152 -9.295 -0.740 1.00 0.00 C ATOM 1154 CG GLN A 70 7.627 -9.144 -0.633 1.00 0.00 C ATOM 1155 CD GLN A 70 6.943 -9.097 -1.999 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.171 -8.192 -2.796 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.112 -10.076 -2.315 1.00 0.00 N ATOM 0 H GLN A 70 11.530 -9.390 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 70 9.514 -7.901 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.366 -10.176 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.547 -9.489 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.223 -9.976 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.394 -8.233 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.928 -10.824 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.655 -10.083 -3.227 1.00 0.00 H new ATOM 1166 N GLY A 71 9.128 -5.793 -1.112 1.00 0.00 N ATOM 1167 CA GLY A 71 8.901 -4.499 -0.478 1.00 0.00 C ATOM 1168 C GLY A 71 10.160 -3.634 -0.349 1.00 0.00 C ATOM 1169 O GLY A 71 10.069 -2.531 0.192 1.00 0.00 O ATOM 0 H GLY A 71 8.762 -5.847 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.154 -3.951 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.482 -4.662 0.515 1.00 0.00 H new ATOM 1173 N PHE A 72 11.331 -4.098 -0.803 1.00 0.00 N ATOM 1174 CA PHE A 72 12.588 -3.381 -0.598 1.00 0.00 C ATOM 1175 C PHE A 72 12.638 -2.139 -1.505 1.00 0.00 C ATOM 1176 O PHE A 72 12.267 -2.247 -2.676 1.00 0.00 O ATOM 1177 CB PHE A 72 13.769 -4.317 -0.883 1.00 0.00 C ATOM 1178 CG PHE A 72 15.124 -3.722 -0.553 1.00 0.00 C ATOM 1179 CD1 PHE A 72 15.624 -3.788 0.761 1.00 0.00 C ATOM 1180 CD2 PHE A 72 15.877 -3.083 -1.556 1.00 0.00 C ATOM 1181 CE1 PHE A 72 16.870 -3.211 1.070 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.122 -2.506 -1.246 1.00 0.00 C ATOM 1183 CZ PHE A 72 17.618 -2.568 0.068 1.00 0.00 C ATOM 0 H PHE A 72 11.430 -4.973 -1.318 1.00 0.00 H new ATOM 0 HA PHE A 72 12.653 -3.049 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.638 -5.235 -0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.753 -4.594 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.051 -4.282 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.498 -3.036 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.252 -3.262 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.697 -2.015 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 72 18.572 -2.122 0.307 1.00 0.00 H new ATOM 1193 N PRO A 73 13.112 -0.974 -1.029 1.00 0.00 N ATOM 1194 CA PRO A 73 13.340 0.206 -1.857 1.00 0.00 C ATOM 1195 C PRO A 73 14.610 0.022 -2.707 1.00 0.00 C ATOM 1196 O PRO A 73 15.683 0.544 -2.396 1.00 0.00 O ATOM 1197 CB PRO A 73 13.408 1.378 -0.875 1.00 0.00 C ATOM 1198 CG PRO A 73 14.004 0.743 0.382 1.00 0.00 C ATOM 1199 CD PRO A 73 13.431 -0.675 0.362 1.00 0.00 C ATOM 0 HA PRO A 73 12.549 0.386 -2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.034 2.186 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.422 1.802 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.094 0.738 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.712 1.283 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.152 -1.390 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.541 -0.742 0.987 1.00 0.00 H new ATOM 1207 N PHE A 74 14.492 -0.768 -3.778 1.00 0.00 N ATOM 1208 CA PHE A 74 15.569 -1.028 -4.741 1.00 0.00 C ATOM 1209 C PHE A 74 15.989 0.275 -5.433 1.00 0.00 C ATOM 1210 O PHE A 74 17.164 0.481 -5.735 1.00 0.00 O ATOM 1211 CB PHE A 74 15.043 -2.068 -5.736 1.00 0.00 C ATOM 1212 CG PHE A 74 15.979 -2.556 -6.826 1.00 0.00 C ATOM 1213 CD1 PHE A 74 17.116 -3.318 -6.498 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.626 -2.377 -8.179 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.877 -3.924 -7.516 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.383 -2.987 -9.194 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.495 -3.778 -8.861 1.00 0.00 C ATOM 0 H PHE A 74 13.626 -1.256 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 74 16.461 -1.414 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.714 -2.937 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.160 -1.650 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 74 17.405 -3.438 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.771 -1.769 -8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.754 -4.501 -7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.110 -2.848 -10.230 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.057 -4.274 -9.639 1.00 0.00 H new ATOM 1227 N TYR A 75 15.013 1.165 -5.614 1.00 0.00 N ATOM 1228 CA TYR A 75 15.123 2.549 -6.041 1.00 0.00 C ATOM 1229 C TYR A 75 14.023 3.298 -5.276 1.00 0.00 C ATOM 1230 O TYR A 75 13.514 2.788 -4.274 1.00 0.00 O ATOM 1231 CB TYR A 75 15.029 2.636 -7.580 1.00 0.00 C ATOM 1232 CG TYR A 75 16.377 2.505 -8.265 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.279 3.588 -8.219 1.00 0.00 C ATOM 1234 CD2 TYR A 75 16.740 1.323 -8.940 1.00 0.00 C ATOM 1235 CE1 TYR A 75 18.529 3.501 -8.854 1.00 0.00 C ATOM 1236 CE2 TYR A 75 17.989 1.229 -9.580 1.00 0.00 C ATOM 1237 CZ TYR A 75 18.889 2.321 -9.545 1.00 0.00 C ATOM 1238 OH TYR A 75 20.087 2.239 -10.190 1.00 0.00 O ATOM 0 H TYR A 75 14.040 0.906 -5.449 1.00 0.00 H new ATOM 0 HA TYR A 75 16.084 3.009 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.365 1.851 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 75 14.578 3.589 -7.858 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.007 4.491 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.057 0.487 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.214 4.335 -8.814 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.262 0.322 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 75 20.335 1.297 -10.301 1.00 0.00 H new ATOM 1248 N ASP A 76 13.636 4.494 -5.722 1.00 0.00 N ATOM 1249 CA ASP A 76 12.618 5.347 -5.097 1.00 0.00 C ATOM 1250 C ASP A 76 11.187 4.758 -5.141 1.00 0.00 C ATOM 1251 O ASP A 76 10.206 5.484 -4.978 1.00 0.00 O ATOM 1252 CB ASP A 76 12.687 6.744 -5.741 1.00 0.00 C ATOM 1253 CG ASP A 76 11.876 7.808 -4.976 1.00 0.00 C ATOM 1254 OD1 ASP A 76 12.053 7.949 -3.744 1.00 0.00 O ATOM 1255 OD2 ASP A 76 11.110 8.565 -5.616 1.00 0.00 O ATOM 0 H ASP A 76 14.037 4.913 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 76 12.845 5.413 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.729 7.061 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.319 6.683 -6.765 1.00 0.00 H new ATOM 1260 N LYS A 77 11.039 3.444 -5.367 1.00 0.00 N ATOM 1261 CA LYS A 77 9.779 2.718 -5.270 1.00 0.00 C ATOM 1262 C LYS A 77 10.060 1.383 -4.572 1.00 0.00 C ATOM 1263 O LYS A 77 11.082 0.761 -4.881 1.00 0.00 O ATOM 1264 CB LYS A 77 9.167 2.462 -6.660 1.00 0.00 C ATOM 1265 CG LYS A 77 8.640 3.737 -7.334 1.00 0.00 C ATOM 1266 CD LYS A 77 7.832 3.411 -8.597 1.00 0.00 C ATOM 1267 CE LYS A 77 7.291 4.713 -9.207 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.482 4.482 -10.429 1.00 0.00 N ATOM 0 H LYS A 77 11.822 2.845 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 77 9.062 3.312 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.919 2.004 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.351 1.746 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.014 4.289 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.477 4.386 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.461 2.891 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.008 2.741 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.682 5.231 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.126 5.370 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.851 5.294 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.114 4.371 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.913 3.619 -10.311 1.00 0.00 H new ATOM 1282 N PRO A 78 9.190 0.926 -3.655 1.00 0.00 N ATOM 1283 CA PRO A 78 9.314 -0.396 -3.064 1.00 0.00 C ATOM 1284 C PRO A 78 9.005 -1.442 -4.137 1.00 0.00 C ATOM 1285 O PRO A 78 7.987 -1.351 -4.830 1.00 0.00 O ATOM 1286 CB PRO A 78 8.309 -0.430 -1.910 1.00 0.00 C ATOM 1287 CG PRO A 78 7.230 0.565 -2.337 1.00 0.00 C ATOM 1288 CD PRO A 78 8.005 1.605 -3.147 1.00 0.00 C ATOM 0 HA PRO A 78 10.314 -0.612 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.898 -1.429 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.772 -0.138 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.456 0.085 -2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.735 1.014 -1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.398 1.992 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.281 2.456 -2.524 1.00 0.00 H new ATOM 1296 N MET A 79 9.872 -2.442 -4.263 1.00 0.00 N ATOM 1297 CA MET A 79 9.663 -3.570 -5.161 1.00 0.00 C ATOM 1298 C MET A 79 8.407 -4.325 -4.737 1.00 0.00 C ATOM 1299 O MET A 79 8.110 -4.424 -3.544 1.00 0.00 O ATOM 1300 CB MET A 79 10.869 -4.517 -5.090 1.00 0.00 C ATOM 1301 CG MET A 79 12.154 -3.862 -5.599 1.00 0.00 C ATOM 1302 SD MET A 79 12.239 -3.627 -7.396 1.00 0.00 S ATOM 1303 CE MET A 79 13.403 -4.956 -7.796 1.00 0.00 C ATOM 0 H MET A 79 10.746 -2.492 -3.740 1.00 0.00 H new ATOM 0 HA MET A 79 9.548 -3.204 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.013 -4.841 -4.059 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.662 -5.410 -5.679 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.265 -2.891 -5.116 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.002 -4.472 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.720 -4.862 -8.835 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.273 -4.886 -7.143 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.917 -5.921 -7.651 1.00 0.00 H new ATOM 1313 N GLN A 80 7.702 -4.913 -5.695 1.00 0.00 N ATOM 1314 CA GLN A 80 6.612 -5.844 -5.452 1.00 0.00 C ATOM 1315 C GLN A 80 6.993 -7.068 -6.271 1.00 0.00 C ATOM 1316 O GLN A 80 7.299 -6.939 -7.455 1.00 0.00 O ATOM 1317 CB GLN A 80 5.270 -5.223 -5.877 1.00 0.00 C ATOM 1318 CG GLN A 80 4.856 -4.005 -5.029 1.00 0.00 C ATOM 1319 CD GLN A 80 4.457 -4.379 -3.599 1.00 0.00 C ATOM 1320 OE1 GLN A 80 3.287 -4.617 -3.307 1.00 0.00 O ATOM 1321 NE2 GLN A 80 5.402 -4.440 -2.673 1.00 0.00 N ATOM 0 H GLN A 80 7.878 -4.750 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 80 6.475 -6.100 -4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.334 -4.922 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.491 -5.982 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.682 -3.295 -4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.020 -3.499 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.372 -4.242 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.160 -4.685 -1.713 1.00 0.00 H new ATOM 1330 N ILE A 81 7.045 -8.239 -5.646 1.00 0.00 N ATOM 1331 CA ILE A 81 7.614 -9.433 -6.256 1.00 0.00 C ATOM 1332 C ILE A 81 6.642 -10.598 -6.052 1.00 0.00 C ATOM 1333 O ILE A 81 5.906 -10.643 -5.063 1.00 0.00 O ATOM 1334 CB ILE A 81 9.031 -9.709 -5.671 1.00 0.00 C ATOM 1335 CG1 ILE A 81 9.881 -8.422 -5.500 1.00 0.00 C ATOM 1336 CG2 ILE A 81 9.789 -10.718 -6.553 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.349 -8.635 -5.113 1.00 0.00 C ATOM 0 H ILE A 81 6.693 -8.386 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 81 7.748 -9.296 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 81 8.876 -10.126 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.849 -7.862 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.412 -7.798 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.777 -10.900 -6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.234 -11.655 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.894 -10.314 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.845 -7.669 -5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.401 -9.162 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.846 -9.226 -5.882 1.00 0.00 H new ATOM 1349 N ALA A 82 6.662 -11.551 -6.981 1.00 0.00 N ATOM 1350 CA ALA A 82 5.989 -12.838 -6.900 1.00 0.00 C ATOM 1351 C ALA A 82 6.890 -13.884 -7.564 1.00 0.00 C ATOM 1352 O ALA A 82 7.871 -13.537 -8.226 1.00 0.00 O ATOM 1353 CB ALA A 82 4.624 -12.752 -7.597 1.00 0.00 C ATOM 0 H ALA A 82 7.176 -11.437 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 82 5.811 -13.122 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.122 -13.718 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.013 -11.993 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.766 -12.484 -8.644 1.00 0.00 H new ATOM 1359 N TYR A 83 6.576 -15.167 -7.392 1.00 0.00 N ATOM 1360 CA TYR A 83 7.257 -16.230 -8.124 1.00 0.00 C ATOM 1361 C TYR A 83 6.676 -16.277 -9.539 1.00 0.00 C ATOM 1362 O TYR A 83 5.482 -16.013 -9.720 1.00 0.00 O ATOM 1363 CB TYR A 83 7.139 -17.564 -7.368 1.00 0.00 C ATOM 1364 CG TYR A 83 5.749 -18.162 -7.191 1.00 0.00 C ATOM 1365 CD1 TYR A 83 4.871 -17.662 -6.207 1.00 0.00 C ATOM 1366 CD2 TYR A 83 5.358 -19.275 -7.963 1.00 0.00 C ATOM 1367 CE1 TYR A 83 3.611 -18.256 -6.004 1.00 0.00 C ATOM 1368 CE2 TYR A 83 4.107 -19.884 -7.755 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.224 -19.378 -6.774 1.00 0.00 C ATOM 1370 OH TYR A 83 2.007 -19.960 -6.601 1.00 0.00 O ATOM 0 H TYR A 83 5.853 -15.494 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 83 8.326 -16.033 -8.203 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.755 -18.298 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.573 -17.427 -6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.168 -16.816 -5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.024 -19.663 -8.720 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.939 -17.855 -5.260 1.00 0.00 H new ATOM 0 HE2 TYR A 83 3.820 -20.741 -8.347 1.00 0.00 H new ATOM 0 HH TYR A 83 1.916 -20.716 -7.217 1.00 0.00 H new