USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 809 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 71 GLN : amide:sc= -0.016 X(o=1.3,f=1.3) USER MOD Set 1.2: A 113 ASN : amide:sc= 1.28 K(o=1.3,f=-0.063) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.563 K(o=-0.93,f=-6.9!) USER MOD Set 2.2: A 31 SER OG : rot -82:sc= -0.37 USER MOD Set 3.1: A 18 GLN : amide:sc= -1.18 K(o=-2.1,f=-5!) USER MOD Set 3.2: A 95 TYR OH : rot 8:sc= -0.918 USER MOD Single : A 9 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.4!) USER MOD Single : A 10 MET CE :methyl -132:sc= -7.29! (180deg=-11.1!) USER MOD Single : A 13 MET CE :methyl -113:sc= -6.24! (180deg=-6.62!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.34 USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.102) USER MOD Single : A 20 MET CE :methyl 180:sc= -5.27! (180deg=-5.27!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0.1 (180deg=0.0834) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.68 X(o=-1.7,f=-2.1) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 107:sc= -6.41! USER MOD Single : A 43 SER OG : rot 180:sc= -0.293 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.65 F(o=-2.8,f=-1.7) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.755 F(o=-1.6,f=-0.75) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.11) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -174:sc= -5.88! (180deg=-5.97!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -4.651 -14.062 0.972 1.00 0.00 N ATOM 67 CA GLU A 8 -5.305 -12.967 1.668 1.00 0.00 C ATOM 68 C GLU A 8 -5.237 -11.689 0.829 1.00 0.00 C ATOM 69 O GLU A 8 -4.151 -11.211 0.506 1.00 0.00 O ATOM 70 CB GLU A 8 -4.688 -12.748 3.050 1.00 0.00 C ATOM 71 CG GLU A 8 -5.518 -13.436 4.136 1.00 0.00 C ATOM 72 CD GLU A 8 -6.877 -12.754 4.302 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.871 -11.552 4.644 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.892 -13.450 4.082 1.00 0.00 O ATOM 0 HA GLU A 8 -6.353 -13.229 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.670 -13.138 3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.623 -11.680 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.663 -14.485 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.977 -13.412 5.082 1.00 0.00 H new ATOM 81 N GLN A 9 -6.412 -11.172 0.500 1.00 0.00 N ATOM 82 CA GLN A 9 -6.499 -9.959 -0.295 1.00 0.00 C ATOM 83 C GLN A 9 -6.882 -8.771 0.589 1.00 0.00 C ATOM 84 O GLN A 9 -7.655 -8.920 1.535 1.00 0.00 O ATOM 85 CB GLN A 9 -7.493 -10.128 -1.446 1.00 0.00 C ATOM 86 CG GLN A 9 -8.848 -10.619 -0.933 1.00 0.00 C ATOM 87 CD GLN A 9 -8.904 -12.148 -0.911 1.00 0.00 C ATOM 88 OE1 GLN A 9 -8.012 -12.835 -1.380 1.00 0.00 O ATOM 89 NE2 GLN A 9 -10.000 -12.641 -0.340 1.00 0.00 N ATOM 0 H GLN A 9 -7.311 -11.571 0.770 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.519 -9.762 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.619 -9.178 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.096 -10.837 -2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.024 -10.231 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.644 -10.231 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.709 -12.009 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.131 -13.650 -0.275 1.00 0.00 H new ATOM 98 N MET A 10 -6.323 -7.618 0.251 1.00 0.00 N ATOM 99 CA MET A 10 -6.596 -6.405 1.003 1.00 0.00 C ATOM 100 C MET A 10 -6.666 -5.190 0.077 1.00 0.00 C ATOM 101 O MET A 10 -5.816 -5.021 -0.796 1.00 0.00 O ATOM 102 CB MET A 10 -5.496 -6.191 2.045 1.00 0.00 C ATOM 103 CG MET A 10 -5.669 -4.848 2.757 1.00 0.00 C ATOM 104 SD MET A 10 -5.133 -4.984 4.454 1.00 0.00 S ATOM 105 CE MET A 10 -5.558 -3.354 5.045 1.00 0.00 C ATOM 0 H MET A 10 -5.682 -7.498 -0.534 1.00 0.00 H new ATOM 0 HA MET A 10 -7.561 -6.517 1.498 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.520 -7.000 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.520 -6.227 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.091 -4.078 2.245 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.714 -4.539 2.720 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.713 -2.933 5.590 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.800 -2.712 4.198 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.421 -3.421 5.708 1.00 0.00 H new ATOM 115 N GLU A 11 -7.687 -4.374 0.299 1.00 0.00 N ATOM 116 CA GLU A 11 -7.878 -3.179 -0.505 1.00 0.00 C ATOM 117 C GLU A 11 -8.441 -2.045 0.354 1.00 0.00 C ATOM 118 O GLU A 11 -9.481 -2.202 0.992 1.00 0.00 O ATOM 119 CB GLU A 11 -8.789 -3.464 -1.702 1.00 0.00 C ATOM 120 CG GLU A 11 -10.071 -4.171 -1.259 1.00 0.00 C ATOM 121 CD GLU A 11 -9.816 -5.657 -1.000 1.00 0.00 C ATOM 122 OE1 GLU A 11 -9.301 -6.315 -1.929 1.00 0.00 O ATOM 123 OE2 GLU A 11 -10.142 -6.102 0.122 1.00 0.00 O ATOM 0 H GLU A 11 -8.390 -4.517 1.024 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.908 -2.867 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.040 -2.529 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.260 -4.083 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.455 -3.701 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.837 -4.058 -2.027 1.00 0.00 H new ATOM 130 N GLY A 12 -7.728 -0.929 0.344 1.00 0.00 N ATOM 131 CA GLY A 12 -8.143 0.231 1.115 1.00 0.00 C ATOM 132 C GLY A 12 -7.324 1.465 0.733 1.00 0.00 C ATOM 133 O GLY A 12 -6.247 1.345 0.150 1.00 0.00 O ATOM 0 H GLY A 12 -6.865 -0.803 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.202 0.426 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.024 0.026 2.179 1.00 0.00 H new ATOM 137 N MET A 13 -7.865 2.625 1.076 1.00 0.00 N ATOM 138 CA MET A 13 -7.198 3.880 0.776 1.00 0.00 C ATOM 139 C MET A 13 -5.814 3.936 1.427 1.00 0.00 C ATOM 140 O MET A 13 -5.684 3.737 2.634 1.00 0.00 O ATOM 141 CB MET A 13 -8.049 5.045 1.285 1.00 0.00 C ATOM 142 CG MET A 13 -8.927 5.613 0.168 1.00 0.00 C ATOM 143 SD MET A 13 -8.037 6.876 -0.725 1.00 0.00 S ATOM 144 CE MET A 13 -7.945 6.111 -2.335 1.00 0.00 C ATOM 0 H MET A 13 -8.758 2.722 1.559 1.00 0.00 H new ATOM 0 HA MET A 13 -7.074 3.954 -0.304 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.677 4.708 2.110 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.401 5.829 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.225 4.816 -0.513 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.842 6.030 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.908 5.867 -2.563 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.542 5.199 -2.339 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.329 6.800 -3.088 1.00 0.00 H new ATOM 154 N LEU A 14 -4.816 4.206 0.598 1.00 0.00 N ATOM 155 CA LEU A 14 -3.447 4.290 1.078 1.00 0.00 C ATOM 156 C LEU A 14 -2.690 5.343 0.266 1.00 0.00 C ATOM 157 O LEU A 14 -3.050 5.629 -0.874 1.00 0.00 O ATOM 158 CB LEU A 14 -2.788 2.909 1.060 1.00 0.00 C ATOM 159 CG LEU A 14 -2.446 2.311 2.427 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.699 2.172 3.293 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.704 0.982 2.273 1.00 0.00 C ATOM 0 H LEU A 14 -4.928 4.369 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.427 4.614 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.451 2.219 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.871 2.973 0.474 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.774 2.997 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.428 1.745 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.148 3.154 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.415 1.518 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.473 0.578 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.332 0.276 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.778 1.144 1.721 1.00 0.00 H new ATOM 173 N CYS A 15 -1.656 5.891 0.887 1.00 0.00 N ATOM 174 CA CYS A 15 -0.845 6.906 0.236 1.00 0.00 C ATOM 175 C CYS A 15 0.385 6.226 -0.366 1.00 0.00 C ATOM 176 O CYS A 15 1.380 6.011 0.325 1.00 0.00 O ATOM 177 CB CYS A 15 -0.461 8.028 1.203 1.00 0.00 C ATOM 178 SG CYS A 15 -0.566 9.647 0.356 1.00 0.00 S ATOM 0 H CYS A 15 -1.361 5.652 1.834 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.421 7.381 -0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.124 8.017 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.551 7.868 1.575 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.240 10.593 1.186 1.00 0.00 H new ATOM 184 N ARG A 16 0.277 5.905 -1.647 1.00 0.00 N ATOM 185 CA ARG A 16 1.369 5.253 -2.350 1.00 0.00 C ATOM 186 C ARG A 16 2.328 6.297 -2.926 1.00 0.00 C ATOM 187 O ARG A 16 1.915 7.172 -3.686 1.00 0.00 O ATOM 188 CB ARG A 16 0.845 4.371 -3.485 1.00 0.00 C ATOM 189 CG ARG A 16 1.997 3.704 -4.238 1.00 0.00 C ATOM 190 CD ARG A 16 1.768 3.755 -5.749 1.00 0.00 C ATOM 191 NE ARG A 16 2.113 5.097 -6.268 1.00 0.00 N ATOM 192 CZ ARG A 16 1.652 5.598 -7.423 1.00 0.00 C ATOM 193 NH1 ARG A 16 0.824 4.871 -8.185 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.019 6.826 -7.814 1.00 0.00 N ATOM 0 H ARG A 16 -0.550 6.084 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 16 1.898 4.626 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.180 3.608 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.255 4.973 -4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.934 4.203 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.094 2.667 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.376 2.997 -6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.727 3.525 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 16 2.741 5.677 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.544 3.937 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.473 5.252 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.649 7.379 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.669 7.207 -8.693 1.00 0.00 H new ATOM 208 N LYS A 17 3.590 6.171 -2.542 1.00 0.00 N ATOM 209 CA LYS A 17 4.611 7.093 -3.011 1.00 0.00 C ATOM 210 C LYS A 17 5.743 6.301 -3.669 1.00 0.00 C ATOM 211 O LYS A 17 6.652 5.830 -2.988 1.00 0.00 O ATOM 212 CB LYS A 17 5.077 8.001 -1.871 1.00 0.00 C ATOM 213 CG LYS A 17 6.098 9.025 -2.369 1.00 0.00 C ATOM 214 CD LYS A 17 7.174 9.285 -1.313 1.00 0.00 C ATOM 215 CE LYS A 17 8.093 10.433 -1.737 1.00 0.00 C ATOM 216 NZ LYS A 17 8.779 11.010 -0.560 1.00 0.00 N ATOM 0 H LYS A 17 3.929 5.444 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 17 4.203 7.759 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.220 8.517 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.519 7.398 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.563 8.663 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.592 9.958 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.703 9.525 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.763 8.381 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.830 10.071 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.511 11.205 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.584 11.588 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.113 11.606 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.123 10.243 0.052 1.00 0.00 H new ATOM 230 N GLN A 18 5.650 6.180 -4.985 1.00 0.00 N ATOM 231 CA GLN A 18 6.655 5.454 -5.742 1.00 0.00 C ATOM 232 C GLN A 18 8.030 6.100 -5.556 1.00 0.00 C ATOM 233 O GLN A 18 8.208 7.282 -5.843 1.00 0.00 O ATOM 234 CB GLN A 18 6.280 5.382 -7.224 1.00 0.00 C ATOM 235 CG GLN A 18 7.395 4.726 -8.041 1.00 0.00 C ATOM 236 CD GLN A 18 6.890 3.461 -8.740 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.724 3.328 -9.072 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.832 2.544 -8.943 1.00 0.00 N ATOM 0 H GLN A 18 4.894 6.573 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 18 6.700 4.433 -5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.356 4.815 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.089 6.386 -7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.770 5.431 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.231 4.476 -7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.790 2.721 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.597 1.664 -9.402 1.00 0.00 H new ATOM 247 N GLU A 19 8.966 5.294 -5.076 1.00 0.00 N ATOM 248 CA GLU A 19 10.319 5.773 -4.847 1.00 0.00 C ATOM 249 C GLU A 19 11.268 5.204 -5.904 1.00 0.00 C ATOM 250 O GLU A 19 12.044 5.943 -6.508 1.00 0.00 O ATOM 251 CB GLU A 19 10.794 5.420 -3.437 1.00 0.00 C ATOM 252 CG GLU A 19 9.788 5.892 -2.385 1.00 0.00 C ATOM 253 CD GLU A 19 10.306 7.128 -1.647 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.002 6.931 -0.628 1.00 0.00 O ATOM 255 OE2 GLU A 19 9.993 8.243 -2.119 1.00 0.00 O ATOM 0 H GLU A 19 8.814 4.313 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 19 10.319 6.860 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.932 4.342 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.764 5.881 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.836 6.122 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.600 5.090 -1.671 1.00 0.00 H new ATOM 262 N MET A 20 11.176 3.896 -6.095 1.00 0.00 N ATOM 263 CA MET A 20 12.016 3.220 -7.068 1.00 0.00 C ATOM 264 C MET A 20 11.183 2.320 -7.982 1.00 0.00 C ATOM 265 O MET A 20 10.246 1.665 -7.527 1.00 0.00 O ATOM 266 CB MET A 20 13.065 2.377 -6.339 1.00 0.00 C ATOM 267 CG MET A 20 14.161 3.262 -5.742 1.00 0.00 C ATOM 268 SD MET A 20 15.032 4.118 -7.044 1.00 0.00 S ATOM 269 CE MET A 20 15.992 2.770 -7.712 1.00 0.00 C ATOM 0 H MET A 20 10.532 3.286 -5.592 1.00 0.00 H new ATOM 0 HA MET A 20 12.506 3.975 -7.683 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.587 1.800 -5.547 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.508 1.662 -7.032 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.722 3.983 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.858 2.653 -5.166 1.00 0.00 H new ATOM 0 HE1 MET A 20 16.600 3.132 -8.541 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.642 2.366 -6.936 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.322 1.987 -8.068 1.00 0.00 H new ATOM 279 N GLU A 21 11.553 2.317 -9.254 1.00 0.00 N ATOM 280 CA GLU A 21 10.851 1.508 -10.236 1.00 0.00 C ATOM 281 C GLU A 21 11.715 0.317 -10.658 1.00 0.00 C ATOM 282 O GLU A 21 11.240 -0.585 -11.347 1.00 0.00 O ATOM 283 CB GLU A 21 10.444 2.347 -11.448 1.00 0.00 C ATOM 284 CG GLU A 21 9.847 1.468 -12.549 1.00 0.00 C ATOM 285 CD GLU A 21 8.768 2.223 -13.328 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.155 2.983 -14.241 1.00 0.00 O ATOM 287 OE2 GLU A 21 7.581 2.022 -12.993 1.00 0.00 O ATOM 0 H GLU A 21 12.330 2.862 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 21 9.939 1.126 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.717 3.101 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.313 2.880 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.635 1.147 -13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.420 0.567 -12.109 1.00 0.00 H new ATOM 294 N ALA A 22 12.967 0.353 -10.227 1.00 0.00 N ATOM 295 CA ALA A 22 13.901 -0.711 -10.552 1.00 0.00 C ATOM 296 C ALA A 22 15.305 -0.310 -10.095 1.00 0.00 C ATOM 297 O ALA A 22 15.615 0.877 -10.000 1.00 0.00 O ATOM 298 CB ALA A 22 13.838 -1.006 -12.052 1.00 0.00 C ATOM 0 H ALA A 22 13.356 1.103 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 22 13.634 -1.629 -10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.539 -1.804 -12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.828 -1.316 -12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.102 -0.108 -12.611 1.00 0.00 H new ATOM 304 N PHE A 23 16.116 -1.321 -9.824 1.00 0.00 N ATOM 305 CA PHE A 23 17.480 -1.088 -9.379 1.00 0.00 C ATOM 306 C PHE A 23 18.112 0.081 -10.138 1.00 0.00 C ATOM 307 O PHE A 23 18.306 0.006 -11.350 1.00 0.00 O ATOM 308 CB PHE A 23 18.272 -2.363 -9.678 1.00 0.00 C ATOM 309 CG PHE A 23 17.856 -3.567 -8.831 1.00 0.00 C ATOM 310 CD1 PHE A 23 18.248 -3.651 -7.531 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.095 -4.553 -9.377 1.00 0.00 C ATOM 312 CE1 PHE A 23 17.862 -4.769 -6.745 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.710 -5.670 -8.591 1.00 0.00 C ATOM 314 CZ PHE A 23 17.101 -5.755 -7.291 1.00 0.00 C ATOM 0 H PHE A 23 15.855 -2.304 -9.904 1.00 0.00 H new ATOM 0 HA PHE A 23 17.488 -0.844 -8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.152 -2.614 -10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.332 -2.167 -9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.852 -2.868 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 23 16.784 -4.486 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.173 -4.836 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.106 -6.453 -9.025 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.807 -6.605 -6.693 1.00 0.00 H new ATOM 324 N GLY A 24 18.416 1.133 -9.392 1.00 0.00 N ATOM 325 CA GLY A 24 19.022 2.316 -9.979 1.00 0.00 C ATOM 326 C GLY A 24 17.955 3.254 -10.548 1.00 0.00 C ATOM 327 O GLY A 24 18.026 4.467 -10.358 1.00 0.00 O ATOM 0 H GLY A 24 18.254 1.191 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.608 2.841 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 24 19.711 2.021 -10.770 1.00 0.00 H new ATOM 331 N LYS A 25 16.992 2.656 -11.233 1.00 0.00 N ATOM 332 CA LYS A 25 15.912 3.424 -11.830 1.00 0.00 C ATOM 333 C LYS A 25 15.156 4.173 -10.731 1.00 0.00 C ATOM 334 O LYS A 25 14.609 3.557 -9.818 1.00 0.00 O ATOM 335 CB LYS A 25 15.020 2.519 -12.683 1.00 0.00 C ATOM 336 CG LYS A 25 14.591 3.227 -13.970 1.00 0.00 C ATOM 337 CD LYS A 25 13.087 3.504 -13.968 1.00 0.00 C ATOM 338 CE LYS A 25 12.763 4.768 -13.169 1.00 0.00 C ATOM 339 NZ LYS A 25 11.700 5.548 -13.841 1.00 0.00 N ATOM 0 H LYS A 25 16.937 1.649 -11.388 1.00 0.00 H new ATOM 0 HA LYS A 25 16.310 4.175 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.556 1.602 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.138 2.229 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.137 4.165 -14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.850 2.611 -14.832 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.733 3.617 -14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.557 2.653 -13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.443 4.497 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.660 5.379 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.610 6.478 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.945 5.677 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.797 5.038 -13.769 1.00 0.00 H new ATOM 353 N LYS A 26 15.151 5.492 -10.855 1.00 0.00 N ATOM 354 CA LYS A 26 14.471 6.332 -9.884 1.00 0.00 C ATOM 355 C LYS A 26 13.041 6.598 -10.358 1.00 0.00 C ATOM 356 O LYS A 26 12.807 6.822 -11.544 1.00 0.00 O ATOM 357 CB LYS A 26 15.277 7.605 -9.620 1.00 0.00 C ATOM 358 CG LYS A 26 15.274 8.521 -10.845 1.00 0.00 C ATOM 359 CD LYS A 26 16.670 8.617 -11.463 1.00 0.00 C ATOM 360 CE LYS A 26 17.494 9.715 -10.787 1.00 0.00 C ATOM 361 NZ LYS A 26 18.888 9.698 -11.285 1.00 0.00 N ATOM 0 H LYS A 26 15.607 6.000 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 26 14.399 5.822 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.857 8.135 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.303 7.343 -9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.570 8.141 -11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.930 9.515 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.182 7.660 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.586 8.825 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.044 10.688 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.486 9.571 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.433 10.449 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.320 8.775 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.891 9.858 -12.313 1.00 0.00 H new ATOM 375 N ALA A 27 12.120 6.563 -9.405 1.00 0.00 N ATOM 376 CA ALA A 27 10.719 6.797 -9.710 1.00 0.00 C ATOM 377 C ALA A 27 10.543 8.232 -10.211 1.00 0.00 C ATOM 378 O ALA A 27 10.765 9.185 -9.465 1.00 0.00 O ATOM 379 CB ALA A 27 9.871 6.504 -8.471 1.00 0.00 C ATOM 0 H ALA A 27 12.317 6.376 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 27 10.382 6.128 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.820 6.680 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.009 5.465 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.179 7.159 -7.656 1.00 0.00 H new ATOM 385 N ALA A 28 10.145 8.341 -11.470 1.00 0.00 N ATOM 386 CA ALA A 28 9.937 9.644 -12.079 1.00 0.00 C ATOM 387 C ALA A 28 9.258 10.571 -11.069 1.00 0.00 C ATOM 388 O ALA A 28 9.860 11.539 -10.608 1.00 0.00 O ATOM 389 CB ALA A 28 9.121 9.482 -13.363 1.00 0.00 C ATOM 0 H ALA A 28 9.961 7.548 -12.085 1.00 0.00 H new ATOM 0 HA ALA A 28 10.890 10.097 -12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.965 10.459 -13.820 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.660 8.838 -14.058 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.156 9.033 -13.127 1.00 0.00 H new ATOM 395 N ASN A 29 8.013 10.242 -10.756 1.00 0.00 N ATOM 396 CA ASN A 29 7.246 11.034 -9.809 1.00 0.00 C ATOM 397 C ASN A 29 7.423 10.454 -8.404 1.00 0.00 C ATOM 398 O ASN A 29 6.887 9.390 -8.096 1.00 0.00 O ATOM 399 CB ASN A 29 5.754 11.004 -10.148 1.00 0.00 C ATOM 400 CG ASN A 29 5.102 12.361 -9.871 1.00 0.00 C ATOM 401 OD1 ASN A 29 5.567 13.149 -9.064 1.00 0.00 O ATOM 402 ND2 ASN A 29 4.002 12.587 -10.584 1.00 0.00 N ATOM 0 H ASN A 29 7.517 9.438 -11.141 1.00 0.00 H new ATOM 0 HA ASN A 29 7.607 12.061 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.621 10.740 -11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.259 10.232 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.493 13.464 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.668 11.884 -11.243 1.00 0.00 H new ATOM 409 N ARG A 30 8.177 11.178 -7.590 1.00 0.00 N ATOM 410 CA ARG A 30 8.431 10.749 -6.226 1.00 0.00 C ATOM 411 C ARG A 30 7.663 11.631 -5.240 1.00 0.00 C ATOM 412 O ARG A 30 8.253 12.208 -4.328 1.00 0.00 O ATOM 413 CB ARG A 30 9.924 10.810 -5.898 1.00 0.00 C ATOM 414 CG ARG A 30 10.392 9.516 -5.228 1.00 0.00 C ATOM 415 CD ARG A 30 11.914 9.498 -5.073 1.00 0.00 C ATOM 416 NE ARG A 30 12.356 10.664 -4.275 1.00 0.00 N ATOM 417 CZ ARG A 30 13.637 11.020 -4.111 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.611 10.304 -4.689 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.944 12.094 -3.370 1.00 0.00 N ATOM 0 H ARG A 30 8.620 12.059 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 30 8.093 9.717 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.494 10.977 -6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.121 11.656 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.922 9.419 -4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.073 8.659 -5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.227 8.574 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.388 9.518 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 30 11.640 11.232 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.377 9.488 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.586 10.575 -4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.202 12.640 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.919 12.365 -3.245 1.00 0.00 H new ATOM 433 N SER A 31 6.358 11.709 -5.456 1.00 0.00 N ATOM 434 CA SER A 31 5.504 12.511 -4.598 1.00 0.00 C ATOM 435 C SER A 31 4.434 11.629 -3.952 1.00 0.00 C ATOM 436 O SER A 31 4.197 10.507 -4.398 1.00 0.00 O ATOM 437 CB SER A 31 4.849 13.650 -5.383 1.00 0.00 C ATOM 438 OG SER A 31 4.817 13.385 -6.782 1.00 0.00 O ATOM 0 H SER A 31 5.872 11.229 -6.213 1.00 0.00 H new ATOM 0 HA SER A 31 6.123 12.952 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.833 13.803 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.395 14.576 -5.202 1.00 0.00 H new ATOM 0 HG SER A 31 5.685 13.610 -7.177 1.00 0.00 H new ATOM 444 N TRP A 32 3.816 12.168 -2.912 1.00 0.00 N ATOM 445 CA TRP A 32 2.777 11.444 -2.200 1.00 0.00 C ATOM 446 C TRP A 32 1.451 11.687 -2.923 1.00 0.00 C ATOM 447 O TRP A 32 1.120 12.825 -3.255 1.00 0.00 O ATOM 448 CB TRP A 32 2.737 11.850 -0.725 1.00 0.00 C ATOM 449 CG TRP A 32 3.895 11.292 0.105 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.086 11.856 0.345 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.922 10.028 0.801 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.877 11.052 1.140 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.146 9.905 1.427 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.945 9.021 0.899 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.506 8.790 2.194 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.321 7.914 1.669 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.549 7.775 2.305 1.00 0.00 C ATOM 0 H TRP A 32 4.015 13.099 -2.545 1.00 0.00 H new ATOM 0 HA TRP A 32 2.983 10.374 -2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.746 12.938 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.796 11.512 -0.291 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.389 12.820 -0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.823 11.261 1.458 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.981 9.096 0.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.471 8.717 2.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.606 7.111 1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.764 6.888 2.882 1.00 0.00 H new ATOM 468 N GLN A 33 0.726 10.600 -3.144 1.00 0.00 N ATOM 469 CA GLN A 33 -0.557 10.682 -3.822 1.00 0.00 C ATOM 470 C GLN A 33 -1.509 9.611 -3.285 1.00 0.00 C ATOM 471 O GLN A 33 -1.122 8.454 -3.127 1.00 0.00 O ATOM 472 CB GLN A 33 -0.386 10.554 -5.337 1.00 0.00 C ATOM 473 CG GLN A 33 0.519 11.661 -5.882 1.00 0.00 C ATOM 474 CD GLN A 33 -0.140 13.034 -5.726 1.00 0.00 C ATOM 475 OE1 GLN A 33 -1.352 13.173 -5.727 1.00 0.00 O ATOM 476 NE2 GLN A 33 0.724 14.036 -5.593 1.00 0.00 N ATOM 0 H GLN A 33 1.002 9.658 -2.866 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.991 11.661 -3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.040 9.580 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.361 10.604 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.473 11.649 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.735 11.474 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.727 13.849 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.384 14.991 -5.483 1.00 0.00 H new ATOM 485 N ASN A 34 -2.736 10.034 -3.020 1.00 0.00 N ATOM 486 CA ASN A 34 -3.746 9.126 -2.505 1.00 0.00 C ATOM 487 C ASN A 34 -4.084 8.086 -3.575 1.00 0.00 C ATOM 488 O ASN A 34 -4.795 8.384 -4.533 1.00 0.00 O ATOM 489 CB ASN A 34 -5.032 9.876 -2.152 1.00 0.00 C ATOM 490 CG ASN A 34 -4.846 10.720 -0.890 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.510 11.892 -0.939 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.083 10.062 0.241 1.00 0.00 N ATOM 0 H ASN A 34 -3.054 10.994 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.347 8.652 -1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.323 10.518 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.843 9.163 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.987 10.538 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.361 9.081 0.212 1.00 0.00 H new ATOM 499 N VAL A 35 -3.558 6.886 -3.375 1.00 0.00 N ATOM 500 CA VAL A 35 -3.794 5.800 -4.311 1.00 0.00 C ATOM 501 C VAL A 35 -4.345 4.590 -3.553 1.00 0.00 C ATOM 502 O VAL A 35 -3.724 4.112 -2.605 1.00 0.00 O ATOM 503 CB VAL A 35 -2.512 5.487 -5.085 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.775 4.462 -6.189 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.893 6.764 -5.658 1.00 0.00 C ATOM 0 H VAL A 35 -2.969 6.642 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.541 6.089 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.797 5.051 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.848 4.257 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.150 3.539 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.515 4.858 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.983 6.514 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.602 7.240 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.652 7.448 -4.844 1.00 0.00 H new ATOM 515 N TYR A 36 -5.505 4.131 -3.998 1.00 0.00 N ATOM 516 CA TYR A 36 -6.146 2.986 -3.374 1.00 0.00 C ATOM 517 C TYR A 36 -5.389 1.694 -3.689 1.00 0.00 C ATOM 518 O TYR A 36 -5.326 1.274 -4.844 1.00 0.00 O ATOM 519 CB TYR A 36 -7.547 2.904 -3.982 1.00 0.00 C ATOM 520 CG TYR A 36 -8.478 1.921 -3.269 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.035 2.257 -2.052 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.761 0.698 -3.844 1.00 0.00 C ATOM 523 CE1 TYR A 36 -9.911 1.332 -1.381 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.637 -0.227 -3.173 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.169 0.135 -1.975 1.00 0.00 C ATOM 526 OH TYR A 36 -10.997 -0.738 -1.341 1.00 0.00 O ATOM 0 H TYR A 36 -6.018 4.531 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.167 3.101 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.999 3.896 -3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.461 2.613 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.814 3.214 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.325 0.435 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.353 1.582 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.866 -1.187 -3.611 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.091 -1.550 -1.881 1.00 0.00 H new ATOM 536 N CYS A 37 -4.834 1.100 -2.643 1.00 0.00 N ATOM 537 CA CYS A 37 -4.085 -0.135 -2.794 1.00 0.00 C ATOM 538 C CYS A 37 -5.080 -1.294 -2.876 1.00 0.00 C ATOM 539 O CYS A 37 -5.984 -1.400 -2.048 1.00 0.00 O ATOM 540 CB CYS A 37 -3.076 -0.328 -1.659 1.00 0.00 C ATOM 541 SG CYS A 37 -1.371 -0.248 -2.318 1.00 0.00 S ATOM 0 H CYS A 37 -4.888 1.452 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.498 -0.096 -3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.218 0.442 -0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.242 -1.289 -1.173 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.822 0.877 -1.966 1.00 0.00 H new ATOM 547 N VAL A 38 -4.881 -2.134 -3.881 1.00 0.00 N ATOM 548 CA VAL A 38 -5.749 -3.281 -4.081 1.00 0.00 C ATOM 549 C VAL A 38 -4.897 -4.545 -4.210 1.00 0.00 C ATOM 550 O VAL A 38 -4.273 -4.775 -5.245 1.00 0.00 O ATOM 551 CB VAL A 38 -6.656 -3.046 -5.291 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.308 -4.352 -5.750 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.713 -1.983 -4.986 1.00 0.00 C ATOM 0 H VAL A 38 -4.131 -2.043 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.405 -3.418 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.036 -2.677 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.947 -4.157 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.534 -5.067 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.908 -4.764 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.344 -1.835 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.327 -2.311 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.222 -1.044 -4.730 1.00 0.00 H new ATOM 563 N LEU A 39 -4.897 -5.331 -3.143 1.00 0.00 N ATOM 564 CA LEU A 39 -4.131 -6.566 -3.124 1.00 0.00 C ATOM 565 C LEU A 39 -5.070 -7.747 -3.375 1.00 0.00 C ATOM 566 O LEU A 39 -6.215 -7.741 -2.926 1.00 0.00 O ATOM 567 CB LEU A 39 -3.332 -6.680 -1.824 1.00 0.00 C ATOM 568 CG LEU A 39 -2.462 -7.930 -1.679 1.00 0.00 C ATOM 569 CD1 LEU A 39 -0.997 -7.555 -1.449 1.00 0.00 C ATOM 570 CD2 LEU A 39 -2.998 -8.848 -0.578 1.00 0.00 C ATOM 0 H LEU A 39 -5.415 -5.137 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.393 -6.570 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.691 -5.803 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.030 -6.648 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.509 -8.488 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.401 -8.462 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.633 -6.973 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.912 -6.963 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.361 -9.729 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.002 -8.313 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.014 -9.157 -0.824 1.00 0.00 H new ATOM 582 N ARG A 40 -4.550 -8.734 -4.090 1.00 0.00 N ATOM 583 CA ARG A 40 -5.327 -9.920 -4.406 1.00 0.00 C ATOM 584 C ARG A 40 -4.478 -11.178 -4.216 1.00 0.00 C ATOM 585 O ARG A 40 -3.601 -11.214 -3.354 1.00 0.00 O ATOM 586 CB ARG A 40 -5.842 -9.874 -5.847 1.00 0.00 C ATOM 587 CG ARG A 40 -7.226 -10.516 -5.955 1.00 0.00 C ATOM 588 CD ARG A 40 -8.317 -9.548 -5.493 1.00 0.00 C ATOM 589 NE ARG A 40 -9.530 -10.302 -5.102 1.00 0.00 N ATOM 590 CZ ARG A 40 -10.704 -9.732 -4.799 1.00 0.00 C ATOM 591 NH1 ARG A 40 -10.831 -8.398 -4.839 1.00 0.00 N ATOM 592 NH2 ARG A 40 -11.750 -10.495 -4.455 1.00 0.00 N ATOM 0 H ARG A 40 -3.599 -8.736 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.180 -9.947 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.889 -8.840 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.144 -10.394 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.413 -10.815 -6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.259 -11.422 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.958 -8.958 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.556 -8.848 -6.293 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.468 -11.319 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.034 -7.817 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.725 -7.964 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.653 -11.510 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.644 -10.061 -4.224 1.00 0.00 H new ATOM 606 N ARG A 41 -4.767 -12.178 -5.034 1.00 0.00 N ATOM 607 CA ARG A 41 -4.041 -13.435 -4.967 1.00 0.00 C ATOM 608 C ARG A 41 -2.584 -13.229 -5.388 1.00 0.00 C ATOM 609 O ARG A 41 -2.167 -13.705 -6.443 1.00 0.00 O ATOM 610 CB ARG A 41 -4.682 -14.491 -5.869 1.00 0.00 C ATOM 611 CG ARG A 41 -4.552 -15.887 -5.257 1.00 0.00 C ATOM 612 CD ARG A 41 -3.253 -16.562 -5.702 1.00 0.00 C ATOM 613 NE ARG A 41 -3.553 -17.846 -6.374 1.00 0.00 N ATOM 614 CZ ARG A 41 -4.088 -18.909 -5.759 1.00 0.00 C ATOM 615 NH1 ARG A 41 -4.385 -18.849 -4.453 1.00 0.00 N ATOM 616 NH2 ARG A 41 -4.327 -20.033 -6.449 1.00 0.00 N ATOM 0 H ARG A 41 -5.495 -12.144 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.079 -13.785 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.735 -14.254 -6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.206 -14.474 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.574 -15.815 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.404 -16.499 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.707 -15.906 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.610 -16.735 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.339 -17.927 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.204 -17.994 -3.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.792 -19.659 -3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.101 -20.079 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.734 -20.842 -5.980 1.00 0.00 H new ATOM 630 N GLY A 42 -1.851 -12.521 -4.543 1.00 0.00 N ATOM 631 CA GLY A 42 -0.450 -12.246 -4.814 1.00 0.00 C ATOM 632 C GLY A 42 -0.301 -11.134 -5.854 1.00 0.00 C ATOM 633 O GLY A 42 0.340 -11.326 -6.886 1.00 0.00 O ATOM 0 H GLY A 42 -2.201 -12.129 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.052 -11.956 -3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.039 -13.152 -5.172 1.00 0.00 H new ATOM 637 N SER A 43 -0.904 -9.995 -5.546 1.00 0.00 N ATOM 638 CA SER A 43 -0.847 -8.852 -6.441 1.00 0.00 C ATOM 639 C SER A 43 -1.171 -7.569 -5.673 1.00 0.00 C ATOM 640 O SER A 43 -1.658 -7.623 -4.544 1.00 0.00 O ATOM 641 CB SER A 43 -1.809 -9.024 -7.618 1.00 0.00 C ATOM 642 OG SER A 43 -3.144 -9.271 -7.183 1.00 0.00 O ATOM 0 H SER A 43 -1.435 -9.839 -4.689 1.00 0.00 H new ATOM 0 HA SER A 43 0.164 -8.782 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.789 -8.127 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.473 -9.851 -8.244 1.00 0.00 H new ATOM 0 HG SER A 43 -3.729 -9.373 -7.963 1.00 0.00 H new ATOM 648 N LEU A 44 -0.889 -6.445 -6.315 1.00 0.00 N ATOM 649 CA LEU A 44 -1.145 -5.151 -5.706 1.00 0.00 C ATOM 650 C LEU A 44 -1.452 -4.128 -6.802 1.00 0.00 C ATOM 651 O LEU A 44 -0.540 -3.601 -7.437 1.00 0.00 O ATOM 652 CB LEU A 44 0.018 -4.747 -4.797 1.00 0.00 C ATOM 653 CG LEU A 44 -0.109 -3.386 -4.110 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.236 -3.398 -3.075 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.225 -2.953 -3.500 1.00 0.00 C ATOM 0 H LEU A 44 -0.486 -6.404 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.022 -5.201 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.134 -5.511 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.933 -4.749 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.373 -2.645 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.305 -2.419 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.180 -3.630 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.027 -4.154 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.107 -1.983 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.543 -3.689 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.977 -2.879 -4.285 1.00 0.00 H new ATOM 667 N GLY A 45 -2.740 -3.879 -6.991 1.00 0.00 N ATOM 668 CA GLY A 45 -3.178 -2.930 -7.999 1.00 0.00 C ATOM 669 C GLY A 45 -3.479 -1.566 -7.374 1.00 0.00 C ATOM 670 O GLY A 45 -3.846 -1.483 -6.203 1.00 0.00 O ATOM 0 H GLY A 45 -3.494 -4.318 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.407 -2.822 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.069 -3.310 -8.498 1.00 0.00 H new ATOM 674 N PHE A 46 -3.312 -0.530 -8.183 1.00 0.00 N ATOM 675 CA PHE A 46 -3.561 0.826 -7.723 1.00 0.00 C ATOM 676 C PHE A 46 -4.813 1.407 -8.383 1.00 0.00 C ATOM 677 O PHE A 46 -5.064 1.170 -9.564 1.00 0.00 O ATOM 678 CB PHE A 46 -2.348 1.665 -8.130 1.00 0.00 C ATOM 679 CG PHE A 46 -1.014 1.125 -7.610 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.742 1.152 -6.278 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.101 0.617 -8.480 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.495 0.650 -5.795 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.137 0.115 -7.998 1.00 0.00 C ATOM 684 CZ PHE A 46 1.409 0.142 -6.666 1.00 0.00 C ATOM 0 H PHE A 46 -3.007 -0.602 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.716 0.831 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.306 1.721 -9.218 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.484 2.683 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.467 1.556 -5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.317 0.595 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.711 0.671 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.862 -0.288 -8.689 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.350 -0.240 -6.299 1.00 0.00 H new ATOM 694 N TYR A 47 -5.565 2.158 -7.592 1.00 0.00 N ATOM 695 CA TYR A 47 -6.785 2.775 -8.085 1.00 0.00 C ATOM 696 C TYR A 47 -7.061 4.096 -7.364 1.00 0.00 C ATOM 697 O TYR A 47 -6.569 4.319 -6.259 1.00 0.00 O ATOM 698 CB TYR A 47 -7.913 1.790 -7.770 1.00 0.00 C ATOM 699 CG TYR A 47 -7.717 0.403 -8.383 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.758 -0.449 -7.872 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.499 0.002 -9.447 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.574 -1.755 -8.450 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.315 -1.304 -10.025 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.362 -2.118 -9.497 1.00 0.00 C ATOM 705 OH TYR A 47 -7.188 -3.352 -10.043 1.00 0.00 O ATOM 0 H TYR A 47 -5.353 2.353 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.703 2.990 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.001 1.689 -6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.855 2.205 -8.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.146 -0.136 -7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.249 0.668 -9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.827 -2.431 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.920 -1.630 -10.858 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.820 -3.475 -10.782 1.00 0.00 H new ATOM 715 N LYS A 48 -7.846 4.938 -8.020 1.00 0.00 N ATOM 716 CA LYS A 48 -8.193 6.231 -7.455 1.00 0.00 C ATOM 717 C LYS A 48 -8.697 6.039 -6.024 1.00 0.00 C ATOM 718 O LYS A 48 -8.048 6.467 -5.071 1.00 0.00 O ATOM 719 CB LYS A 48 -9.184 6.963 -8.363 1.00 0.00 C ATOM 720 CG LYS A 48 -9.453 8.380 -7.850 1.00 0.00 C ATOM 721 CD LYS A 48 -8.743 9.421 -8.717 1.00 0.00 C ATOM 722 CE LYS A 48 -9.745 10.199 -9.572 1.00 0.00 C ATOM 723 NZ LYS A 48 -9.625 11.652 -9.318 1.00 0.00 N ATOM 0 H LYS A 48 -8.251 4.750 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.313 6.871 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.788 7.009 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.120 6.406 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.526 8.573 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.113 8.468 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.189 10.112 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.016 8.927 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.569 9.993 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.759 9.867 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.312 12.165 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.816 11.846 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.663 11.968 -9.555 1.00 0.00 H new ATOM 737 N ASP A 49 -9.850 5.395 -5.917 1.00 0.00 N ATOM 738 CA ASP A 49 -10.449 5.141 -4.618 1.00 0.00 C ATOM 739 C ASP A 49 -11.289 3.864 -4.689 1.00 0.00 C ATOM 740 O ASP A 49 -11.311 3.188 -5.716 1.00 0.00 O ATOM 741 CB ASP A 49 -11.369 6.290 -4.201 1.00 0.00 C ATOM 742 CG ASP A 49 -10.653 7.593 -3.840 1.00 0.00 C ATOM 743 OD1 ASP A 49 -10.016 8.163 -4.752 1.00 0.00 O ATOM 744 OD2 ASP A 49 -10.759 7.990 -2.659 1.00 0.00 O ATOM 0 H ASP A 49 -10.386 5.041 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.644 5.041 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.067 6.490 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.961 5.969 -3.344 1.00 0.00 H new ATOM 749 N ALA A 50 -11.960 3.574 -3.584 1.00 0.00 N ATOM 750 CA ALA A 50 -12.800 2.390 -3.508 1.00 0.00 C ATOM 751 C ALA A 50 -13.919 2.497 -4.546 1.00 0.00 C ATOM 752 O ALA A 50 -14.594 1.511 -4.840 1.00 0.00 O ATOM 753 CB ALA A 50 -13.338 2.236 -2.085 1.00 0.00 C ATOM 0 H ALA A 50 -11.939 4.138 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.222 1.494 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.968 1.348 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.505 2.135 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.926 3.115 -1.821 1.00 0.00 H new ATOM 759 N LYS A 51 -14.081 3.701 -5.073 1.00 0.00 N ATOM 760 CA LYS A 51 -15.106 3.950 -6.073 1.00 0.00 C ATOM 761 C LYS A 51 -14.623 3.438 -7.431 1.00 0.00 C ATOM 762 O LYS A 51 -15.414 2.933 -8.226 1.00 0.00 O ATOM 763 CB LYS A 51 -15.504 5.427 -6.077 1.00 0.00 C ATOM 764 CG LYS A 51 -16.434 5.748 -4.906 1.00 0.00 C ATOM 765 CD LYS A 51 -15.663 5.779 -3.585 1.00 0.00 C ATOM 766 CE LYS A 51 -16.502 6.415 -2.475 1.00 0.00 C ATOM 767 NZ LYS A 51 -17.113 5.371 -1.623 1.00 0.00 N ATOM 0 H LYS A 51 -13.519 4.516 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.016 3.401 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.610 6.048 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.999 5.671 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.915 6.712 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.226 5.001 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.384 4.765 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.737 6.340 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.876 7.068 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.282 7.038 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.679 5.821 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.726 4.764 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.364 4.793 -1.191 1.00 0.00 H new ATOM 781 N ALA A 52 -13.326 3.588 -7.656 1.00 0.00 N ATOM 782 CA ALA A 52 -12.728 3.148 -8.905 1.00 0.00 C ATOM 783 C ALA A 52 -12.456 1.644 -8.833 1.00 0.00 C ATOM 784 O ALA A 52 -12.700 0.918 -9.797 1.00 0.00 O ATOM 785 CB ALA A 52 -11.458 3.957 -9.177 1.00 0.00 C ATOM 0 H ALA A 52 -12.673 4.008 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.409 3.321 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.010 3.627 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.709 5.015 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.749 3.806 -8.363 1.00 0.00 H new ATOM 791 N ALA A 53 -11.955 1.220 -7.682 1.00 0.00 N ATOM 792 CA ALA A 53 -11.648 -0.185 -7.472 1.00 0.00 C ATOM 793 C ALA A 53 -12.908 -1.019 -7.707 1.00 0.00 C ATOM 794 O ALA A 53 -12.835 -2.123 -8.245 1.00 0.00 O ATOM 795 CB ALA A 53 -11.075 -0.378 -6.067 1.00 0.00 C ATOM 0 H ALA A 53 -11.754 1.824 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.893 -0.523 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.845 -1.432 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.165 0.212 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.807 -0.052 -5.328 1.00 0.00 H new ATOM 801 N SER A 54 -14.035 -0.459 -7.293 1.00 0.00 N ATOM 802 CA SER A 54 -15.310 -1.138 -7.452 1.00 0.00 C ATOM 803 C SER A 54 -15.715 -1.153 -8.928 1.00 0.00 C ATOM 804 O SER A 54 -16.271 -2.138 -9.412 1.00 0.00 O ATOM 805 CB SER A 54 -16.399 -0.469 -6.610 1.00 0.00 C ATOM 806 OG SER A 54 -17.495 -1.345 -6.361 1.00 0.00 O ATOM 0 H SER A 54 -14.092 0.457 -6.848 1.00 0.00 H new ATOM 0 HA SER A 54 -15.197 -2.164 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.974 -0.142 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.757 0.423 -7.123 1.00 0.00 H new ATOM 0 HG SER A 54 -18.168 -0.882 -5.820 1.00 0.00 H new ATOM 812 N ALA A 55 -15.420 -0.051 -9.601 1.00 0.00 N ATOM 813 CA ALA A 55 -15.746 0.075 -11.011 1.00 0.00 C ATOM 814 C ALA A 55 -14.584 -0.464 -11.848 1.00 0.00 C ATOM 815 O ALA A 55 -14.536 -0.252 -13.059 1.00 0.00 O ATOM 816 CB ALA A 55 -16.068 1.536 -11.333 1.00 0.00 C ATOM 0 H ALA A 55 -14.958 0.763 -9.196 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.630 -0.514 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.313 1.630 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.918 1.862 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.203 2.158 -11.104 1.00 0.00 H new ATOM 822 N GLY A 56 -13.676 -1.151 -11.170 1.00 0.00 N ATOM 823 CA GLY A 56 -12.518 -1.722 -11.837 1.00 0.00 C ATOM 824 C GLY A 56 -11.852 -0.694 -12.754 1.00 0.00 C ATOM 825 O GLY A 56 -11.424 -1.028 -13.858 1.00 0.00 O ATOM 0 H GLY A 56 -13.719 -1.325 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.801 -2.070 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.821 -2.592 -12.420 1.00 0.00 H new ATOM 829 N VAL A 57 -11.783 0.534 -12.262 1.00 0.00 N ATOM 830 CA VAL A 57 -11.176 1.612 -13.023 1.00 0.00 C ATOM 831 C VAL A 57 -9.792 1.920 -12.449 1.00 0.00 C ATOM 832 O VAL A 57 -9.666 2.266 -11.275 1.00 0.00 O ATOM 833 CB VAL A 57 -12.102 2.830 -13.036 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.465 3.995 -13.796 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.469 2.474 -13.625 1.00 0.00 C ATOM 0 H VAL A 57 -12.138 0.806 -11.345 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.038 1.314 -14.062 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.254 3.146 -12.004 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.144 4.848 -13.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.528 4.274 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.269 3.694 -14.825 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.108 3.357 -13.622 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.343 2.120 -14.648 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.931 1.691 -13.024 1.00 0.00 H new ATOM 845 N PRO A 58 -8.761 1.778 -13.325 1.00 0.00 N ATOM 846 CA PRO A 58 -7.391 2.037 -12.917 1.00 0.00 C ATOM 847 C PRO A 58 -7.129 3.540 -12.797 1.00 0.00 C ATOM 848 O PRO A 58 -7.515 4.313 -13.673 1.00 0.00 O ATOM 849 CB PRO A 58 -6.532 1.367 -13.976 1.00 0.00 C ATOM 850 CG PRO A 58 -7.438 1.159 -15.178 1.00 0.00 C ATOM 851 CD PRO A 58 -8.873 1.370 -14.722 1.00 0.00 C ATOM 0 HA PRO A 58 -7.164 1.638 -11.928 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.676 1.990 -14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.138 0.417 -13.615 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.183 1.859 -15.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.310 0.155 -15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.370 2.134 -15.319 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.459 0.456 -14.822 1.00 0.00 H new ATOM 859 N TYR A 59 -6.474 3.909 -11.706 1.00 0.00 N ATOM 860 CA TYR A 59 -6.156 5.305 -11.461 1.00 0.00 C ATOM 861 C TYR A 59 -5.536 5.952 -12.701 1.00 0.00 C ATOM 862 O TYR A 59 -6.136 6.837 -13.310 1.00 0.00 O ATOM 863 CB TYR A 59 -5.128 5.311 -10.328 1.00 0.00 C ATOM 864 CG TYR A 59 -4.697 6.711 -9.885 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.649 7.679 -9.638 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.358 7.005 -9.732 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.244 8.997 -9.221 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.953 8.322 -9.315 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.916 9.253 -9.080 1.00 0.00 C ATOM 870 OH TYR A 59 -3.534 10.497 -8.686 1.00 0.00 O ATOM 0 H TYR A 59 -6.155 3.265 -10.982 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.057 5.866 -11.211 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.544 4.782 -9.471 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.247 4.755 -10.648 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.697 7.448 -9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.613 6.247 -9.925 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.978 9.764 -9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.908 8.565 -9.192 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.557 10.536 -8.627 1.00 0.00 H new ATOM 880 N HIS A 60 -4.342 5.486 -13.037 1.00 0.00 N ATOM 881 CA HIS A 60 -3.634 6.009 -14.193 1.00 0.00 C ATOM 882 C HIS A 60 -3.394 4.882 -15.201 1.00 0.00 C ATOM 883 O HIS A 60 -2.290 4.734 -15.721 1.00 0.00 O ATOM 884 CB HIS A 60 -2.341 6.708 -13.768 1.00 0.00 C ATOM 885 CG HIS A 60 -2.552 8.079 -13.170 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.597 8.588 -12.457 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.621 9.097 -13.281 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.319 9.848 -12.147 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.094 10.166 -12.657 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.847 4.753 -12.529 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.244 6.767 -14.685 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.823 6.082 -13.041 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.687 6.798 -14.635 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.671 9.031 -13.790 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.957 10.512 -11.584 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.625 11.068 -12.573 1.00 0.00 H new ATOM 897 N GLY A 61 -4.448 4.116 -15.445 1.00 0.00 N ATOM 898 CA GLY A 61 -4.366 3.008 -16.380 1.00 0.00 C ATOM 899 C GLY A 61 -3.141 2.137 -16.093 1.00 0.00 C ATOM 900 O GLY A 61 -2.574 1.536 -17.005 1.00 0.00 O ATOM 0 H GLY A 61 -5.363 4.242 -15.011 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.270 2.403 -16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.314 3.391 -17.399 1.00 0.00 H new ATOM 904 N GLU A 62 -2.769 2.096 -14.822 1.00 0.00 N ATOM 905 CA GLU A 62 -1.621 1.309 -14.404 1.00 0.00 C ATOM 906 C GLU A 62 -2.046 -0.130 -14.105 1.00 0.00 C ATOM 907 O GLU A 62 -3.230 -0.407 -13.921 1.00 0.00 O ATOM 908 CB GLU A 62 -0.936 1.941 -13.191 1.00 0.00 C ATOM 909 CG GLU A 62 0.182 2.891 -13.627 1.00 0.00 C ATOM 910 CD GLU A 62 1.334 2.881 -12.619 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.754 1.763 -12.248 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.768 3.991 -12.242 1.00 0.00 O ATOM 0 H GLU A 62 -3.242 2.595 -14.068 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.899 1.293 -15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.670 2.485 -12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.525 1.159 -12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.551 2.597 -14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.212 3.902 -13.724 1.00 0.00 H new ATOM 919 N VAL A 63 -1.055 -1.010 -14.066 1.00 0.00 N ATOM 920 CA VAL A 63 -1.311 -2.414 -13.793 1.00 0.00 C ATOM 921 C VAL A 63 -0.860 -2.742 -12.368 1.00 0.00 C ATOM 922 O VAL A 63 -0.184 -1.939 -11.727 1.00 0.00 O ATOM 923 CB VAL A 63 -0.631 -3.285 -14.851 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.632 -3.735 -15.917 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.554 -2.553 -15.485 1.00 0.00 C ATOM 0 H VAL A 63 -0.074 -0.777 -14.219 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.378 -2.627 -13.853 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.247 -4.176 -14.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.123 -4.353 -16.657 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.428 -4.313 -15.448 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.060 -2.860 -16.407 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.020 -3.194 -16.233 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.204 -1.636 -15.960 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.284 -2.306 -14.714 1.00 0.00 H new ATOM 935 N PRO A 64 -1.264 -3.954 -11.903 1.00 0.00 N ATOM 936 CA PRO A 64 -0.908 -4.399 -10.566 1.00 0.00 C ATOM 937 C PRO A 64 0.560 -4.824 -10.501 1.00 0.00 C ATOM 938 O PRO A 64 1.116 -5.299 -11.490 1.00 0.00 O ATOM 939 CB PRO A 64 -1.870 -5.536 -10.261 1.00 0.00 C ATOM 940 CG PRO A 64 -2.415 -5.993 -11.604 1.00 0.00 C ATOM 941 CD PRO A 64 -2.065 -4.931 -12.634 1.00 0.00 C ATOM 0 HA PRO A 64 -0.998 -3.608 -9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.360 -6.352 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.675 -5.202 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.983 -6.954 -11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.495 -6.132 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.506 -5.357 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.962 -4.474 -13.052 1.00 0.00 H new ATOM 949 N VAL A 65 1.146 -4.636 -9.328 1.00 0.00 N ATOM 950 CA VAL A 65 2.539 -4.994 -9.121 1.00 0.00 C ATOM 951 C VAL A 65 2.615 -6.375 -8.467 1.00 0.00 C ATOM 952 O VAL A 65 1.953 -6.627 -7.461 1.00 0.00 O ATOM 953 CB VAL A 65 3.243 -3.908 -8.306 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.216 -2.566 -9.042 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.626 -3.781 -6.912 1.00 0.00 C ATOM 0 H VAL A 65 0.681 -4.240 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 65 3.062 -5.057 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 65 4.285 -4.203 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.723 -1.811 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.723 -2.667 -10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.182 -2.263 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.145 -3.002 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.572 -3.520 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.721 -4.730 -6.384 1.00 0.00 H new ATOM 965 N SER A 66 3.426 -7.235 -9.066 1.00 0.00 N ATOM 966 CA SER A 66 3.597 -8.584 -8.554 1.00 0.00 C ATOM 967 C SER A 66 4.464 -8.560 -7.294 1.00 0.00 C ATOM 968 O SER A 66 5.581 -8.046 -7.315 1.00 0.00 O ATOM 969 CB SER A 66 4.221 -9.498 -9.610 1.00 0.00 C ATOM 970 OG SER A 66 3.234 -10.225 -10.338 1.00 0.00 O ATOM 0 H SER A 66 3.972 -7.024 -9.901 1.00 0.00 H new ATOM 0 HA SER A 66 2.614 -8.982 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.815 -8.900 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.903 -10.197 -9.127 1.00 0.00 H new ATOM 0 HG SER A 66 3.672 -10.795 -11.003 1.00 0.00 H new ATOM 976 N LEU A 67 3.916 -9.122 -6.227 1.00 0.00 N ATOM 977 CA LEU A 67 4.625 -9.172 -4.959 1.00 0.00 C ATOM 978 C LEU A 67 5.560 -10.383 -4.950 1.00 0.00 C ATOM 979 O LEU A 67 5.556 -11.168 -4.003 1.00 0.00 O ATOM 980 CB LEU A 67 3.637 -9.148 -3.791 1.00 0.00 C ATOM 981 CG LEU A 67 2.590 -8.033 -3.820 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.381 -8.394 -2.956 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.206 -6.692 -3.413 1.00 0.00 C ATOM 0 H LEU A 67 2.989 -9.547 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 67 5.249 -8.287 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.118 -10.106 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.204 -9.063 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 67 2.233 -7.926 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.652 -7.585 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.926 -9.310 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.702 -8.545 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.441 -5.916 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.608 -6.768 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.009 -6.436 -4.104 1.00 0.00 H new ATOM 995 N ALA A 68 6.340 -10.496 -6.016 1.00 0.00 N ATOM 996 CA ALA A 68 7.278 -11.599 -6.142 1.00 0.00 C ATOM 997 C ALA A 68 8.567 -11.253 -5.394 1.00 0.00 C ATOM 998 O ALA A 68 9.239 -10.278 -5.726 1.00 0.00 O ATOM 999 CB ALA A 68 7.524 -11.893 -7.623 1.00 0.00 C ATOM 0 H ALA A 68 6.341 -9.843 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 68 6.869 -12.505 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.227 -12.720 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.582 -12.161 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.938 -11.008 -8.106 1.00 0.00 H new ATOM 1005 N ARG A 69 8.874 -12.073 -4.399 1.00 0.00 N ATOM 1006 CA ARG A 69 10.071 -11.866 -3.602 1.00 0.00 C ATOM 1007 C ARG A 69 10.002 -10.519 -2.881 1.00 0.00 C ATOM 1008 O ARG A 69 11.012 -10.027 -2.380 1.00 0.00 O ATOM 1009 CB ARG A 69 11.327 -11.908 -4.473 1.00 0.00 C ATOM 1010 CG ARG A 69 11.336 -13.152 -5.364 1.00 0.00 C ATOM 1011 CD ARG A 69 10.980 -12.795 -6.808 1.00 0.00 C ATOM 1012 NE ARG A 69 11.256 -13.945 -7.697 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.307 -13.867 -9.034 1.00 0.00 C ATOM 1014 NH1 ARG A 69 11.100 -12.692 -9.644 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.564 -14.963 -9.760 1.00 0.00 N ATOM 0 H ARG A 69 8.315 -12.881 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 69 10.125 -12.671 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.374 -11.012 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 69 12.214 -11.904 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.321 -13.619 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.625 -13.883 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.928 -12.518 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.558 -11.929 -7.130 1.00 0.00 H new ATOM 0 HE ARG A 69 11.418 -14.855 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.904 -11.858 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.139 -12.632 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.721 -15.857 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.603 -14.903 -10.778 1.00 0.00 H new ATOM 1029 N ALA A 70 8.801 -9.960 -2.851 1.00 0.00 N ATOM 1030 CA ALA A 70 8.588 -8.679 -2.200 1.00 0.00 C ATOM 1031 C ALA A 70 8.503 -8.889 -0.686 1.00 0.00 C ATOM 1032 O ALA A 70 8.389 -10.020 -0.219 1.00 0.00 O ATOM 1033 CB ALA A 70 7.330 -8.020 -2.768 1.00 0.00 C ATOM 0 H ALA A 70 7.965 -10.371 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 70 9.424 -8.007 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.170 -7.059 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.452 -7.866 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.469 -8.665 -2.590 1.00 0.00 H new ATOM 1039 N GLN A 71 8.562 -7.780 0.037 1.00 0.00 N ATOM 1040 CA GLN A 71 8.493 -7.828 1.487 1.00 0.00 C ATOM 1041 C GLN A 71 7.866 -6.544 2.032 1.00 0.00 C ATOM 1042 O GLN A 71 8.048 -5.469 1.461 1.00 0.00 O ATOM 1043 CB GLN A 71 9.878 -8.062 2.095 1.00 0.00 C ATOM 1044 CG GLN A 71 10.029 -9.507 2.574 1.00 0.00 C ATOM 1045 CD GLN A 71 9.803 -9.610 4.084 1.00 0.00 C ATOM 1046 OE1 GLN A 71 8.813 -10.146 4.555 1.00 0.00 O ATOM 1047 NE2 GLN A 71 10.775 -9.070 4.814 1.00 0.00 N ATOM 0 H GLN A 71 8.657 -6.843 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 71 7.860 -8.668 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.646 -7.838 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.032 -7.380 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.315 -10.144 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.025 -9.874 2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.577 -8.637 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.719 -9.089 5.832 1.00 0.00 H new ATOM 1056 N GLY A 72 7.140 -6.697 3.130 1.00 0.00 N ATOM 1057 CA GLY A 72 6.484 -5.562 3.758 1.00 0.00 C ATOM 1058 C GLY A 72 7.042 -5.314 5.161 1.00 0.00 C ATOM 1059 O GLY A 72 7.021 -6.206 6.008 1.00 0.00 O ATOM 0 H GLY A 72 6.992 -7.590 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.623 -4.672 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.411 -5.744 3.816 1.00 0.00 H new ATOM 1063 N SER A 73 7.528 -4.099 5.364 1.00 0.00 N ATOM 1064 CA SER A 73 8.091 -3.722 6.649 1.00 0.00 C ATOM 1065 C SER A 73 7.636 -2.311 7.027 1.00 0.00 C ATOM 1066 O SER A 73 7.353 -1.492 6.153 1.00 0.00 O ATOM 1067 CB SER A 73 9.618 -3.799 6.626 1.00 0.00 C ATOM 1068 OG SER A 73 10.164 -3.972 7.931 1.00 0.00 O ATOM 0 H SER A 73 7.544 -3.362 4.659 1.00 0.00 H new ATOM 0 HA SER A 73 7.730 -4.426 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.930 -4.628 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.020 -2.888 6.183 1.00 0.00 H new ATOM 0 HG SER A 73 11.141 -4.018 7.873 1.00 0.00 H new ATOM 1074 N VAL A 74 7.580 -2.070 8.328 1.00 0.00 N ATOM 1075 CA VAL A 74 7.165 -0.771 8.831 1.00 0.00 C ATOM 1076 C VAL A 74 8.290 0.241 8.607 1.00 0.00 C ATOM 1077 O VAL A 74 9.465 -0.087 8.759 1.00 0.00 O ATOM 1078 CB VAL A 74 6.750 -0.888 10.299 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.289 0.465 10.848 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.665 -1.951 10.480 1.00 0.00 C ATOM 0 H VAL A 74 7.815 -2.752 9.049 1.00 0.00 H new ATOM 0 HA VAL A 74 6.292 -0.411 8.287 1.00 0.00 H new ATOM 0 HB VAL A 74 7.624 -1.202 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.000 0.354 11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.103 1.185 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.435 0.820 10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.389 -2.013 11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.789 -1.681 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.043 -2.917 10.146 1.00 0.00 H new ATOM 1090 N ALA A 75 7.889 1.452 8.248 1.00 0.00 N ATOM 1091 CA ALA A 75 8.848 2.515 8.001 1.00 0.00 C ATOM 1092 C ALA A 75 8.980 3.380 9.256 1.00 0.00 C ATOM 1093 O ALA A 75 8.835 4.599 9.192 1.00 0.00 O ATOM 1094 CB ALA A 75 8.410 3.325 6.779 1.00 0.00 C ATOM 0 H ALA A 75 6.913 1.720 8.122 1.00 0.00 H new ATOM 0 HA ALA A 75 9.832 2.100 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.130 4.122 6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.361 2.672 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.427 3.759 6.963 1.00 0.00 H new ATOM 1223 N LYS A 82 2.268 8.838 9.882 1.00 0.00 N ATOM 1224 CA LYS A 82 2.038 7.812 10.885 1.00 0.00 C ATOM 1225 C LYS A 82 1.626 6.511 10.193 1.00 0.00 C ATOM 1226 O LYS A 82 1.032 6.538 9.116 1.00 0.00 O ATOM 1227 CB LYS A 82 1.032 8.299 11.929 1.00 0.00 C ATOM 1228 CG LYS A 82 1.656 9.357 12.841 1.00 0.00 C ATOM 1229 CD LYS A 82 0.580 10.096 13.640 1.00 0.00 C ATOM 1230 CE LYS A 82 1.162 11.330 14.333 1.00 0.00 C ATOM 1231 NZ LYS A 82 0.802 12.558 13.590 1.00 0.00 N ATOM 0 HA LYS A 82 2.956 7.604 11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.157 8.715 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.687 7.456 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.360 8.883 13.525 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.223 10.070 12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.230 10.396 12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.150 9.426 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.786 11.392 15.354 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.246 11.241 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.204 13.387 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.181 12.503 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.233 12.649 13.551 1.00 0.00 H new ATOM 1245 N HIS A 83 1.958 5.403 10.839 1.00 0.00 N ATOM 1246 CA HIS A 83 1.630 4.095 10.299 1.00 0.00 C ATOM 1247 C HIS A 83 1.994 4.047 8.814 1.00 0.00 C ATOM 1248 O HIS A 83 1.122 4.160 7.954 1.00 0.00 O ATOM 1249 CB HIS A 83 0.162 3.752 10.561 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.578 4.794 11.366 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.413 5.797 10.972 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.496 4.873 12.746 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.820 6.453 12.052 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -1.252 5.882 13.152 1.00 0.00 N flip ATOM 0 H HIS A 83 2.451 5.384 11.732 1.00 0.00 H new ATOM 0 HA HIS A 83 2.218 3.330 10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.345 3.618 9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.110 2.798 11.086 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.085 4.223 13.383 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.491 7.300 12.058 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.386 6.180 14.118 1.00 0.00 H new ATOM 1262 N VAL A 84 3.283 3.878 8.559 1.00 0.00 N ATOM 1263 CA VAL A 84 3.773 3.813 7.193 1.00 0.00 C ATOM 1264 C VAL A 84 4.782 2.669 7.071 1.00 0.00 C ATOM 1265 O VAL A 84 5.720 2.577 7.862 1.00 0.00 O ATOM 1266 CB VAL A 84 4.352 5.167 6.780 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.990 5.090 5.391 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.283 6.260 6.832 1.00 0.00 C ATOM 0 H VAL A 84 4.003 3.784 9.275 1.00 0.00 H new ATOM 0 HA VAL A 84 2.956 3.600 6.504 1.00 0.00 H new ATOM 0 HB VAL A 84 5.133 5.429 7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.394 6.066 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.794 4.354 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.237 4.795 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.721 7.212 6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.470 6.006 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.895 6.341 7.847 1.00 0.00 H new ATOM 1278 N PHE A 85 4.555 1.826 6.075 1.00 0.00 N ATOM 1279 CA PHE A 85 5.433 0.692 5.840 1.00 0.00 C ATOM 1280 C PHE A 85 6.031 0.744 4.432 1.00 0.00 C ATOM 1281 O PHE A 85 5.339 1.077 3.472 1.00 0.00 O ATOM 1282 CB PHE A 85 4.578 -0.570 5.971 1.00 0.00 C ATOM 1283 CG PHE A 85 3.357 -0.594 5.049 1.00 0.00 C ATOM 1284 CD1 PHE A 85 3.486 -1.014 3.762 1.00 0.00 C ATOM 1285 CD2 PHE A 85 2.144 -0.195 5.516 1.00 0.00 C ATOM 1286 CE1 PHE A 85 2.353 -1.036 2.906 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.011 -0.217 4.660 1.00 0.00 C ATOM 1288 CZ PHE A 85 1.140 -0.637 3.373 1.00 0.00 C ATOM 0 H PHE A 85 3.776 1.905 5.421 1.00 0.00 H new ATOM 0 HA PHE A 85 6.255 0.703 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.198 -1.440 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.242 -0.663 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.450 -1.331 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.042 0.139 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.455 -1.370 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.047 0.100 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.279 -0.654 2.722 1.00 0.00 H new ATOM 1298 N LYS A 86 7.311 0.410 4.355 1.00 0.00 N ATOM 1299 CA LYS A 86 8.010 0.414 3.081 1.00 0.00 C ATOM 1300 C LYS A 86 7.807 -0.935 2.388 1.00 0.00 C ATOM 1301 O LYS A 86 8.213 -1.972 2.910 1.00 0.00 O ATOM 1302 CB LYS A 86 9.480 0.789 3.278 1.00 0.00 C ATOM 1303 CG LYS A 86 10.253 0.685 1.962 1.00 0.00 C ATOM 1304 CD LYS A 86 11.715 1.097 2.151 1.00 0.00 C ATOM 1305 CE LYS A 86 11.861 2.620 2.139 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.294 3.109 3.468 1.00 0.00 N ATOM 0 H LYS A 86 7.882 0.135 5.154 1.00 0.00 H new ATOM 0 HA LYS A 86 7.596 1.177 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.551 1.805 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.930 0.131 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.205 -0.338 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.786 1.322 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.090 0.700 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.324 0.663 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.587 2.916 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.911 3.080 1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.388 4.144 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.587 2.843 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.211 2.684 3.713 1.00 0.00 H new ATOM 1320 N LEU A 87 7.179 -0.877 1.223 1.00 0.00 N ATOM 1321 CA LEU A 87 6.917 -2.081 0.454 1.00 0.00 C ATOM 1322 C LEU A 87 8.040 -2.284 -0.565 1.00 0.00 C ATOM 1323 O LEU A 87 8.032 -1.675 -1.634 1.00 0.00 O ATOM 1324 CB LEU A 87 5.522 -2.025 -0.172 1.00 0.00 C ATOM 1325 CG LEU A 87 5.202 -3.116 -1.196 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.047 -4.478 -0.516 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.969 -2.746 -2.024 1.00 0.00 C ATOM 0 H LEU A 87 6.844 -0.015 0.793 1.00 0.00 H new ATOM 0 HA LEU A 87 6.914 -2.955 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.784 -2.078 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.400 -1.055 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 87 6.042 -3.194 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.820 -5.235 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.975 -4.738 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.235 -4.432 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.763 -3.538 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.110 -2.624 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.154 -1.812 -2.555 1.00 0.00 H new ATOM 1339 N GLY A 88 8.981 -3.143 -0.198 1.00 0.00 N ATOM 1340 CA GLY A 88 10.109 -3.434 -1.067 1.00 0.00 C ATOM 1341 C GLY A 88 9.841 -4.679 -1.914 1.00 0.00 C ATOM 1342 O GLY A 88 9.728 -5.783 -1.383 1.00 0.00 O ATOM 0 H GLY A 88 8.985 -3.646 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.301 -2.581 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.006 -3.584 -0.466 1.00 0.00 H new ATOM 1346 N LEU A 89 9.747 -4.461 -3.217 1.00 0.00 N ATOM 1347 CA LEU A 89 9.495 -5.552 -4.143 1.00 0.00 C ATOM 1348 C LEU A 89 10.740 -6.437 -4.232 1.00 0.00 C ATOM 1349 O LEU A 89 11.175 -7.004 -3.232 1.00 0.00 O ATOM 1350 CB LEU A 89 9.028 -5.010 -5.496 1.00 0.00 C ATOM 1351 CG LEU A 89 7.645 -4.355 -5.515 1.00 0.00 C ATOM 1352 CD1 LEU A 89 7.019 -4.437 -6.908 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.737 -4.961 -4.442 1.00 0.00 C ATOM 0 H LEU A 89 9.841 -3.544 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 89 8.682 -6.180 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.759 -4.280 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.030 -5.830 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 89 7.764 -3.298 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.037 -3.964 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.659 -3.923 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.914 -5.482 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.760 -4.478 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.620 -6.029 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.183 -4.808 -3.459 1.00 0.00 H new ATOM 1365 N GLN A 90 11.277 -6.528 -5.440 1.00 0.00 N ATOM 1366 CA GLN A 90 12.463 -7.334 -5.673 1.00 0.00 C ATOM 1367 C GLN A 90 13.723 -6.538 -5.328 1.00 0.00 C ATOM 1368 O GLN A 90 14.815 -6.863 -5.793 1.00 0.00 O ATOM 1369 CB GLN A 90 12.510 -7.837 -7.117 1.00 0.00 C ATOM 1370 CG GLN A 90 12.623 -6.670 -8.100 1.00 0.00 C ATOM 1371 CD GLN A 90 11.857 -6.964 -9.391 1.00 0.00 C ATOM 1372 OE1 GLN A 90 12.376 -6.854 -10.490 1.00 0.00 O ATOM 1373 NE2 GLN A 90 10.597 -7.343 -9.198 1.00 0.00 N ATOM 0 H GLN A 90 10.912 -6.057 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 90 12.419 -8.206 -5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.359 -8.508 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.612 -8.415 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.232 -5.763 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.672 -6.484 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.225 -7.415 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.002 -7.562 -9.997 1.00 0.00 H new ATOM 1382 N ASP A 91 13.530 -5.508 -4.516 1.00 0.00 N ATOM 1383 CA ASP A 91 14.638 -4.662 -4.104 1.00 0.00 C ATOM 1384 C ASP A 91 14.809 -3.526 -5.114 1.00 0.00 C ATOM 1385 O ASP A 91 15.331 -2.465 -4.777 1.00 0.00 O ATOM 1386 CB ASP A 91 15.947 -5.453 -4.056 1.00 0.00 C ATOM 1387 CG ASP A 91 17.028 -4.859 -3.152 1.00 0.00 C ATOM 1388 OD1 ASP A 91 16.702 -3.881 -2.445 1.00 0.00 O ATOM 1389 OD2 ASP A 91 18.156 -5.396 -3.187 1.00 0.00 O ATOM 0 H ASP A 91 12.623 -5.240 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 91 14.415 -4.274 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.729 -6.467 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.344 -5.532 -5.068 1.00 0.00 H new ATOM 1394 N GLY A 92 14.360 -3.788 -6.333 1.00 0.00 N ATOM 1395 CA GLY A 92 14.457 -2.800 -7.394 1.00 0.00 C ATOM 1396 C GLY A 92 13.234 -1.882 -7.402 1.00 0.00 C ATOM 1397 O GLY A 92 13.262 -0.809 -8.004 1.00 0.00 O ATOM 0 H GLY A 92 13.928 -4.670 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.361 -2.206 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.545 -3.303 -8.357 1.00 0.00 H new ATOM 1401 N LYS A 93 12.188 -2.336 -6.728 1.00 0.00 N ATOM 1402 CA LYS A 93 10.957 -1.569 -6.650 1.00 0.00 C ATOM 1403 C LYS A 93 10.585 -1.357 -5.181 1.00 0.00 C ATOM 1404 O LYS A 93 10.383 -2.320 -4.443 1.00 0.00 O ATOM 1405 CB LYS A 93 9.854 -2.239 -7.472 1.00 0.00 C ATOM 1406 CG LYS A 93 9.411 -1.341 -8.629 1.00 0.00 C ATOM 1407 CD LYS A 93 8.011 -1.724 -9.115 1.00 0.00 C ATOM 1408 CE LYS A 93 8.012 -2.008 -10.618 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.234 -3.233 -10.914 1.00 0.00 N ATOM 0 H LYS A 93 12.168 -3.226 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 93 11.096 -0.582 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.214 -3.191 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.001 -2.460 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.416 -0.299 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.121 -1.425 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.663 -2.604 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.312 -0.917 -8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.586 -1.161 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.036 -2.126 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.244 -3.412 -11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.658 -4.042 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.252 -3.106 -10.595 1.00 0.00 H new ATOM 1423 N GLU A 94 10.507 -0.090 -4.800 1.00 0.00 N ATOM 1424 CA GLU A 94 10.163 0.260 -3.432 1.00 0.00 C ATOM 1425 C GLU A 94 8.999 1.253 -3.415 1.00 0.00 C ATOM 1426 O GLU A 94 8.899 2.113 -4.289 1.00 0.00 O ATOM 1427 CB GLU A 94 11.376 0.825 -2.690 1.00 0.00 C ATOM 1428 CG GLU A 94 11.099 0.932 -1.189 1.00 0.00 C ATOM 1429 CD GLU A 94 10.889 2.389 -0.773 1.00 0.00 C ATOM 1430 OE1 GLU A 94 11.903 3.120 -0.734 1.00 0.00 O ATOM 1431 OE2 GLU A 94 9.720 2.739 -0.502 1.00 0.00 O ATOM 0 H GLU A 94 10.676 0.706 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 94 9.850 -0.646 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.241 0.184 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.625 1.808 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.215 0.347 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.933 0.507 -0.630 1.00 0.00 H new ATOM 1438 N TYR A 95 8.148 1.101 -2.411 1.00 0.00 N ATOM 1439 CA TYR A 95 6.995 1.973 -2.269 1.00 0.00 C ATOM 1440 C TYR A 95 6.748 2.321 -0.799 1.00 0.00 C ATOM 1441 O TYR A 95 7.262 1.651 0.095 1.00 0.00 O ATOM 1442 CB TYR A 95 5.799 1.181 -2.801 1.00 0.00 C ATOM 1443 CG TYR A 95 5.793 1.009 -4.321 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.263 1.997 -5.125 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.317 -0.135 -4.888 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.257 1.835 -6.556 1.00 0.00 C ATOM 1447 CE2 TYR A 95 6.311 -0.297 -6.319 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.781 0.696 -7.082 1.00 0.00 C ATOM 1449 OH TYR A 95 5.776 0.543 -8.434 1.00 0.00 O ATOM 0 H TYR A 95 8.234 0.387 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 95 7.152 2.907 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.792 0.196 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.880 1.684 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.853 2.892 -4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.731 -0.909 -4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.846 2.601 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.718 -1.187 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 95 5.487 1.378 -8.857 1.00 0.00 H new ATOM 1459 N LEU A 96 5.962 3.368 -0.596 1.00 0.00 N ATOM 1460 CA LEU A 96 5.642 3.813 0.749 1.00 0.00 C ATOM 1461 C LEU A 96 4.134 4.047 0.859 1.00 0.00 C ATOM 1462 O LEU A 96 3.599 4.969 0.244 1.00 0.00 O ATOM 1463 CB LEU A 96 6.483 5.034 1.125 1.00 0.00 C ATOM 1464 CG LEU A 96 7.964 4.770 1.401 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.755 6.078 1.452 1.00 0.00 C ATOM 1466 CD2 LEU A 96 8.145 3.941 2.674 1.00 0.00 C ATOM 0 H LEU A 96 5.537 3.921 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 96 5.899 3.043 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.409 5.764 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.045 5.493 2.011 1.00 0.00 H new ATOM 0 HG LEU A 96 8.366 4.184 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.805 5.861 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.665 6.595 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.360 6.711 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.207 3.767 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.722 4.480 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.635 2.984 2.561 1.00 0.00 H new ATOM 1478 N PHE A 97 3.490 3.197 1.646 1.00 0.00 N ATOM 1479 CA PHE A 97 2.055 3.300 1.843 1.00 0.00 C ATOM 1480 C PHE A 97 1.725 3.644 3.297 1.00 0.00 C ATOM 1481 O PHE A 97 2.286 3.057 4.220 1.00 0.00 O ATOM 1482 CB PHE A 97 1.457 1.933 1.507 1.00 0.00 C ATOM 1483 CG PHE A 97 1.699 1.486 0.063 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.804 1.811 -0.908 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.808 0.764 -0.249 1.00 0.00 C ATOM 1486 CE1 PHE A 97 1.028 1.396 -2.247 1.00 0.00 C ATOM 1487 CE2 PHE A 97 3.032 0.350 -1.588 1.00 0.00 C ATOM 1488 CZ PHE A 97 2.137 0.675 -2.559 1.00 0.00 C ATOM 0 H PHE A 97 3.937 2.434 2.155 1.00 0.00 H new ATOM 0 HA PHE A 97 1.649 4.088 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.877 1.188 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.383 1.962 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.077 2.385 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.519 0.505 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.317 1.653 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.913 -0.223 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.308 0.360 -3.578 1.00 0.00 H new ATOM 1498 N GLN A 98 0.815 4.595 3.455 1.00 0.00 N ATOM 1499 CA GLN A 98 0.403 5.024 4.780 1.00 0.00 C ATOM 1500 C GLN A 98 -0.995 4.491 5.101 1.00 0.00 C ATOM 1501 O GLN A 98 -1.987 4.980 4.563 1.00 0.00 O ATOM 1502 CB GLN A 98 0.450 6.548 4.902 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.023 7.003 6.285 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.774 8.333 6.197 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.193 8.771 5.138 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.919 8.950 7.366 1.00 0.00 N ATOM 0 H GLN A 98 0.352 5.080 2.687 1.00 0.00 H new ATOM 0 HA GLN A 98 1.103 4.612 5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.467 6.899 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.178 6.997 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.672 6.243 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.834 7.108 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.544 8.528 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.405 9.845 7.413 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.028 3.496 5.975 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.288 2.891 6.373 1.00 0.00 C ATOM 1517 C ALA A 99 -3.075 3.882 7.233 1.00 0.00 C ATOM 1518 O ALA A 99 -2.502 4.816 7.791 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.014 1.575 7.103 1.00 0.00 C ATOM 0 H ALA A 99 -0.203 3.093 6.419 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.896 2.658 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.959 1.121 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.479 0.896 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.409 1.769 7.989 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.376 3.645 7.312 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.247 4.505 8.095 1.00 0.00 C ATOM 1527 C LYS A 100 -4.771 4.518 9.549 1.00 0.00 C ATOM 1528 O LYS A 100 -4.655 5.581 10.158 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.708 4.080 7.930 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.107 3.061 9.000 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.553 2.601 8.807 1.00 0.00 C ATOM 1532 CE LYS A 100 -9.333 2.679 10.121 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.832 4.054 10.347 1.00 0.00 N ATOM 0 H LYS A 100 -4.848 2.870 6.847 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.194 5.532 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.355 4.955 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.856 3.649 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.439 2.201 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.991 3.503 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.039 3.222 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.566 1.577 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.170 1.982 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.692 2.378 10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.359 4.089 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.028 4.712 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.460 4.328 9.565 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.508 3.326 10.063 1.00 0.00 N ATOM 1548 CA ASP A 101 -4.047 3.187 11.434 1.00 0.00 C ATOM 1549 C ASP A 101 -3.281 1.871 11.580 1.00 0.00 C ATOM 1550 O ASP A 101 -3.074 1.158 10.599 1.00 0.00 O ATOM 1551 CB ASP A 101 -5.224 3.160 12.411 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.954 4.493 12.583 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -6.499 4.977 11.568 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.949 4.999 13.726 1.00 0.00 O ATOM 0 H ASP A 101 -4.605 2.447 9.555 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.408 4.040 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.941 2.412 12.072 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.860 2.834 13.385 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.881 1.589 12.811 1.00 0.00 N ATOM 1560 CA GLU A 102 -2.143 0.371 13.097 1.00 0.00 C ATOM 1561 C GLU A 102 -2.884 -0.844 12.536 1.00 0.00 C ATOM 1562 O GLU A 102 -2.262 -1.832 12.150 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.898 0.218 14.600 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.904 1.267 15.103 1.00 0.00 C ATOM 1565 CD GLU A 102 0.480 0.652 15.318 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.150 0.391 14.296 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.837 0.457 16.500 1.00 0.00 O ATOM 0 H GLU A 102 -3.054 2.183 13.622 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.171 0.436 12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.841 0.318 15.138 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.515 -0.781 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.836 2.083 14.383 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.265 1.696 16.038 1.00 0.00 H new ATOM 1574 N ALA A 103 -4.204 -0.731 12.510 1.00 0.00 N ATOM 1575 CA ALA A 103 -5.037 -1.808 12.002 1.00 0.00 C ATOM 1576 C ALA A 103 -4.731 -2.029 10.520 1.00 0.00 C ATOM 1577 O ALA A 103 -4.127 -3.035 10.151 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.510 -1.474 12.250 1.00 0.00 C ATOM 0 H ALA A 103 -4.717 0.090 12.832 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.821 -2.740 12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.135 -2.281 11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.681 -1.356 13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.764 -0.546 11.738 1.00 0.00 H new ATOM 1584 N GLU A 104 -5.161 -1.072 9.710 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.940 -1.150 8.276 1.00 0.00 C ATOM 1586 C GLU A 104 -3.486 -1.529 7.983 1.00 0.00 C ATOM 1587 O GLU A 104 -3.221 -2.361 7.118 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.312 0.167 7.592 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.213 0.041 6.070 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.462 0.608 5.391 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.492 -0.101 5.415 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -6.358 1.736 4.864 1.00 0.00 O ATOM 0 H GLU A 104 -5.661 -0.239 10.020 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.587 -1.928 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.326 0.453 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.650 0.961 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.329 0.570 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.089 -1.007 5.795 1.00 0.00 H new ATOM 1599 N MET A 105 -2.584 -0.899 8.721 1.00 0.00 N ATOM 1600 CA MET A 105 -1.164 -1.159 8.550 1.00 0.00 C ATOM 1601 C MET A 105 -0.833 -2.619 8.866 1.00 0.00 C ATOM 1602 O MET A 105 -0.502 -3.392 7.968 1.00 0.00 O ATOM 1603 CB MET A 105 -0.362 -0.242 9.476 1.00 0.00 C ATOM 1604 CG MET A 105 0.988 0.119 8.854 1.00 0.00 C ATOM 1605 SD MET A 105 2.022 0.924 10.066 1.00 0.00 S ATOM 1606 CE MET A 105 2.976 -0.473 10.637 1.00 0.00 C ATOM 0 H MET A 105 -2.808 -0.209 9.438 1.00 0.00 H new ATOM 0 HA MET A 105 -0.900 -0.962 7.511 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.930 0.667 9.675 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.204 -0.735 10.435 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.480 -0.781 8.484 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.839 0.776 7.997 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.601 -0.168 11.476 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.302 -1.268 10.957 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.608 -0.837 9.827 1.00 0.00 H new ATOM 1616 N SER A 106 -0.934 -2.953 10.144 1.00 0.00 N ATOM 1617 CA SER A 106 -0.649 -4.306 10.589 1.00 0.00 C ATOM 1618 C SER A 106 -1.269 -5.316 9.621 1.00 0.00 C ATOM 1619 O SER A 106 -0.598 -6.246 9.175 1.00 0.00 O ATOM 1620 CB SER A 106 -1.171 -4.541 12.008 1.00 0.00 C ATOM 1621 OG SER A 106 -0.546 -5.662 12.628 1.00 0.00 O ATOM 0 H SER A 106 -1.209 -2.309 10.886 1.00 0.00 H new ATOM 0 HA SER A 106 0.432 -4.441 10.602 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.997 -3.650 12.611 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.249 -4.699 11.976 1.00 0.00 H new ATOM 0 HG SER A 106 -0.905 -5.778 13.533 1.00 0.00 H new ATOM 1627 N SER A 107 -2.542 -5.100 9.326 1.00 0.00 N ATOM 1628 CA SER A 107 -3.260 -5.980 8.419 1.00 0.00 C ATOM 1629 C SER A 107 -2.559 -6.015 7.060 1.00 0.00 C ATOM 1630 O SER A 107 -2.198 -7.084 6.571 1.00 0.00 O ATOM 1631 CB SER A 107 -4.715 -5.535 8.256 1.00 0.00 C ATOM 1632 OG SER A 107 -5.630 -6.508 8.750 1.00 0.00 O ATOM 0 H SER A 107 -3.095 -4.328 9.699 1.00 0.00 H new ATOM 0 HA SER A 107 -3.262 -6.983 8.845 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.867 -4.594 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.920 -5.347 7.202 1.00 0.00 H new ATOM 0 HG SER A 107 -6.547 -6.185 8.629 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.389 -4.832 6.487 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.739 -4.714 5.193 1.00 0.00 C ATOM 1640 C TRP A 108 -0.508 -5.623 5.198 1.00 0.00 C ATOM 1641 O TRP A 108 -0.461 -6.614 4.471 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.403 -3.255 4.880 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.481 -2.527 4.075 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.223 -1.477 4.451 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.911 -2.840 2.733 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.096 -1.092 3.454 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.900 -1.947 2.376 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.477 -3.845 1.850 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.540 -1.969 1.131 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.126 -3.853 0.610 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.124 -2.961 0.235 1.00 0.00 C ATOM 0 H TRP A 108 -2.690 -3.947 6.895 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.407 -5.037 4.395 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.241 -2.721 5.816 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.465 -3.220 4.326 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.147 -0.993 5.413 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.763 -0.321 3.500 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.704 -4.554 2.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.313 -1.259 0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -2.831 -4.605 -0.106 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.576 -3.033 -0.743 1.00 0.00 H new ATOM 1662 N LEU A 109 0.458 -5.254 6.027 1.00 0.00 N ATOM 1663 CA LEU A 109 1.685 -6.024 6.136 1.00 0.00 C ATOM 1664 C LEU A 109 1.345 -7.514 6.189 1.00 0.00 C ATOM 1665 O LEU A 109 1.908 -8.311 5.441 1.00 0.00 O ATOM 1666 CB LEU A 109 2.517 -5.540 7.325 1.00 0.00 C ATOM 1667 CG LEU A 109 3.334 -4.266 7.099 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.475 -4.515 6.111 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.436 -3.109 6.657 1.00 0.00 C ATOM 0 H LEU A 109 0.415 -4.432 6.629 1.00 0.00 H new ATOM 0 HA LEU A 109 2.310 -5.871 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.846 -5.373 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.200 -6.339 7.614 1.00 0.00 H new ATOM 0 HG LEU A 109 3.786 -3.978 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.040 -3.594 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.135 -5.288 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.064 -4.841 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.042 -2.216 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.935 -3.372 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.690 -2.913 7.427 1.00 0.00 H new ATOM 1681 N ARG A 110 0.424 -7.846 7.082 1.00 0.00 N ATOM 1682 CA ARG A 110 0.001 -9.227 7.243 1.00 0.00 C ATOM 1683 C ARG A 110 -0.523 -9.780 5.916 1.00 0.00 C ATOM 1684 O ARG A 110 -0.229 -10.918 5.554 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.093 -9.348 8.306 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.812 -10.695 8.203 1.00 0.00 C ATOM 1687 CD ARG A 110 -3.319 -10.500 8.026 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.989 -10.514 9.345 1.00 0.00 N ATOM 1689 CZ ARG A 110 -5.267 -10.163 9.542 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -6.021 -9.769 8.507 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -5.791 -10.206 10.775 1.00 0.00 N ATOM 0 H ARG A 110 -0.041 -7.182 7.702 1.00 0.00 H new ATOM 0 HA ARG A 110 0.868 -9.804 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.654 -9.241 9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.812 -8.538 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.413 -11.260 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.621 -11.283 9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.515 -9.555 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.725 -11.290 7.394 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.444 -10.809 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.622 -9.736 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.994 -9.502 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.217 -10.506 11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.764 -9.939 10.925 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.291 -8.948 5.227 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.859 -9.340 3.948 1.00 0.00 C ATOM 1707 C VAL A 111 -0.748 -9.393 2.897 1.00 0.00 C ATOM 1708 O VAL A 111 -0.491 -10.444 2.314 1.00 0.00 O ATOM 1709 CB VAL A 111 -2.997 -8.390 3.569 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.763 -8.912 2.351 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.939 -8.162 4.752 1.00 0.00 C ATOM 0 H VAL A 111 -1.533 -8.005 5.530 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.294 -10.338 4.011 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.557 -7.429 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.567 -8.219 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.083 -8.999 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.186 -9.891 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.738 -7.483 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.369 -9.114 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.382 -7.726 5.582 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.121 -8.245 2.687 1.00 0.00 N ATOM 1722 CA VAL A 112 0.956 -8.147 1.717 1.00 0.00 C ATOM 1723 C VAL A 112 1.883 -9.355 1.866 1.00 0.00 C ATOM 1724 O VAL A 112 2.334 -9.923 0.873 1.00 0.00 O ATOM 1725 CB VAL A 112 1.685 -6.811 1.876 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.910 -6.743 0.963 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.740 -5.637 1.614 1.00 0.00 C ATOM 0 H VAL A 112 -0.338 -7.375 3.172 1.00 0.00 H new ATOM 0 HA VAL A 112 0.558 -8.166 0.702 1.00 0.00 H new ATOM 0 HB VAL A 112 2.032 -6.739 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.410 -5.783 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.598 -7.549 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.596 -6.848 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.283 -4.699 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.350 -5.704 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.087 -5.670 2.323 1.00 0.00 H new ATOM 1737 N ASN A 113 2.140 -9.713 3.116 1.00 0.00 N ATOM 1738 CA ASN A 113 3.005 -10.843 3.408 1.00 0.00 C ATOM 1739 C ASN A 113 2.288 -12.140 3.027 1.00 0.00 C ATOM 1740 O ASN A 113 2.910 -13.069 2.515 1.00 0.00 O ATOM 1741 CB ASN A 113 3.340 -10.909 4.900 1.00 0.00 C ATOM 1742 CG ASN A 113 4.675 -10.220 5.192 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.732 -10.829 5.183 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.567 -8.920 5.452 1.00 0.00 N ATOM 0 H ASN A 113 1.764 -9.240 3.938 1.00 0.00 H new ATOM 0 HA ASN A 113 3.925 -10.720 2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.547 -10.432 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.386 -11.950 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.401 -8.371 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.650 -8.473 5.443 1.00 0.00 H new ATOM 1751 N ALA A 114 0.990 -12.161 3.292 1.00 0.00 N ATOM 1752 CA ALA A 114 0.182 -13.329 2.983 1.00 0.00 C ATOM 1753 C ALA A 114 0.049 -13.465 1.465 1.00 0.00 C ATOM 1754 O ALA A 114 -0.254 -14.544 0.959 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.175 -13.209 3.679 1.00 0.00 C ATOM 0 H ALA A 114 0.478 -11.388 3.717 1.00 0.00 H new ATOM 0 HA ALA A 114 0.660 -14.236 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.781 -14.085 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.027 -13.145 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.685 -12.312 3.329 1.00 0.00 H new ATOM 1761 N ALA A 115 0.283 -12.354 0.781 1.00 0.00 N ATOM 1762 CA ALA A 115 0.193 -12.336 -0.669 1.00 0.00 C ATOM 1763 C ALA A 115 1.537 -12.761 -1.265 1.00 0.00 C ATOM 1764 O ALA A 115 1.584 -13.603 -2.161 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.237 -10.944 -1.136 1.00 0.00 C ATOM 0 H ALA A 115 0.535 -11.461 1.204 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.560 -13.044 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.305 -10.930 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.210 -10.701 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.497 -10.208 -0.809 1.00 0.00 H new ATOM 1771 N ILE A 116 2.596 -12.160 -0.743 1.00 0.00 N ATOM 1772 CA ILE A 116 3.937 -12.467 -1.211 1.00 0.00 C ATOM 1773 C ILE A 116 4.093 -13.983 -1.340 1.00 0.00 C ATOM 1774 O ILE A 116 4.330 -14.495 -2.433 1.00 0.00 O ATOM 1775 CB ILE A 116 4.983 -11.815 -0.305 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.101 -10.317 -0.592 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.331 -12.529 -0.422 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.625 -9.564 0.632 1.00 0.00 C ATOM 0 H ILE A 116 2.553 -11.462 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 116 4.101 -12.045 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 116 4.652 -11.919 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.771 -10.157 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.127 -9.920 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.057 -12.046 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.217 -13.573 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.681 -12.478 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.699 -8.501 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.940 -9.707 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.610 -9.947 0.901 1.00 0.00 H new ATOM 1790 N ALA A 117 3.954 -14.659 -0.209 1.00 0.00 N ATOM 1791 CA ALA A 117 4.077 -16.106 -0.182 1.00 0.00 C ATOM 1792 C ALA A 117 3.399 -16.695 -1.421 1.00 0.00 C ATOM 1793 O ALA A 117 4.040 -17.375 -2.220 1.00 0.00 O ATOM 1794 CB ALA A 117 3.482 -16.645 1.120 1.00 0.00 C ATOM 0 H ALA A 117 3.757 -14.231 0.696 1.00 0.00 H new ATOM 0 HA ALA A 117 5.126 -16.402 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.574 -17.731 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.018 -16.219 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.429 -16.369 1.180 1.00 0.00 H new ATOM 1800 N SER A 118 2.110 -16.412 -1.540 1.00 0.00 N ATOM 1801 CA SER A 118 1.337 -16.905 -2.668 1.00 0.00 C ATOM 1802 C SER A 118 1.967 -16.433 -3.980 1.00 0.00 C ATOM 1803 O SER A 118 2.498 -17.239 -4.743 1.00 0.00 O ATOM 1804 CB SER A 118 -0.119 -16.443 -2.582 1.00 0.00 C ATOM 1805 OG SER A 118 -1.031 -17.494 -2.887 1.00 0.00 O ATOM 0 H SER A 118 1.582 -15.848 -0.874 1.00 0.00 H new ATOM 0 HA SER A 118 1.346 -17.995 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.321 -16.067 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.278 -15.614 -3.271 1.00 0.00 H new ATOM 0 HG SER A 118 -1.950 -17.160 -2.819 1.00 0.00 H new