USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=21 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= -1.72! C(o=-3.6!,f=-11!) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.84! C(o=-3.6!,f=-12!) USER MOD Single : A 4 ASN : amide:sc= 0.214 K(o=0.21,f=-0.95!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -18:sc= 1.25 USER MOD Single : A 10 THR OG1 : rot -26:sc= 0.487 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.3 F(o=-1.8,f=-0.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 42:sc= -0.0259 USER MOD Single : A 34 SER OG : rot -9:sc= 0.249 USER MOD Single : A 37 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.329 F(o=-2.6,f=-0.33) USER MOD Single : A 47 MET CE :methyl -164:sc= -0.047 (180deg=-0.379) USER MOD Single : A 53 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.04) USER MOD Single : A 54 TYR OH : rot -15:sc= -1.4 USER MOD Single : A 60 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 3.22 (180deg=3.01) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 43:sc= 0.261 USER MOD Single : A 79 GLN : amide:sc= -5.71! C(o=-5.7!,f=-8.5!) USER MOD Single : A 81 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-6.3!) USER MOD Single : A 83 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0103 F(o=-1,f=-0.01) USER MOD Single : A 88 TYR OH : rot 71:sc= -0.21 USER MOD Single : A 91 THR OG1 : rot 67:sc= 0.451 USER MOD Single : A 99 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.026) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.16) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS :FLIP no HD1:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 157:sc= -1.12 (180deg=-2.43!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -7.618 8.921 -7.352 1.00 0.00 N ATOM 43 CA ASN A 4 -8.924 8.759 -6.767 1.00 0.00 C ATOM 44 C ASN A 4 -8.739 8.098 -5.420 1.00 0.00 C ATOM 45 O ASN A 4 -9.615 7.416 -4.906 1.00 0.00 O ATOM 46 CB ASN A 4 -9.845 7.922 -7.713 1.00 0.00 C ATOM 47 CG ASN A 4 -9.327 6.519 -8.020 1.00 0.00 C ATOM 48 OD1 ASN A 4 -8.120 6.261 -8.049 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.227 5.614 -8.305 1.00 0.00 N ATOM 0 HA ASN A 4 -9.417 9.722 -6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.833 7.840 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.969 8.463 -8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.938 4.669 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.218 5.853 -8.274 1.00 0.00 H new ATOM 56 N LYS A 5 -7.568 8.387 -4.852 1.00 0.00 N ATOM 57 CA LYS A 5 -7.089 7.889 -3.553 1.00 0.00 C ATOM 58 C LYS A 5 -8.117 7.994 -2.413 1.00 0.00 C ATOM 59 O LYS A 5 -8.256 9.036 -1.771 1.00 0.00 O ATOM 60 CB LYS A 5 -5.793 8.624 -3.123 1.00 0.00 C ATOM 61 CG LYS A 5 -5.885 10.157 -3.241 1.00 0.00 C ATOM 62 CD LYS A 5 -4.872 10.901 -2.368 1.00 0.00 C ATOM 63 CE LYS A 5 -5.227 10.804 -0.874 1.00 0.00 C ATOM 64 NZ LYS A 5 -4.382 11.688 -0.033 1.00 0.00 N ATOM 0 H LYS A 5 -6.892 9.004 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.899 6.828 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.561 8.361 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.964 8.270 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.734 10.443 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.891 10.474 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.877 10.488 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.835 11.949 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.275 11.068 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.111 9.772 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.659 11.587 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.383 11.421 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.511 12.676 -0.330 1.00 0.00 H new ATOM 78 N VAL A 6 -8.861 6.951 -2.199 1.00 0.00 N ATOM 79 CA VAL A 6 -9.739 6.910 -1.060 1.00 0.00 C ATOM 80 C VAL A 6 -9.069 6.321 0.154 1.00 0.00 C ATOM 81 O VAL A 6 -8.664 5.168 0.160 1.00 0.00 O ATOM 82 CB VAL A 6 -11.104 6.222 -1.322 1.00 0.00 C ATOM 83 CG1 VAL A 6 -12.018 7.157 -2.078 1.00 0.00 C ATOM 84 CG2 VAL A 6 -10.936 4.912 -2.094 1.00 0.00 C ATOM 0 H VAL A 6 -8.881 6.121 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.966 7.957 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.549 5.984 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.974 6.665 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.180 8.061 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.561 7.420 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.914 4.459 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.463 5.114 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.311 4.228 -1.519 1.00 0.00 H new ATOM 94 N CYS A 7 -8.923 7.147 1.139 1.00 0.00 N ATOM 95 CA CYS A 7 -8.442 6.786 2.442 1.00 0.00 C ATOM 96 C CYS A 7 -9.690 6.454 3.239 1.00 0.00 C ATOM 97 O CYS A 7 -10.777 6.678 2.705 1.00 0.00 O ATOM 98 CB CYS A 7 -7.653 7.952 3.032 1.00 0.00 C ATOM 99 SG CYS A 7 -6.256 8.442 1.983 1.00 0.00 S ATOM 0 H CYS A 7 -9.145 8.139 1.057 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.759 5.937 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.318 8.805 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.283 7.675 4.019 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.974 7.478 1.158 1.00 0.00 H new ATOM 105 N GLY A 8 -9.547 5.884 4.456 1.00 0.00 N ATOM 106 CA GLY A 8 -10.670 5.356 5.239 1.00 0.00 C ATOM 107 C GLY A 8 -11.989 6.046 5.037 1.00 0.00 C ATOM 108 O GLY A 8 -12.152 7.251 5.311 1.00 0.00 O ATOM 0 H GLY A 8 -8.644 5.780 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.793 4.300 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.410 5.412 6.296 1.00 0.00 H new ATOM 112 N LEU A 9 -12.899 5.292 4.531 1.00 0.00 N ATOM 113 CA LEU A 9 -14.188 5.742 4.213 1.00 0.00 C ATOM 114 C LEU A 9 -15.073 4.562 4.496 1.00 0.00 C ATOM 115 O LEU A 9 -14.627 3.426 4.335 1.00 0.00 O ATOM 116 CB LEU A 9 -14.222 6.105 2.730 1.00 0.00 C ATOM 117 CG LEU A 9 -15.372 6.974 2.262 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.290 8.340 2.922 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.320 7.118 0.758 1.00 0.00 C ATOM 0 H LEU A 9 -12.749 4.305 4.322 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.500 6.622 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.290 6.614 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.241 5.179 2.155 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.315 6.505 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.120 8.959 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.344 8.225 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.347 8.817 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.148 7.743 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.376 7.581 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.398 6.134 0.295 1.00 0.00 H new ATOM 131 N THR A 10 -16.280 4.778 4.907 1.00 0.00 N ATOM 132 CA THR A 10 -17.087 3.654 5.295 1.00 0.00 C ATOM 133 C THR A 10 -18.390 3.640 4.548 1.00 0.00 C ATOM 134 O THR A 10 -19.160 2.684 4.632 1.00 0.00 O ATOM 135 CB THR A 10 -17.316 3.597 6.841 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.017 2.399 7.203 1.00 0.00 O ATOM 137 CG2 THR A 10 -18.105 4.798 7.342 1.00 0.00 C ATOM 0 H THR A 10 -16.725 5.693 4.984 1.00 0.00 H new ATOM 0 HA THR A 10 -16.534 2.754 5.025 1.00 0.00 H new ATOM 0 HB THR A 10 -16.331 3.608 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.558 2.095 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.242 4.719 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.560 5.713 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.079 4.823 6.854 1.00 0.00 H new ATOM 145 N ARG A 11 -18.635 4.680 3.802 1.00 0.00 N ATOM 146 CA ARG A 11 -19.838 4.756 3.051 1.00 0.00 C ATOM 147 C ARG A 11 -19.572 4.275 1.654 1.00 0.00 C ATOM 148 O ARG A 11 -18.810 4.897 0.922 1.00 0.00 O ATOM 149 CB ARG A 11 -20.390 6.176 3.026 1.00 0.00 C ATOM 150 CG ARG A 11 -20.715 6.747 4.392 1.00 0.00 C ATOM 151 CD ARG A 11 -21.286 8.144 4.269 1.00 0.00 C ATOM 152 NE ARG A 11 -20.360 9.060 3.583 1.00 0.00 N ATOM 153 CZ ARG A 11 -20.626 10.335 3.280 1.00 0.00 C ATOM 154 NH1 ARG A 11 -21.799 10.879 3.603 1.00 0.00 N ATOM 155 NH2 ARG A 11 -19.729 11.046 2.630 1.00 0.00 N ATOM 0 H ARG A 11 -18.013 5.482 3.703 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.588 4.123 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.664 6.826 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.293 6.191 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.430 6.100 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.814 6.770 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.228 8.104 3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.511 8.533 5.262 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.445 8.694 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.504 10.322 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -21.992 11.852 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.840 10.624 2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.923 12.019 2.394 1.00 0.00 H new ATOM 169 N GLY A 12 -20.185 3.172 1.289 1.00 0.00 N ATOM 170 CA GLY A 12 -20.022 2.588 -0.030 1.00 0.00 C ATOM 171 C GLY A 12 -20.445 3.531 -1.121 1.00 0.00 C ATOM 172 O GLY A 12 -19.839 3.577 -2.175 1.00 0.00 O ATOM 0 H GLY A 12 -20.814 2.650 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.978 2.309 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.609 1.672 -0.096 1.00 0.00 H new ATOM 176 N GLN A 13 -21.415 4.376 -0.792 1.00 0.00 N ATOM 177 CA GLN A 13 -22.031 5.305 -1.738 1.00 0.00 C ATOM 178 C GLN A 13 -21.004 6.329 -2.119 1.00 0.00 C ATOM 179 O GLN A 13 -20.955 6.839 -3.232 1.00 0.00 O ATOM 180 CB GLN A 13 -23.189 6.085 -1.081 1.00 0.00 C ATOM 181 CG GLN A 13 -23.928 5.396 0.061 1.00 0.00 C ATOM 182 CD GLN A 13 -24.438 4.019 -0.254 1.00 0.00 C ATOM 183 OE1 GLN A 13 -23.696 3.039 0.170 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -25.537 3.848 -0.779 1.00 0.00 N flip ATOM 0 H GLN A 13 -21.802 4.438 0.150 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.400 4.731 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.792 7.029 -0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.916 6.329 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -23.260 5.332 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.771 6.020 0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.081 4.650 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.904 2.904 -0.898 1.00 0.00 H new ATOM 193 N ASP A 14 -20.155 6.560 -1.170 1.00 0.00 N ATOM 194 CA ASP A 14 -19.172 7.589 -1.199 1.00 0.00 C ATOM 195 C ASP A 14 -17.892 7.025 -1.788 1.00 0.00 C ATOM 196 O ASP A 14 -17.160 7.702 -2.504 1.00 0.00 O ATOM 197 CB ASP A 14 -18.969 8.061 0.244 1.00 0.00 C ATOM 198 CG ASP A 14 -18.217 9.386 0.357 1.00 0.00 C ATOM 199 OD1 ASP A 14 -18.164 10.152 -0.637 1.00 0.00 O ATOM 200 OD2 ASP A 14 -17.740 9.715 1.462 1.00 0.00 O ATOM 0 H ASP A 14 -20.129 6.008 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.478 8.434 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.942 8.164 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.422 7.295 0.794 1.00 0.00 H new ATOM 205 N ALA A 15 -17.658 5.752 -1.509 1.00 0.00 N ATOM 206 CA ALA A 15 -16.513 5.026 -2.035 1.00 0.00 C ATOM 207 C ALA A 15 -16.639 4.862 -3.546 1.00 0.00 C ATOM 208 O ALA A 15 -15.638 4.921 -4.284 1.00 0.00 O ATOM 209 CB ALA A 15 -16.402 3.665 -1.362 1.00 0.00 C ATOM 0 H ALA A 15 -18.261 5.190 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.608 5.596 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.541 3.130 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.277 3.800 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.308 3.090 -1.553 1.00 0.00 H new ATOM 215 N LYS A 16 -17.885 4.695 -4.013 1.00 0.00 N ATOM 216 CA LYS A 16 -18.160 4.545 -5.436 1.00 0.00 C ATOM 217 C LYS A 16 -17.682 5.738 -6.235 1.00 0.00 C ATOM 218 O LYS A 16 -17.368 5.589 -7.381 1.00 0.00 O ATOM 219 CB LYS A 16 -19.640 4.290 -5.744 1.00 0.00 C ATOM 220 CG LYS A 16 -20.202 3.013 -5.147 1.00 0.00 C ATOM 221 CD LYS A 16 -21.553 2.646 -5.759 1.00 0.00 C ATOM 222 CE LYS A 16 -22.606 3.717 -5.531 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.914 3.344 -6.124 1.00 0.00 N ATOM 0 H LYS A 16 -18.714 4.661 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.598 3.661 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.224 5.134 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.772 4.258 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.497 2.197 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.312 3.134 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.431 2.484 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.898 1.705 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.727 3.884 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.266 4.658 -5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -24.604 4.101 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.804 3.209 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -24.251 2.460 -5.693 1.00 0.00 H new ATOM 237 N ALA A 17 -17.586 6.907 -5.602 1.00 0.00 N ATOM 238 CA ALA A 17 -17.144 8.130 -6.279 1.00 0.00 C ATOM 239 C ALA A 17 -15.730 7.976 -6.842 1.00 0.00 C ATOM 240 O ALA A 17 -15.418 8.483 -7.924 1.00 0.00 O ATOM 241 CB ALA A 17 -17.201 9.310 -5.332 1.00 0.00 C ATOM 0 H ALA A 17 -17.810 7.035 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.822 8.310 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.870 10.209 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.225 9.448 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.550 9.123 -4.478 1.00 0.00 H new ATOM 247 N ALA A 18 -14.893 7.244 -6.127 1.00 0.00 N ATOM 248 CA ALA A 18 -13.533 7.011 -6.551 1.00 0.00 C ATOM 249 C ALA A 18 -13.521 6.052 -7.722 1.00 0.00 C ATOM 250 O ALA A 18 -12.823 6.251 -8.714 1.00 0.00 O ATOM 251 CB ALA A 18 -12.735 6.452 -5.410 1.00 0.00 C ATOM 0 H ALA A 18 -15.140 6.799 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.084 7.954 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.709 6.278 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.738 7.161 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.177 5.511 -5.083 1.00 0.00 H new ATOM 257 N TYR A 19 -14.308 5.018 -7.613 1.00 0.00 N ATOM 258 CA TYR A 19 -14.457 4.049 -8.672 1.00 0.00 C ATOM 259 C TYR A 19 -15.129 4.698 -9.892 1.00 0.00 C ATOM 260 O TYR A 19 -14.826 4.378 -11.030 1.00 0.00 O ATOM 261 CB TYR A 19 -15.213 2.814 -8.135 1.00 0.00 C ATOM 262 CG TYR A 19 -16.288 2.273 -9.036 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.965 1.475 -10.113 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.623 2.593 -8.827 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.936 1.004 -10.963 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.600 2.136 -9.675 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.253 1.340 -10.740 1.00 0.00 C ATOM 268 OH TYR A 19 -19.222 0.906 -11.605 1.00 0.00 O ATOM 0 H TYR A 19 -14.869 4.819 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.482 3.701 -9.012 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.490 2.021 -7.944 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.662 3.073 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.932 1.216 -10.291 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.896 3.211 -7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.669 0.375 -11.799 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.634 2.400 -9.507 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.097 1.229 -11.304 1.00 0.00 H new ATOM 278 N ASP A 20 -15.975 5.636 -9.628 1.00 0.00 N ATOM 279 CA ASP A 20 -16.678 6.401 -10.662 1.00 0.00 C ATOM 280 C ASP A 20 -15.692 7.259 -11.448 1.00 0.00 C ATOM 281 O ASP A 20 -15.870 7.503 -12.636 1.00 0.00 O ATOM 282 CB ASP A 20 -17.760 7.276 -10.020 1.00 0.00 C ATOM 283 CG ASP A 20 -18.488 8.162 -10.995 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.497 7.734 -11.571 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.086 9.321 -11.166 1.00 0.00 O ATOM 0 H ASP A 20 -16.218 5.915 -8.677 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.155 5.706 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.483 6.633 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.301 7.898 -9.252 1.00 0.00 H new ATOM 290 N ALA A 21 -14.619 7.668 -10.778 1.00 0.00 N ATOM 291 CA ALA A 21 -13.586 8.482 -11.397 1.00 0.00 C ATOM 292 C ALA A 21 -12.788 7.682 -12.429 1.00 0.00 C ATOM 293 O ALA A 21 -12.189 8.260 -13.332 1.00 0.00 O ATOM 294 CB ALA A 21 -12.664 9.073 -10.344 1.00 0.00 C ATOM 0 H ALA A 21 -14.444 7.445 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.079 9.301 -11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.898 9.678 -10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.242 9.697 -9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.189 8.268 -9.783 1.00 0.00 H new ATOM 300 N GLY A 22 -12.772 6.358 -12.302 1.00 0.00 N ATOM 301 CA GLY A 22 -12.105 5.564 -13.310 1.00 0.00 C ATOM 302 C GLY A 22 -11.868 4.132 -12.903 1.00 0.00 C ATOM 303 O GLY A 22 -11.349 3.356 -13.688 1.00 0.00 O ATOM 0 H GLY A 22 -13.199 5.834 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.701 5.578 -14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.147 6.027 -13.548 1.00 0.00 H new ATOM 307 N ALA A 23 -12.243 3.787 -11.652 1.00 0.00 N ATOM 308 CA ALA A 23 -12.048 2.435 -11.083 1.00 0.00 C ATOM 309 C ALA A 23 -10.571 2.103 -11.010 1.00 0.00 C ATOM 310 O ALA A 23 -10.183 0.943 -10.876 1.00 0.00 O ATOM 311 CB ALA A 23 -12.815 1.376 -11.886 1.00 0.00 C ATOM 0 H ALA A 23 -12.690 4.439 -11.007 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.452 2.430 -10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.651 0.394 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.880 1.608 -11.870 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.460 1.373 -12.916 1.00 0.00 H new ATOM 317 N ILE A 24 -9.771 3.157 -11.023 1.00 0.00 N ATOM 318 CA ILE A 24 -8.338 3.057 -11.084 1.00 0.00 C ATOM 319 C ILE A 24 -7.784 2.354 -9.875 1.00 0.00 C ATOM 320 O ILE A 24 -7.319 1.234 -9.988 1.00 0.00 O ATOM 321 CB ILE A 24 -7.689 4.445 -11.238 1.00 0.00 C ATOM 322 CG1 ILE A 24 -8.372 5.202 -12.393 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.188 4.284 -11.519 1.00 0.00 C ATOM 324 CD1 ILE A 24 -7.855 6.602 -12.600 1.00 0.00 C ATOM 0 H ILE A 24 -10.113 4.117 -10.991 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.094 2.463 -11.965 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.814 5.014 -10.317 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.237 4.636 -13.315 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.444 5.246 -12.201 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.731 5.267 -11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.717 3.755 -10.691 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.049 3.716 -12.439 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.386 7.067 -13.431 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.015 7.187 -11.694 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.789 6.567 -12.825 1.00 0.00 H new ATOM 336 N TYR A 25 -7.886 2.982 -8.730 1.00 0.00 N ATOM 337 CA TYR A 25 -7.405 2.402 -7.494 1.00 0.00 C ATOM 338 C TYR A 25 -7.998 3.142 -6.287 1.00 0.00 C ATOM 339 O TYR A 25 -8.842 3.993 -6.449 1.00 0.00 O ATOM 340 CB TYR A 25 -5.859 2.390 -7.472 1.00 0.00 C ATOM 341 CG TYR A 25 -5.265 3.670 -7.098 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.240 4.717 -7.965 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.787 3.839 -5.842 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.737 5.908 -7.591 1.00 0.00 C ATOM 345 CE2 TYR A 25 -4.292 5.010 -5.438 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.259 6.069 -6.315 1.00 0.00 C ATOM 347 OH TYR A 25 -3.758 7.289 -5.913 1.00 0.00 O ATOM 0 H TYR A 25 -8.303 3.907 -8.625 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.738 1.366 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.521 1.625 -6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.493 2.105 -8.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.628 4.592 -8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.807 3.008 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.710 6.731 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.920 5.126 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.463 7.230 -4.980 1.00 0.00 H new ATOM 357 N GLY A 26 -7.606 2.750 -5.113 1.00 0.00 N ATOM 358 CA GLY A 26 -7.976 3.423 -3.906 1.00 0.00 C ATOM 359 C GLY A 26 -6.773 3.440 -3.014 1.00 0.00 C ATOM 360 O GLY A 26 -6.050 2.448 -2.963 1.00 0.00 O ATOM 0 H GLY A 26 -7.008 1.937 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.309 4.439 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.806 2.911 -3.420 1.00 0.00 H new ATOM 364 N GLY A 27 -6.549 4.526 -2.317 1.00 0.00 N ATOM 365 CA GLY A 27 -5.324 4.672 -1.571 1.00 0.00 C ATOM 366 C GLY A 27 -5.573 4.771 -0.108 1.00 0.00 C ATOM 367 O GLY A 27 -5.705 5.877 0.436 1.00 0.00 O ATOM 0 H GLY A 27 -7.192 5.315 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.673 3.821 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.796 5.563 -1.910 1.00 0.00 H new ATOM 371 N LEU A 28 -5.628 3.640 0.529 1.00 0.00 N ATOM 372 CA LEU A 28 -5.889 3.557 1.919 1.00 0.00 C ATOM 373 C LEU A 28 -4.815 2.765 2.597 1.00 0.00 C ATOM 374 O LEU A 28 -4.129 1.965 1.968 1.00 0.00 O ATOM 375 CB LEU A 28 -7.339 3.028 2.264 1.00 0.00 C ATOM 376 CG LEU A 28 -7.904 1.717 1.595 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.111 1.868 0.099 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.058 0.481 1.901 1.00 0.00 C ATOM 0 H LEU A 28 -5.489 2.735 0.080 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.870 4.574 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.376 2.878 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.037 3.832 2.030 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.882 1.562 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.501 0.936 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.821 2.673 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.160 2.104 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.497 -0.390 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.045 0.633 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.029 0.318 2.978 1.00 0.00 H new ATOM 390 N ILE A 29 -4.638 3.012 3.846 1.00 0.00 N ATOM 391 CA ILE A 29 -3.648 2.291 4.603 1.00 0.00 C ATOM 392 C ILE A 29 -4.199 1.475 5.692 1.00 0.00 C ATOM 393 O ILE A 29 -5.263 1.778 6.237 1.00 0.00 O ATOM 394 CB ILE A 29 -2.483 3.129 5.100 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.926 4.511 5.610 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.468 3.202 4.028 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.800 5.354 6.186 1.00 0.00 C ATOM 0 H ILE A 29 -5.162 3.708 4.377 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.242 1.609 3.857 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.037 2.650 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.390 5.057 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.691 4.375 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.623 3.801 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.125 2.197 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.906 3.662 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.198 6.312 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.350 4.832 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.044 5.524 5.419 1.00 0.00 H new ATOM 409 N PHE A 30 -3.442 0.467 6.041 1.00 0.00 N ATOM 410 CA PHE A 30 -3.867 -0.507 7.037 1.00 0.00 C ATOM 411 C PHE A 30 -3.626 0.027 8.429 1.00 0.00 C ATOM 412 O PHE A 30 -2.585 -0.255 9.037 1.00 0.00 O ATOM 413 CB PHE A 30 -3.120 -1.852 6.908 1.00 0.00 C ATOM 414 CG PHE A 30 -3.096 -2.454 5.541 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.111 -3.300 5.097 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.039 -2.182 4.696 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.050 -3.851 3.821 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.976 -2.725 3.447 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.973 -3.554 3.001 1.00 0.00 C ATOM 0 H PHE A 30 -2.516 0.291 5.650 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.929 -0.679 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.092 -1.708 7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.578 -2.567 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.945 -3.528 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.248 -1.527 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.836 -4.505 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.136 -2.501 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.919 -3.976 2.009 1.00 0.00 H new ATOM 429 N VAL A 31 -4.515 0.845 8.908 1.00 0.00 N ATOM 430 CA VAL A 31 -4.412 1.317 10.253 1.00 0.00 C ATOM 431 C VAL A 31 -5.002 0.259 11.177 1.00 0.00 C ATOM 432 O VAL A 31 -5.823 -0.548 10.746 1.00 0.00 O ATOM 433 CB VAL A 31 -5.204 2.623 10.441 1.00 0.00 C ATOM 434 CG1 VAL A 31 -6.681 2.376 10.280 1.00 0.00 C ATOM 435 CG2 VAL A 31 -4.857 3.295 11.765 1.00 0.00 C ATOM 0 H VAL A 31 -5.318 1.198 8.387 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.363 1.507 10.482 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.912 3.323 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.223 3.312 10.417 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.878 1.985 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.012 1.653 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.433 4.215 11.868 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.097 2.622 12.588 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.793 3.529 11.786 1.00 0.00 H new ATOM 445 N ALA A 32 -4.559 0.202 12.398 1.00 0.00 N ATOM 446 CA ALA A 32 -5.231 -0.625 13.330 1.00 0.00 C ATOM 447 C ALA A 32 -6.457 0.142 13.805 1.00 0.00 C ATOM 448 O ALA A 32 -6.398 0.936 14.750 1.00 0.00 O ATOM 449 CB ALA A 32 -4.323 -0.996 14.496 1.00 0.00 C ATOM 0 H ALA A 32 -3.751 0.710 12.758 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.526 -1.565 12.864 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.868 -1.631 15.194 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.451 -1.533 14.122 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.999 -0.090 15.008 1.00 0.00 H new ATOM 455 N THR A 33 -7.537 -0.050 13.081 1.00 0.00 N ATOM 456 CA THR A 33 -8.847 0.522 13.353 1.00 0.00 C ATOM 457 C THR A 33 -8.904 2.075 13.558 1.00 0.00 C ATOM 458 O THR A 33 -8.966 2.567 14.691 1.00 0.00 O ATOM 459 CB THR A 33 -9.580 -0.243 14.488 1.00 0.00 C ATOM 460 OG1 THR A 33 -8.757 -0.284 15.675 1.00 0.00 O ATOM 461 CG2 THR A 33 -9.855 -1.667 14.046 1.00 0.00 C ATOM 0 H THR A 33 -7.531 -0.636 12.246 1.00 0.00 H new ATOM 0 HA THR A 33 -9.389 0.377 12.419 1.00 0.00 H new ATOM 0 HB THR A 33 -10.515 0.273 14.707 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.335 0.590 15.811 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.370 -2.203 14.844 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.481 -1.657 13.154 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.913 -2.167 13.822 1.00 0.00 H new ATOM 469 N SER A 34 -8.750 2.828 12.471 1.00 0.00 N ATOM 470 CA SER A 34 -9.029 4.257 12.458 1.00 0.00 C ATOM 471 C SER A 34 -9.698 4.595 11.152 1.00 0.00 C ATOM 472 O SER A 34 -9.122 4.379 10.112 1.00 0.00 O ATOM 473 CB SER A 34 -7.773 5.090 12.691 1.00 0.00 C ATOM 474 OG SER A 34 -7.109 4.685 13.892 1.00 0.00 O ATOM 0 H SER A 34 -8.428 2.462 11.575 1.00 0.00 H new ATOM 0 HA SER A 34 -9.697 4.504 13.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.097 4.982 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.038 6.145 12.755 1.00 0.00 H new ATOM 0 HG SER A 34 -7.679 4.060 14.386 1.00 0.00 H new ATOM 480 N PRO A 35 -10.918 5.174 11.202 1.00 0.00 N ATOM 481 CA PRO A 35 -11.786 5.378 10.023 1.00 0.00 C ATOM 482 C PRO A 35 -11.252 6.351 8.978 1.00 0.00 C ATOM 483 O PRO A 35 -11.951 6.680 8.050 1.00 0.00 O ATOM 484 CB PRO A 35 -13.089 5.910 10.619 1.00 0.00 C ATOM 485 CG PRO A 35 -12.678 6.546 11.892 1.00 0.00 C ATOM 486 CD PRO A 35 -11.558 5.706 12.425 1.00 0.00 C ATOM 0 HA PRO A 35 -11.880 4.443 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.567 6.628 9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.806 5.106 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.353 7.573 11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.509 6.583 12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.861 6.296 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.926 4.906 13.067 1.00 0.00 H new ATOM 494 N ARG A 36 -10.037 6.832 9.141 1.00 0.00 N ATOM 495 CA ARG A 36 -9.443 7.657 8.118 1.00 0.00 C ATOM 496 C ARG A 36 -8.468 6.831 7.297 1.00 0.00 C ATOM 497 O ARG A 36 -7.859 7.312 6.348 1.00 0.00 O ATOM 498 CB ARG A 36 -8.790 8.932 8.658 1.00 0.00 C ATOM 499 CG ARG A 36 -9.723 9.841 9.460 1.00 0.00 C ATOM 500 CD ARG A 36 -11.088 10.060 8.783 1.00 0.00 C ATOM 501 NE ARG A 36 -11.018 10.599 7.409 1.00 0.00 N ATOM 502 CZ ARG A 36 -12.024 11.270 6.805 1.00 0.00 C ATOM 503 NH1 ARG A 36 -13.153 11.523 7.471 1.00 0.00 N ATOM 504 NH2 ARG A 36 -11.903 11.661 5.530 1.00 0.00 N ATOM 0 H ARG A 36 -9.451 6.668 9.960 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.252 8.006 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.947 8.652 9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.385 9.499 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.880 9.408 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.239 10.807 9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.623 9.110 8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.677 10.742 9.396 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.156 10.456 6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.257 11.210 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.912 12.029 7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.050 11.453 5.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.664 12.167 5.077 1.00 0.00 H new ATOM 518 N CYS A 37 -8.333 5.569 7.656 1.00 0.00 N ATOM 519 CA CYS A 37 -7.589 4.628 6.898 1.00 0.00 C ATOM 520 C CYS A 37 -8.448 3.368 6.887 1.00 0.00 C ATOM 521 O CYS A 37 -9.415 3.308 7.634 1.00 0.00 O ATOM 522 CB CYS A 37 -6.243 4.392 7.558 1.00 0.00 C ATOM 523 SG CYS A 37 -5.240 5.886 7.793 1.00 0.00 S ATOM 0 H CYS A 37 -8.751 5.179 8.501 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.377 4.964 5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.407 3.925 8.529 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.677 3.682 6.954 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.116 5.569 8.365 1.00 0.00 H new ATOM 529 N VAL A 38 -8.166 2.412 6.064 1.00 0.00 N ATOM 530 CA VAL A 38 -8.997 1.245 6.027 1.00 0.00 C ATOM 531 C VAL A 38 -8.168 -0.008 6.037 1.00 0.00 C ATOM 532 O VAL A 38 -7.160 -0.114 5.346 1.00 0.00 O ATOM 533 CB VAL A 38 -10.042 1.303 4.838 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.220 -0.036 4.149 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.393 1.743 5.381 1.00 0.00 C ATOM 0 H VAL A 38 -7.379 2.410 5.415 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.595 1.223 6.938 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.654 2.010 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.947 0.063 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.265 -0.363 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.576 -0.772 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.116 1.785 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.733 1.030 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.299 2.730 5.834 1.00 0.00 H new ATOM 545 N ASN A 39 -8.610 -0.938 6.810 1.00 0.00 N ATOM 546 CA ASN A 39 -7.944 -2.193 6.969 1.00 0.00 C ATOM 547 C ASN A 39 -8.795 -3.282 6.452 1.00 0.00 C ATOM 548 O ASN A 39 -9.960 -3.044 6.129 1.00 0.00 O ATOM 549 CB ASN A 39 -7.469 -2.434 8.418 1.00 0.00 C ATOM 550 CG ASN A 39 -8.507 -2.143 9.469 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.628 -1.023 9.975 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.245 -3.119 9.824 1.00 0.00 N ATOM 0 H ASN A 39 -9.462 -0.850 7.363 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.030 -2.173 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.152 -3.472 8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.593 -1.814 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.957 -2.985 10.542 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.124 -4.034 9.390 1.00 0.00 H new ATOM 559 N VAL A 40 -8.225 -4.477 6.371 1.00 0.00 N ATOM 560 CA VAL A 40 -8.862 -5.669 5.785 1.00 0.00 C ATOM 561 C VAL A 40 -10.293 -5.890 6.261 1.00 0.00 C ATOM 562 O VAL A 40 -11.137 -6.321 5.485 1.00 0.00 O ATOM 563 CB VAL A 40 -7.983 -6.923 6.021 1.00 0.00 C ATOM 564 CG1 VAL A 40 -8.639 -8.198 5.542 1.00 0.00 C ATOM 565 CG2 VAL A 40 -6.682 -6.739 5.311 1.00 0.00 C ATOM 0 H VAL A 40 -7.283 -4.658 6.717 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.938 -5.489 4.713 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.835 -7.024 7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.977 -9.042 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.579 -8.346 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.835 -8.126 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.054 -7.616 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.865 -6.612 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.177 -5.855 5.701 1.00 0.00 H new ATOM 575 N GLU A 41 -10.560 -5.509 7.492 1.00 0.00 N ATOM 576 CA GLU A 41 -11.873 -5.623 8.077 1.00 0.00 C ATOM 577 C GLU A 41 -12.897 -4.851 7.249 1.00 0.00 C ATOM 578 O GLU A 41 -13.880 -5.403 6.758 1.00 0.00 O ATOM 579 CB GLU A 41 -11.845 -4.994 9.431 1.00 0.00 C ATOM 580 CG GLU A 41 -11.109 -5.722 10.523 1.00 0.00 C ATOM 581 CD GLU A 41 -11.039 -4.865 11.770 1.00 0.00 C ATOM 582 OE1 GLU A 41 -11.298 -3.636 11.670 1.00 0.00 O ATOM 583 OE2 GLU A 41 -10.680 -5.380 12.840 1.00 0.00 O ATOM 0 H GLU A 41 -9.862 -5.108 8.119 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.144 -6.678 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.403 -4.002 9.332 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.875 -4.853 9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.613 -6.662 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.102 -5.972 10.188 1.00 0.00 H new ATOM 590 N GLN A 42 -12.621 -3.580 7.070 1.00 0.00 N ATOM 591 CA GLN A 42 -13.530 -2.676 6.396 1.00 0.00 C ATOM 592 C GLN A 42 -13.382 -2.827 4.904 1.00 0.00 C ATOM 593 O GLN A 42 -14.359 -2.760 4.146 1.00 0.00 O ATOM 594 CB GLN A 42 -13.228 -1.235 6.795 1.00 0.00 C ATOM 595 CG GLN A 42 -13.200 -1.006 8.282 1.00 0.00 C ATOM 596 CD GLN A 42 -11.795 -0.752 8.751 1.00 0.00 C ATOM 597 OE1 GLN A 42 -10.995 -0.182 8.031 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.433 -1.278 9.866 1.00 0.00 N ATOM 0 H GLN A 42 -11.757 -3.140 7.388 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.552 -2.920 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.264 -0.947 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.978 -0.581 6.351 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.833 -0.156 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.610 -1.875 8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.120 -1.751 10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.459 -1.223 10.163 1.00 0.00 H new ATOM 607 N ALA A 43 -12.156 -3.075 4.491 1.00 0.00 N ATOM 608 CA ALA A 43 -11.826 -3.225 3.101 1.00 0.00 C ATOM 609 C ALA A 43 -12.538 -4.408 2.468 1.00 0.00 C ATOM 610 O ALA A 43 -12.838 -4.385 1.285 1.00 0.00 O ATOM 611 CB ALA A 43 -10.332 -3.327 2.898 1.00 0.00 C ATOM 0 H ALA A 43 -11.360 -3.178 5.120 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.178 -2.325 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.116 -3.440 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.851 -2.423 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.949 -4.192 3.440 1.00 0.00 H new ATOM 617 N GLN A 44 -12.850 -5.414 3.289 1.00 0.00 N ATOM 618 CA GLN A 44 -13.519 -6.632 2.840 1.00 0.00 C ATOM 619 C GLN A 44 -14.869 -6.273 2.223 1.00 0.00 C ATOM 620 O GLN A 44 -15.298 -6.854 1.233 1.00 0.00 O ATOM 621 CB GLN A 44 -13.775 -7.558 4.035 1.00 0.00 C ATOM 622 CG GLN A 44 -13.704 -9.041 3.705 1.00 0.00 C ATOM 623 CD GLN A 44 -12.314 -9.607 3.978 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.304 -8.769 3.911 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.153 -10.792 4.281 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.644 -5.404 4.288 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.884 -7.131 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.046 -7.336 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.759 -7.336 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.442 -9.583 4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.962 -9.195 2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.955 -11.421 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.218 -11.143 4.487 1.00 0.00 H new ATOM 634 N GLU A 45 -15.522 -5.304 2.827 1.00 0.00 N ATOM 635 CA GLU A 45 -16.816 -4.855 2.388 1.00 0.00 C ATOM 636 C GLU A 45 -16.689 -3.787 1.308 1.00 0.00 C ATOM 637 O GLU A 45 -17.336 -3.864 0.265 1.00 0.00 O ATOM 638 CB GLU A 45 -17.621 -4.329 3.573 1.00 0.00 C ATOM 639 CG GLU A 45 -17.855 -5.374 4.653 1.00 0.00 C ATOM 640 CD GLU A 45 -18.728 -4.881 5.770 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.939 -4.716 5.557 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.223 -4.695 6.909 1.00 0.00 O ATOM 0 H GLU A 45 -15.164 -4.805 3.641 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.344 -5.705 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.099 -3.477 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.584 -3.964 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.313 -6.256 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.894 -5.687 5.062 1.00 0.00 H new ATOM 649 N VAL A 46 -15.801 -2.824 1.534 1.00 0.00 N ATOM 650 CA VAL A 46 -15.662 -1.673 0.636 1.00 0.00 C ATOM 651 C VAL A 46 -15.150 -2.097 -0.768 1.00 0.00 C ATOM 652 O VAL A 46 -15.426 -1.428 -1.768 1.00 0.00 O ATOM 653 CB VAL A 46 -14.761 -0.552 1.263 1.00 0.00 C ATOM 654 CG1 VAL A 46 -13.289 -0.861 1.139 1.00 0.00 C ATOM 655 CG2 VAL A 46 -15.088 0.819 0.693 1.00 0.00 C ATOM 0 H VAL A 46 -15.164 -2.814 2.331 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.658 -1.250 0.503 1.00 0.00 H new ATOM 0 HB VAL A 46 -14.992 -0.530 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.709 -0.055 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.069 -1.796 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.024 -0.955 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.443 1.568 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.926 0.813 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -16.130 1.061 0.902 1.00 0.00 H new ATOM 665 N MET A 47 -14.453 -3.242 -0.847 1.00 0.00 N ATOM 666 CA MET A 47 -13.952 -3.759 -2.136 1.00 0.00 C ATOM 667 C MET A 47 -15.102 -4.203 -3.043 1.00 0.00 C ATOM 668 O MET A 47 -14.935 -4.349 -4.254 1.00 0.00 O ATOM 669 CB MET A 47 -12.938 -4.911 -1.949 1.00 0.00 C ATOM 670 CG MET A 47 -13.508 -6.177 -1.313 1.00 0.00 C ATOM 671 SD MET A 47 -12.267 -7.472 -1.059 1.00 0.00 S ATOM 672 CE MET A 47 -11.792 -7.838 -2.751 1.00 0.00 C ATOM 0 H MET A 47 -14.224 -3.825 -0.042 1.00 0.00 H new ATOM 0 HA MET A 47 -13.428 -2.934 -2.619 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.520 -5.168 -2.922 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.114 -4.553 -1.333 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.959 -5.922 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.305 -6.566 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.261 -8.789 -2.782 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.684 -7.900 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.142 -7.047 -3.126 1.00 0.00 H new ATOM 682 N ALA A 48 -16.261 -4.414 -2.450 1.00 0.00 N ATOM 683 CA ALA A 48 -17.434 -4.801 -3.194 1.00 0.00 C ATOM 684 C ALA A 48 -18.245 -3.565 -3.570 1.00 0.00 C ATOM 685 O ALA A 48 -19.004 -3.581 -4.532 1.00 0.00 O ATOM 686 CB ALA A 48 -18.276 -5.766 -2.380 1.00 0.00 C ATOM 0 H ALA A 48 -16.411 -4.322 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.124 -5.304 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.159 -6.051 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.690 -6.656 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.585 -5.285 -1.452 1.00 0.00 H new ATOM 692 N ALA A 49 -18.055 -2.495 -2.815 1.00 0.00 N ATOM 693 CA ALA A 49 -18.767 -1.250 -3.048 1.00 0.00 C ATOM 694 C ALA A 49 -18.189 -0.530 -4.254 1.00 0.00 C ATOM 695 O ALA A 49 -18.920 -0.074 -5.139 1.00 0.00 O ATOM 696 CB ALA A 49 -18.696 -0.359 -1.820 1.00 0.00 C ATOM 0 H ALA A 49 -17.407 -2.465 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.813 -1.482 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.234 0.569 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.149 -0.872 -0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.654 -0.134 -1.594 1.00 0.00 H new ATOM 702 N ALA A 50 -16.880 -0.447 -4.302 1.00 0.00 N ATOM 703 CA ALA A 50 -16.213 0.171 -5.365 1.00 0.00 C ATOM 704 C ALA A 50 -15.158 -0.794 -5.844 1.00 0.00 C ATOM 705 O ALA A 50 -14.150 -0.993 -5.172 1.00 0.00 O ATOM 706 CB ALA A 50 -15.604 1.482 -4.899 1.00 0.00 C ATOM 0 H ALA A 50 -16.262 -0.820 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.894 0.409 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.086 1.959 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.393 2.141 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.895 1.288 -4.094 1.00 0.00 H new ATOM 712 N PRO A 51 -15.398 -1.459 -6.984 1.00 0.00 N ATOM 713 CA PRO A 51 -14.484 -2.481 -7.543 1.00 0.00 C ATOM 714 C PRO A 51 -13.203 -1.881 -8.158 1.00 0.00 C ATOM 715 O PRO A 51 -12.738 -2.290 -9.222 1.00 0.00 O ATOM 716 CB PRO A 51 -15.353 -3.158 -8.606 1.00 0.00 C ATOM 717 CG PRO A 51 -16.293 -2.104 -9.051 1.00 0.00 C ATOM 718 CD PRO A 51 -16.610 -1.300 -7.825 1.00 0.00 C ATOM 0 HA PRO A 51 -14.106 -3.161 -6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.749 -3.526 -9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.886 -4.015 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.844 -1.480 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.196 -2.540 -9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.796 -0.254 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.501 -1.673 -7.320 1.00 0.00 H new ATOM 726 N LEU A 52 -12.621 -0.963 -7.445 1.00 0.00 N ATOM 727 CA LEU A 52 -11.403 -0.337 -7.830 1.00 0.00 C ATOM 728 C LEU A 52 -10.225 -1.145 -7.279 1.00 0.00 C ATOM 729 O LEU A 52 -10.422 -2.108 -6.531 1.00 0.00 O ATOM 730 CB LEU A 52 -11.412 1.156 -7.390 1.00 0.00 C ATOM 731 CG LEU A 52 -11.955 1.463 -5.974 1.00 0.00 C ATOM 732 CD1 LEU A 52 -10.959 1.156 -4.886 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.471 2.882 -5.857 1.00 0.00 C ATOM 0 H LEU A 52 -12.994 -0.624 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.293 -0.327 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.392 1.535 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.005 1.719 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.800 0.790 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.396 1.391 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.698 0.098 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.061 1.756 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.842 3.052 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.663 3.582 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.280 3.035 -6.571 1.00 0.00 H new ATOM 745 N GLN A 53 -9.039 -0.798 -7.677 1.00 0.00 N ATOM 746 CA GLN A 53 -7.862 -1.489 -7.290 1.00 0.00 C ATOM 747 C GLN A 53 -7.467 -1.097 -5.871 1.00 0.00 C ATOM 748 O GLN A 53 -7.553 0.060 -5.509 1.00 0.00 O ATOM 749 CB GLN A 53 -6.782 -1.040 -8.207 1.00 0.00 C ATOM 750 CG GLN A 53 -5.634 -1.912 -8.214 1.00 0.00 C ATOM 751 CD GLN A 53 -4.398 -1.252 -8.764 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.149 -1.270 -9.956 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.582 -0.716 -7.883 1.00 0.00 N ATOM 0 H GLN A 53 -8.866 -0.005 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.023 -2.566 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.181 -0.970 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.465 -0.038 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.436 -2.251 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.861 -2.798 -8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.826 -0.721 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.705 -0.296 -8.190 1.00 0.00 H new ATOM 762 N TYR A 54 -7.013 -2.022 -5.095 1.00 0.00 N ATOM 763 CA TYR A 54 -6.587 -1.704 -3.764 1.00 0.00 C ATOM 764 C TYR A 54 -5.086 -1.786 -3.628 1.00 0.00 C ATOM 765 O TYR A 54 -4.428 -2.691 -4.185 1.00 0.00 O ATOM 766 CB TYR A 54 -7.334 -2.533 -2.705 1.00 0.00 C ATOM 767 CG TYR A 54 -8.757 -2.057 -2.498 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.763 -2.353 -3.408 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.076 -1.262 -1.415 1.00 0.00 C ATOM 770 CE1 TYR A 54 -11.044 -1.873 -3.237 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.350 -0.767 -1.241 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.330 -1.076 -2.150 1.00 0.00 C ATOM 773 OH TYR A 54 -12.588 -0.549 -1.996 1.00 0.00 O ATOM 0 H TYR A 54 -6.925 -3.005 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.857 -0.665 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.344 -3.580 -3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.795 -2.480 -1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.538 -2.970 -4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.312 -1.024 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.817 -2.120 -3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.576 -0.138 -0.392 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.081 -0.627 -2.839 1.00 0.00 H new ATOM 783 N VAL A 55 -4.540 -0.823 -2.944 1.00 0.00 N ATOM 784 CA VAL A 55 -3.132 -0.738 -2.724 1.00 0.00 C ATOM 785 C VAL A 55 -2.900 -0.541 -1.245 1.00 0.00 C ATOM 786 O VAL A 55 -3.732 0.052 -0.562 1.00 0.00 O ATOM 787 CB VAL A 55 -2.477 0.419 -3.557 1.00 0.00 C ATOM 788 CG1 VAL A 55 -3.012 1.786 -3.156 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.973 0.395 -3.436 1.00 0.00 C ATOM 0 H VAL A 55 -5.072 -0.064 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.658 -1.660 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.748 0.246 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.531 2.556 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.089 1.818 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.800 1.965 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.548 1.208 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.690 0.517 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.593 -0.557 -3.806 1.00 0.00 H new ATOM 799 N GLY A 56 -1.833 -1.089 -0.757 1.00 0.00 N ATOM 800 CA GLY A 56 -1.535 -0.973 0.630 1.00 0.00 C ATOM 801 C GLY A 56 -0.171 -0.425 0.904 1.00 0.00 C ATOM 802 O GLY A 56 0.793 -0.837 0.306 1.00 0.00 O ATOM 0 H GLY A 56 -1.154 -1.621 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.278 -0.329 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.624 -1.954 1.096 1.00 0.00 H new ATOM 806 N VAL A 57 -0.096 0.508 1.798 1.00 0.00 N ATOM 807 CA VAL A 57 1.173 1.028 2.259 1.00 0.00 C ATOM 808 C VAL A 57 1.294 0.568 3.693 1.00 0.00 C ATOM 809 O VAL A 57 0.332 0.689 4.457 1.00 0.00 O ATOM 810 CB VAL A 57 1.248 2.586 2.201 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.631 3.098 2.585 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.824 3.122 0.840 1.00 0.00 C ATOM 0 H VAL A 57 -0.910 0.939 2.237 1.00 0.00 H new ATOM 0 HA VAL A 57 1.979 0.668 1.620 1.00 0.00 H new ATOM 0 HB VAL A 57 0.540 2.964 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.643 4.187 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.867 2.781 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.373 2.693 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.890 4.210 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.481 2.719 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.203 2.821 0.634 1.00 0.00 H new ATOM 822 N PHE A 58 2.410 0.004 4.058 1.00 0.00 N ATOM 823 CA PHE A 58 2.549 -0.543 5.379 1.00 0.00 C ATOM 824 C PHE A 58 4.015 -0.669 5.717 1.00 0.00 C ATOM 825 O PHE A 58 4.851 -0.828 4.820 1.00 0.00 O ATOM 826 CB PHE A 58 1.854 -1.938 5.399 1.00 0.00 C ATOM 827 CG PHE A 58 1.847 -2.672 6.718 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.147 -2.173 7.804 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.538 -3.866 6.863 1.00 0.00 C ATOM 830 CE1 PHE A 58 1.137 -2.849 9.009 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.530 -4.548 8.066 1.00 0.00 C ATOM 832 CZ PHE A 58 1.829 -4.037 9.142 1.00 0.00 C ATOM 0 H PHE A 58 3.234 -0.089 3.463 1.00 0.00 H new ATOM 0 HA PHE A 58 2.084 0.106 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.821 -1.808 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.342 -2.572 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.603 -1.245 7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.089 -4.268 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.587 -2.448 9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.070 -5.478 8.165 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.822 -4.565 10.084 1.00 0.00 H new ATOM 842 N ARG A 59 4.340 -0.580 6.977 1.00 0.00 N ATOM 843 CA ARG A 59 5.676 -0.847 7.407 1.00 0.00 C ATOM 844 C ARG A 59 5.724 -2.326 7.596 1.00 0.00 C ATOM 845 O ARG A 59 5.131 -2.848 8.516 1.00 0.00 O ATOM 846 CB ARG A 59 6.015 -0.125 8.716 1.00 0.00 C ATOM 847 CG ARG A 59 5.921 1.389 8.644 1.00 0.00 C ATOM 848 CD ARG A 59 6.397 2.021 9.937 1.00 0.00 C ATOM 849 NE ARG A 59 6.338 3.493 9.901 1.00 0.00 N ATOM 850 CZ ARG A 59 7.215 4.309 10.518 1.00 0.00 C ATOM 851 NH1 ARG A 59 8.249 3.796 11.193 1.00 0.00 N ATOM 852 NH2 ARG A 59 7.059 5.631 10.454 1.00 0.00 N ATOM 0 H ARG A 59 3.693 -0.324 7.723 1.00 0.00 H new ATOM 0 HA ARG A 59 6.405 -0.490 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.343 -0.481 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.026 -0.400 9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.522 1.756 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.890 1.685 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.786 1.656 10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.422 1.706 10.136 1.00 0.00 H new ATOM 0 HE ARG A 59 5.580 3.924 9.372 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.375 2.785 11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.912 4.416 11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.274 6.027 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.724 6.246 10.922 1.00 0.00 H new ATOM 866 N ASN A 60 6.356 -3.002 6.675 1.00 0.00 N ATOM 867 CA ASN A 60 6.323 -4.412 6.636 1.00 0.00 C ATOM 868 C ASN A 60 7.215 -4.958 7.681 1.00 0.00 C ATOM 869 O ASN A 60 8.416 -4.723 7.709 1.00 0.00 O ATOM 870 CB ASN A 60 6.701 -4.965 5.242 1.00 0.00 C ATOM 871 CG ASN A 60 5.673 -4.720 4.124 1.00 0.00 C ATOM 872 OD1 ASN A 60 5.546 -5.515 3.218 1.00 0.00 O ATOM 873 ND2 ASN A 60 4.968 -3.619 4.153 1.00 0.00 N ATOM 0 H ASN A 60 6.908 -2.573 5.932 1.00 0.00 H new ATOM 0 HA ASN A 60 5.300 -4.732 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.650 -4.521 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.865 -6.039 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.301 -3.421 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.085 -2.959 4.922 1.00 0.00 H new ATOM 880 N HIS A 61 6.606 -5.621 8.552 1.00 0.00 N ATOM 881 CA HIS A 61 7.285 -6.294 9.624 1.00 0.00 C ATOM 882 C HIS A 61 7.282 -7.789 9.358 1.00 0.00 C ATOM 883 O HIS A 61 8.286 -8.350 8.927 1.00 0.00 O ATOM 884 CB HIS A 61 6.648 -5.964 10.981 1.00 0.00 C ATOM 885 CG HIS A 61 6.521 -4.488 11.259 1.00 0.00 C ATOM 886 ND1 HIS A 61 7.575 -3.602 11.251 1.00 0.00 N ATOM 887 CD2 HIS A 61 5.418 -3.747 11.508 1.00 0.00 C ATOM 888 CE1 HIS A 61 7.093 -2.384 11.487 1.00 0.00 C ATOM 889 NE2 HIS A 61 5.782 -2.411 11.653 1.00 0.00 N ATOM 0 H HIS A 61 5.592 -5.733 8.568 1.00 0.00 H new ATOM 0 HA HIS A 61 8.317 -5.945 9.667 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.658 -6.418 11.025 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.244 -6.422 11.771 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.412 -4.131 11.583 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.695 -1.489 11.536 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.167 -1.620 11.846 1.00 0.00 H new ATOM 897 N ASP A 62 6.146 -8.426 9.548 1.00 0.00 N ATOM 898 CA ASP A 62 6.033 -9.852 9.263 1.00 0.00 C ATOM 899 C ASP A 62 5.577 -10.020 7.858 1.00 0.00 C ATOM 900 O ASP A 62 4.503 -9.540 7.482 1.00 0.00 O ATOM 901 CB ASP A 62 5.066 -10.544 10.207 1.00 0.00 C ATOM 902 CG ASP A 62 5.089 -12.056 10.054 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.007 -12.701 10.610 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.194 -12.621 9.403 1.00 0.00 O ATOM 0 H ASP A 62 5.292 -7.990 9.895 1.00 0.00 H new ATOM 0 HA ASP A 62 7.010 -10.313 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.316 -10.282 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.056 -10.178 10.021 1.00 0.00 H new ATOM 909 N ILE A 63 6.390 -10.675 7.073 1.00 0.00 N ATOM 910 CA ILE A 63 6.111 -10.863 5.667 1.00 0.00 C ATOM 911 C ILE A 63 4.843 -11.673 5.450 1.00 0.00 C ATOM 912 O ILE A 63 4.076 -11.400 4.548 1.00 0.00 O ATOM 913 CB ILE A 63 7.331 -11.477 4.918 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.027 -11.669 3.431 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.764 -12.794 5.562 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.253 -11.933 2.582 1.00 0.00 C ATOM 0 H ILE A 63 7.265 -11.095 7.386 1.00 0.00 H new ATOM 0 HA ILE A 63 5.935 -9.878 5.236 1.00 0.00 H new ATOM 0 HB ILE A 63 8.160 -10.774 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.332 -12.501 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.522 -10.779 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.617 -13.201 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.045 -12.616 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.939 -13.505 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.955 -12.058 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.940 -11.091 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.747 -12.840 2.929 1.00 0.00 H new ATOM 928 N ALA A 64 4.559 -12.579 6.344 1.00 0.00 N ATOM 929 CA ALA A 64 3.395 -13.415 6.170 1.00 0.00 C ATOM 930 C ALA A 64 2.136 -12.667 6.586 1.00 0.00 C ATOM 931 O ALA A 64 1.015 -13.074 6.270 1.00 0.00 O ATOM 932 CB ALA A 64 3.545 -14.705 6.921 1.00 0.00 C ATOM 0 H ALA A 64 5.104 -12.759 7.187 1.00 0.00 H new ATOM 0 HA ALA A 64 3.301 -13.664 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.655 -15.317 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.419 -15.241 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.670 -14.495 7.983 1.00 0.00 H new ATOM 938 N ASP A 65 2.323 -11.550 7.258 1.00 0.00 N ATOM 939 CA ASP A 65 1.208 -10.725 7.678 1.00 0.00 C ATOM 940 C ASP A 65 0.778 -9.846 6.533 1.00 0.00 C ATOM 941 O ASP A 65 -0.414 -9.669 6.284 1.00 0.00 O ATOM 942 CB ASP A 65 1.544 -9.871 8.911 1.00 0.00 C ATOM 943 CG ASP A 65 0.385 -8.970 9.328 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.663 -9.487 9.805 1.00 0.00 O ATOM 945 OD2 ASP A 65 0.468 -7.749 9.139 1.00 0.00 O ATOM 0 H ASP A 65 3.239 -11.191 7.526 1.00 0.00 H new ATOM 0 HA ASP A 65 0.392 -11.387 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.809 -10.525 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.419 -9.257 8.697 1.00 0.00 H new ATOM 950 N VAL A 66 1.743 -9.327 5.809 1.00 0.00 N ATOM 951 CA VAL A 66 1.439 -8.496 4.668 1.00 0.00 C ATOM 952 C VAL A 66 0.925 -9.371 3.502 1.00 0.00 C ATOM 953 O VAL A 66 0.013 -8.968 2.765 1.00 0.00 O ATOM 954 CB VAL A 66 2.642 -7.597 4.247 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.805 -8.405 3.735 1.00 0.00 C ATOM 956 CG2 VAL A 66 2.218 -6.529 3.248 1.00 0.00 C ATOM 0 H VAL A 66 2.738 -9.464 5.988 1.00 0.00 H new ATOM 0 HA VAL A 66 0.646 -7.805 4.954 1.00 0.00 H new ATOM 0 HB VAL A 66 2.986 -7.087 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.618 -7.735 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.148 -9.084 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.492 -8.981 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.081 -5.921 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.815 -7.006 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.454 -5.894 3.696 1.00 0.00 H new ATOM 966 N VAL A 67 1.475 -10.599 3.386 1.00 0.00 N ATOM 967 CA VAL A 67 1.006 -11.573 2.392 1.00 0.00 C ATOM 968 C VAL A 67 -0.461 -11.892 2.646 1.00 0.00 C ATOM 969 O VAL A 67 -1.254 -11.978 1.718 1.00 0.00 O ATOM 970 CB VAL A 67 1.860 -12.888 2.399 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.229 -13.972 1.533 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.261 -12.605 1.890 1.00 0.00 C ATOM 0 H VAL A 67 2.242 -10.933 3.969 1.00 0.00 H new ATOM 0 HA VAL A 67 1.122 -11.125 1.405 1.00 0.00 H new ATOM 0 HB VAL A 67 1.900 -13.244 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.849 -14.868 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.234 -14.207 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.152 -13.618 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.844 -13.526 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.207 -12.220 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.739 -11.866 2.533 1.00 0.00 H new ATOM 982 N ASP A 68 -0.807 -12.009 3.918 1.00 0.00 N ATOM 983 CA ASP A 68 -2.183 -12.241 4.359 1.00 0.00 C ATOM 984 C ASP A 68 -3.126 -11.205 3.764 1.00 0.00 C ATOM 985 O ASP A 68 -4.091 -11.551 3.107 1.00 0.00 O ATOM 986 CB ASP A 68 -2.248 -12.214 5.890 1.00 0.00 C ATOM 987 CG ASP A 68 -3.652 -12.166 6.455 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.345 -13.190 6.452 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.053 -11.088 6.953 1.00 0.00 O ATOM 0 H ASP A 68 -0.138 -11.946 4.685 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.502 -13.222 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.743 -13.098 6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.695 -11.347 6.250 1.00 0.00 H new ATOM 994 N LYS A 69 -2.774 -9.945 3.914 1.00 0.00 N ATOM 995 CA LYS A 69 -3.612 -8.836 3.439 1.00 0.00 C ATOM 996 C LYS A 69 -3.695 -8.860 1.918 1.00 0.00 C ATOM 997 O LYS A 69 -4.785 -8.730 1.342 1.00 0.00 O ATOM 998 CB LYS A 69 -3.019 -7.489 3.879 1.00 0.00 C ATOM 999 CG LYS A 69 -2.591 -7.417 5.336 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.725 -7.677 6.276 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.258 -7.815 7.694 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.498 -9.057 7.888 1.00 0.00 N ATOM 0 H LYS A 69 -1.907 -9.650 4.364 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.607 -8.953 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.156 -7.268 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.756 -6.708 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.799 -8.144 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.171 -6.432 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.446 -6.862 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.244 -8.587 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.636 -6.960 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.117 -7.804 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.146 -9.099 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.116 -9.874 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.694 -9.078 7.229 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.539 -9.048 1.285 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.421 -9.100 -0.166 1.00 0.00 C ATOM 1018 C ALA A 70 -3.240 -10.244 -0.742 1.00 0.00 C ATOM 1019 O ALA A 70 -3.753 -10.152 -1.848 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.961 -9.235 -0.568 1.00 0.00 C ATOM 0 H ALA A 70 -1.651 -9.169 1.772 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.815 -8.169 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.885 -9.273 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.400 -8.378 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.550 -10.151 -0.143 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.345 -11.307 0.014 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.126 -12.463 -0.356 1.00 0.00 C ATOM 1028 C LYS A 71 -5.616 -12.199 -0.153 1.00 0.00 C ATOM 1029 O LYS A 71 -6.403 -12.296 -1.099 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.709 -13.651 0.503 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.537 -14.906 0.284 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.202 -15.980 1.300 1.00 0.00 C ATOM 1033 CE LYS A 71 -4.536 -15.551 2.731 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.244 -16.615 3.704 1.00 0.00 N ATOM 0 H LYS A 71 -2.883 -11.396 0.919 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.948 -12.678 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.663 -13.881 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.775 -13.366 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.597 -14.660 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.361 -15.288 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.752 -16.890 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.141 -16.221 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.964 -14.659 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.590 -15.282 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.484 -16.286 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.809 -17.458 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.233 -16.855 3.663 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.981 -11.855 1.085 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.379 -11.659 1.494 1.00 0.00 C ATOM 1050 C VAL A 72 -8.079 -10.595 0.652 1.00 0.00 C ATOM 1051 O VAL A 72 -9.104 -10.861 0.027 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.507 -11.292 3.005 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.953 -11.114 3.395 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.874 -12.351 3.886 1.00 0.00 C ATOM 0 H VAL A 72 -5.311 -11.703 1.839 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.872 -12.617 1.328 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.977 -10.351 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.016 -10.859 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.394 -10.313 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.496 -12.042 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.980 -12.065 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.370 -13.307 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.816 -12.443 3.641 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.527 -9.400 0.631 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.118 -8.319 -0.152 1.00 0.00 C ATOM 1066 C LEU A 73 -7.792 -8.440 -1.622 1.00 0.00 C ATOM 1067 O LEU A 73 -8.375 -7.725 -2.444 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.634 -6.966 0.339 1.00 0.00 C ATOM 1069 CG LEU A 73 -7.972 -6.602 1.766 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -7.411 -5.228 2.088 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.478 -6.641 1.981 1.00 0.00 C ATOM 0 H LEU A 73 -6.679 -9.147 1.139 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.197 -8.400 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.550 -6.931 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.048 -6.199 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.520 -7.330 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.656 -4.967 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.328 -5.239 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.846 -4.490 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.705 -6.376 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.960 -5.930 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.849 -7.645 1.774 1.00 0.00 H new ATOM 1083 N SER A 74 -6.894 -9.368 -1.959 1.00 0.00 N ATOM 1084 CA SER A 74 -6.369 -9.537 -3.311 1.00 0.00 C ATOM 1085 C SER A 74 -5.904 -8.202 -3.884 1.00 0.00 C ATOM 1086 O SER A 74 -6.550 -7.601 -4.754 1.00 0.00 O ATOM 1087 CB SER A 74 -7.339 -10.318 -4.237 1.00 0.00 C ATOM 1088 OG SER A 74 -8.668 -9.795 -4.175 1.00 0.00 O ATOM 0 H SER A 74 -6.507 -10.032 -1.289 1.00 0.00 H new ATOM 0 HA SER A 74 -5.485 -10.171 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.978 -10.271 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.348 -11.369 -3.950 1.00 0.00 H new ATOM 0 HG SER A 74 -8.635 -8.816 -4.185 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.838 -7.704 -3.290 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.279 -6.415 -3.607 1.00 0.00 C ATOM 1096 C LEU A 75 -3.602 -6.407 -4.958 1.00 0.00 C ATOM 1097 O LEU A 75 -3.522 -7.433 -5.648 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.299 -5.989 -2.513 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.893 -5.866 -1.110 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.826 -5.509 -0.103 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -5.002 -4.835 -1.093 1.00 0.00 C ATOM 0 H LEU A 75 -4.329 -8.199 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.100 -5.699 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.482 -6.709 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.866 -5.028 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.312 -6.833 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.273 -5.427 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.061 -6.285 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.372 -4.556 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.414 -4.760 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.603 -3.867 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.788 -5.135 -1.785 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.104 -5.263 -5.324 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.479 -5.106 -6.597 1.00 0.00 C ATOM 1115 C ALA A 76 -1.131 -4.506 -6.425 1.00 0.00 C ATOM 1116 O ALA A 76 -0.230 -4.808 -7.169 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.323 -4.273 -7.512 1.00 0.00 C ATOM 0 H ALA A 76 -3.121 -4.420 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.370 -6.089 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.823 -4.170 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.290 -4.756 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.472 -3.287 -7.073 1.00 0.00 H new ATOM 1123 N ALA A 77 -1.005 -3.604 -5.478 1.00 0.00 N ATOM 1124 CA ALA A 77 0.277 -3.085 -5.121 1.00 0.00 C ATOM 1125 C ALA A 77 0.376 -2.893 -3.624 1.00 0.00 C ATOM 1126 O ALA A 77 -0.641 -2.766 -2.933 1.00 0.00 O ATOM 1127 CB ALA A 77 0.530 -1.794 -5.835 1.00 0.00 C ATOM 0 H ALA A 77 -1.784 -3.219 -4.944 1.00 0.00 H new ATOM 0 HA ALA A 77 1.039 -3.804 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.510 -1.409 -5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.501 -1.962 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.237 -1.070 -5.560 1.00 0.00 H new ATOM 1133 N VAL A 78 1.581 -2.911 -3.140 1.00 0.00 N ATOM 1134 CA VAL A 78 1.890 -2.672 -1.740 1.00 0.00 C ATOM 1135 C VAL A 78 3.187 -1.867 -1.667 1.00 0.00 C ATOM 1136 O VAL A 78 4.083 -2.051 -2.493 1.00 0.00 O ATOM 1137 CB VAL A 78 2.044 -3.998 -0.950 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.106 -4.870 -1.604 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.402 -3.743 0.515 1.00 0.00 C ATOM 0 H VAL A 78 2.405 -3.096 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 78 1.067 -2.121 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 78 1.085 -4.515 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.209 -5.800 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.812 -5.095 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.059 -4.341 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.502 -4.695 1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.345 -3.199 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.615 -3.153 0.984 1.00 0.00 H new ATOM 1149 N GLN A 79 3.248 -0.914 -0.784 1.00 0.00 N ATOM 1150 CA GLN A 79 4.374 -0.095 -0.650 1.00 0.00 C ATOM 1151 C GLN A 79 5.245 -0.543 0.466 1.00 0.00 C ATOM 1152 O GLN A 79 4.784 -0.765 1.594 1.00 0.00 O ATOM 1153 CB GLN A 79 3.972 1.349 -0.480 1.00 0.00 C ATOM 1154 CG GLN A 79 3.655 2.068 -1.772 1.00 0.00 C ATOM 1155 CD GLN A 79 2.409 1.560 -2.448 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.337 2.074 -2.228 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.534 0.504 -3.236 1.00 0.00 N ATOM 0 H GLN A 79 2.493 -0.696 -0.134 1.00 0.00 H new ATOM 0 HA GLN A 79 4.954 -0.179 -1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.099 1.396 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.777 1.880 0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.541 3.133 -1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.498 1.963 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.454 0.096 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.710 0.098 -3.680 1.00 0.00 H new ATOM 1166 N LEU A 80 6.493 -0.679 0.149 1.00 0.00 N ATOM 1167 CA LEU A 80 7.471 -1.121 1.088 1.00 0.00 C ATOM 1168 C LEU A 80 8.135 0.020 1.801 1.00 0.00 C ATOM 1169 O LEU A 80 8.661 0.947 1.170 1.00 0.00 O ATOM 1170 CB LEU A 80 8.524 -2.009 0.415 1.00 0.00 C ATOM 1171 CG LEU A 80 8.348 -3.519 0.590 1.00 0.00 C ATOM 1172 CD1 LEU A 80 8.509 -3.883 2.056 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.993 -3.985 0.061 1.00 0.00 C ATOM 0 H LEU A 80 6.865 -0.484 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 80 6.939 -1.710 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.528 -1.786 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.504 -1.731 0.803 1.00 0.00 H new ATOM 0 HG LEU A 80 9.116 -4.029 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.383 -4.959 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.503 -3.592 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.756 -3.360 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.899 -5.062 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.196 -3.478 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.916 -3.748 -1.000 1.00 0.00 H new ATOM 1185 N HIS A 81 8.072 -0.033 3.110 1.00 0.00 N ATOM 1186 CA HIS A 81 8.795 0.877 3.952 1.00 0.00 C ATOM 1187 C HIS A 81 10.206 0.316 4.044 1.00 0.00 C ATOM 1188 O HIS A 81 10.479 -0.577 4.853 1.00 0.00 O ATOM 1189 CB HIS A 81 8.140 0.950 5.348 1.00 0.00 C ATOM 1190 CG HIS A 81 8.671 2.029 6.258 1.00 0.00 C ATOM 1191 ND1 HIS A 81 9.326 1.794 7.458 1.00 0.00 N ATOM 1192 CD2 HIS A 81 8.560 3.376 6.162 1.00 0.00 C ATOM 1193 CE1 HIS A 81 9.568 2.973 8.030 1.00 0.00 C ATOM 1194 NE2 HIS A 81 9.127 3.966 7.286 1.00 0.00 N ATOM 0 H HIS A 81 7.512 -0.716 3.620 1.00 0.00 H new ATOM 0 HA HIS A 81 8.796 1.891 3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.068 1.102 5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.269 -0.013 5.842 1.00 0.00 H new ATOM 0 HD1 HIS A 81 9.578 0.881 7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.103 3.908 5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.063 3.098 8.982 1.00 0.00 H new ATOM 1202 N GLY A 82 11.059 0.788 3.152 1.00 0.00 N ATOM 1203 CA GLY A 82 12.423 0.270 3.006 1.00 0.00 C ATOM 1204 C GLY A 82 13.284 0.321 4.260 1.00 0.00 C ATOM 1205 O GLY A 82 14.281 -0.397 4.368 1.00 0.00 O ATOM 0 H GLY A 82 10.833 1.542 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.365 -0.765 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.924 0.834 2.220 1.00 0.00 H new ATOM 1209 N ASN A 83 12.892 1.154 5.191 1.00 0.00 N ATOM 1210 CA ASN A 83 13.582 1.342 6.467 1.00 0.00 C ATOM 1211 C ASN A 83 13.801 0.043 7.247 1.00 0.00 C ATOM 1212 O ASN A 83 14.806 -0.088 7.958 1.00 0.00 O ATOM 1213 CB ASN A 83 12.795 2.344 7.329 1.00 0.00 C ATOM 1214 CG ASN A 83 13.259 2.424 8.781 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.178 3.174 9.104 1.00 0.00 O ATOM 1216 ND2 ASN A 83 12.599 1.683 9.669 1.00 0.00 N ATOM 0 H ASN A 83 12.064 1.741 5.091 1.00 0.00 H new ATOM 0 HA ASN A 83 14.575 1.727 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.875 3.334 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.740 2.070 7.312 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.851 1.726 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.842 1.073 9.362 1.00 0.00 H new ATOM 1223 N GLU A 84 12.906 -0.924 7.078 1.00 0.00 N ATOM 1224 CA GLU A 84 12.929 -2.117 7.901 1.00 0.00 C ATOM 1225 C GLU A 84 14.200 -2.952 7.704 1.00 0.00 C ATOM 1226 O GLU A 84 14.864 -3.314 8.682 1.00 0.00 O ATOM 1227 CB GLU A 84 11.672 -2.958 7.683 1.00 0.00 C ATOM 1228 CG GLU A 84 10.370 -2.174 7.855 1.00 0.00 C ATOM 1229 CD GLU A 84 10.322 -1.377 9.137 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.284 -1.973 10.231 1.00 0.00 O ATOM 1231 OE2 GLU A 84 10.345 -0.116 9.066 1.00 0.00 O ATOM 0 H GLU A 84 12.161 -0.901 6.381 1.00 0.00 H new ATOM 0 HA GLU A 84 12.941 -1.781 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.700 -3.383 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.678 -3.793 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.246 -1.498 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.530 -2.868 7.834 1.00 0.00 H new ATOM 1238 N GLU A 85 14.560 -3.197 6.461 1.00 0.00 N ATOM 1239 CA GLU A 85 15.727 -3.969 6.104 1.00 0.00 C ATOM 1240 C GLU A 85 15.804 -3.919 4.583 1.00 0.00 C ATOM 1241 O GLU A 85 14.774 -3.810 3.944 1.00 0.00 O ATOM 1242 CB GLU A 85 15.568 -5.402 6.638 1.00 0.00 C ATOM 1243 CG GLU A 85 16.864 -6.166 6.812 1.00 0.00 C ATOM 1244 CD GLU A 85 17.469 -6.622 5.527 1.00 0.00 C ATOM 1245 OE1 GLU A 85 16.972 -7.577 4.954 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.424 -5.989 5.048 1.00 0.00 O ATOM 0 H GLU A 85 14.036 -2.856 5.655 1.00 0.00 H new ATOM 0 HA GLU A 85 16.649 -3.579 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.056 -5.361 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.924 -5.958 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.580 -5.534 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.681 -7.034 7.446 1.00 0.00 H new ATOM 1253 N GLN A 86 16.996 -4.012 4.026 1.00 0.00 N ATOM 1254 CA GLN A 86 17.245 -3.822 2.620 1.00 0.00 C ATOM 1255 C GLN A 86 16.848 -5.045 1.800 1.00 0.00 C ATOM 1256 O GLN A 86 16.192 -4.946 0.754 1.00 0.00 O ATOM 1257 CB GLN A 86 18.733 -3.563 2.430 1.00 0.00 C ATOM 1258 CG GLN A 86 19.240 -2.235 2.986 1.00 0.00 C ATOM 1259 CD GLN A 86 20.752 -2.083 2.877 1.00 0.00 C ATOM 1260 OE1 GLN A 86 21.478 -3.161 3.052 1.00 0.00 O flip ATOM 1261 NE2 GLN A 86 21.263 -0.977 2.701 1.00 0.00 N flip ATOM 0 H GLN A 86 17.838 -4.228 4.559 1.00 0.00 H new ATOM 0 HA GLN A 86 16.645 -2.980 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.289 -4.372 2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.959 -3.602 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.758 -1.416 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.946 -2.149 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.671 -0.157 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.278 -0.881 2.688 1.00 0.00 H new ATOM 1270 N LEU A 87 17.227 -6.179 2.290 1.00 0.00 N ATOM 1271 CA LEU A 87 17.067 -7.438 1.593 1.00 0.00 C ATOM 1272 C LEU A 87 15.685 -7.980 1.816 1.00 0.00 C ATOM 1273 O LEU A 87 15.176 -8.779 1.039 1.00 0.00 O ATOM 1274 CB LEU A 87 18.098 -8.398 2.109 1.00 0.00 C ATOM 1275 CG LEU A 87 19.518 -7.895 1.984 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.430 -8.692 2.870 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.985 -7.948 0.537 1.00 0.00 C ATOM 0 H LEU A 87 17.668 -6.271 3.205 1.00 0.00 H new ATOM 0 HA LEU A 87 17.202 -7.293 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.889 -8.612 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.007 -9.340 1.568 1.00 0.00 H new ATOM 0 HG LEU A 87 19.547 -6.854 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.450 -8.320 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.107 -8.594 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.396 -9.741 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.009 -7.581 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.944 -8.977 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.336 -7.324 -0.078 1.00 0.00 H new ATOM 1289 N TYR A 88 15.094 -7.544 2.894 1.00 0.00 N ATOM 1290 CA TYR A 88 13.741 -7.865 3.238 1.00 0.00 C ATOM 1291 C TYR A 88 12.779 -7.500 2.112 1.00 0.00 C ATOM 1292 O TYR A 88 11.903 -8.279 1.778 1.00 0.00 O ATOM 1293 CB TYR A 88 13.371 -7.174 4.539 1.00 0.00 C ATOM 1294 CG TYR A 88 11.950 -7.350 4.960 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.412 -8.615 5.144 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.143 -6.252 5.176 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.108 -8.784 5.528 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.837 -6.412 5.567 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.321 -7.681 5.741 1.00 0.00 C ATOM 1300 OH TYR A 88 8.018 -7.843 6.143 1.00 0.00 O ATOM 0 H TYR A 88 15.555 -6.939 3.574 1.00 0.00 H new ATOM 0 HA TYR A 88 13.659 -8.942 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.019 -7.550 5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.576 -6.108 4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.033 -9.483 4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.542 -5.258 5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.703 -9.776 5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.214 -5.547 5.738 1.00 0.00 H new ATOM 0 HH TYR A 88 7.999 -8.167 7.068 1.00 0.00 H new ATOM 1310 N ILE A 89 13.002 -6.360 1.474 1.00 0.00 N ATOM 1311 CA ILE A 89 12.154 -5.915 0.358 1.00 0.00 C ATOM 1312 C ILE A 89 12.241 -6.925 -0.774 1.00 0.00 C ATOM 1313 O ILE A 89 11.244 -7.268 -1.419 1.00 0.00 O ATOM 1314 CB ILE A 89 12.591 -4.518 -0.157 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.384 -3.464 0.911 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.858 -4.115 -1.434 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.659 -2.840 1.344 1.00 0.00 C ATOM 0 H ILE A 89 13.762 -5.720 1.704 1.00 0.00 H new ATOM 0 HA ILE A 89 11.127 -5.840 0.715 1.00 0.00 H new ATOM 0 HB ILE A 89 13.653 -4.588 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.715 -2.692 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.892 -3.915 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.199 -3.130 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.066 -4.843 -2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.785 -4.083 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.456 -2.092 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 89 14.319 -3.606 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.139 -2.363 0.490 1.00 0.00 H new ATOM 1329 N ASP A 90 13.428 -7.451 -0.936 1.00 0.00 N ATOM 1330 CA ASP A 90 13.736 -8.439 -1.952 1.00 0.00 C ATOM 1331 C ASP A 90 13.042 -9.770 -1.644 1.00 0.00 C ATOM 1332 O ASP A 90 12.759 -10.570 -2.533 1.00 0.00 O ATOM 1333 CB ASP A 90 15.240 -8.614 -2.020 1.00 0.00 C ATOM 1334 CG ASP A 90 15.686 -9.476 -3.175 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.764 -8.978 -4.318 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.015 -10.654 -2.961 1.00 0.00 O ATOM 0 H ASP A 90 14.229 -7.202 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 90 13.367 -8.097 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.710 -7.634 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.590 -9.057 -1.088 1.00 0.00 H new ATOM 1341 N THR A 91 12.688 -9.922 -0.400 1.00 0.00 N ATOM 1342 CA THR A 91 12.051 -11.093 0.128 1.00 0.00 C ATOM 1343 C THR A 91 10.541 -10.981 -0.097 1.00 0.00 C ATOM 1344 O THR A 91 9.890 -11.951 -0.488 1.00 0.00 O ATOM 1345 CB THR A 91 12.380 -11.209 1.637 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.808 -11.347 1.830 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.657 -12.361 2.274 1.00 0.00 C ATOM 0 H THR A 91 12.843 -9.201 0.304 1.00 0.00 H new ATOM 0 HA THR A 91 12.413 -11.989 -0.377 1.00 0.00 H new ATOM 0 HB THR A 91 12.040 -10.294 2.121 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.256 -10.520 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.913 -12.411 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.582 -12.220 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.951 -13.290 1.786 1.00 0.00 H new ATOM 1355 N LEU A 92 9.995 -9.790 0.159 1.00 0.00 N ATOM 1356 CA LEU A 92 8.582 -9.497 -0.116 1.00 0.00 C ATOM 1357 C LEU A 92 8.147 -9.947 -1.492 1.00 0.00 C ATOM 1358 O LEU A 92 7.181 -10.681 -1.609 1.00 0.00 O ATOM 1359 CB LEU A 92 8.199 -8.011 0.058 1.00 0.00 C ATOM 1360 CG LEU A 92 7.900 -7.508 1.469 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.911 -8.386 2.145 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.124 -7.392 2.295 1.00 0.00 C ATOM 0 H LEU A 92 10.512 -9.007 0.559 1.00 0.00 H new ATOM 0 HA LEU A 92 8.053 -10.075 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.011 -7.407 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.321 -7.818 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 92 7.477 -6.509 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.714 -8.008 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.983 -8.397 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.309 -9.399 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.859 -7.031 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.600 -8.369 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.814 -6.691 1.826 1.00 0.00 H new ATOM 1374 N ARG A 93 8.895 -9.571 -2.537 1.00 0.00 N ATOM 1375 CA ARG A 93 8.452 -9.944 -3.911 1.00 0.00 C ATOM 1376 C ARG A 93 8.519 -11.422 -4.207 1.00 0.00 C ATOM 1377 O ARG A 93 8.031 -11.872 -5.225 1.00 0.00 O ATOM 1378 CB ARG A 93 9.072 -9.170 -5.066 1.00 0.00 C ATOM 1379 CG ARG A 93 10.583 -9.121 -5.175 1.00 0.00 C ATOM 1380 CD ARG A 93 11.157 -7.931 -4.457 1.00 0.00 C ATOM 1381 NE ARG A 93 12.595 -7.775 -4.701 1.00 0.00 N ATOM 1382 CZ ARG A 93 13.241 -6.601 -4.722 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.555 -5.467 -4.712 1.00 0.00 N ATOM 1384 NH2 ARG A 93 14.562 -6.570 -4.778 1.00 0.00 N ATOM 0 H ARG A 93 9.763 -9.039 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 93 7.408 -9.636 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.686 -9.593 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.710 -8.143 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.007 -10.035 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.871 -9.085 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.636 -7.029 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.981 -8.036 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 93 13.142 -8.620 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.535 -5.488 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.047 -4.573 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.092 -7.441 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.051 -5.675 -4.794 1.00 0.00 H new ATOM 1398 N GLU A 94 9.135 -12.143 -3.349 1.00 0.00 N ATOM 1399 CA GLU A 94 9.185 -13.591 -3.464 1.00 0.00 C ATOM 1400 C GLU A 94 7.876 -14.173 -2.979 1.00 0.00 C ATOM 1401 O GLU A 94 7.225 -14.951 -3.675 1.00 0.00 O ATOM 1402 CB GLU A 94 10.313 -14.184 -2.635 1.00 0.00 C ATOM 1403 CG GLU A 94 11.681 -13.713 -3.025 1.00 0.00 C ATOM 1404 CD GLU A 94 12.774 -14.423 -2.265 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.662 -15.643 -2.037 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.794 -13.797 -1.930 1.00 0.00 O ATOM 0 H GLU A 94 9.627 -11.768 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 94 9.360 -13.836 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.143 -13.941 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.278 -15.270 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.825 -13.870 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.757 -12.640 -2.847 1.00 0.00 H new ATOM 1413 N ALA A 95 7.481 -13.754 -1.792 1.00 0.00 N ATOM 1414 CA ALA A 95 6.271 -14.268 -1.154 1.00 0.00 C ATOM 1415 C ALA A 95 5.014 -13.710 -1.785 1.00 0.00 C ATOM 1416 O ALA A 95 3.942 -14.321 -1.740 1.00 0.00 O ATOM 1417 CB ALA A 95 6.294 -14.035 0.340 1.00 0.00 C ATOM 0 H ALA A 95 7.980 -13.055 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 95 6.256 -15.345 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.380 -14.429 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.156 -14.542 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.363 -12.966 0.540 1.00 0.00 H new ATOM 1423 N LEU A 96 5.162 -12.591 -2.381 1.00 0.00 N ATOM 1424 CA LEU A 96 4.079 -11.921 -3.070 1.00 0.00 C ATOM 1425 C LEU A 96 4.078 -12.338 -4.527 1.00 0.00 C ATOM 1426 O LEU A 96 5.107 -12.255 -5.193 1.00 0.00 O ATOM 1427 CB LEU A 96 4.222 -10.395 -2.965 1.00 0.00 C ATOM 1428 CG LEU A 96 4.143 -9.797 -1.557 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.442 -8.313 -1.602 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.769 -10.037 -0.944 1.00 0.00 C ATOM 0 H LEU A 96 6.048 -12.087 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 96 3.137 -12.207 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.179 -10.111 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.443 -9.937 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 96 4.888 -10.290 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.383 -7.899 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.444 -8.156 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.714 -7.815 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.736 -9.604 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.006 -9.570 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.581 -11.109 -0.881 1.00 0.00 H new ATOM 1442 N PRO A 97 2.937 -12.802 -5.043 1.00 0.00 N ATOM 1443 CA PRO A 97 2.816 -13.212 -6.438 1.00 0.00 C ATOM 1444 C PRO A 97 2.881 -12.003 -7.355 1.00 0.00 C ATOM 1445 O PRO A 97 2.715 -10.876 -6.900 1.00 0.00 O ATOM 1446 CB PRO A 97 1.430 -13.847 -6.505 1.00 0.00 C ATOM 1447 CG PRO A 97 0.668 -13.178 -5.426 1.00 0.00 C ATOM 1448 CD PRO A 97 1.654 -12.947 -4.319 1.00 0.00 C ATOM 0 HA PRO A 97 3.613 -13.885 -6.752 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.966 -13.687 -7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.478 -14.925 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.241 -12.237 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.162 -13.799 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.412 -12.054 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.678 -13.782 -3.618 1.00 0.00 H new ATOM 1456 N ALA A 98 3.073 -12.235 -8.642 1.00 0.00 N ATOM 1457 CA ALA A 98 3.200 -11.156 -9.631 1.00 0.00 C ATOM 1458 C ALA A 98 1.906 -10.344 -9.735 1.00 0.00 C ATOM 1459 O ALA A 98 1.894 -9.229 -10.256 1.00 0.00 O ATOM 1460 CB ALA A 98 3.587 -11.725 -10.989 1.00 0.00 C ATOM 0 H ALA A 98 3.146 -13.171 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 98 3.989 -10.483 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.677 -10.914 -11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.541 -12.246 -10.907 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.820 -12.424 -11.323 1.00 0.00 H new ATOM 1466 N HIS A 99 0.827 -10.923 -9.219 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.497 -10.290 -9.169 1.00 0.00 C ATOM 1468 C HIS A 99 -0.448 -9.059 -8.271 1.00 0.00 C ATOM 1469 O HIS A 99 -1.194 -8.101 -8.459 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.541 -11.275 -8.604 1.00 0.00 C ATOM 1471 CG HIS A 99 -1.612 -12.570 -9.322 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.655 -13.805 -8.706 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -1.631 -12.801 -10.624 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.689 -14.731 -9.657 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -1.679 -14.173 -10.853 1.00 0.00 N ATOM 0 H HIS A 99 0.842 -11.860 -8.816 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.779 -10.002 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.312 -11.467 -7.556 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.523 -10.802 -8.634 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.612 -12.042 -11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.721 -15.795 -9.477 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.702 -14.648 -11.756 1.00 0.00 H new ATOM 1483 N VAL A 100 0.436 -9.102 -7.300 1.00 0.00 N ATOM 1484 CA VAL A 100 0.639 -8.057 -6.398 1.00 0.00 C ATOM 1485 C VAL A 100 1.973 -7.423 -6.740 1.00 0.00 C ATOM 1486 O VAL A 100 2.952 -8.119 -7.005 1.00 0.00 O ATOM 1487 CB VAL A 100 0.674 -8.614 -4.965 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.970 -7.526 -3.987 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.632 -9.307 -4.618 1.00 0.00 C ATOM 0 H VAL A 100 1.041 -9.906 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.164 -7.322 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 100 1.472 -9.354 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.991 -7.939 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.939 -7.083 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.197 -6.760 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.580 -9.692 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.454 -8.595 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.801 -10.133 -5.309 1.00 0.00 H new ATOM 1499 N ALA A 101 2.000 -6.145 -6.779 1.00 0.00 N ATOM 1500 CA ALA A 101 3.184 -5.435 -7.099 1.00 0.00 C ATOM 1501 C ALA A 101 3.666 -4.703 -5.886 1.00 0.00 C ATOM 1502 O ALA A 101 2.957 -4.596 -4.892 1.00 0.00 O ATOM 1503 CB ALA A 101 2.925 -4.470 -8.234 1.00 0.00 C ATOM 0 H ALA A 101 1.192 -5.552 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 101 3.953 -6.138 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.843 -3.931 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.593 -5.023 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.153 -3.760 -7.939 1.00 0.00 H new ATOM 1509 N ILE A 102 4.823 -4.169 -5.980 1.00 0.00 N ATOM 1510 CA ILE A 102 5.432 -3.471 -4.918 1.00 0.00 C ATOM 1511 C ILE A 102 5.765 -2.099 -5.401 1.00 0.00 C ATOM 1512 O ILE A 102 6.266 -1.943 -6.509 1.00 0.00 O ATOM 1513 CB ILE A 102 6.749 -4.155 -4.451 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.492 -5.480 -3.696 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.586 -3.180 -3.645 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.765 -6.186 -3.237 1.00 0.00 C ATOM 0 H ILE A 102 5.390 -4.207 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 102 4.741 -3.454 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 102 7.318 -4.433 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.867 -5.276 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.928 -6.152 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.505 -3.669 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.832 -2.315 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.023 -2.854 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.503 -7.107 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.382 -6.423 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.320 -5.533 -2.563 1.00 0.00 H new ATOM 1528 N TRP A 103 5.485 -1.115 -4.613 1.00 0.00 N ATOM 1529 CA TRP A 103 5.904 0.208 -4.957 1.00 0.00 C ATOM 1530 C TRP A 103 6.764 0.704 -3.833 1.00 0.00 C ATOM 1531 O TRP A 103 6.655 0.211 -2.701 1.00 0.00 O ATOM 1532 CB TRP A 103 4.747 1.184 -5.205 1.00 0.00 C ATOM 1533 CG TRP A 103 3.723 0.786 -6.246 1.00 0.00 C ATOM 1534 CD1 TRP A 103 3.832 -0.131 -7.240 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.432 1.349 -6.373 1.00 0.00 C ATOM 1536 NE1 TRP A 103 2.671 -0.170 -7.971 1.00 0.00 N ATOM 1537 CE2 TRP A 103 1.798 0.739 -7.450 1.00 0.00 C ATOM 1538 CE3 TRP A 103 1.761 2.311 -5.661 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.509 1.073 -7.833 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.488 2.656 -6.032 1.00 0.00 C ATOM 1541 CH2 TRP A 103 -0.129 2.035 -7.112 1.00 0.00 C ATOM 0 H TRP A 103 4.973 -1.197 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 103 6.445 0.160 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.226 1.339 -4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.171 2.145 -5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 103 4.704 -0.740 -7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.491 -0.777 -8.770 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.232 2.792 -4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.029 0.589 -8.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.042 3.418 -5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -1.134 2.322 -7.384 1.00 0.00 H new ATOM 1552 N LYS A 104 7.606 1.637 -4.104 1.00 0.00 N ATOM 1553 CA LYS A 104 8.482 2.128 -3.102 1.00 0.00 C ATOM 1554 C LYS A 104 8.219 3.591 -2.910 1.00 0.00 C ATOM 1555 O LYS A 104 8.116 4.346 -3.880 1.00 0.00 O ATOM 1556 CB LYS A 104 9.942 1.876 -3.501 1.00 0.00 C ATOM 1557 CG LYS A 104 10.819 1.282 -2.384 1.00 0.00 C ATOM 1558 CD LYS A 104 11.059 2.242 -1.215 1.00 0.00 C ATOM 1559 CE LYS A 104 11.946 3.407 -1.625 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.198 4.346 -0.512 1.00 0.00 N ATOM 0 H LYS A 104 7.707 2.078 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 104 8.304 1.606 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.960 1.201 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.383 2.817 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.347 0.375 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.781 0.989 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.104 2.621 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.523 1.703 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.897 3.023 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.477 3.944 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.912 5.044 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.315 4.836 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.545 3.819 0.315 1.00 0.00 H new ATOM 1574 N ALA A 105 8.043 3.964 -1.682 1.00 0.00 N ATOM 1575 CA ALA A 105 7.854 5.343 -1.308 1.00 0.00 C ATOM 1576 C ALA A 105 9.189 6.054 -1.408 1.00 0.00 C ATOM 1577 O ALA A 105 10.057 5.871 -0.562 1.00 0.00 O ATOM 1578 CB ALA A 105 7.313 5.422 0.101 1.00 0.00 C ATOM 0 H ALA A 105 8.025 3.316 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 105 7.136 5.821 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.172 6.467 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.357 4.900 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.019 4.956 0.788 1.00 0.00 H new ATOM 1584 N LEU A 106 9.355 6.794 -2.463 1.00 0.00 N ATOM 1585 CA LEU A 106 10.587 7.462 -2.787 1.00 0.00 C ATOM 1586 C LEU A 106 10.798 8.620 -1.841 1.00 0.00 C ATOM 1587 O LEU A 106 9.960 9.532 -1.784 1.00 0.00 O ATOM 1588 CB LEU A 106 10.515 7.992 -4.224 1.00 0.00 C ATOM 1589 CG LEU A 106 11.819 8.510 -4.823 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.742 7.354 -5.159 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.552 9.371 -6.047 1.00 0.00 C ATOM 0 H LEU A 106 8.615 6.957 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 106 11.415 6.759 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.139 7.194 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.781 8.798 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 106 12.313 9.137 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.668 7.740 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.966 6.792 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.256 6.698 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.498 9.727 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.032 8.780 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.935 10.224 -5.764 1.00 0.00 H new ATOM 1748 N PHE A 117 15.538 1.292 -3.272 1.00 0.00 N ATOM 1749 CA PHE A 117 15.201 -0.100 -3.355 1.00 0.00 C ATOM 1750 C PHE A 117 14.507 -0.282 -4.664 1.00 0.00 C ATOM 1751 O PHE A 117 13.532 0.418 -4.956 1.00 0.00 O ATOM 1752 CB PHE A 117 14.314 -0.553 -2.179 1.00 0.00 C ATOM 1753 CG PHE A 117 14.998 -0.396 -0.862 1.00 0.00 C ATOM 1754 CD1 PHE A 117 16.026 -1.247 -0.511 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.651 0.626 0.004 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.695 -1.083 0.673 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.316 0.787 1.201 1.00 0.00 C ATOM 1758 CZ PHE A 117 16.342 -0.068 1.535 1.00 0.00 C ATOM 0 HA PHE A 117 16.097 -0.717 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.391 0.027 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.034 -1.597 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.306 -2.050 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.852 1.303 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.502 -1.752 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.033 1.582 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.868 0.057 2.470 1.00 0.00 H new ATOM 1768 N GLN A 118 15.022 -1.142 -5.470 1.00 0.00 N ATOM 1769 CA GLN A 118 14.509 -1.314 -6.803 1.00 0.00 C ATOM 1770 C GLN A 118 13.816 -2.647 -6.956 1.00 0.00 C ATOM 1771 O GLN A 118 13.551 -3.319 -5.955 1.00 0.00 O ATOM 1772 CB GLN A 118 15.603 -1.079 -7.857 1.00 0.00 C ATOM 1773 CG GLN A 118 16.883 -1.846 -7.629 1.00 0.00 C ATOM 1774 CD GLN A 118 17.897 -1.579 -8.710 1.00 0.00 C ATOM 1775 OE1 GLN A 118 18.684 -0.639 -8.616 1.00 0.00 O ATOM 1776 NE2 GLN A 118 17.918 -2.404 -9.719 1.00 0.00 N ATOM 0 H GLN A 118 15.808 -1.749 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 118 13.749 -0.553 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 118 15.206 -1.346 -8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 118 15.835 -0.014 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.303 -1.572 -6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.665 -2.913 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.249 -3.173 -9.763 1.00 0.00 H new ATOM 0 HE22 GLN A 118 18.603 -2.281 -10.464 1.00 0.00 H new ATOM 1785 N HIS A 119 13.483 -2.996 -8.205 1.00 0.00 N ATOM 1786 CA HIS A 119 12.703 -4.194 -8.548 1.00 0.00 C ATOM 1787 C HIS A 119 11.281 -4.004 -8.068 1.00 0.00 C ATOM 1788 O HIS A 119 10.529 -4.950 -7.794 1.00 0.00 O ATOM 1789 CB HIS A 119 13.336 -5.507 -8.037 1.00 0.00 C ATOM 1790 CG HIS A 119 14.602 -5.883 -8.750 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.859 -5.424 -8.588 1.00 0.00 N flip ATOM 1792 CD2 HIS A 119 14.670 -6.814 -9.762 1.00 0.00 C flip ATOM 1793 CE1 HIS A 119 16.701 -6.053 -9.496 1.00 0.00 C flip ATOM 1794 NE2 HIS A 119 15.931 -6.884 -10.178 1.00 0.00 N flip ATOM 0 H HIS A 119 13.752 -2.445 -9.020 1.00 0.00 H new ATOM 0 HA HIS A 119 12.702 -4.305 -9.632 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.545 -5.409 -6.972 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.613 -6.316 -8.147 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.842 -7.388 -10.151 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.762 -5.896 -9.619 1.00 0.00 H new ATOM 0 HE2 HIS A 119 16.260 -7.497 -10.924 1.00 0.00 H new ATOM 1802 N VAL A 120 10.917 -2.752 -8.018 1.00 0.00 N ATOM 1803 CA VAL A 120 9.615 -2.330 -7.635 1.00 0.00 C ATOM 1804 C VAL A 120 8.865 -1.977 -8.898 1.00 0.00 C ATOM 1805 O VAL A 120 9.483 -1.670 -9.920 1.00 0.00 O ATOM 1806 CB VAL A 120 9.663 -1.120 -6.652 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.416 -1.509 -5.386 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.318 0.105 -7.300 1.00 0.00 C ATOM 0 H VAL A 120 11.543 -1.981 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 120 9.108 -3.133 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 120 8.638 -0.853 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.445 -0.659 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 120 9.909 -2.344 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.434 -1.803 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.334 0.929 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.338 -0.141 -7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.748 0.399 -8.181 1.00 0.00 H new ATOM 1818 N ASP A 121 7.580 -2.042 -8.848 1.00 0.00 N ATOM 1819 CA ASP A 121 6.753 -1.799 -10.050 1.00 0.00 C ATOM 1820 C ASP A 121 6.670 -0.326 -10.363 1.00 0.00 C ATOM 1821 O ASP A 121 6.785 0.102 -11.517 1.00 0.00 O ATOM 1822 CB ASP A 121 5.333 -2.355 -9.845 1.00 0.00 C ATOM 1823 CG ASP A 121 4.351 -2.007 -10.969 1.00 0.00 C ATOM 1824 OD1 ASP A 121 3.794 -0.879 -10.977 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.083 -2.875 -11.834 1.00 0.00 O ATOM 0 H ASP A 121 7.050 -2.259 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 121 7.228 -2.310 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.390 -3.439 -9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 121 4.939 -1.974 -8.903 1.00 0.00 H new ATOM 1830 N LYS A 122 6.526 0.438 -9.336 1.00 0.00 N ATOM 1831 CA LYS A 122 6.261 1.832 -9.450 1.00 0.00 C ATOM 1832 C LYS A 122 6.785 2.475 -8.197 1.00 0.00 C ATOM 1833 O LYS A 122 7.087 1.781 -7.221 1.00 0.00 O ATOM 1834 CB LYS A 122 4.740 2.021 -9.571 1.00 0.00 C ATOM 1835 CG LYS A 122 4.235 3.402 -9.907 1.00 0.00 C ATOM 1836 CD LYS A 122 2.697 3.456 -9.932 1.00 0.00 C ATOM 1837 CE LYS A 122 2.055 2.712 -11.133 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.107 1.215 -11.087 1.00 0.00 N ATOM 0 H LYS A 122 6.590 0.106 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 122 6.736 2.280 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.375 1.334 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.287 1.718 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.612 4.115 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.626 3.706 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.314 3.027 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.381 4.499 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.011 3.017 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.549 3.044 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.352 0.823 -11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.030 0.889 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.975 0.893 -10.107 1.00 0.00 H new ATOM 1852 N TYR A 123 6.950 3.737 -8.224 1.00 0.00 N ATOM 1853 CA TYR A 123 7.397 4.440 -7.077 1.00 0.00 C ATOM 1854 C TYR A 123 6.437 5.570 -6.824 1.00 0.00 C ATOM 1855 O TYR A 123 5.842 6.104 -7.762 1.00 0.00 O ATOM 1856 CB TYR A 123 8.848 4.938 -7.237 1.00 0.00 C ATOM 1857 CG TYR A 123 9.009 6.029 -8.239 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.106 5.757 -9.586 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.041 7.339 -7.828 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.234 6.769 -10.495 1.00 0.00 C ATOM 1861 CE2 TYR A 123 9.163 8.353 -8.716 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.258 8.074 -10.057 1.00 0.00 C ATOM 1863 OH TYR A 123 9.382 9.106 -10.966 1.00 0.00 O ATOM 0 H TYR A 123 6.780 4.321 -9.043 1.00 0.00 H new ATOM 0 HA TYR A 123 7.412 3.772 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.209 5.291 -6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.480 4.098 -7.526 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.081 4.733 -9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 123 8.967 7.565 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.316 6.547 -11.549 1.00 0.00 H new ATOM 0 HE2 TYR A 123 9.186 9.376 -8.372 1.00 0.00 H new ATOM 0 HH TYR A 123 9.381 9.963 -10.490 1.00 0.00 H new ATOM 1873 N VAL A 124 6.262 5.896 -5.593 1.00 0.00 N ATOM 1874 CA VAL A 124 5.384 6.966 -5.184 1.00 0.00 C ATOM 1875 C VAL A 124 6.172 7.850 -4.262 1.00 0.00 C ATOM 1876 O VAL A 124 7.289 7.506 -3.932 1.00 0.00 O ATOM 1877 CB VAL A 124 4.085 6.449 -4.470 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.200 5.665 -5.437 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.425 5.587 -3.254 1.00 0.00 C ATOM 0 H VAL A 124 6.728 5.426 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 124 5.041 7.507 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 124 3.534 7.325 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.308 5.319 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.908 6.309 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.751 4.807 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.504 5.245 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.012 4.725 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.002 6.176 -2.540 1.00 0.00 H new ATOM 1889 N LEU A 125 5.632 8.959 -3.859 1.00 0.00 N ATOM 1890 CA LEU A 125 6.360 9.861 -2.982 1.00 0.00 C ATOM 1891 C LEU A 125 6.335 9.349 -1.534 1.00 0.00 C ATOM 1892 O LEU A 125 5.417 8.612 -1.148 1.00 0.00 O ATOM 1893 CB LEU A 125 5.829 11.337 -3.117 1.00 0.00 C ATOM 1894 CG LEU A 125 4.464 11.770 -2.479 1.00 0.00 C ATOM 1895 CD1 LEU A 125 3.322 10.795 -2.718 1.00 0.00 C ATOM 1896 CD2 LEU A 125 4.606 12.141 -1.010 1.00 0.00 C ATOM 0 H LEU A 125 4.695 9.271 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 125 7.405 9.881 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.596 11.991 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.766 11.557 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 125 4.178 12.674 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.416 11.172 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.152 10.689 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.577 9.824 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.634 12.434 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.982 11.283 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.304 12.972 -0.911 1.00 0.00 H new