USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= -0.306 K(o=-1.5,f=-6.5!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.2 K(o=-1.5,f=-0.65) USER MOD Single : A 4 ASN : amide:sc= -4.12! C(o=-4.1!,f=-3.5!) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0223 (180deg=-0.216) USER MOD Single : A 7 CYS SG : rot -24:sc= 0.769 USER MOD Single : A 10 THR OG1 : rot -43:sc= 0.388 USER MOD Single : A 13 GLN : amide:sc= -3.48! C(o=-3.5!,f=-1.1!) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.046 (180deg=-0.277) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 12:sc= 0.806 USER MOD Single : A 34 SER OG : rot 15:sc= -0.628 USER MOD Single : A 37 CYS SG : rot -4:sc= -0.634 USER MOD Single : A 44 GLN : amide:sc= -3.48! K(o=-3.5!,f=-0.61) USER MOD Single : A 47 MET CE :methyl -156:sc= 0 (180deg=-0.188) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 54 TYR OH : rot -30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.5) USER MOD Single : A 61 HIS : no HE2:sc= 1.2 K(o=1.2,f=-6.4!) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 2.32 (180deg=0.581) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0716) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -8.93! C(o=-8.9!,f=-6.7!) USER MOD Single : A 81 HIS : no HE2:sc= -0.928 X(o=-0.93,f=-0.64) USER MOD Single : A 83 ASN : amide:sc= -0.0102 K(o=-0.01,f=-0.51) USER MOD Single : A 86 GLN : amide:sc= 0.815 K(o=0.81,f=0) USER MOD Single : A 88 TYR OH : rot 68:sc= 0.263 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.806 USER MOD Single : A 99 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.46) USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= 0.991 (180deg=0.894) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.0745 X(o=-0.075,f=-0.02) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.449 9.082 -7.295 1.00 0.00 N ATOM 43 CA ASN A 4 -9.596 9.398 -6.471 1.00 0.00 C ATOM 44 C ASN A 4 -9.423 8.512 -5.275 1.00 0.00 C ATOM 45 O ASN A 4 -10.279 7.731 -4.906 1.00 0.00 O ATOM 46 CB ASN A 4 -10.957 9.136 -7.183 1.00 0.00 C ATOM 47 CG ASN A 4 -12.125 9.852 -6.483 1.00 0.00 C ATOM 48 OD1 ASN A 4 -12.126 10.054 -5.271 1.00 0.00 O ATOM 49 ND2 ASN A 4 -13.112 10.259 -7.242 1.00 0.00 N ATOM 0 HA ASN A 4 -9.633 10.459 -6.223 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.895 9.472 -8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.152 8.064 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.902 10.754 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.090 10.080 -8.246 1.00 0.00 H new ATOM 56 N LYS A 5 -8.206 8.590 -4.764 1.00 0.00 N ATOM 57 CA LYS A 5 -7.728 7.809 -3.637 1.00 0.00 C ATOM 58 C LYS A 5 -8.705 7.822 -2.456 1.00 0.00 C ATOM 59 O LYS A 5 -9.201 8.871 -2.055 1.00 0.00 O ATOM 60 CB LYS A 5 -6.326 8.290 -3.211 1.00 0.00 C ATOM 61 CG LYS A 5 -6.248 9.757 -2.800 1.00 0.00 C ATOM 62 CD LYS A 5 -4.829 10.147 -2.425 1.00 0.00 C ATOM 63 CE LYS A 5 -4.748 11.588 -1.930 1.00 0.00 C ATOM 64 NZ LYS A 5 -5.533 11.809 -0.688 1.00 0.00 N ATOM 0 H LYS A 5 -7.498 9.223 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.658 6.772 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.985 7.676 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.634 8.122 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.596 10.386 -3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.913 9.937 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.461 9.475 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.178 10.023 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.705 11.848 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.112 12.257 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.275 12.727 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.548 11.804 -0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.326 11.051 -0.007 1.00 0.00 H new ATOM 78 N VAL A 6 -8.998 6.642 -1.952 1.00 0.00 N ATOM 79 CA VAL A 6 -9.915 6.468 -0.858 1.00 0.00 C ATOM 80 C VAL A 6 -9.158 6.267 0.436 1.00 0.00 C ATOM 81 O VAL A 6 -8.525 5.255 0.609 1.00 0.00 O ATOM 82 CB VAL A 6 -10.792 5.211 -1.066 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.876 5.096 -0.002 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.382 5.156 -2.451 1.00 0.00 C ATOM 0 H VAL A 6 -8.599 5.770 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.535 7.363 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.133 4.350 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.470 4.200 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.414 5.031 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.521 5.974 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.990 4.257 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.004 6.035 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.579 5.136 -3.188 1.00 0.00 H new ATOM 94 N CYS A 7 -9.193 7.232 1.294 1.00 0.00 N ATOM 95 CA CYS A 7 -8.677 7.082 2.646 1.00 0.00 C ATOM 96 C CYS A 7 -9.865 6.680 3.510 1.00 0.00 C ATOM 97 O CYS A 7 -10.981 6.774 3.006 1.00 0.00 O ATOM 98 CB CYS A 7 -8.031 8.371 3.118 1.00 0.00 C ATOM 99 SG CYS A 7 -6.629 8.872 2.090 1.00 0.00 S ATOM 0 H CYS A 7 -9.578 8.155 1.093 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.896 6.323 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.777 9.166 3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.695 8.247 4.147 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.140 7.830 1.485 1.00 0.00 H new ATOM 105 N GLY A 8 -9.624 6.243 4.787 1.00 0.00 N ATOM 106 CA GLY A 8 -10.656 5.651 5.677 1.00 0.00 C ATOM 107 C GLY A 8 -12.077 6.024 5.368 1.00 0.00 C ATOM 108 O GLY A 8 -12.506 7.158 5.598 1.00 0.00 O ATOM 0 H GLY A 8 -8.702 6.296 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.567 4.566 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.437 5.947 6.703 1.00 0.00 H new ATOM 112 N LEU A 9 -12.781 5.077 4.824 1.00 0.00 N ATOM 113 CA LEU A 9 -14.118 5.261 4.396 1.00 0.00 C ATOM 114 C LEU A 9 -14.776 3.905 4.435 1.00 0.00 C ATOM 115 O LEU A 9 -14.134 2.912 4.112 1.00 0.00 O ATOM 116 CB LEU A 9 -14.094 5.788 2.967 1.00 0.00 C ATOM 117 CG LEU A 9 -15.404 6.250 2.367 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.945 7.442 3.137 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.187 6.604 0.916 1.00 0.00 C ATOM 0 H LEU A 9 -12.424 4.135 4.666 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.659 5.967 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.394 6.623 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.690 5.004 2.327 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.138 5.447 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.888 7.764 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.110 7.159 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.226 8.260 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.128 6.938 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.449 7.403 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.827 5.727 0.378 1.00 0.00 H new ATOM 131 N THR A 10 -16.007 3.845 4.835 1.00 0.00 N ATOM 132 CA THR A 10 -16.683 2.566 4.939 1.00 0.00 C ATOM 133 C THR A 10 -18.080 2.691 4.363 1.00 0.00 C ATOM 134 O THR A 10 -18.900 1.768 4.435 1.00 0.00 O ATOM 135 CB THR A 10 -16.707 2.043 6.425 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.258 0.706 6.502 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.503 2.978 7.337 1.00 0.00 C ATOM 0 H THR A 10 -16.571 4.654 5.096 1.00 0.00 H new ATOM 0 HA THR A 10 -16.131 1.824 4.362 1.00 0.00 H new ATOM 0 HB THR A 10 -15.673 2.020 6.768 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.052 0.646 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.498 2.586 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.049 3.969 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.530 3.047 6.980 1.00 0.00 H new ATOM 145 N ARG A 11 -18.324 3.823 3.746 1.00 0.00 N ATOM 146 CA ARG A 11 -19.591 4.103 3.139 1.00 0.00 C ATOM 147 C ARG A 11 -19.499 3.671 1.695 1.00 0.00 C ATOM 148 O ARG A 11 -18.755 4.269 0.927 1.00 0.00 O ATOM 149 CB ARG A 11 -19.863 5.592 3.140 1.00 0.00 C ATOM 150 CG ARG A 11 -19.837 6.303 4.468 1.00 0.00 C ATOM 151 CD ARG A 11 -19.951 7.794 4.210 1.00 0.00 C ATOM 152 NE ARG A 11 -19.935 8.604 5.413 1.00 0.00 N ATOM 153 CZ ARG A 11 -19.673 9.917 5.428 1.00 0.00 C ATOM 154 NH1 ARG A 11 -19.195 10.525 4.327 1.00 0.00 N ATOM 155 NH2 ARG A 11 -19.864 10.614 6.538 1.00 0.00 N ATOM 0 H ARG A 11 -17.642 4.575 3.654 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.379 3.586 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.130 6.068 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.842 5.755 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.659 5.962 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.913 6.079 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.129 8.104 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.875 7.988 3.666 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.136 8.145 6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.031 9.986 3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.997 11.525 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.210 10.150 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.665 11.614 6.553 1.00 0.00 H new ATOM 169 N GLY A 12 -20.230 2.661 1.334 1.00 0.00 N ATOM 170 CA GLY A 12 -20.233 2.154 -0.030 1.00 0.00 C ATOM 171 C GLY A 12 -20.617 3.206 -1.057 1.00 0.00 C ATOM 172 O GLY A 12 -20.031 3.279 -2.126 1.00 0.00 O ATOM 0 H GLY A 12 -20.847 2.155 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.243 1.766 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.928 1.317 -0.099 1.00 0.00 H new ATOM 176 N GLN A 13 -21.555 4.061 -0.679 1.00 0.00 N ATOM 177 CA GLN A 13 -22.099 5.114 -1.534 1.00 0.00 C ATOM 178 C GLN A 13 -21.035 6.160 -1.781 1.00 0.00 C ATOM 179 O GLN A 13 -21.022 6.842 -2.803 1.00 0.00 O ATOM 180 CB GLN A 13 -23.300 5.833 -0.860 1.00 0.00 C ATOM 181 CG GLN A 13 -24.391 4.955 -0.232 1.00 0.00 C ATOM 182 CD GLN A 13 -23.984 4.344 1.109 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.174 4.937 2.163 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.453 3.161 1.083 1.00 0.00 N ATOM 0 H GLN A 13 -21.971 4.045 0.252 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.427 4.644 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.907 6.488 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.771 6.472 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.292 5.553 -0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.645 4.153 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.305 2.688 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.183 2.704 1.954 1.00 0.00 H new ATOM 193 N ASP A 14 -20.143 6.248 -0.839 1.00 0.00 N ATOM 194 CA ASP A 14 -19.106 7.245 -0.828 1.00 0.00 C ATOM 195 C ASP A 14 -17.894 6.676 -1.557 1.00 0.00 C ATOM 196 O ASP A 14 -17.225 7.355 -2.325 1.00 0.00 O ATOM 197 CB ASP A 14 -18.757 7.539 0.634 1.00 0.00 C ATOM 198 CG ASP A 14 -18.125 8.901 0.859 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.244 9.308 0.101 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.515 9.593 1.837 1.00 0.00 O ATOM 0 H ASP A 14 -20.113 5.617 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.423 8.164 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.664 7.468 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.075 6.770 0.995 1.00 0.00 H new ATOM 205 N ALA A 15 -17.655 5.399 -1.326 1.00 0.00 N ATOM 206 CA ALA A 15 -16.553 4.662 -1.923 1.00 0.00 C ATOM 207 C ALA A 15 -16.724 4.532 -3.431 1.00 0.00 C ATOM 208 O ALA A 15 -15.769 4.722 -4.195 1.00 0.00 O ATOM 209 CB ALA A 15 -16.444 3.290 -1.277 1.00 0.00 C ATOM 0 H ALA A 15 -18.232 4.832 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.632 5.217 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.617 2.741 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.265 3.404 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.372 2.740 -1.432 1.00 0.00 H new ATOM 215 N LYS A 16 -17.946 4.243 -3.870 1.00 0.00 N ATOM 216 CA LYS A 16 -18.227 4.084 -5.295 1.00 0.00 C ATOM 217 C LYS A 16 -17.969 5.354 -6.072 1.00 0.00 C ATOM 218 O LYS A 16 -17.698 5.293 -7.245 1.00 0.00 O ATOM 219 CB LYS A 16 -19.635 3.547 -5.565 1.00 0.00 C ATOM 220 CG LYS A 16 -20.757 4.367 -4.951 1.00 0.00 C ATOM 221 CD LYS A 16 -22.128 3.728 -5.153 1.00 0.00 C ATOM 222 CE LYS A 16 -22.567 3.734 -6.609 1.00 0.00 C ATOM 223 NZ LYS A 16 -22.697 5.115 -7.142 1.00 0.00 N ATOM 0 H LYS A 16 -18.755 4.114 -3.263 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.526 3.330 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.789 3.496 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.699 2.527 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.571 4.489 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.756 5.364 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.103 2.701 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.865 4.261 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.845 3.180 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.522 3.217 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.232 5.094 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.199 5.708 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.751 5.511 -7.315 1.00 0.00 H new ATOM 237 N ALA A 17 -18.018 6.497 -5.404 1.00 0.00 N ATOM 238 CA ALA A 17 -17.739 7.769 -6.052 1.00 0.00 C ATOM 239 C ALA A 17 -16.272 7.827 -6.501 1.00 0.00 C ATOM 240 O ALA A 17 -15.940 8.453 -7.498 1.00 0.00 O ATOM 241 CB ALA A 17 -18.067 8.932 -5.124 1.00 0.00 C ATOM 0 H ALA A 17 -18.249 6.569 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 17 -18.374 7.854 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.851 9.873 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.123 8.898 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.462 8.858 -4.220 1.00 0.00 H new ATOM 247 N ALA A 18 -15.414 7.127 -5.785 1.00 0.00 N ATOM 248 CA ALA A 18 -14.006 7.079 -6.105 1.00 0.00 C ATOM 249 C ALA A 18 -13.757 6.112 -7.255 1.00 0.00 C ATOM 250 O ALA A 18 -12.970 6.374 -8.161 1.00 0.00 O ATOM 251 CB ALA A 18 -13.236 6.657 -4.892 1.00 0.00 C ATOM 0 H ALA A 18 -15.676 6.577 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.673 8.070 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.173 6.620 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.403 7.374 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.571 5.670 -4.574 1.00 0.00 H new ATOM 257 N TYR A 19 -14.443 4.997 -7.212 1.00 0.00 N ATOM 258 CA TYR A 19 -14.369 3.996 -8.256 1.00 0.00 C ATOM 259 C TYR A 19 -15.005 4.504 -9.531 1.00 0.00 C ATOM 260 O TYR A 19 -14.553 4.188 -10.624 1.00 0.00 O ATOM 261 CB TYR A 19 -14.985 2.677 -7.760 1.00 0.00 C ATOM 262 CG TYR A 19 -15.772 1.880 -8.767 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.138 1.019 -9.641 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.153 1.996 -8.840 1.00 0.00 C ATOM 265 CE1 TYR A 19 -15.851 0.287 -10.567 1.00 0.00 C ATOM 266 CE2 TYR A 19 -17.878 1.269 -9.762 1.00 0.00 C ATOM 267 CZ TYR A 19 -17.222 0.416 -10.625 1.00 0.00 C ATOM 268 OH TYR A 19 -17.938 -0.312 -11.540 1.00 0.00 O ATOM 0 H TYR A 19 -15.074 4.753 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.325 3.793 -8.496 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.181 2.047 -7.380 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.639 2.902 -6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.064 0.917 -9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.668 2.665 -8.166 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.339 -0.383 -11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.953 1.367 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.892 -0.105 -11.448 1.00 0.00 H new ATOM 278 N ASP A 20 -16.006 5.334 -9.376 1.00 0.00 N ATOM 279 CA ASP A 20 -16.716 5.962 -10.516 1.00 0.00 C ATOM 280 C ASP A 20 -15.759 6.841 -11.344 1.00 0.00 C ATOM 281 O ASP A 20 -16.037 7.191 -12.486 1.00 0.00 O ATOM 282 CB ASP A 20 -17.888 6.802 -10.007 1.00 0.00 C ATOM 283 CG ASP A 20 -18.828 7.244 -11.107 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.591 6.397 -11.616 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.873 8.444 -11.433 1.00 0.00 O ATOM 0 H ASP A 20 -16.369 5.608 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.096 5.168 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.447 6.225 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.500 7.682 -9.494 1.00 0.00 H new ATOM 290 N ALA A 21 -14.613 7.163 -10.754 1.00 0.00 N ATOM 291 CA ALA A 21 -13.580 7.943 -11.413 1.00 0.00 C ATOM 292 C ALA A 21 -12.765 7.088 -12.396 1.00 0.00 C ATOM 293 O ALA A 21 -11.872 7.601 -13.092 1.00 0.00 O ATOM 294 CB ALA A 21 -12.664 8.564 -10.389 1.00 0.00 C ATOM 0 H ALA A 21 -14.377 6.887 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.073 8.731 -11.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.894 9.146 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.240 9.217 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.195 7.778 -9.797 1.00 0.00 H new ATOM 300 N GLY A 22 -13.017 5.783 -12.413 1.00 0.00 N ATOM 301 CA GLY A 22 -12.369 4.947 -13.399 1.00 0.00 C ATOM 302 C GLY A 22 -11.758 3.704 -12.815 1.00 0.00 C ATOM 303 O GLY A 22 -10.941 3.057 -13.472 1.00 0.00 O ATOM 0 H GLY A 22 -13.647 5.299 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.097 4.663 -14.159 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.592 5.524 -13.901 1.00 0.00 H new ATOM 307 N ALA A 23 -12.151 3.379 -11.568 1.00 0.00 N ATOM 308 CA ALA A 23 -11.669 2.188 -10.826 1.00 0.00 C ATOM 309 C ALA A 23 -10.157 2.221 -10.677 1.00 0.00 C ATOM 310 O ALA A 23 -9.519 1.181 -10.503 1.00 0.00 O ATOM 311 CB ALA A 23 -12.110 0.909 -11.535 1.00 0.00 C ATOM 0 H ALA A 23 -12.819 3.939 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.108 2.203 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.750 0.043 -10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.198 0.879 -11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.697 0.891 -12.544 1.00 0.00 H new ATOM 317 N ILE A 24 -9.625 3.436 -10.649 1.00 0.00 N ATOM 318 CA ILE A 24 -8.189 3.674 -10.709 1.00 0.00 C ATOM 319 C ILE A 24 -7.449 2.998 -9.578 1.00 0.00 C ATOM 320 O ILE A 24 -6.749 2.019 -9.795 1.00 0.00 O ATOM 321 CB ILE A 24 -7.882 5.178 -10.628 1.00 0.00 C ATOM 322 CG1 ILE A 24 -8.792 5.966 -11.568 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.421 5.409 -10.994 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.654 7.453 -11.412 1.00 0.00 C ATOM 0 H ILE A 24 -10.181 4.289 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.855 3.259 -11.660 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.065 5.526 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.565 5.692 -12.598 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.828 5.682 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.196 6.474 -10.939 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.781 4.866 -10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.239 5.052 -12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.326 7.956 -12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.909 7.737 -10.391 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.626 7.747 -11.624 1.00 0.00 H new ATOM 336 N TYR A 25 -7.657 3.502 -8.385 1.00 0.00 N ATOM 337 CA TYR A 25 -7.026 2.999 -7.193 1.00 0.00 C ATOM 338 C TYR A 25 -7.535 3.779 -5.991 1.00 0.00 C ATOM 339 O TYR A 25 -8.111 4.865 -6.145 1.00 0.00 O ATOM 340 CB TYR A 25 -5.459 2.998 -7.301 1.00 0.00 C ATOM 341 CG TYR A 25 -4.785 4.229 -6.852 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.543 4.396 -5.531 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.419 5.218 -7.723 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.971 5.488 -5.051 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.829 6.357 -7.262 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.599 6.499 -5.910 1.00 0.00 C ATOM 347 OH TYR A 25 -3.026 7.659 -5.424 1.00 0.00 O ATOM 0 H TYR A 25 -8.283 4.289 -8.215 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.299 1.952 -7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.074 2.162 -6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.185 2.815 -8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.826 3.611 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.598 5.096 -8.781 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.796 5.587 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.545 7.140 -7.949 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.826 8.262 -6.170 1.00 0.00 H new ATOM 357 N GLY A 26 -7.322 3.233 -4.830 1.00 0.00 N ATOM 358 CA GLY A 26 -7.686 3.844 -3.606 1.00 0.00 C ATOM 359 C GLY A 26 -6.486 3.861 -2.705 1.00 0.00 C ATOM 360 O GLY A 26 -5.842 2.825 -2.520 1.00 0.00 O ATOM 0 H GLY A 26 -6.876 2.323 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.042 4.859 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.503 3.296 -3.138 1.00 0.00 H new ATOM 364 N GLY A 27 -6.147 5.018 -2.198 1.00 0.00 N ATOM 365 CA GLY A 27 -4.996 5.148 -1.348 1.00 0.00 C ATOM 366 C GLY A 27 -5.387 5.107 0.091 1.00 0.00 C ATOM 367 O GLY A 27 -5.615 6.154 0.715 1.00 0.00 O ATOM 0 H GLY A 27 -6.656 5.887 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.290 4.345 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.485 6.086 -1.563 1.00 0.00 H new ATOM 371 N LEU A 28 -5.498 3.922 0.610 1.00 0.00 N ATOM 372 CA LEU A 28 -5.862 3.730 1.964 1.00 0.00 C ATOM 373 C LEU A 28 -4.777 3.025 2.674 1.00 0.00 C ATOM 374 O LEU A 28 -4.048 2.231 2.088 1.00 0.00 O ATOM 375 CB LEU A 28 -7.269 3.050 2.185 1.00 0.00 C ATOM 376 CG LEU A 28 -7.620 1.671 1.524 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.567 1.716 0.010 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.781 0.527 2.076 1.00 0.00 C ATOM 0 H LEU A 28 -5.335 3.058 0.093 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.992 4.723 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.398 2.929 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.023 3.763 1.852 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.655 1.470 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.819 0.735 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.281 2.453 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.563 1.993 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.065 -0.403 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.726 0.728 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.950 0.436 3.149 1.00 0.00 H new ATOM 390 N ILE A 29 -4.629 3.339 3.897 1.00 0.00 N ATOM 391 CA ILE A 29 -3.624 2.717 4.668 1.00 0.00 C ATOM 392 C ILE A 29 -4.122 1.926 5.786 1.00 0.00 C ATOM 393 O ILE A 29 -5.150 2.243 6.380 1.00 0.00 O ATOM 394 CB ILE A 29 -2.420 3.580 5.052 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.768 4.998 5.595 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.512 3.625 3.894 1.00 0.00 C ATOM 397 CD1 ILE A 29 -3.305 6.001 4.571 1.00 0.00 C ATOM 0 H ILE A 29 -5.193 4.028 4.394 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.215 2.010 3.946 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.932 3.112 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.508 4.889 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.872 5.420 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.642 4.235 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.189 2.614 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.032 4.060 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.511 6.950 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.563 6.153 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.224 5.614 4.130 1.00 0.00 H new ATOM 409 N PHE A 30 -3.375 0.905 6.083 1.00 0.00 N ATOM 410 CA PHE A 30 -3.772 -0.070 7.084 1.00 0.00 C ATOM 411 C PHE A 30 -3.613 0.489 8.498 1.00 0.00 C ATOM 412 O PHE A 30 -2.532 0.400 9.103 1.00 0.00 O ATOM 413 CB PHE A 30 -2.971 -1.385 6.966 1.00 0.00 C ATOM 414 CG PHE A 30 -2.932 -2.019 5.592 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.965 -2.844 5.124 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.840 -1.810 4.776 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.878 -3.434 3.857 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.760 -2.387 3.541 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.772 -3.197 3.078 1.00 0.00 C ATOM 0 H PHE A 30 -2.473 0.715 5.646 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.824 -0.287 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.946 -1.193 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.392 -2.107 7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.831 -3.025 5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.034 -1.179 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.673 -4.069 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.894 -2.206 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.696 -3.647 2.099 1.00 0.00 H new ATOM 429 N VAL A 31 -4.634 1.147 8.975 1.00 0.00 N ATOM 430 CA VAL A 31 -4.666 1.588 10.343 1.00 0.00 C ATOM 431 C VAL A 31 -5.823 0.900 11.017 1.00 0.00 C ATOM 432 O VAL A 31 -6.976 1.048 10.591 1.00 0.00 O ATOM 433 CB VAL A 31 -4.784 3.121 10.500 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.767 3.500 11.972 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.665 3.839 9.758 1.00 0.00 C ATOM 0 H VAL A 31 -5.462 1.391 8.431 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.716 1.325 10.808 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.732 3.433 10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.851 4.582 12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.606 3.024 12.480 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.833 3.166 12.423 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.775 4.916 9.887 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.702 3.522 10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.716 3.594 8.697 1.00 0.00 H new ATOM 445 N ALA A 32 -5.501 0.158 12.052 1.00 0.00 N ATOM 446 CA ALA A 32 -6.420 -0.710 12.755 1.00 0.00 C ATOM 447 C ALA A 32 -7.690 -0.010 13.213 1.00 0.00 C ATOM 448 O ALA A 32 -7.674 0.822 14.124 1.00 0.00 O ATOM 449 CB ALA A 32 -5.722 -1.380 13.928 1.00 0.00 C ATOM 0 H ALA A 32 -4.559 0.141 12.442 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.737 -1.467 12.038 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.426 -2.030 14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.883 -1.972 13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.356 -0.619 14.616 1.00 0.00 H new ATOM 455 N THR A 33 -8.765 -0.325 12.513 1.00 0.00 N ATOM 456 CA THR A 33 -10.145 0.053 12.820 1.00 0.00 C ATOM 457 C THR A 33 -10.407 1.556 12.773 1.00 0.00 C ATOM 458 O THR A 33 -11.425 2.036 13.287 1.00 0.00 O ATOM 459 CB THR A 33 -10.650 -0.577 14.164 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.813 -0.202 15.277 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.666 -2.087 14.052 1.00 0.00 C ATOM 0 H THR A 33 -8.701 -0.885 11.663 1.00 0.00 H new ATOM 0 HA THR A 33 -10.736 -0.374 12.009 1.00 0.00 H new ATOM 0 HB THR A 33 -11.656 -0.199 14.344 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.207 0.517 15.003 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.018 -2.518 14.989 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.333 -2.385 13.243 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.659 -2.447 13.843 1.00 0.00 H new ATOM 469 N SER A 34 -9.553 2.294 12.108 1.00 0.00 N ATOM 470 CA SER A 34 -9.737 3.706 12.052 1.00 0.00 C ATOM 471 C SER A 34 -10.652 4.059 10.891 1.00 0.00 C ATOM 472 O SER A 34 -10.650 3.377 9.877 1.00 0.00 O ATOM 473 CB SER A 34 -8.395 4.411 11.888 1.00 0.00 C ATOM 474 OG SER A 34 -7.778 4.084 10.658 1.00 0.00 O ATOM 0 H SER A 34 -8.738 1.939 11.608 1.00 0.00 H new ATOM 0 HA SER A 34 -10.193 4.038 12.985 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.541 5.490 11.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.736 4.134 12.711 1.00 0.00 H new ATOM 0 HG SER A 34 -8.433 3.659 10.066 1.00 0.00 H new ATOM 480 N PRO A 35 -11.465 5.099 11.025 1.00 0.00 N ATOM 481 CA PRO A 35 -12.249 5.611 9.917 1.00 0.00 C ATOM 482 C PRO A 35 -11.468 6.703 9.187 1.00 0.00 C ATOM 483 O PRO A 35 -12.000 7.445 8.391 1.00 0.00 O ATOM 484 CB PRO A 35 -13.473 6.185 10.607 1.00 0.00 C ATOM 485 CG PRO A 35 -12.975 6.659 11.943 1.00 0.00 C ATOM 486 CD PRO A 35 -11.764 5.816 12.285 1.00 0.00 C ATOM 0 HA PRO A 35 -12.497 4.861 9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.903 7.005 10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.253 5.432 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.711 7.716 11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.748 6.551 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.924 6.433 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.976 5.123 13.099 1.00 0.00 H new ATOM 494 N ARG A 36 -10.200 6.766 9.498 1.00 0.00 N ATOM 495 CA ARG A 36 -9.279 7.719 8.932 1.00 0.00 C ATOM 496 C ARG A 36 -8.471 7.040 7.832 1.00 0.00 C ATOM 497 O ARG A 36 -8.023 7.665 6.870 1.00 0.00 O ATOM 498 CB ARG A 36 -8.349 8.190 10.048 1.00 0.00 C ATOM 499 CG ARG A 36 -7.331 9.234 9.655 1.00 0.00 C ATOM 500 CD ARG A 36 -6.474 9.590 10.848 1.00 0.00 C ATOM 501 NE ARG A 36 -5.439 10.559 10.520 1.00 0.00 N ATOM 502 CZ ARG A 36 -4.394 10.846 11.305 1.00 0.00 C ATOM 503 NH1 ARG A 36 -4.299 10.316 12.526 1.00 0.00 N ATOM 504 NH2 ARG A 36 -3.468 11.698 10.886 1.00 0.00 N ATOM 0 H ARG A 36 -9.765 6.137 10.173 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.811 8.569 8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.958 8.590 10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.819 7.324 10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.705 8.858 8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.836 10.124 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.107 9.993 11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.009 8.686 11.241 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.515 11.053 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.026 9.687 12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.499 10.540 13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.553 12.133 9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.671 11.918 11.482 1.00 0.00 H new ATOM 518 N CYS A 37 -8.345 5.744 7.954 1.00 0.00 N ATOM 519 CA CYS A 37 -7.551 4.920 7.077 1.00 0.00 C ATOM 520 C CYS A 37 -8.133 3.522 7.169 1.00 0.00 C ATOM 521 O CYS A 37 -8.524 3.106 8.237 1.00 0.00 O ATOM 522 CB CYS A 37 -6.091 4.930 7.527 1.00 0.00 C ATOM 523 SG CYS A 37 -5.304 6.567 7.562 1.00 0.00 S ATOM 0 H CYS A 37 -8.808 5.214 8.692 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.574 5.286 6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.032 4.495 8.525 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.518 4.283 6.862 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.134 7.457 7.105 1.00 0.00 H new ATOM 529 N VAL A 38 -8.196 2.805 6.095 1.00 0.00 N ATOM 530 CA VAL A 38 -8.900 1.564 6.118 1.00 0.00 C ATOM 531 C VAL A 38 -7.968 0.377 6.109 1.00 0.00 C ATOM 532 O VAL A 38 -6.984 0.334 5.386 1.00 0.00 O ATOM 533 CB VAL A 38 -9.991 1.530 4.983 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.097 0.189 4.302 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.341 1.879 5.571 1.00 0.00 C ATOM 0 H VAL A 38 -7.774 3.053 5.200 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.433 1.485 7.065 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.683 2.258 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.866 0.232 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.140 -0.064 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.362 -0.572 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.097 1.856 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.599 1.156 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.301 2.877 6.007 1.00 0.00 H new ATOM 545 N ASN A 39 -8.312 -0.572 6.917 1.00 0.00 N ATOM 546 CA ASN A 39 -7.567 -1.791 7.059 1.00 0.00 C ATOM 547 C ASN A 39 -8.251 -2.856 6.303 1.00 0.00 C ATOM 548 O ASN A 39 -9.409 -2.660 5.890 1.00 0.00 O ATOM 549 CB ASN A 39 -7.345 -2.154 8.532 1.00 0.00 C ATOM 550 CG ASN A 39 -8.583 -2.050 9.358 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.905 -1.005 9.854 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.234 -3.113 9.576 1.00 0.00 N ATOM 0 H ASN A 39 -9.138 -0.525 7.513 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.568 -1.660 6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.959 -3.172 8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.582 -1.498 8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.052 -3.094 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.941 -3.989 9.143 1.00 0.00 H new ATOM 559 N VAL A 40 -7.578 -3.988 6.136 1.00 0.00 N ATOM 560 CA VAL A 40 -8.041 -5.062 5.268 1.00 0.00 C ATOM 561 C VAL A 40 -9.473 -5.477 5.595 1.00 0.00 C ATOM 562 O VAL A 40 -10.262 -5.762 4.695 1.00 0.00 O ATOM 563 CB VAL A 40 -7.082 -6.306 5.304 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.231 -7.176 6.546 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.193 -7.128 4.054 1.00 0.00 C ATOM 0 H VAL A 40 -6.692 -4.187 6.601 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.029 -4.665 4.253 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.078 -5.886 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.533 -8.012 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.016 -6.582 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.250 -7.558 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.515 -7.979 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.216 -7.487 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.929 -6.516 3.192 1.00 0.00 H new ATOM 575 N GLU A 41 -9.815 -5.398 6.870 1.00 0.00 N ATOM 576 CA GLU A 41 -11.064 -5.831 7.363 1.00 0.00 C ATOM 577 C GLU A 41 -12.221 -4.939 6.906 1.00 0.00 C ATOM 578 O GLU A 41 -13.284 -5.445 6.573 1.00 0.00 O ATOM 579 CB GLU A 41 -10.999 -5.933 8.853 1.00 0.00 C ATOM 580 CG GLU A 41 -9.944 -6.900 9.368 1.00 0.00 C ATOM 581 CD GLU A 41 -8.677 -6.186 9.800 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.094 -5.438 8.986 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.296 -6.285 10.972 1.00 0.00 O ATOM 0 H GLU A 41 -9.200 -5.018 7.590 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.271 -6.816 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.800 -4.944 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.974 -6.244 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.348 -7.462 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.704 -7.623 8.588 1.00 0.00 H new ATOM 590 N GLN A 42 -12.050 -3.619 6.914 1.00 0.00 N ATOM 591 CA GLN A 42 -13.080 -2.776 6.336 1.00 0.00 C ATOM 592 C GLN A 42 -13.026 -2.864 4.828 1.00 0.00 C ATOM 593 O GLN A 42 -14.043 -3.009 4.166 1.00 0.00 O ATOM 594 CB GLN A 42 -12.860 -1.356 6.749 1.00 0.00 C ATOM 595 CG GLN A 42 -13.103 -1.105 8.198 1.00 0.00 C ATOM 596 CD GLN A 42 -12.432 0.115 8.605 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.977 1.209 8.549 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.249 -0.049 9.005 1.00 0.00 N ATOM 0 H GLN A 42 -11.241 -3.130 7.298 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.054 -3.115 6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.836 -1.072 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.516 -0.712 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.173 -1.023 8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.738 -1.946 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.845 -0.985 9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.695 0.754 9.303 1.00 0.00 H new ATOM 607 N ALA A 43 -11.813 -2.863 4.317 1.00 0.00 N ATOM 608 CA ALA A 43 -11.529 -2.800 2.892 1.00 0.00 C ATOM 609 C ALA A 43 -12.205 -3.892 2.097 1.00 0.00 C ATOM 610 O ALA A 43 -12.636 -3.662 0.973 1.00 0.00 O ATOM 611 CB ALA A 43 -10.049 -2.862 2.674 1.00 0.00 C ATOM 0 H ALA A 43 -10.973 -2.907 4.893 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.934 -1.854 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.836 -2.815 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.572 -2.021 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.660 -3.796 3.080 1.00 0.00 H new ATOM 617 N GLN A 44 -12.309 -5.076 2.669 1.00 0.00 N ATOM 618 CA GLN A 44 -12.899 -6.161 2.001 1.00 0.00 C ATOM 619 C GLN A 44 -14.369 -5.959 1.695 1.00 0.00 C ATOM 620 O GLN A 44 -14.889 -6.439 0.706 1.00 0.00 O ATOM 621 CB GLN A 44 -12.681 -7.381 2.753 1.00 0.00 C ATOM 622 CG GLN A 44 -13.021 -7.416 4.209 1.00 0.00 C ATOM 623 CD GLN A 44 -12.146 -8.440 4.846 1.00 0.00 C ATOM 624 OE1 GLN A 44 -12.526 -9.132 5.783 1.00 0.00 O ATOM 625 NE2 GLN A 44 -10.918 -8.471 4.390 1.00 0.00 N ATOM 0 H GLN A 44 -11.979 -5.287 3.611 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.409 -6.240 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.250 -8.172 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.627 -7.641 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.862 -6.438 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.072 -7.667 4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.650 -7.875 3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.230 -9.091 4.818 1.00 0.00 H new ATOM 634 N GLU A 45 -14.999 -5.234 2.538 1.00 0.00 N ATOM 635 CA GLU A 45 -16.394 -4.880 2.383 1.00 0.00 C ATOM 636 C GLU A 45 -16.495 -3.751 1.380 1.00 0.00 C ATOM 637 O GLU A 45 -17.356 -3.743 0.497 1.00 0.00 O ATOM 638 CB GLU A 45 -16.951 -4.397 3.712 1.00 0.00 C ATOM 639 CG GLU A 45 -16.816 -5.409 4.847 1.00 0.00 C ATOM 640 CD GLU A 45 -17.537 -6.706 4.555 1.00 0.00 C ATOM 641 OE1 GLU A 45 -18.773 -6.769 4.726 1.00 0.00 O ATOM 642 OE2 GLU A 45 -16.884 -7.703 4.164 1.00 0.00 O ATOM 0 H GLU A 45 -14.568 -4.852 3.380 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.957 -5.750 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.439 -3.478 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.005 -4.149 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.760 -5.615 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.212 -4.975 5.765 1.00 0.00 H new ATOM 649 N VAL A 46 -15.583 -2.813 1.516 1.00 0.00 N ATOM 650 CA VAL A 46 -15.532 -1.622 0.688 1.00 0.00 C ATOM 651 C VAL A 46 -15.254 -1.987 -0.788 1.00 0.00 C ATOM 652 O VAL A 46 -15.809 -1.390 -1.702 1.00 0.00 O ATOM 653 CB VAL A 46 -14.448 -0.629 1.210 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.510 0.676 0.476 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.592 -0.374 2.698 1.00 0.00 C ATOM 0 H VAL A 46 -14.842 -2.855 2.216 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.505 -1.135 0.746 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.481 -1.097 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.743 1.347 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.341 0.504 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.492 1.127 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.819 0.322 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.574 0.053 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.486 -1.314 3.240 1.00 0.00 H new ATOM 665 N MET A 47 -14.440 -3.016 -1.007 1.00 0.00 N ATOM 666 CA MET A 47 -14.085 -3.455 -2.370 1.00 0.00 C ATOM 667 C MET A 47 -15.273 -4.047 -3.124 1.00 0.00 C ATOM 668 O MET A 47 -15.253 -4.155 -4.344 1.00 0.00 O ATOM 669 CB MET A 47 -12.837 -4.385 -2.382 1.00 0.00 C ATOM 670 CG MET A 47 -12.957 -5.768 -1.725 1.00 0.00 C ATOM 671 SD MET A 47 -13.991 -6.943 -2.624 1.00 0.00 S ATOM 672 CE MET A 47 -13.717 -8.435 -1.665 1.00 0.00 C ATOM 0 H MET A 47 -14.010 -3.567 -0.264 1.00 0.00 H new ATOM 0 HA MET A 47 -13.802 -2.558 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.543 -4.534 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.021 -3.853 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 47 -11.959 -6.192 -1.617 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.361 -5.644 -0.720 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.912 -9.308 -2.287 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.684 -8.460 -1.318 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.388 -8.444 -0.806 1.00 0.00 H new ATOM 682 N ALA A 48 -16.315 -4.392 -2.392 1.00 0.00 N ATOM 683 CA ALA A 48 -17.524 -4.905 -2.994 1.00 0.00 C ATOM 684 C ALA A 48 -18.420 -3.741 -3.416 1.00 0.00 C ATOM 685 O ALA A 48 -19.341 -3.896 -4.230 1.00 0.00 O ATOM 686 CB ALA A 48 -18.253 -5.814 -2.015 1.00 0.00 C ATOM 0 H ALA A 48 -16.345 -4.325 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.267 -5.490 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.162 -6.194 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.607 -6.649 -1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.512 -5.250 -1.119 1.00 0.00 H new ATOM 692 N ALA A 49 -18.135 -2.575 -2.870 1.00 0.00 N ATOM 693 CA ALA A 49 -18.899 -1.384 -3.151 1.00 0.00 C ATOM 694 C ALA A 49 -18.195 -0.537 -4.197 1.00 0.00 C ATOM 695 O ALA A 49 -18.838 0.142 -4.998 1.00 0.00 O ATOM 696 CB ALA A 49 -19.123 -0.591 -1.881 1.00 0.00 C ATOM 0 H ALA A 49 -17.364 -2.431 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.871 -1.678 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.701 0.305 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.669 -1.202 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.161 -0.304 -1.457 1.00 0.00 H new ATOM 702 N ALA A 50 -16.883 -0.573 -4.199 1.00 0.00 N ATOM 703 CA ALA A 50 -16.128 0.129 -5.131 1.00 0.00 C ATOM 704 C ALA A 50 -15.024 -0.782 -5.559 1.00 0.00 C ATOM 705 O ALA A 50 -14.018 -0.907 -4.863 1.00 0.00 O ATOM 706 CB ALA A 50 -15.580 1.397 -4.513 1.00 0.00 C ATOM 0 H ALA A 50 -16.330 -1.108 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.731 0.429 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.991 1.937 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.406 2.025 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.948 1.143 -3.662 1.00 0.00 H new ATOM 712 N PRO A 51 -15.222 -1.520 -6.653 1.00 0.00 N ATOM 713 CA PRO A 51 -14.223 -2.435 -7.166 1.00 0.00 C ATOM 714 C PRO A 51 -13.077 -1.693 -7.859 1.00 0.00 C ATOM 715 O PRO A 51 -12.857 -1.806 -9.069 1.00 0.00 O ATOM 716 CB PRO A 51 -14.992 -3.344 -8.138 1.00 0.00 C ATOM 717 CG PRO A 51 -16.428 -2.923 -8.055 1.00 0.00 C ATOM 718 CD PRO A 51 -16.447 -1.552 -7.458 1.00 0.00 C ATOM 0 HA PRO A 51 -13.743 -3.006 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.613 -3.237 -9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.877 -4.393 -7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.887 -2.920 -9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.999 -3.619 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.444 -0.778 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.335 -1.391 -6.847 1.00 0.00 H new ATOM 726 N LEU A 52 -12.413 -0.893 -7.085 1.00 0.00 N ATOM 727 CA LEU A 52 -11.259 -0.156 -7.498 1.00 0.00 C ATOM 728 C LEU A 52 -10.002 -0.873 -6.989 1.00 0.00 C ATOM 729 O LEU A 52 -10.103 -1.851 -6.250 1.00 0.00 O ATOM 730 CB LEU A 52 -11.376 1.336 -7.023 1.00 0.00 C ATOM 731 CG LEU A 52 -11.980 1.565 -5.612 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.043 1.175 -4.497 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.484 2.979 -5.425 1.00 0.00 C ATOM 0 H LEU A 52 -12.669 -0.729 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.186 -0.118 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.381 1.781 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.984 1.879 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.838 0.896 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.524 1.359 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.796 0.117 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.130 1.767 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.897 3.088 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.659 3.680 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.259 3.189 -6.162 1.00 0.00 H new ATOM 745 N GLN A 53 -8.855 -0.414 -7.390 1.00 0.00 N ATOM 746 CA GLN A 53 -7.620 -1.003 -7.033 1.00 0.00 C ATOM 747 C GLN A 53 -7.198 -0.585 -5.628 1.00 0.00 C ATOM 748 O GLN A 53 -7.311 0.570 -5.261 1.00 0.00 O ATOM 749 CB GLN A 53 -6.609 -0.544 -8.046 1.00 0.00 C ATOM 750 CG GLN A 53 -5.217 -0.814 -7.676 1.00 0.00 C ATOM 751 CD GLN A 53 -4.199 -0.184 -8.602 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.443 0.026 -9.794 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.035 0.088 -8.068 1.00 0.00 N ATOM 0 H GLN A 53 -8.760 0.404 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.703 -2.090 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.820 -1.030 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.730 0.528 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.045 -0.451 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.059 -1.892 -7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.871 -0.100 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.292 0.488 -8.641 1.00 0.00 H new ATOM 762 N TYR A 54 -6.697 -1.514 -4.867 1.00 0.00 N ATOM 763 CA TYR A 54 -6.239 -1.222 -3.533 1.00 0.00 C ATOM 764 C TYR A 54 -4.731 -1.287 -3.467 1.00 0.00 C ATOM 765 O TYR A 54 -4.091 -2.156 -4.109 1.00 0.00 O ATOM 766 CB TYR A 54 -6.877 -2.160 -2.492 1.00 0.00 C ATOM 767 CG TYR A 54 -8.330 -1.870 -2.200 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.320 -2.082 -3.142 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.699 -1.342 -0.981 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.631 -1.777 -2.867 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.002 -1.026 -0.700 1.00 0.00 C ATOM 772 CZ TYR A 54 -10.963 -1.248 -1.642 1.00 0.00 C ATOM 773 OH TYR A 54 -12.254 -0.907 -1.374 1.00 0.00 O ATOM 0 H TYR A 54 -6.593 -2.489 -5.147 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.554 -0.208 -3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.788 -3.188 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.311 -2.091 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.059 -2.493 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.942 -1.173 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.396 -1.952 -3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.266 -0.605 0.259 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.701 -0.639 -2.204 1.00 0.00 H new ATOM 783 N VAL A 55 -4.164 -0.375 -2.731 1.00 0.00 N ATOM 784 CA VAL A 55 -2.751 -0.317 -2.533 1.00 0.00 C ATOM 785 C VAL A 55 -2.489 -0.182 -1.060 1.00 0.00 C ATOM 786 O VAL A 55 -3.210 0.519 -0.362 1.00 0.00 O ATOM 787 CB VAL A 55 -2.064 0.850 -3.334 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.638 2.217 -2.951 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.543 0.837 -3.134 1.00 0.00 C ATOM 0 H VAL A 55 -4.681 0.358 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.311 -1.236 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.277 0.681 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.137 2.996 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.706 2.237 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.480 2.393 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.095 1.654 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.314 0.959 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.138 -0.112 -3.485 1.00 0.00 H new ATOM 799 N GLY A 56 -1.525 -0.894 -0.595 1.00 0.00 N ATOM 800 CA GLY A 56 -1.183 -0.835 0.774 1.00 0.00 C ATOM 801 C GLY A 56 0.104 -0.139 0.985 1.00 0.00 C ATOM 802 O GLY A 56 1.126 -0.538 0.433 1.00 0.00 O ATOM 0 H GLY A 56 -0.956 -1.530 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.970 -0.320 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.121 -1.846 1.178 1.00 0.00 H new ATOM 806 N VAL A 57 0.075 0.902 1.758 1.00 0.00 N ATOM 807 CA VAL A 57 1.269 1.648 2.030 1.00 0.00 C ATOM 808 C VAL A 57 1.566 1.481 3.490 1.00 0.00 C ATOM 809 O VAL A 57 0.883 2.037 4.328 1.00 0.00 O ATOM 810 CB VAL A 57 1.109 3.166 1.726 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.454 3.878 1.778 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.381 3.424 0.401 1.00 0.00 C ATOM 0 H VAL A 57 -0.765 1.257 2.215 1.00 0.00 H new ATOM 0 HA VAL A 57 2.069 1.275 1.391 1.00 0.00 H new ATOM 0 HB VAL A 57 0.478 3.585 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.314 4.937 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.887 3.765 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.125 3.443 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.295 4.498 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.944 2.975 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.615 2.983 0.441 1.00 0.00 H new ATOM 822 N PHE A 58 2.543 0.722 3.811 1.00 0.00 N ATOM 823 CA PHE A 58 2.809 0.478 5.192 1.00 0.00 C ATOM 824 C PHE A 58 4.201 -0.005 5.325 1.00 0.00 C ATOM 825 O PHE A 58 4.735 -0.638 4.422 1.00 0.00 O ATOM 826 CB PHE A 58 1.800 -0.558 5.764 1.00 0.00 C ATOM 827 CG PHE A 58 1.847 -0.734 7.263 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.368 0.258 8.103 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.365 -1.885 7.828 1.00 0.00 C ATOM 830 CE1 PHE A 58 1.409 0.103 9.473 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.409 -2.047 9.197 1.00 0.00 C ATOM 832 CZ PHE A 58 1.930 -1.051 10.022 1.00 0.00 C ATOM 0 H PHE A 58 3.170 0.260 3.153 1.00 0.00 H new ATOM 0 HA PHE A 58 2.690 1.399 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.792 -0.256 5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.988 -1.523 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.958 1.163 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.741 -2.669 7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.033 0.885 10.116 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.818 -2.952 9.622 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.963 -1.174 11.095 1.00 0.00 H new ATOM 842 N ARG A 59 4.821 0.346 6.388 1.00 0.00 N ATOM 843 CA ARG A 59 6.108 -0.144 6.643 1.00 0.00 C ATOM 844 C ARG A 59 5.927 -1.401 7.448 1.00 0.00 C ATOM 845 O ARG A 59 5.794 -1.374 8.663 1.00 0.00 O ATOM 846 CB ARG A 59 6.928 0.932 7.353 1.00 0.00 C ATOM 847 CG ARG A 59 6.975 2.216 6.532 1.00 0.00 C ATOM 848 CD ARG A 59 7.776 3.321 7.182 1.00 0.00 C ATOM 849 NE ARG A 59 7.907 4.463 6.265 1.00 0.00 N ATOM 850 CZ ARG A 59 9.002 5.230 6.122 1.00 0.00 C ATOM 851 NH1 ARG A 59 10.036 5.094 6.949 1.00 0.00 N ATOM 852 NH2 ARG A 59 9.042 6.152 5.174 1.00 0.00 N ATOM 0 H ARG A 59 4.448 0.977 7.097 1.00 0.00 H new ATOM 0 HA ARG A 59 6.664 -0.386 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.494 1.138 8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.941 0.568 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.402 1.996 5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.957 2.567 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.288 3.640 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.764 2.951 7.456 1.00 0.00 H new ATOM 0 HE ARG A 59 7.098 4.693 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.002 4.403 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.863 5.680 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.243 6.280 4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.872 6.735 5.064 1.00 0.00 H new ATOM 866 N ASN A 60 5.857 -2.499 6.729 1.00 0.00 N ATOM 867 CA ASN A 60 5.569 -3.750 7.253 1.00 0.00 C ATOM 868 C ASN A 60 6.745 -4.362 7.891 1.00 0.00 C ATOM 869 O ASN A 60 7.913 -4.015 7.649 1.00 0.00 O ATOM 870 CB ASN A 60 4.982 -4.696 6.191 1.00 0.00 C ATOM 871 CG ASN A 60 3.612 -4.272 5.656 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.524 -3.487 4.723 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.541 -4.829 6.194 1.00 0.00 N ATOM 0 H ASN A 60 6.012 -2.509 5.721 1.00 0.00 H new ATOM 0 HA ASN A 60 4.812 -3.594 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.680 -4.763 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.899 -5.695 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.614 -4.607 5.831 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.642 -5.481 6.972 1.00 0.00 H new ATOM 880 N HIS A 61 6.405 -5.239 8.683 1.00 0.00 N ATOM 881 CA HIS A 61 7.281 -6.016 9.524 1.00 0.00 C ATOM 882 C HIS A 61 7.333 -7.476 9.066 1.00 0.00 C ATOM 883 O HIS A 61 8.304 -7.899 8.429 1.00 0.00 O ATOM 884 CB HIS A 61 6.855 -5.872 11.025 1.00 0.00 C ATOM 885 CG HIS A 61 5.345 -5.769 11.256 1.00 0.00 C ATOM 886 ND1 HIS A 61 4.506 -6.830 11.545 1.00 0.00 N ATOM 887 CD2 HIS A 61 4.536 -4.675 11.186 1.00 0.00 C ATOM 888 CE1 HIS A 61 3.255 -6.357 11.623 1.00 0.00 C ATOM 889 NE2 HIS A 61 3.223 -5.055 11.414 1.00 0.00 N ATOM 0 H HIS A 61 5.425 -5.493 8.809 1.00 0.00 H new ATOM 0 HA HIS A 61 8.296 -5.629 9.433 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.236 -6.729 11.580 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.333 -4.985 11.441 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.790 -7.801 11.676 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.867 -3.667 10.984 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.385 -6.963 11.830 1.00 0.00 H new ATOM 897 N ASP A 62 6.275 -8.210 9.324 1.00 0.00 N ATOM 898 CA ASP A 62 6.207 -9.624 8.971 1.00 0.00 C ATOM 899 C ASP A 62 5.899 -9.766 7.512 1.00 0.00 C ATOM 900 O ASP A 62 4.986 -9.114 7.008 1.00 0.00 O ATOM 901 CB ASP A 62 5.103 -10.353 9.764 1.00 0.00 C ATOM 902 CG ASP A 62 5.298 -10.353 11.257 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.007 -11.241 11.782 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.723 -9.476 11.943 1.00 0.00 O ATOM 0 H ASP A 62 5.437 -7.853 9.782 1.00 0.00 H new ATOM 0 HA ASP A 62 7.173 -10.068 9.212 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.144 -9.888 9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.047 -11.385 9.418 1.00 0.00 H new ATOM 909 N ILE A 63 6.636 -10.611 6.822 1.00 0.00 N ATOM 910 CA ILE A 63 6.353 -10.871 5.417 1.00 0.00 C ATOM 911 C ILE A 63 5.024 -11.598 5.286 1.00 0.00 C ATOM 912 O ILE A 63 4.246 -11.339 4.364 1.00 0.00 O ATOM 913 CB ILE A 63 7.507 -11.636 4.692 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.124 -11.931 3.237 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.882 -12.918 5.425 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.294 -12.218 2.344 1.00 0.00 C ATOM 0 H ILE A 63 7.429 -11.128 7.202 1.00 0.00 H new ATOM 0 HA ILE A 63 6.281 -9.908 4.911 1.00 0.00 H new ATOM 0 HB ILE A 63 8.386 -10.991 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.446 -12.785 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.575 -11.079 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.687 -13.421 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.213 -12.676 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.014 -13.575 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.940 -12.416 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.962 -11.357 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.832 -13.089 2.718 1.00 0.00 H new ATOM 928 N ALA A 64 4.708 -12.400 6.302 1.00 0.00 N ATOM 929 CA ALA A 64 3.472 -13.167 6.341 1.00 0.00 C ATOM 930 C ALA A 64 2.279 -12.244 6.481 1.00 0.00 C ATOM 931 O ALA A 64 1.161 -12.600 6.146 1.00 0.00 O ATOM 932 CB ALA A 64 3.502 -14.154 7.494 1.00 0.00 C ATOM 0 H ALA A 64 5.304 -12.534 7.119 1.00 0.00 H new ATOM 0 HA ALA A 64 3.379 -13.718 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.571 -14.721 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.341 -14.838 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.615 -13.613 8.433 1.00 0.00 H new ATOM 938 N ASP A 65 2.542 -11.044 6.937 1.00 0.00 N ATOM 939 CA ASP A 65 1.512 -10.046 7.156 1.00 0.00 C ATOM 940 C ASP A 65 1.196 -9.361 5.861 1.00 0.00 C ATOM 941 O ASP A 65 0.030 -9.112 5.539 1.00 0.00 O ATOM 942 CB ASP A 65 1.958 -9.027 8.203 1.00 0.00 C ATOM 943 CG ASP A 65 1.014 -7.847 8.312 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.134 -8.024 8.780 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.408 -6.731 7.955 1.00 0.00 O ATOM 0 H ASP A 65 3.483 -10.725 7.170 1.00 0.00 H new ATOM 0 HA ASP A 65 0.615 -10.540 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.032 -9.518 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.955 -8.667 7.951 1.00 0.00 H new ATOM 950 N VAL A 66 2.234 -9.099 5.097 1.00 0.00 N ATOM 951 CA VAL A 66 2.098 -8.479 3.800 1.00 0.00 C ATOM 952 C VAL A 66 1.374 -9.430 2.874 1.00 0.00 C ATOM 953 O VAL A 66 0.406 -9.051 2.221 1.00 0.00 O ATOM 954 CB VAL A 66 3.467 -8.135 3.179 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.293 -7.363 1.880 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.319 -7.359 4.157 1.00 0.00 C ATOM 0 H VAL A 66 3.197 -9.311 5.359 1.00 0.00 H new ATOM 0 HA VAL A 66 1.540 -7.552 3.930 1.00 0.00 H new ATOM 0 HB VAL A 66 3.980 -9.069 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.272 -7.131 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.728 -7.967 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.754 -6.436 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.280 -7.127 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.812 -6.432 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.480 -7.957 5.054 1.00 0.00 H new ATOM 966 N VAL A 67 1.817 -10.694 2.882 1.00 0.00 N ATOM 967 CA VAL A 67 1.220 -11.731 2.028 1.00 0.00 C ATOM 968 C VAL A 67 -0.248 -11.893 2.374 1.00 0.00 C ATOM 969 O VAL A 67 -1.098 -12.022 1.493 1.00 0.00 O ATOM 970 CB VAL A 67 1.953 -13.099 2.170 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.311 -14.171 1.291 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.416 -12.951 1.811 1.00 0.00 C ATOM 0 H VAL A 67 2.584 -11.023 3.468 1.00 0.00 H new ATOM 0 HA VAL A 67 1.325 -11.410 0.992 1.00 0.00 H new ATOM 0 HB VAL A 67 1.866 -13.414 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.847 -15.112 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.270 -14.306 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.358 -13.861 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.915 -13.914 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.505 -12.605 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.883 -12.227 2.478 1.00 0.00 H new ATOM 982 N ASP A 68 -0.522 -11.839 3.663 1.00 0.00 N ATOM 983 CA ASP A 68 -1.870 -11.917 4.202 1.00 0.00 C ATOM 984 C ASP A 68 -2.757 -10.834 3.599 1.00 0.00 C ATOM 985 O ASP A 68 -3.685 -11.135 2.873 1.00 0.00 O ATOM 986 CB ASP A 68 -1.811 -11.768 5.725 1.00 0.00 C ATOM 987 CG ASP A 68 -3.155 -11.733 6.402 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.702 -12.807 6.720 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.655 -10.623 6.690 1.00 0.00 O ATOM 0 H ASP A 68 0.197 -11.738 4.379 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.301 -12.885 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.233 -12.596 6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.273 -10.852 5.967 1.00 0.00 H new ATOM 994 N LYS A 69 -2.403 -9.584 3.823 1.00 0.00 N ATOM 995 CA LYS A 69 -3.216 -8.438 3.368 1.00 0.00 C ATOM 996 C LYS A 69 -3.331 -8.405 1.854 1.00 0.00 C ATOM 997 O LYS A 69 -4.415 -8.131 1.308 1.00 0.00 O ATOM 998 CB LYS A 69 -2.615 -7.115 3.872 1.00 0.00 C ATOM 999 CG LYS A 69 -2.391 -7.060 5.377 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.684 -7.239 6.123 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.473 -7.349 7.615 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.664 -8.524 7.975 1.00 0.00 N ATOM 0 H LYS A 69 -1.553 -9.319 4.320 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.216 -8.560 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.663 -6.947 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.276 -6.297 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.687 -7.838 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.941 -6.104 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.342 -6.396 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.188 -8.135 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.982 -6.446 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.440 -7.409 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.943 -8.862 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.819 -9.279 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.657 -8.263 7.984 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.233 -8.705 1.193 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.161 -8.709 -0.246 1.00 0.00 C ATOM 1018 C ALA A 70 -3.110 -9.730 -0.842 1.00 0.00 C ATOM 1019 O ALA A 70 -3.779 -9.449 -1.836 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.743 -8.985 -0.684 1.00 0.00 C ATOM 0 H ALA A 70 -1.356 -8.956 1.649 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.464 -7.727 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.692 -8.987 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.084 -8.211 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.427 -9.957 -0.304 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.185 -10.896 -0.227 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.016 -11.937 -0.693 1.00 0.00 C ATOM 1028 C LYS A 71 -5.474 -11.732 -0.266 1.00 0.00 C ATOM 1029 O LYS A 71 -6.366 -11.808 -1.107 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.475 -13.256 -0.190 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.359 -14.419 -0.464 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.773 -15.674 0.095 1.00 0.00 C ATOM 1033 CE LYS A 71 -4.809 -16.746 0.108 1.00 0.00 C ATOM 1034 NZ LYS A 71 -5.278 -17.097 -1.251 1.00 0.00 N ATOM 0 H LYS A 71 -2.658 -11.127 0.615 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.011 -11.936 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.503 -13.436 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.311 -13.183 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.342 -14.245 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.503 -14.527 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.918 -15.987 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.405 -15.497 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.401 -17.635 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.658 -16.419 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.865 -17.954 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.840 -16.312 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.458 -17.272 -1.867 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.699 -11.444 1.027 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.059 -11.287 1.578 1.00 0.00 C ATOM 1050 C VAL A 72 -7.842 -10.227 0.821 1.00 0.00 C ATOM 1051 O VAL A 72 -8.926 -10.494 0.310 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.066 -10.925 3.101 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.489 -10.752 3.616 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.361 -11.980 3.922 1.00 0.00 C ATOM 0 H VAL A 72 -4.955 -11.315 1.713 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.535 -12.260 1.458 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.530 -9.982 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.464 -10.501 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.980 -9.950 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.042 -11.681 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.384 -11.698 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.864 -12.938 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.326 -12.066 3.592 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.294 -9.035 0.730 1.00 0.00 N ATOM 1065 CA LEU A 73 -7.991 -7.973 0.054 1.00 0.00 C ATOM 1066 C LEU A 73 -7.805 -8.030 -1.462 1.00 0.00 C ATOM 1067 O LEU A 73 -8.552 -7.388 -2.205 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.528 -6.648 0.610 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.172 -5.399 0.063 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.678 -5.464 0.255 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.593 -4.206 0.771 1.00 0.00 C ATOM 0 H LEU A 73 -6.382 -8.783 1.110 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.059 -8.093 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.685 -6.663 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.453 -6.572 0.446 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.973 -5.313 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.135 -4.558 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.075 -6.332 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.906 -5.549 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.051 -3.296 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.791 -4.286 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.517 -4.170 0.603 1.00 0.00 H new ATOM 1083 N SER A 74 -6.839 -8.816 -1.901 1.00 0.00 N ATOM 1084 CA SER A 74 -6.485 -8.915 -3.300 1.00 0.00 C ATOM 1085 C SER A 74 -6.005 -7.544 -3.800 1.00 0.00 C ATOM 1086 O SER A 74 -6.658 -6.879 -4.639 1.00 0.00 O ATOM 1087 CB SER A 74 -7.647 -9.497 -4.154 1.00 0.00 C ATOM 1088 OG SER A 74 -7.286 -9.635 -5.522 1.00 0.00 O ATOM 0 H SER A 74 -6.275 -9.407 -1.290 1.00 0.00 H new ATOM 0 HA SER A 74 -5.664 -9.624 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.938 -10.469 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.518 -8.846 -4.073 1.00 0.00 H new ATOM 0 HG SER A 74 -8.042 -10.005 -6.024 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.894 -7.105 -3.218 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.270 -5.846 -3.546 1.00 0.00 C ATOM 1096 C LEU A 75 -3.731 -5.849 -4.967 1.00 0.00 C ATOM 1097 O LEU A 75 -3.811 -6.843 -5.697 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.114 -5.543 -2.572 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.474 -5.374 -1.097 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.234 -5.092 -0.269 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.472 -4.260 -0.926 1.00 0.00 C ATOM 0 H LEU A 75 -4.401 -7.629 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.035 -5.074 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.384 -6.349 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.620 -4.631 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.919 -6.305 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.514 -4.975 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.535 -5.922 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.761 -4.176 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.719 -4.152 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.044 -3.328 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.377 -4.492 -1.488 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.165 -4.752 -5.334 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.580 -4.597 -6.625 1.00 0.00 C ATOM 1115 C ALA A 76 -1.178 -4.171 -6.435 1.00 0.00 C ATOM 1116 O ALA A 76 -0.303 -4.592 -7.149 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.335 -3.600 -7.459 1.00 0.00 C ATOM 0 H ALA A 76 -3.093 -3.926 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.621 -5.544 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.860 -3.509 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.364 -3.937 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.330 -2.631 -6.961 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.968 -3.300 -5.469 1.00 0.00 N ATOM 1124 CA ALA A 77 0.359 -2.926 -5.095 1.00 0.00 C ATOM 1125 C ALA A 77 0.481 -2.746 -3.598 1.00 0.00 C ATOM 1126 O ALA A 77 -0.510 -2.498 -2.900 1.00 0.00 O ATOM 1127 CB ALA A 77 0.764 -1.677 -5.793 1.00 0.00 C ATOM 0 H ALA A 77 -1.707 -2.844 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 77 1.027 -3.734 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.777 -1.407 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.732 -1.836 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.080 -0.872 -5.524 1.00 0.00 H new ATOM 1133 N VAL A 78 1.680 -2.883 -3.125 1.00 0.00 N ATOM 1134 CA VAL A 78 2.024 -2.702 -1.730 1.00 0.00 C ATOM 1135 C VAL A 78 3.374 -1.979 -1.680 1.00 0.00 C ATOM 1136 O VAL A 78 4.204 -2.172 -2.560 1.00 0.00 O ATOM 1137 CB VAL A 78 2.104 -4.053 -0.995 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.146 -4.943 -1.662 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.400 -3.860 0.487 1.00 0.00 C ATOM 0 H VAL A 78 2.479 -3.132 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 78 1.255 -2.115 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 78 1.134 -4.546 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.198 -5.897 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.866 -5.115 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.120 -4.454 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.450 -4.832 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.354 -3.345 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.608 -3.265 0.942 1.00 0.00 H new ATOM 1149 N GLN A 79 3.542 -1.082 -0.748 1.00 0.00 N ATOM 1150 CA GLN A 79 4.677 -0.241 -0.685 1.00 0.00 C ATOM 1151 C GLN A 79 5.645 -0.685 0.400 1.00 0.00 C ATOM 1152 O GLN A 79 5.369 -0.525 1.576 1.00 0.00 O ATOM 1153 CB GLN A 79 4.167 1.122 -0.331 1.00 0.00 C ATOM 1154 CG GLN A 79 3.013 1.605 -1.193 1.00 0.00 C ATOM 1155 CD GLN A 79 3.311 1.606 -2.661 1.00 0.00 C ATOM 1156 OE1 GLN A 79 3.758 2.587 -3.193 1.00 0.00 O ATOM 1157 NE2 GLN A 79 3.118 0.470 -3.310 1.00 0.00 N ATOM 0 H GLN A 79 2.869 -0.922 0.002 1.00 0.00 H new ATOM 0 HA GLN A 79 5.209 -0.265 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.849 1.118 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.987 1.835 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.145 0.972 -1.009 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.741 2.615 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.736 -0.339 -2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.351 0.403 -4.301 1.00 0.00 H new ATOM 1166 N LEU A 80 6.769 -1.205 0.014 1.00 0.00 N ATOM 1167 CA LEU A 80 7.772 -1.627 0.954 1.00 0.00 C ATOM 1168 C LEU A 80 8.952 -0.751 0.758 1.00 0.00 C ATOM 1169 O LEU A 80 9.318 -0.468 -0.380 1.00 0.00 O ATOM 1170 CB LEU A 80 8.179 -3.110 0.836 1.00 0.00 C ATOM 1171 CG LEU A 80 7.152 -4.180 1.237 1.00 0.00 C ATOM 1172 CD1 LEU A 80 6.569 -3.921 2.620 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.074 -4.355 0.195 1.00 0.00 C ATOM 0 H LEU A 80 7.021 -1.351 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 80 7.351 -1.537 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.465 -3.295 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.071 -3.260 1.445 1.00 0.00 H new ATOM 0 HG LEU A 80 7.692 -5.125 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.848 -4.701 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.370 -3.925 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.071 -2.951 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.372 -5.121 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.544 -3.412 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.526 -4.658 -0.749 1.00 0.00 H new ATOM 1185 N HIS A 81 9.540 -0.314 1.842 1.00 0.00 N ATOM 1186 CA HIS A 81 10.632 0.660 1.792 1.00 0.00 C ATOM 1187 C HIS A 81 11.039 1.048 3.193 1.00 0.00 C ATOM 1188 O HIS A 81 12.169 1.370 3.457 1.00 0.00 O ATOM 1189 CB HIS A 81 10.171 1.971 1.035 1.00 0.00 C ATOM 1190 CG HIS A 81 9.013 2.727 1.700 1.00 0.00 C ATOM 1191 ND1 HIS A 81 7.701 2.268 1.745 1.00 0.00 N ATOM 1192 CD2 HIS A 81 9.014 3.890 2.402 1.00 0.00 C ATOM 1193 CE1 HIS A 81 6.980 3.140 2.456 1.00 0.00 C ATOM 1194 NE2 HIS A 81 7.726 4.142 2.878 1.00 0.00 N ATOM 0 H HIS A 81 9.287 -0.613 2.784 1.00 0.00 H new ATOM 0 HA HIS A 81 11.469 0.202 1.265 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.024 2.644 0.951 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.876 1.703 0.021 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.350 1.414 1.311 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.875 4.520 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.924 3.037 2.659 1.00 0.00 H new ATOM 1202 N GLY A 82 10.111 1.003 4.082 1.00 0.00 N ATOM 1203 CA GLY A 82 10.361 1.645 5.341 1.00 0.00 C ATOM 1204 C GLY A 82 10.997 0.861 6.472 1.00 0.00 C ATOM 1205 O GLY A 82 12.041 1.269 6.980 1.00 0.00 O ATOM 0 H GLY A 82 9.203 0.550 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.997 2.508 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.408 2.028 5.706 1.00 0.00 H new ATOM 1209 N ASN A 83 10.418 -0.246 6.857 1.00 0.00 N ATOM 1210 CA ASN A 83 10.742 -0.769 8.183 1.00 0.00 C ATOM 1211 C ASN A 83 12.021 -1.612 8.371 1.00 0.00 C ATOM 1212 O ASN A 83 12.978 -1.133 8.972 1.00 0.00 O ATOM 1213 CB ASN A 83 9.529 -1.492 8.786 1.00 0.00 C ATOM 1214 CG ASN A 83 9.763 -2.000 10.202 1.00 0.00 C ATOM 1215 OD1 ASN A 83 10.518 -1.420 10.970 1.00 0.00 O ATOM 1216 ND2 ASN A 83 9.115 -3.075 10.545 1.00 0.00 N ATOM 0 H ASN A 83 9.750 -0.790 6.311 1.00 0.00 H new ATOM 0 HA ASN A 83 10.995 0.142 8.725 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.677 -0.813 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.264 -2.334 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.228 -3.462 11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.494 -3.531 9.877 1.00 0.00 H new ATOM 1223 N GLU A 84 12.070 -2.818 7.842 1.00 0.00 N ATOM 1224 CA GLU A 84 13.086 -3.727 8.370 1.00 0.00 C ATOM 1225 C GLU A 84 14.480 -3.734 7.715 1.00 0.00 C ATOM 1226 O GLU A 84 15.483 -3.571 8.424 1.00 0.00 O ATOM 1227 CB GLU A 84 12.523 -5.132 8.529 1.00 0.00 C ATOM 1228 CG GLU A 84 13.394 -6.030 9.375 1.00 0.00 C ATOM 1229 CD GLU A 84 12.816 -7.395 9.550 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.942 -7.586 10.417 1.00 0.00 O ATOM 1231 OE2 GLU A 84 13.229 -8.315 8.833 1.00 0.00 O ATOM 0 H GLU A 84 11.470 -3.180 7.101 1.00 0.00 H new ATOM 0 HA GLU A 84 13.314 -3.291 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.532 -5.070 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.399 -5.581 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.378 -6.113 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.538 -5.573 10.354 1.00 0.00 H new ATOM 1238 N GLU A 85 14.565 -3.832 6.405 1.00 0.00 N ATOM 1239 CA GLU A 85 15.866 -4.031 5.757 1.00 0.00 C ATOM 1240 C GLU A 85 15.705 -3.811 4.251 1.00 0.00 C ATOM 1241 O GLU A 85 14.575 -3.706 3.777 1.00 0.00 O ATOM 1242 CB GLU A 85 16.325 -5.475 6.054 1.00 0.00 C ATOM 1243 CG GLU A 85 17.832 -5.655 6.248 1.00 0.00 C ATOM 1244 CD GLU A 85 18.638 -5.487 4.996 1.00 0.00 C ATOM 1245 OE1 GLU A 85 18.630 -6.384 4.147 1.00 0.00 O ATOM 1246 OE2 GLU A 85 19.252 -4.425 4.808 1.00 0.00 O ATOM 0 H GLU A 85 13.770 -3.780 5.768 1.00 0.00 H new ATOM 0 HA GLU A 85 16.610 -3.328 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.815 -5.823 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 85 16.001 -6.117 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.180 -4.936 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.018 -6.649 6.656 1.00 0.00 H new ATOM 1253 N GLN A 86 16.814 -3.794 3.514 1.00 0.00 N ATOM 1254 CA GLN A 86 16.844 -3.549 2.100 1.00 0.00 C ATOM 1255 C GLN A 86 16.396 -4.789 1.383 1.00 0.00 C ATOM 1256 O GLN A 86 15.496 -4.768 0.541 1.00 0.00 O ATOM 1257 CB GLN A 86 18.287 -3.280 1.708 1.00 0.00 C ATOM 1258 CG GLN A 86 18.945 -2.144 2.464 1.00 0.00 C ATOM 1259 CD GLN A 86 20.447 -2.168 2.313 1.00 0.00 C ATOM 1260 OE1 GLN A 86 21.022 -1.547 1.419 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.090 -2.925 3.158 1.00 0.00 N ATOM 0 H GLN A 86 17.739 -3.957 3.911 1.00 0.00 H new ATOM 0 HA GLN A 86 16.198 -2.709 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.868 -4.189 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.325 -3.059 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.558 -1.192 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.684 -2.211 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.579 -3.425 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.104 -3.017 3.091 1.00 0.00 H new ATOM 1270 N LEU A 87 16.991 -5.885 1.782 1.00 0.00 N ATOM 1271 CA LEU A 87 16.797 -7.162 1.142 1.00 0.00 C ATOM 1272 C LEU A 87 15.476 -7.769 1.506 1.00 0.00 C ATOM 1273 O LEU A 87 15.029 -8.714 0.884 1.00 0.00 O ATOM 1274 CB LEU A 87 17.930 -8.088 1.477 1.00 0.00 C ATOM 1275 CG LEU A 87 19.278 -7.515 1.144 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.385 -8.418 1.617 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.405 -7.211 -0.337 1.00 0.00 C ATOM 0 H LEU A 87 17.634 -5.916 2.573 1.00 0.00 H new ATOM 0 HA LEU A 87 16.788 -7.001 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.895 -8.325 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.797 -9.025 0.937 1.00 0.00 H new ATOM 0 HG LEU A 87 19.373 -6.569 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.349 -7.977 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.317 -8.541 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.292 -9.391 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.393 -6.798 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.270 -8.129 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.643 -6.488 -0.627 1.00 0.00 H new ATOM 1289 N TYR A 88 14.857 -7.219 2.530 1.00 0.00 N ATOM 1290 CA TYR A 88 13.534 -7.630 2.945 1.00 0.00 C ATOM 1291 C TYR A 88 12.551 -7.434 1.795 1.00 0.00 C ATOM 1292 O TYR A 88 11.703 -8.275 1.542 1.00 0.00 O ATOM 1293 CB TYR A 88 13.107 -6.850 4.199 1.00 0.00 C ATOM 1294 CG TYR A 88 11.648 -6.996 4.573 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.087 -8.239 4.839 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.831 -5.879 4.646 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.748 -8.361 5.165 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.494 -5.992 4.978 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.958 -7.231 5.234 1.00 0.00 C ATOM 1300 OH TYR A 88 7.631 -7.340 5.568 1.00 0.00 O ATOM 0 H TYR A 88 15.259 -6.473 3.098 1.00 0.00 H new ATOM 0 HA TYR A 88 13.542 -8.689 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.717 -7.180 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.323 -5.793 4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.705 -9.123 4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.246 -4.903 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.324 -9.334 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.873 -5.110 5.036 1.00 0.00 H new ATOM 0 HH TYR A 88 7.551 -7.616 6.505 1.00 0.00 H new ATOM 1310 N ILE A 89 12.746 -6.368 1.046 1.00 0.00 N ATOM 1311 CA ILE A 89 11.898 -6.038 -0.089 1.00 0.00 C ATOM 1312 C ILE A 89 12.056 -7.107 -1.170 1.00 0.00 C ATOM 1313 O ILE A 89 11.087 -7.514 -1.811 1.00 0.00 O ATOM 1314 CB ILE A 89 12.224 -4.603 -0.655 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.685 -3.478 0.254 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.673 -4.411 -2.062 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.269 -3.405 1.643 1.00 0.00 C ATOM 0 H ILE A 89 13.500 -5.700 1.206 1.00 0.00 H new ATOM 0 HA ILE A 89 10.860 -6.019 0.243 1.00 0.00 H new ATOM 0 HB ILE A 89 13.312 -4.538 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.861 -2.523 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.605 -3.597 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.919 -3.410 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.115 -5.150 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.590 -4.535 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.814 -2.577 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.070 -4.338 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.346 -3.247 1.577 1.00 0.00 H new ATOM 1329 N ASP A 90 13.266 -7.623 -1.269 1.00 0.00 N ATOM 1330 CA ASP A 90 13.637 -8.657 -2.234 1.00 0.00 C ATOM 1331 C ASP A 90 12.965 -9.973 -1.878 1.00 0.00 C ATOM 1332 O ASP A 90 12.697 -10.818 -2.729 1.00 0.00 O ATOM 1333 CB ASP A 90 15.154 -8.824 -2.223 1.00 0.00 C ATOM 1334 CG ASP A 90 15.663 -9.796 -3.275 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.898 -9.380 -4.437 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.852 -10.983 -2.968 1.00 0.00 O ATOM 0 H ASP A 90 14.040 -7.333 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 90 13.308 -8.361 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.620 -7.852 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.467 -9.170 -1.238 1.00 0.00 H new ATOM 1341 N THR A 91 12.619 -10.069 -0.638 1.00 0.00 N ATOM 1342 CA THR A 91 12.043 -11.228 -0.052 1.00 0.00 C ATOM 1343 C THR A 91 10.538 -11.224 -0.311 1.00 0.00 C ATOM 1344 O THR A 91 9.954 -12.248 -0.665 1.00 0.00 O ATOM 1345 CB THR A 91 12.356 -11.215 1.455 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.778 -11.194 1.646 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.760 -12.397 2.144 1.00 0.00 C ATOM 0 H THR A 91 12.737 -9.303 0.025 1.00 0.00 H new ATOM 0 HA THR A 91 12.457 -12.137 -0.488 1.00 0.00 H new ATOM 0 HB THR A 91 11.914 -10.320 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.131 -10.319 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.999 -12.358 3.207 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.678 -12.386 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.167 -13.312 1.714 1.00 0.00 H new ATOM 1355 N LEU A 92 9.917 -10.057 -0.120 1.00 0.00 N ATOM 1356 CA LEU A 92 8.500 -9.860 -0.442 1.00 0.00 C ATOM 1357 C LEU A 92 8.105 -10.435 -1.783 1.00 0.00 C ATOM 1358 O LEU A 92 7.159 -11.189 -1.850 1.00 0.00 O ATOM 1359 CB LEU A 92 8.029 -8.398 -0.383 1.00 0.00 C ATOM 1360 CG LEU A 92 7.633 -7.835 0.970 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.672 -8.747 1.652 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.809 -7.600 1.826 1.00 0.00 C ATOM 0 H LEU A 92 10.377 -9.229 0.259 1.00 0.00 H new ATOM 0 HA LEU A 92 7.997 -10.411 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.826 -7.773 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.175 -8.294 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 92 7.149 -6.873 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.398 -8.329 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.778 -8.858 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.136 -9.723 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.486 -7.197 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.336 -8.541 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.476 -6.888 1.340 1.00 0.00 H new ATOM 1374 N ARG A 93 8.869 -10.108 -2.849 1.00 0.00 N ATOM 1375 CA ARG A 93 8.533 -10.618 -4.236 1.00 0.00 C ATOM 1376 C ARG A 93 8.401 -12.120 -4.276 1.00 0.00 C ATOM 1377 O ARG A 93 7.647 -12.670 -5.065 1.00 0.00 O ATOM 1378 CB ARG A 93 9.560 -10.245 -5.332 1.00 0.00 C ATOM 1379 CG ARG A 93 9.642 -8.795 -5.689 1.00 0.00 C ATOM 1380 CD ARG A 93 10.497 -8.034 -4.727 1.00 0.00 C ATOM 1381 NE ARG A 93 11.929 -8.185 -4.992 1.00 0.00 N ATOM 1382 CZ ARG A 93 12.805 -7.173 -5.019 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.380 -5.925 -4.922 1.00 0.00 N ATOM 1384 NH2 ARG A 93 14.099 -7.415 -5.149 1.00 0.00 N ATOM 0 H ARG A 93 9.698 -9.516 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 93 7.586 -10.122 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.546 -10.574 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.319 -10.808 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.046 -8.691 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.640 -8.367 -5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.234 -6.977 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.283 -8.372 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 93 12.283 -9.125 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.383 -5.732 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.049 -5.155 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.433 -8.376 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.763 -6.641 -5.169 1.00 0.00 H new ATOM 1398 N GLU A 94 9.114 -12.761 -3.413 1.00 0.00 N ATOM 1399 CA GLU A 94 9.183 -14.220 -3.405 1.00 0.00 C ATOM 1400 C GLU A 94 7.929 -14.835 -2.800 1.00 0.00 C ATOM 1401 O GLU A 94 7.518 -15.930 -3.172 1.00 0.00 O ATOM 1402 CB GLU A 94 10.408 -14.676 -2.645 1.00 0.00 C ATOM 1403 CG GLU A 94 11.665 -13.969 -3.087 1.00 0.00 C ATOM 1404 CD GLU A 94 12.889 -14.458 -2.367 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.173 -13.984 -1.264 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.587 -15.369 -2.885 1.00 0.00 O ATOM 0 H GLU A 94 9.671 -12.309 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 94 9.253 -14.559 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.255 -14.503 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.534 -15.750 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.799 -14.111 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.553 -12.898 -2.918 1.00 0.00 H new ATOM 1413 N ALA A 95 7.325 -14.131 -1.881 1.00 0.00 N ATOM 1414 CA ALA A 95 6.119 -14.636 -1.211 1.00 0.00 C ATOM 1415 C ALA A 95 4.837 -13.964 -1.721 1.00 0.00 C ATOM 1416 O ALA A 95 3.719 -14.389 -1.415 1.00 0.00 O ATOM 1417 CB ALA A 95 6.250 -14.499 0.293 1.00 0.00 C ATOM 0 H ALA A 95 7.632 -13.210 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 95 6.032 -15.694 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.348 -14.878 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.112 -15.071 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.385 -13.449 0.552 1.00 0.00 H new ATOM 1423 N LEU A 96 5.017 -12.951 -2.501 1.00 0.00 N ATOM 1424 CA LEU A 96 3.929 -12.154 -3.039 1.00 0.00 C ATOM 1425 C LEU A 96 3.560 -12.665 -4.415 1.00 0.00 C ATOM 1426 O LEU A 96 4.443 -12.854 -5.259 1.00 0.00 O ATOM 1427 CB LEU A 96 4.407 -10.707 -3.149 1.00 0.00 C ATOM 1428 CG LEU A 96 3.348 -9.652 -3.382 1.00 0.00 C ATOM 1429 CD1 LEU A 96 2.467 -9.513 -2.150 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.997 -8.337 -3.723 1.00 0.00 C ATOM 0 H LEU A 96 5.940 -12.635 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 96 3.057 -12.219 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.941 -10.455 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.129 -10.649 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 96 2.721 -9.956 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.709 -8.751 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.981 -10.466 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.079 -9.222 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.227 -7.584 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.639 -8.024 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.595 -8.450 -4.627 1.00 0.00 H new ATOM 1442 N PRO A 97 2.265 -12.930 -4.676 1.00 0.00 N ATOM 1443 CA PRO A 97 1.820 -13.353 -5.992 1.00 0.00 C ATOM 1444 C PRO A 97 2.031 -12.258 -7.019 1.00 0.00 C ATOM 1445 O PRO A 97 2.189 -11.080 -6.679 1.00 0.00 O ATOM 1446 CB PRO A 97 0.324 -13.611 -5.838 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.069 -12.897 -4.602 1.00 0.00 C ATOM 1448 CD PRO A 97 1.147 -12.862 -3.717 1.00 0.00 C ATOM 0 HA PRO A 97 2.374 -14.228 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.230 -13.240 -6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.115 -14.678 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.410 -11.887 -4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.894 -13.408 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.184 -11.951 -3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.162 -13.701 -3.021 1.00 0.00 H new ATOM 1456 N ALA A 98 1.950 -12.637 -8.254 1.00 0.00 N ATOM 1457 CA ALA A 98 2.176 -11.753 -9.390 1.00 0.00 C ATOM 1458 C ALA A 98 1.027 -10.764 -9.555 1.00 0.00 C ATOM 1459 O ALA A 98 1.058 -9.883 -10.409 1.00 0.00 O ATOM 1460 CB ALA A 98 2.316 -12.587 -10.646 1.00 0.00 C ATOM 0 H ALA A 98 1.719 -13.593 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 98 3.089 -11.184 -9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.485 -11.932 -11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.160 -13.268 -10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.404 -13.162 -10.805 1.00 0.00 H new ATOM 1466 N HIS A 99 0.008 -10.930 -8.748 1.00 0.00 N ATOM 1467 CA HIS A 99 -1.150 -10.073 -8.804 1.00 0.00 C ATOM 1468 C HIS A 99 -0.844 -8.805 -8.056 1.00 0.00 C ATOM 1469 O HIS A 99 -1.386 -7.747 -8.365 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.377 -10.723 -8.138 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.514 -12.197 -8.336 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.469 -12.839 -9.549 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -2.635 -13.160 -7.410 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -2.560 -14.150 -9.308 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.665 -14.392 -8.022 1.00 0.00 N ATOM 0 H HIS A 99 -0.042 -11.660 -8.037 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.377 -9.885 -9.853 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.337 -10.521 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.275 -10.238 -8.521 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.699 -12.993 -6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.549 -14.913 -10.073 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.751 -15.303 -7.571 1.00 0.00 H new ATOM 1483 N VAL A 100 0.022 -8.902 -7.055 1.00 0.00 N ATOM 1484 CA VAL A 100 0.322 -7.804 -6.278 1.00 0.00 C ATOM 1485 C VAL A 100 1.728 -7.339 -6.611 1.00 0.00 C ATOM 1486 O VAL A 100 2.649 -8.151 -6.780 1.00 0.00 O ATOM 1487 CB VAL A 100 0.192 -8.177 -4.800 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.388 -6.972 -3.953 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -1.163 -8.820 -4.533 1.00 0.00 C ATOM 0 H VAL A 100 0.511 -9.759 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.371 -6.988 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 100 0.964 -8.903 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.294 -7.247 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.380 -6.559 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.366 -6.226 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.241 -9.080 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.956 -8.119 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.263 -9.722 -5.137 1.00 0.00 H new ATOM 1499 N ALA A 101 1.870 -6.068 -6.757 1.00 0.00 N ATOM 1500 CA ALA A 101 3.124 -5.470 -7.075 1.00 0.00 C ATOM 1501 C ALA A 101 3.663 -4.762 -5.862 1.00 0.00 C ATOM 1502 O ALA A 101 2.954 -4.563 -4.884 1.00 0.00 O ATOM 1503 CB ALA A 101 2.961 -4.498 -8.232 1.00 0.00 C ATOM 0 H ALA A 101 1.105 -5.401 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 101 3.829 -6.245 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.925 -4.047 -8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.588 -5.032 -9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.253 -3.717 -7.954 1.00 0.00 H new ATOM 1509 N ILE A 102 4.886 -4.362 -5.933 1.00 0.00 N ATOM 1510 CA ILE A 102 5.530 -3.687 -4.858 1.00 0.00 C ATOM 1511 C ILE A 102 6.013 -2.379 -5.366 1.00 0.00 C ATOM 1512 O ILE A 102 6.691 -2.336 -6.384 1.00 0.00 O ATOM 1513 CB ILE A 102 6.765 -4.445 -4.326 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.393 -5.804 -3.716 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.494 -3.555 -3.330 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.593 -6.650 -3.324 1.00 0.00 C ATOM 0 H ILE A 102 5.477 -4.497 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 102 4.806 -3.597 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 102 7.429 -4.670 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.773 -5.639 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.787 -6.359 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.369 -4.079 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.809 -2.637 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.826 -3.311 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.250 -7.594 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.202 -6.848 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.189 -6.116 -2.584 1.00 0.00 H new ATOM 1528 N TRP A 103 5.692 -1.331 -4.706 1.00 0.00 N ATOM 1529 CA TRP A 103 6.210 -0.061 -5.133 1.00 0.00 C ATOM 1530 C TRP A 103 7.091 0.521 -4.073 1.00 0.00 C ATOM 1531 O TRP A 103 7.032 0.120 -2.893 1.00 0.00 O ATOM 1532 CB TRP A 103 5.132 0.948 -5.465 1.00 0.00 C ATOM 1533 CG TRP A 103 4.109 0.526 -6.493 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.203 -0.479 -7.403 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.842 1.134 -6.710 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.073 -0.536 -8.163 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.224 0.452 -7.766 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.174 2.190 -6.109 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.960 0.794 -8.233 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.919 2.538 -6.572 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.327 1.838 -7.626 1.00 0.00 C ATOM 0 H TRP A 103 5.088 -1.311 -3.884 1.00 0.00 H new ATOM 0 HA TRP A 103 6.772 -0.260 -6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.606 1.201 -4.544 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.615 1.860 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.052 -1.138 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.893 -1.209 -8.908 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.627 2.732 -5.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.497 0.253 -9.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.390 3.361 -6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.655 2.131 -7.968 1.00 0.00 H new ATOM 1552 N LYS A 104 7.898 1.441 -4.477 1.00 0.00 N ATOM 1553 CA LYS A 104 8.736 2.145 -3.586 1.00 0.00 C ATOM 1554 C LYS A 104 8.110 3.486 -3.362 1.00 0.00 C ATOM 1555 O LYS A 104 7.975 4.288 -4.300 1.00 0.00 O ATOM 1556 CB LYS A 104 10.180 2.245 -4.154 1.00 0.00 C ATOM 1557 CG LYS A 104 11.225 2.974 -3.287 1.00 0.00 C ATOM 1558 CD LYS A 104 11.126 4.490 -3.414 1.00 0.00 C ATOM 1559 CE LYS A 104 12.172 5.204 -2.587 1.00 0.00 C ATOM 1560 NZ LYS A 104 11.974 5.025 -1.126 1.00 0.00 N ATOM 0 H LYS A 104 7.991 1.725 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 104 8.830 1.625 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.541 1.234 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.130 2.749 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.090 2.689 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.225 2.652 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.238 4.773 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.134 4.815 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.160 4.835 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.151 6.268 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.609 5.666 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.987 5.242 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.188 4.041 -0.865 1.00 0.00 H new ATOM 1574 N ALA A 105 7.650 3.696 -2.163 1.00 0.00 N ATOM 1575 CA ALA A 105 7.125 4.975 -1.790 1.00 0.00 C ATOM 1576 C ALA A 105 8.282 5.923 -1.623 1.00 0.00 C ATOM 1577 O ALA A 105 9.196 5.694 -0.805 1.00 0.00 O ATOM 1578 CB ALA A 105 6.297 4.885 -0.521 1.00 0.00 C ATOM 0 H ALA A 105 7.628 2.993 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 105 6.456 5.341 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.914 5.873 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.463 4.202 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.919 4.516 0.294 1.00 0.00 H new ATOM 1584 N LEU A 106 8.306 6.898 -2.457 1.00 0.00 N ATOM 1585 CA LEU A 106 9.306 7.901 -2.443 1.00 0.00 C ATOM 1586 C LEU A 106 8.878 8.951 -1.437 1.00 0.00 C ATOM 1587 O LEU A 106 8.041 9.819 -1.733 1.00 0.00 O ATOM 1588 CB LEU A 106 9.443 8.492 -3.864 1.00 0.00 C ATOM 1589 CG LEU A 106 10.541 9.538 -4.091 1.00 0.00 C ATOM 1590 CD1 LEU A 106 11.916 8.914 -3.973 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.373 10.209 -5.448 1.00 0.00 C ATOM 0 H LEU A 106 7.609 7.023 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 106 10.279 7.504 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.615 7.668 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.488 8.942 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 106 10.446 10.299 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.677 9.677 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.038 8.489 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.023 8.127 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.162 10.948 -5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.434 9.458 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.402 10.703 -5.492 1.00 0.00 H new ATOM 1748 N PHE A 117 15.679 0.790 -2.315 1.00 0.00 N ATOM 1749 CA PHE A 117 15.110 -0.523 -2.331 1.00 0.00 C ATOM 1750 C PHE A 117 14.816 -0.817 -3.768 1.00 0.00 C ATOM 1751 O PHE A 117 14.014 -0.133 -4.398 1.00 0.00 O ATOM 1752 CB PHE A 117 13.859 -0.553 -1.430 1.00 0.00 C ATOM 1753 CG PHE A 117 14.200 -0.091 -0.029 1.00 0.00 C ATOM 1754 CD1 PHE A 117 14.702 -0.972 0.903 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.077 1.243 0.321 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.077 -0.533 2.163 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.444 1.683 1.570 1.00 0.00 C ATOM 1758 CZ PHE A 117 14.949 0.792 2.494 1.00 0.00 C ATOM 0 HA PHE A 117 15.776 -1.288 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.085 0.088 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.452 -1.564 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 117 14.805 -2.017 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.687 1.948 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 117 15.470 -1.234 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.337 2.726 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.243 1.136 3.475 1.00 0.00 H new ATOM 1768 N GLN A 118 15.511 -1.772 -4.296 1.00 0.00 N ATOM 1769 CA GLN A 118 15.532 -2.001 -5.720 1.00 0.00 C ATOM 1770 C GLN A 118 14.588 -3.096 -6.161 1.00 0.00 C ATOM 1771 O GLN A 118 14.033 -3.839 -5.333 1.00 0.00 O ATOM 1772 CB GLN A 118 16.960 -2.324 -6.159 1.00 0.00 C ATOM 1773 CG GLN A 118 17.516 -3.608 -5.560 1.00 0.00 C ATOM 1774 CD GLN A 118 18.981 -3.780 -5.840 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.827 -3.341 -5.060 1.00 0.00 O ATOM 1776 NE2 GLN A 118 19.303 -4.412 -6.928 1.00 0.00 N ATOM 0 H GLN A 118 16.084 -2.422 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 118 15.185 -1.086 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.986 -2.401 -7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.611 -1.494 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.352 -3.604 -4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.969 -4.461 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 118 18.574 -4.761 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 118 20.285 -4.559 -7.161 1.00 0.00 H new ATOM 1785 N HIS A 119 14.420 -3.182 -7.488 1.00 0.00 N ATOM 1786 CA HIS A 119 13.603 -4.183 -8.167 1.00 0.00 C ATOM 1787 C HIS A 119 12.122 -4.021 -7.763 1.00 0.00 C ATOM 1788 O HIS A 119 11.346 -4.967 -7.706 1.00 0.00 O ATOM 1789 CB HIS A 119 14.180 -5.601 -7.892 1.00 0.00 C ATOM 1790 CG HIS A 119 13.630 -6.719 -8.744 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.134 -7.059 -9.976 1.00 0.00 N ATOM 1792 CD2 HIS A 119 12.626 -7.597 -8.500 1.00 0.00 C ATOM 1793 CE1 HIS A 119 13.445 -8.102 -10.434 1.00 0.00 C ATOM 1794 NE2 HIS A 119 12.510 -8.471 -9.569 1.00 0.00 N ATOM 0 H HIS A 119 14.867 -2.532 -8.135 1.00 0.00 H new ATOM 0 HA HIS A 119 13.637 -4.039 -9.247 1.00 0.00 H new ATOM 0 HB2 HIS A 119 15.261 -5.564 -8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 119 14.001 -5.847 -6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 119 12.013 -7.613 -7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 119 13.624 -8.584 -11.384 1.00 0.00 H new ATOM 0 HE2 HIS A 119 11.845 -9.238 -9.670 1.00 0.00 H new ATOM 1802 N VAL A 120 11.744 -2.794 -7.501 1.00 0.00 N ATOM 1803 CA VAL A 120 10.368 -2.476 -7.212 1.00 0.00 C ATOM 1804 C VAL A 120 9.621 -2.311 -8.510 1.00 0.00 C ATOM 1805 O VAL A 120 10.221 -2.002 -9.539 1.00 0.00 O ATOM 1806 CB VAL A 120 10.219 -1.225 -6.314 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.812 -1.511 -4.938 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.899 -0.016 -6.951 1.00 0.00 C ATOM 0 H VAL A 120 12.376 -1.994 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 120 9.939 -3.301 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 120 9.160 -0.993 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.707 -0.629 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.285 -2.349 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.868 -1.759 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.781 0.852 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.960 -0.225 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.442 0.190 -7.919 1.00 0.00 H new ATOM 1818 N ASP A 121 8.343 -2.528 -8.475 1.00 0.00 N ATOM 1819 CA ASP A 121 7.540 -2.518 -9.702 1.00 0.00 C ATOM 1820 C ASP A 121 7.353 -1.097 -10.202 1.00 0.00 C ATOM 1821 O ASP A 121 7.483 -0.819 -11.394 1.00 0.00 O ATOM 1822 CB ASP A 121 6.183 -3.192 -9.464 1.00 0.00 C ATOM 1823 CG ASP A 121 5.353 -3.350 -10.722 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.479 -4.387 -11.403 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.532 -2.472 -11.029 1.00 0.00 O ATOM 0 H ASP A 121 7.816 -2.716 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 121 8.072 -3.084 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.348 -4.175 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.619 -2.607 -8.738 1.00 0.00 H new ATOM 1830 N LYS A 122 7.112 -0.196 -9.275 1.00 0.00 N ATOM 1831 CA LYS A 122 6.884 1.226 -9.570 1.00 0.00 C ATOM 1832 C LYS A 122 7.353 2.065 -8.402 1.00 0.00 C ATOM 1833 O LYS A 122 7.598 1.538 -7.314 1.00 0.00 O ATOM 1834 CB LYS A 122 5.388 1.546 -9.851 1.00 0.00 C ATOM 1835 CG LYS A 122 4.819 0.963 -11.133 1.00 0.00 C ATOM 1836 CD LYS A 122 3.336 1.263 -11.258 1.00 0.00 C ATOM 1837 CE LYS A 122 2.758 0.687 -12.535 1.00 0.00 C ATOM 1838 NZ LYS A 122 1.294 0.851 -12.603 1.00 0.00 N ATOM 0 H LYS A 122 7.066 -0.419 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 122 7.449 1.462 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.794 1.182 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.267 2.629 -9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.350 1.375 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.978 -0.115 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.807 0.850 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.179 2.342 -11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.218 1.176 -13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.007 -0.372 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.940 0.443 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.852 0.363 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.056 1.863 -12.567 1.00 0.00 H new ATOM 1852 N TYR A 123 7.538 3.332 -8.631 1.00 0.00 N ATOM 1853 CA TYR A 123 7.858 4.253 -7.575 1.00 0.00 C ATOM 1854 C TYR A 123 6.793 5.332 -7.589 1.00 0.00 C ATOM 1855 O TYR A 123 6.342 5.769 -8.667 1.00 0.00 O ATOM 1856 CB TYR A 123 9.282 4.844 -7.733 1.00 0.00 C ATOM 1857 CG TYR A 123 9.392 6.006 -8.671 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.391 5.834 -10.039 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.476 7.287 -8.166 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.469 6.913 -10.882 1.00 0.00 C ATOM 1861 CE2 TYR A 123 9.558 8.365 -8.988 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.550 8.183 -10.355 1.00 0.00 C ATOM 1863 OH TYR A 123 9.622 9.276 -11.198 1.00 0.00 O ATOM 0 H TYR A 123 7.472 3.758 -9.555 1.00 0.00 H new ATOM 0 HA TYR A 123 7.865 3.739 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.639 5.155 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.949 4.054 -8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.328 4.838 -10.452 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.477 7.436 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.467 6.768 -11.952 1.00 0.00 H new ATOM 0 HE2 TYR A 123 9.629 9.360 -8.573 1.00 0.00 H new ATOM 0 HH TYR A 123 9.673 10.097 -10.665 1.00 0.00 H new ATOM 1873 N VAL A 124 6.340 5.704 -6.443 1.00 0.00 N ATOM 1874 CA VAL A 124 5.315 6.721 -6.312 1.00 0.00 C ATOM 1875 C VAL A 124 5.701 7.639 -5.193 1.00 0.00 C ATOM 1876 O VAL A 124 6.635 7.346 -4.471 1.00 0.00 O ATOM 1877 CB VAL A 124 3.898 6.129 -6.025 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.386 5.307 -7.201 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.907 5.286 -4.759 1.00 0.00 C ATOM 0 H VAL A 124 6.662 5.319 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 124 5.250 7.250 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 124 3.220 6.970 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.398 4.911 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.322 5.939 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.071 4.481 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.909 4.885 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.613 4.463 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.206 5.904 -3.912 1.00 0.00 H new ATOM 1889 N LEU A 125 4.990 8.720 -5.035 1.00 0.00 N ATOM 1890 CA LEU A 125 5.289 9.678 -3.983 1.00 0.00 C ATOM 1891 C LEU A 125 4.708 9.196 -2.660 1.00 0.00 C ATOM 1892 O LEU A 125 4.065 8.138 -2.603 1.00 0.00 O ATOM 1893 CB LEU A 125 4.683 11.045 -4.328 1.00 0.00 C ATOM 1894 CG LEU A 125 5.137 11.687 -5.640 1.00 0.00 C ATOM 1895 CD1 LEU A 125 4.387 12.990 -5.871 1.00 0.00 C ATOM 1896 CD2 LEU A 125 6.640 11.936 -5.626 1.00 0.00 C ATOM 0 H LEU A 125 4.193 8.970 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 125 6.371 9.771 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.599 10.938 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.913 11.734 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 125 4.912 11.001 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.718 13.439 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.317 12.790 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.588 13.676 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.942 12.393 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.890 12.604 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.164 10.989 -5.498 1.00 0.00 H new