USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 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 44 THR OG1 : rot -52:sc= 0.26 USER MOD Set 1.2: A 61 GLN : amide:sc= -1.15 K(o=-0.89,f=-3.2!) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.184 K(o=-3.3,f=-6) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -3.51! C(o=-3.3!,f=-8.1!) USER MOD Single : A 8 CYS SG : rot 14:sc= -0.159 USER MOD Single : A 14 ASN : amide:sc= 1.22 K(o=1.2,f=-0.046) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00344 USER MOD Single : A 18 MET CE :methyl 157:sc= -0.134 (180deg=-0.58) USER MOD Single : A 20 SER OG : rot 64:sc= 0.105 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 0.438 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.221 K(o=-0.22,f=-2!) USER MOD Single : A 69 HIS : no HD1:sc=-0.00905 X(o=-0.0091,f=0) USER MOD Single : A 70 TYR OH : rot -104:sc= -0.949 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 76 THR OG1 : rot -63:sc= -1.15! USER MOD Single : A 78 CYS SG : rot 150:sc= -2.46! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 86 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.289) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.34 K(o=-3.3,f=-6.7!) USER MOD Single : A 114 CYS SG : rot 110:sc= -0.456 USER MOD Single : A 115 HIS : no HE2:sc= -2.75 K(o=-2.8,f=-5.5!) USER MOD Single : A 124 GLN : amide:sc= -0.0826 K(o=-0.083,f=-1.8!) USER MOD Single : A 131 ASN : amide:sc=-0.00147 X(o=-0.0015,f=-0.0016) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -5.384 -4.913 -16.403 1.00 0.00 N ATOM 55 CA GLY A 5 -6.805 -5.143 -16.066 1.00 0.00 C ATOM 56 C GLY A 5 -7.321 -4.164 -15.002 1.00 0.00 C ATOM 57 O GLY A 5 -8.500 -3.820 -14.990 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.409 -5.047 -16.968 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.929 -6.164 -15.707 1.00 0.00 H new ATOM 61 N ALA A 6 -6.418 -3.735 -14.125 1.00 0.00 N ATOM 62 CA ALA A 6 -6.684 -2.672 -13.138 1.00 0.00 C ATOM 63 C ALA A 6 -5.672 -1.535 -13.302 1.00 0.00 C ATOM 64 O ALA A 6 -4.632 -1.717 -13.935 1.00 0.00 O ATOM 65 CB ALA A 6 -6.650 -3.217 -11.711 1.00 0.00 C ATOM 0 H ALA A 6 -5.472 -4.113 -14.072 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.686 -2.284 -13.321 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.850 -2.408 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.409 -3.991 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.667 -3.641 -11.507 1.00 0.00 H new ATOM 71 N ALA A 7 -6.041 -0.378 -12.749 1.00 0.00 N ATOM 72 CA ALA A 7 -5.338 0.911 -12.922 1.00 0.00 C ATOM 73 C ALA A 7 -6.055 2.031 -12.144 1.00 0.00 C ATOM 74 O ALA A 7 -7.212 2.346 -12.426 1.00 0.00 O ATOM 75 CB ALA A 7 -5.313 1.271 -14.415 1.00 0.00 C ATOM 0 H ALA A 7 -6.862 -0.301 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.323 0.813 -12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.796 2.221 -14.552 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.791 0.491 -14.969 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.334 1.357 -14.786 1.00 0.00 H new ATOM 81 N CYS A 8 -5.490 2.391 -10.996 1.00 0.00 N ATOM 82 CA CYS A 8 -6.018 3.486 -10.150 1.00 0.00 C ATOM 83 C CYS A 8 -4.926 4.448 -9.658 1.00 0.00 C ATOM 84 O CYS A 8 -3.741 4.166 -9.795 1.00 0.00 O ATOM 85 CB CYS A 8 -6.827 2.895 -8.990 1.00 0.00 C ATOM 86 SG CYS A 8 -8.411 2.183 -9.567 1.00 0.00 S ATOM 0 H CYS A 8 -4.657 1.942 -10.616 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.677 4.095 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.240 2.123 -8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.024 3.671 -8.251 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.390 2.070 -10.862 1.00 0.00 H new ATOM 92 N ASN A 9 -5.328 5.586 -9.106 1.00 0.00 N ATOM 93 CA ASN A 9 -4.397 6.586 -8.547 1.00 0.00 C ATOM 94 C ASN A 9 -4.419 6.577 -7.020 1.00 0.00 C ATOM 95 O ASN A 9 -5.468 6.502 -6.375 1.00 0.00 O ATOM 96 CB ASN A 9 -4.725 8.005 -9.009 1.00 0.00 C ATOM 97 CG ASN A 9 -4.329 8.248 -10.460 1.00 0.00 C ATOM 98 OD1 ASN A 9 -3.222 7.974 -10.912 1.00 0.00 O ATOM 99 ND2 ASN A 9 -5.264 8.755 -11.224 1.00 0.00 N ATOM 0 H ASN A 9 -6.310 5.852 -9.028 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.410 6.304 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.794 8.185 -8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.209 8.721 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.077 8.928 -12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.179 8.977 -10.831 1.00 0.00 H new ATOM 106 N VAL A 10 -3.214 6.587 -6.472 1.00 0.00 N ATOM 107 CA VAL A 10 -2.999 6.572 -5.013 1.00 0.00 C ATOM 108 C VAL A 10 -1.845 7.526 -4.655 1.00 0.00 C ATOM 109 O VAL A 10 -1.037 7.897 -5.501 1.00 0.00 O ATOM 110 CB VAL A 10 -2.822 5.145 -4.418 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.755 4.088 -5.022 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.390 4.614 -4.400 1.00 0.00 C ATOM 0 H VAL A 10 -2.351 6.606 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.910 6.936 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.114 5.308 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.565 3.123 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.792 4.378 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.572 4.011 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.378 3.614 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.005 4.572 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.764 5.276 -3.802 1.00 0.00 H new ATOM 122 N LEU A 11 -1.730 7.802 -3.369 1.00 0.00 N ATOM 123 CA LEU A 11 -0.672 8.657 -2.820 1.00 0.00 C ATOM 124 C LEU A 11 0.409 7.799 -2.161 1.00 0.00 C ATOM 125 O LEU A 11 0.134 6.996 -1.267 1.00 0.00 O ATOM 126 CB LEU A 11 -1.338 9.637 -1.853 1.00 0.00 C ATOM 127 CG LEU A 11 -0.930 11.102 -2.047 1.00 0.00 C ATOM 128 CD1 LEU A 11 -1.027 11.569 -3.501 1.00 0.00 C ATOM 129 CD2 LEU A 11 -1.866 11.966 -1.203 1.00 0.00 C ATOM 0 H LEU A 11 -2.370 7.440 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.164 9.226 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.419 9.557 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.099 9.339 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 11 0.114 11.196 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.724 12.614 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.371 10.960 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.055 11.466 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.598 13.016 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.895 11.815 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.774 11.685 -0.154 1.00 0.00 H new ATOM 141 N PHE A 12 1.548 7.811 -2.835 1.00 0.00 N ATOM 142 CA PHE A 12 2.777 7.102 -2.457 1.00 0.00 C ATOM 143 C PHE A 12 3.327 7.717 -1.179 1.00 0.00 C ATOM 144 O PHE A 12 3.772 8.867 -1.168 1.00 0.00 O ATOM 145 CB PHE A 12 3.829 7.207 -3.569 1.00 0.00 C ATOM 146 CG PHE A 12 5.211 6.680 -3.182 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.379 5.551 -2.374 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.335 7.424 -3.546 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.637 5.181 -1.950 1.00 0.00 C ATOM 150 CE2 PHE A 12 7.592 7.043 -3.130 1.00 0.00 C ATOM 151 CZ PHE A 12 7.757 5.912 -2.329 1.00 0.00 C ATOM 0 H PHE A 12 1.654 8.338 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 12 2.545 6.048 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.475 6.657 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.922 8.251 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.519 4.967 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.218 8.306 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.754 4.314 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.454 7.623 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.742 5.609 -2.008 1.00 0.00 H new ATOM 161 N ILE A 13 3.100 6.970 -0.114 1.00 0.00 N ATOM 162 CA ILE A 13 3.565 7.406 1.203 1.00 0.00 C ATOM 163 C ILE A 13 5.078 7.172 1.298 1.00 0.00 C ATOM 164 O ILE A 13 5.837 8.122 1.133 1.00 0.00 O ATOM 165 CB ILE A 13 2.726 6.779 2.328 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.209 6.990 2.167 1.00 0.00 C ATOM 167 CG2 ILE A 13 3.174 7.374 3.652 1.00 0.00 C ATOM 168 CD1 ILE A 13 0.759 8.425 1.862 1.00 0.00 C ATOM 0 H ILE A 13 2.608 6.077 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 13 3.412 8.477 1.336 1.00 0.00 H new ATOM 0 HB ILE A 13 2.892 5.702 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.855 6.341 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.717 6.663 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.589 6.940 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.230 7.156 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.025 8.454 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.327 8.454 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.072 9.084 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.212 8.757 0.928 1.00 0.00 H new ATOM 180 N ASN A 14 5.449 5.917 1.552 1.00 0.00 N ATOM 181 CA ASN A 14 6.835 5.412 1.642 1.00 0.00 C ATOM 182 C ASN A 14 6.838 3.944 2.084 1.00 0.00 C ATOM 183 O ASN A 14 5.843 3.421 2.592 1.00 0.00 O ATOM 184 CB ASN A 14 7.701 6.227 2.614 1.00 0.00 C ATOM 185 CG ASN A 14 8.857 6.902 1.871 1.00 0.00 C ATOM 186 OD1 ASN A 14 10.021 6.550 2.023 1.00 0.00 O ATOM 187 ND2 ASN A 14 8.560 7.862 1.028 1.00 0.00 N ATOM 0 H ASN A 14 4.761 5.180 1.710 1.00 0.00 H new ATOM 0 HA ASN A 14 7.266 5.511 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.090 6.982 3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.094 5.575 3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.300 8.320 0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.589 8.151 0.905 1.00 0.00 H new ATOM 194 N SER A 15 7.948 3.290 1.769 1.00 0.00 N ATOM 195 CA SER A 15 8.206 1.892 2.149 1.00 0.00 C ATOM 196 C SER A 15 9.143 1.845 3.351 1.00 0.00 C ATOM 197 O SER A 15 10.284 2.304 3.330 1.00 0.00 O ATOM 198 CB SER A 15 8.803 1.082 0.996 1.00 0.00 C ATOM 199 OG SER A 15 9.761 1.851 0.262 1.00 0.00 O ATOM 0 H SER A 15 8.708 3.713 1.236 1.00 0.00 H new ATOM 0 HA SER A 15 7.248 1.441 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.279 0.183 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.006 0.755 0.327 1.00 0.00 H new ATOM 0 HG SER A 15 10.127 1.308 -0.467 1.00 0.00 H new ATOM 205 N VAL A 16 8.584 1.302 4.417 1.00 0.00 N ATOM 206 CA VAL A 16 9.281 1.211 5.708 1.00 0.00 C ATOM 207 C VAL A 16 9.527 -0.259 6.043 1.00 0.00 C ATOM 208 O VAL A 16 8.605 -1.069 6.148 1.00 0.00 O ATOM 209 CB VAL A 16 8.559 2.003 6.813 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.504 3.489 6.452 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.138 1.511 7.053 1.00 0.00 C ATOM 0 H VAL A 16 7.642 0.911 4.424 1.00 0.00 H new ATOM 0 HA VAL A 16 10.256 1.692 5.635 1.00 0.00 H new ATOM 0 HB VAL A 16 9.133 1.850 7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.991 4.037 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.518 3.875 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.964 3.616 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.676 2.104 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.558 1.612 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.162 0.463 7.353 1.00 0.00 H new ATOM 221 N GLU A 17 10.781 -0.618 5.818 1.00 0.00 N ATOM 222 CA GLU A 17 11.293 -1.984 6.038 1.00 0.00 C ATOM 223 C GLU A 17 10.987 -2.454 7.469 1.00 0.00 C ATOM 224 O GLU A 17 11.647 -2.080 8.433 1.00 0.00 O ATOM 225 CB GLU A 17 12.793 -2.063 5.704 1.00 0.00 C ATOM 226 CG GLU A 17 13.616 -0.931 6.339 1.00 0.00 C ATOM 227 CD GLU A 17 14.814 -1.453 7.133 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.577 -2.078 8.188 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.941 -1.226 6.646 1.00 0.00 O ATOM 0 H GLU A 17 11.489 0.030 5.473 1.00 0.00 H new ATOM 0 HA GLU A 17 10.779 -2.666 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.184 -3.022 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.920 -2.032 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.968 -0.259 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.975 -0.345 6.998 1.00 0.00 H new ATOM 236 N MET A 18 9.889 -3.191 7.583 1.00 0.00 N ATOM 237 CA MET A 18 9.401 -3.674 8.889 1.00 0.00 C ATOM 238 C MET A 18 9.998 -5.044 9.249 1.00 0.00 C ATOM 239 O MET A 18 9.468 -5.778 10.086 1.00 0.00 O ATOM 240 CB MET A 18 7.871 -3.727 8.862 1.00 0.00 C ATOM 241 CG MET A 18 7.292 -2.914 10.020 1.00 0.00 C ATOM 242 SD MET A 18 7.534 -1.112 9.822 1.00 0.00 S ATOM 243 CE MET A 18 8.210 -0.721 11.420 1.00 0.00 C ATOM 0 H MET A 18 9.312 -3.473 6.791 1.00 0.00 H new ATOM 0 HA MET A 18 9.726 -2.980 9.664 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.503 -3.335 7.914 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.535 -4.762 8.931 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.226 -3.124 10.106 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.757 -3.237 10.951 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.784 0.204 11.356 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.399 -0.596 12.137 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.862 -1.531 11.747 1.00 0.00 H new ATOM 253 N GLU A 19 11.103 -5.366 8.571 1.00 0.00 N ATOM 254 CA GLU A 19 11.843 -6.636 8.685 1.00 0.00 C ATOM 255 C GLU A 19 10.875 -7.830 8.536 1.00 0.00 C ATOM 256 O GLU A 19 9.800 -7.674 7.954 1.00 0.00 O ATOM 257 CB GLU A 19 12.597 -6.630 10.020 1.00 0.00 C ATOM 258 CG GLU A 19 14.049 -7.077 9.838 1.00 0.00 C ATOM 259 CD GLU A 19 14.755 -7.221 11.187 1.00 0.00 C ATOM 260 OE1 GLU A 19 14.250 -8.015 12.012 1.00 0.00 O ATOM 261 OE2 GLU A 19 15.787 -6.539 11.364 1.00 0.00 O ATOM 0 H GLU A 19 11.528 -4.727 7.899 1.00 0.00 H new ATOM 0 HA GLU A 19 12.575 -6.742 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.573 -5.628 10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.096 -7.292 10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.076 -8.028 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.581 -6.353 9.221 1.00 0.00 H new ATOM 268 N SER A 20 11.300 -9.034 8.894 1.00 0.00 N ATOM 269 CA SER A 20 10.406 -10.212 8.923 1.00 0.00 C ATOM 270 C SER A 20 9.511 -10.214 10.173 1.00 0.00 C ATOM 271 O SER A 20 9.564 -11.102 11.024 1.00 0.00 O ATOM 272 CB SER A 20 11.212 -11.512 8.844 1.00 0.00 C ATOM 273 OG SER A 20 12.173 -11.545 9.902 1.00 0.00 O ATOM 0 H SER A 20 12.261 -9.234 9.172 1.00 0.00 H new ATOM 0 HA SER A 20 9.759 -10.149 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.545 -12.371 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.715 -11.582 7.880 1.00 0.00 H new ATOM 0 HG SER A 20 11.709 -11.568 10.765 1.00 0.00 H new ATOM 279 N LEU A 21 8.704 -9.161 10.290 1.00 0.00 N ATOM 280 CA LEU A 21 7.742 -9.065 11.400 1.00 0.00 C ATOM 281 C LEU A 21 6.663 -10.161 11.269 1.00 0.00 C ATOM 282 O LEU A 21 6.910 -11.330 11.564 1.00 0.00 O ATOM 283 CB LEU A 21 7.206 -7.625 11.505 1.00 0.00 C ATOM 284 CG LEU A 21 6.314 -7.398 12.736 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.086 -7.540 14.049 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.698 -6.006 12.682 1.00 0.00 C ATOM 0 H LEU A 21 8.691 -8.371 9.644 1.00 0.00 H new ATOM 0 HA LEU A 21 8.229 -9.263 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.047 -6.933 11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.638 -7.389 10.605 1.00 0.00 H new ATOM 0 HG LEU A 21 5.539 -8.164 12.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.411 -7.370 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.505 -8.544 14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.892 -6.807 14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.067 -5.853 13.558 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.490 -5.258 12.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.095 -5.910 11.779 1.00 0.00 H new ATOM 298 N THR A 22 5.451 -9.791 10.871 1.00 0.00 N ATOM 299 CA THR A 22 4.346 -10.758 10.696 1.00 0.00 C ATOM 300 C THR A 22 3.438 -10.311 9.535 1.00 0.00 C ATOM 301 O THR A 22 3.817 -10.443 8.374 1.00 0.00 O ATOM 302 CB THR A 22 3.651 -10.971 12.062 1.00 0.00 C ATOM 303 OG1 THR A 22 4.615 -11.489 12.982 1.00 0.00 O ATOM 304 CG2 THR A 22 2.448 -11.921 12.036 1.00 0.00 C ATOM 0 H THR A 22 5.197 -8.826 10.660 1.00 0.00 H new ATOM 0 HA THR A 22 4.702 -11.743 10.394 1.00 0.00 H new ATOM 0 HB THR A 22 3.260 -9.997 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.192 -11.629 13.855 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.029 -12.006 13.039 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.690 -11.529 11.358 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.768 -12.905 11.693 1.00 0.00 H new ATOM 312 N GLY A 23 2.348 -9.615 9.881 1.00 0.00 N ATOM 313 CA GLY A 23 1.362 -9.135 8.892 1.00 0.00 C ATOM 314 C GLY A 23 0.437 -8.088 9.527 1.00 0.00 C ATOM 315 O GLY A 23 0.752 -6.899 9.403 1.00 0.00 O ATOM 0 H GLY A 23 2.122 -9.368 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.878 -8.702 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.773 -9.973 8.520 1.00 0.00 H new ATOM 319 N PRO A 24 -0.536 -8.517 10.355 1.00 0.00 N ATOM 320 CA PRO A 24 -1.455 -7.608 11.077 1.00 0.00 C ATOM 321 C PRO A 24 -0.810 -6.884 12.279 1.00 0.00 C ATOM 322 O PRO A 24 -1.372 -6.772 13.360 1.00 0.00 O ATOM 323 CB PRO A 24 -2.628 -8.511 11.471 1.00 0.00 C ATOM 324 CG PRO A 24 -1.958 -9.860 11.734 1.00 0.00 C ATOM 325 CD PRO A 24 -0.879 -9.927 10.654 1.00 0.00 C ATOM 0 HA PRO A 24 -1.766 -6.771 10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.143 -8.138 12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.369 -8.578 10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.530 -9.909 12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.665 -10.685 11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.006 -10.478 11.004 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.244 -10.440 9.764 1.00 0.00 H new ATOM 333 N GLN A 25 0.397 -6.379 12.033 1.00 0.00 N ATOM 334 CA GLN A 25 1.212 -5.628 13.006 1.00 0.00 C ATOM 335 C GLN A 25 2.138 -4.637 12.289 1.00 0.00 C ATOM 336 O GLN A 25 2.113 -3.450 12.589 1.00 0.00 O ATOM 337 CB GLN A 25 2.063 -6.589 13.841 1.00 0.00 C ATOM 338 CG GLN A 25 2.640 -5.898 15.082 1.00 0.00 C ATOM 339 CD GLN A 25 1.689 -5.926 16.282 1.00 0.00 C ATOM 340 OE1 GLN A 25 0.467 -5.911 16.195 1.00 0.00 O ATOM 341 NE2 GLN A 25 2.276 -5.958 17.454 1.00 0.00 N ATOM 0 H GLN A 25 0.855 -6.480 11.127 1.00 0.00 H new ATOM 0 HA GLN A 25 0.533 -5.078 13.658 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.456 -7.441 14.147 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.877 -6.980 13.230 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.577 -6.382 15.357 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.876 -4.862 14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.294 -5.970 17.514 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.714 -5.971 18.305 1.00 0.00 H new ATOM 350 N ALA A 26 2.791 -5.103 11.226 1.00 0.00 N ATOM 351 CA ALA A 26 3.698 -4.274 10.418 1.00 0.00 C ATOM 352 C ALA A 26 2.972 -3.134 9.702 1.00 0.00 C ATOM 353 O ALA A 26 3.482 -2.030 9.681 1.00 0.00 O ATOM 354 CB ALA A 26 4.430 -5.164 9.428 1.00 0.00 C ATOM 0 H ALA A 26 2.710 -6.065 10.897 1.00 0.00 H new ATOM 0 HA ALA A 26 4.414 -3.799 11.088 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.105 -4.558 8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.004 -5.916 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.707 -5.658 8.779 1.00 0.00 H new ATOM 360 N ILE A 27 1.692 -3.355 9.410 1.00 0.00 N ATOM 361 CA ILE A 27 0.787 -2.327 8.856 1.00 0.00 C ATOM 362 C ILE A 27 0.567 -1.179 9.870 1.00 0.00 C ATOM 363 O ILE A 27 0.607 -0.016 9.487 1.00 0.00 O ATOM 364 CB ILE A 27 -0.532 -2.987 8.415 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.256 -4.148 7.446 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.425 -1.957 7.712 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.402 -5.162 7.405 1.00 0.00 C ATOM 0 H ILE A 27 1.241 -4.259 9.550 1.00 0.00 H new ATOM 0 HA ILE A 27 1.244 -1.874 7.976 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.035 -3.369 9.303 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.091 -3.750 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.662 -4.654 7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.356 -2.433 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.646 -1.139 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.909 -1.567 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.156 -5.961 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.551 -5.583 8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.316 -4.665 7.081 1.00 0.00 H new ATOM 379 N SER A 28 0.541 -1.514 11.161 1.00 0.00 N ATOM 380 CA SER A 28 0.416 -0.547 12.274 1.00 0.00 C ATOM 381 C SER A 28 1.780 0.046 12.621 1.00 0.00 C ATOM 382 O SER A 28 1.954 1.247 12.523 1.00 0.00 O ATOM 383 CB SER A 28 -0.173 -1.222 13.519 1.00 0.00 C ATOM 384 OG SER A 28 0.197 -0.585 14.745 1.00 0.00 O ATOM 0 H SER A 28 0.607 -2.481 11.478 1.00 0.00 H new ATOM 0 HA SER A 28 -0.254 0.249 11.950 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.260 -1.231 13.437 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.153 -2.262 13.547 1.00 0.00 H new ATOM 0 HG SER A 28 -0.211 -1.062 15.498 1.00 0.00 H new ATOM 390 N LYS A 29 2.767 -0.818 12.844 1.00 0.00 N ATOM 391 CA LYS A 29 4.135 -0.405 13.190 1.00 0.00 C ATOM 392 C LYS A 29 4.757 0.509 12.121 1.00 0.00 C ATOM 393 O LYS A 29 5.478 1.438 12.460 1.00 0.00 O ATOM 394 CB LYS A 29 4.969 -1.656 13.446 1.00 0.00 C ATOM 395 CG LYS A 29 5.833 -1.414 14.681 1.00 0.00 C ATOM 396 CD LYS A 29 6.510 -2.704 15.134 1.00 0.00 C ATOM 397 CE LYS A 29 7.303 -2.446 16.414 1.00 0.00 C ATOM 398 NZ LYS A 29 8.208 -3.570 16.677 1.00 0.00 N ATOM 0 H LYS A 29 2.646 -1.829 12.791 1.00 0.00 H new ATOM 0 HA LYS A 29 4.110 0.198 14.098 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.321 -2.519 13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.596 -1.878 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.589 -0.661 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.217 -1.019 15.489 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.762 -3.477 15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.173 -3.072 14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.874 -1.523 16.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.621 -2.313 17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.744 -3.387 17.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.654 -4.443 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.868 -3.678 15.881 1.00 0.00 H new ATOM 412 N ALA A 30 4.314 0.317 10.877 1.00 0.00 N ATOM 413 CA ALA A 30 4.587 1.185 9.722 1.00 0.00 C ATOM 414 C ALA A 30 3.741 2.458 9.741 1.00 0.00 C ATOM 415 O ALA A 30 4.301 3.520 9.932 1.00 0.00 O ATOM 416 CB ALA A 30 4.280 0.442 8.432 1.00 0.00 C ATOM 0 H ALA A 30 3.729 -0.482 10.633 1.00 0.00 H new ATOM 0 HA ALA A 30 5.640 1.461 9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.485 1.091 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.905 -0.449 8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.230 0.150 8.421 1.00 0.00 H new ATOM 422 N VAL A 31 2.411 2.332 9.803 1.00 0.00 N ATOM 423 CA VAL A 31 1.498 3.498 9.853 1.00 0.00 C ATOM 424 C VAL A 31 1.829 4.420 11.046 1.00 0.00 C ATOM 425 O VAL A 31 1.925 5.630 10.882 1.00 0.00 O ATOM 426 CB VAL A 31 0.029 3.023 9.856 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.962 4.096 10.306 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.412 2.643 8.447 1.00 0.00 C ATOM 0 H VAL A 31 1.933 1.431 9.820 1.00 0.00 H new ATOM 0 HA VAL A 31 1.644 4.100 8.956 1.00 0.00 H new ATOM 0 HB VAL A 31 0.014 2.185 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.973 3.690 10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.721 4.411 11.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.900 4.953 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.450 2.311 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.321 3.509 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.220 1.837 8.073 1.00 0.00 H new ATOM 438 N ALA A 32 2.148 3.820 12.183 1.00 0.00 N ATOM 439 CA ALA A 32 2.526 4.509 13.429 1.00 0.00 C ATOM 440 C ALA A 32 3.900 5.190 13.334 1.00 0.00 C ATOM 441 O ALA A 32 4.120 6.220 13.963 1.00 0.00 O ATOM 442 CB ALA A 32 2.495 3.524 14.602 1.00 0.00 C ATOM 0 H ALA A 32 2.154 2.804 12.277 1.00 0.00 H new ATOM 0 HA ALA A 32 1.795 5.300 13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.776 4.042 15.519 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.490 3.116 14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.198 2.712 14.414 1.00 0.00 H new ATOM 448 N GLU A 33 4.761 4.673 12.454 1.00 0.00 N ATOM 449 CA GLU A 33 6.069 5.293 12.162 1.00 0.00 C ATOM 450 C GLU A 33 6.099 6.020 10.800 1.00 0.00 C ATOM 451 O GLU A 33 7.159 6.389 10.302 1.00 0.00 O ATOM 452 CB GLU A 33 7.173 4.226 12.277 1.00 0.00 C ATOM 453 CG GLU A 33 7.349 3.282 11.080 1.00 0.00 C ATOM 454 CD GLU A 33 8.650 3.583 10.339 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.686 3.033 10.773 1.00 0.00 O ATOM 456 OE2 GLU A 33 8.584 4.346 9.354 1.00 0.00 O ATOM 0 H GLU A 33 4.580 3.820 11.924 1.00 0.00 H new ATOM 0 HA GLU A 33 6.250 6.072 12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.121 4.735 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.970 3.621 13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.352 2.248 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.504 3.389 10.399 1.00 0.00 H new ATOM 463 N THR A 34 4.932 6.163 10.179 1.00 0.00 N ATOM 464 CA THR A 34 4.822 6.744 8.832 1.00 0.00 C ATOM 465 C THR A 34 3.796 7.877 8.758 1.00 0.00 C ATOM 466 O THR A 34 4.175 8.993 8.428 1.00 0.00 O ATOM 467 CB THR A 34 4.582 5.629 7.808 1.00 0.00 C ATOM 468 OG1 THR A 34 5.702 4.743 7.807 1.00 0.00 O ATOM 469 CG2 THR A 34 4.437 6.179 6.402 1.00 0.00 C ATOM 0 H THR A 34 4.039 5.884 10.586 1.00 0.00 H new ATOM 0 HA THR A 34 5.768 7.224 8.581 1.00 0.00 H new ATOM 0 HB THR A 34 3.662 5.118 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.586 4.068 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.268 5.358 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.591 6.865 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.347 6.710 6.123 1.00 0.00 H new ATOM 477 N LEU A 35 2.584 7.647 9.258 1.00 0.00 N ATOM 478 CA LEU A 35 1.570 8.718 9.386 1.00 0.00 C ATOM 479 C LEU A 35 2.078 9.827 10.338 1.00 0.00 C ATOM 480 O LEU A 35 1.716 10.990 10.196 1.00 0.00 O ATOM 481 CB LEU A 35 0.217 8.099 9.787 1.00 0.00 C ATOM 482 CG LEU A 35 -0.341 8.432 11.180 1.00 0.00 C ATOM 483 CD1 LEU A 35 -1.097 9.763 11.200 1.00 0.00 C ATOM 484 CD2 LEU A 35 -1.265 7.323 11.654 1.00 0.00 C ATOM 0 H LEU A 35 2.270 6.733 9.584 1.00 0.00 H new ATOM 0 HA LEU A 35 1.406 9.213 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.523 8.406 9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.310 7.015 9.714 1.00 0.00 H new ATOM 0 HG LEU A 35 0.513 8.521 11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.472 9.954 12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.424 10.568 10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.934 9.716 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.654 7.571 12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.094 7.216 10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.711 6.386 11.707 1.00 0.00 H new ATOM 496 N VAL A 36 2.962 9.429 11.256 1.00 0.00 N ATOM 497 CA VAL A 36 3.613 10.321 12.239 1.00 0.00 C ATOM 498 C VAL A 36 5.137 10.429 11.995 1.00 0.00 C ATOM 499 O VAL A 36 5.803 11.202 12.684 1.00 0.00 O ATOM 500 CB VAL A 36 3.239 9.840 13.666 1.00 0.00 C ATOM 501 CG1 VAL A 36 3.903 10.611 14.815 1.00 0.00 C ATOM 502 CG2 VAL A 36 1.731 9.968 13.898 1.00 0.00 C ATOM 0 H VAL A 36 3.257 8.457 11.345 1.00 0.00 H new ATOM 0 HA VAL A 36 3.246 11.341 12.122 1.00 0.00 H new ATOM 0 HB VAL A 36 3.597 8.811 13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.575 10.196 15.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.986 10.523 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.619 11.662 14.760 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.487 9.626 14.904 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.433 11.011 13.787 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.198 9.359 13.168 1.00 0.00 H new ATOM 512 N ALA A 37 5.663 9.784 10.943 1.00 0.00 N ATOM 513 CA ALA A 37 7.094 9.858 10.575 1.00 0.00 C ATOM 514 C ALA A 37 7.581 11.316 10.629 1.00 0.00 C ATOM 515 O ALA A 37 6.867 12.233 10.246 1.00 0.00 O ATOM 516 CB ALA A 37 7.328 9.317 9.162 1.00 0.00 C ATOM 0 H ALA A 37 5.111 9.194 10.320 1.00 0.00 H new ATOM 0 HA ALA A 37 7.650 9.250 11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.388 9.384 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.009 8.276 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.753 9.906 8.447 1.00 0.00 H new ATOM 522 N ASP A 38 8.562 11.502 11.505 1.00 0.00 N ATOM 523 CA ASP A 38 9.144 12.825 11.773 1.00 0.00 C ATOM 524 C ASP A 38 10.641 12.795 11.419 1.00 0.00 C ATOM 525 O ASP A 38 11.402 12.127 12.122 1.00 0.00 O ATOM 526 CB ASP A 38 8.886 13.248 13.228 1.00 0.00 C ATOM 527 CG ASP A 38 9.624 14.538 13.612 1.00 0.00 C ATOM 528 OD1 ASP A 38 10.833 14.417 13.913 1.00 0.00 O ATOM 529 OD2 ASP A 38 8.999 15.617 13.549 1.00 0.00 O ATOM 0 H ASP A 38 8.979 10.748 12.051 1.00 0.00 H new ATOM 0 HA ASP A 38 8.665 13.579 11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.815 13.389 13.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.197 12.444 13.896 1.00 0.00 H new ATOM 534 N PRO A 39 10.999 13.450 10.310 1.00 0.00 N ATOM 535 CA PRO A 39 10.080 14.126 9.367 1.00 0.00 C ATOM 536 C PRO A 39 9.306 13.132 8.484 1.00 0.00 C ATOM 537 O PRO A 39 9.713 11.978 8.343 1.00 0.00 O ATOM 538 CB PRO A 39 10.979 15.065 8.563 1.00 0.00 C ATOM 539 CG PRO A 39 12.331 14.350 8.556 1.00 0.00 C ATOM 540 CD PRO A 39 12.406 13.673 9.926 1.00 0.00 C ATOM 0 HA PRO A 39 9.291 14.672 9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.600 15.215 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.048 16.049 9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.392 13.621 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.152 15.053 8.414 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.956 12.733 9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.920 14.303 10.652 1.00 0.00 H new ATOM 548 N THR A 40 8.112 13.549 8.072 1.00 0.00 N ATOM 549 CA THR A 40 7.223 12.691 7.259 1.00 0.00 C ATOM 550 C THR A 40 7.572 12.772 5.765 1.00 0.00 C ATOM 551 O THR A 40 7.970 13.846 5.298 1.00 0.00 O ATOM 552 CB THR A 40 5.728 12.926 7.577 1.00 0.00 C ATOM 553 OG1 THR A 40 5.086 11.652 7.543 1.00 0.00 O ATOM 554 CG2 THR A 40 4.965 13.894 6.660 1.00 0.00 C ATOM 0 H THR A 40 7.729 14.471 8.281 1.00 0.00 H new ATOM 0 HA THR A 40 7.406 11.655 7.545 1.00 0.00 H new ATOM 0 HB THR A 40 5.704 13.415 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.133 11.761 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.929 13.969 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.432 14.878 6.701 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.992 13.522 5.636 1.00 0.00 H new ATOM 562 N PRO A 41 7.473 11.655 5.037 1.00 0.00 N ATOM 563 CA PRO A 41 7.677 11.660 3.582 1.00 0.00 C ATOM 564 C PRO A 41 6.528 12.376 2.867 1.00 0.00 C ATOM 565 O PRO A 41 5.404 12.479 3.364 1.00 0.00 O ATOM 566 CB PRO A 41 7.786 10.186 3.201 1.00 0.00 C ATOM 567 CG PRO A 41 6.932 9.478 4.251 1.00 0.00 C ATOM 568 CD PRO A 41 7.197 10.286 5.520 1.00 0.00 C ATOM 0 HA PRO A 41 8.571 12.208 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.414 10.004 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.820 9.841 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.876 9.485 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.223 8.434 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.337 10.267 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.043 9.884 6.077 1.00 0.00 H new ATOM 576 N THR A 42 6.891 12.932 1.720 1.00 0.00 N ATOM 577 CA THR A 42 5.938 13.638 0.841 1.00 0.00 C ATOM 578 C THR A 42 4.986 12.632 0.180 1.00 0.00 C ATOM 579 O THR A 42 5.336 11.484 -0.082 1.00 0.00 O ATOM 580 CB THR A 42 6.650 14.524 -0.201 1.00 0.00 C ATOM 581 OG1 THR A 42 5.666 15.257 -0.940 1.00 0.00 O ATOM 582 CG2 THR A 42 7.591 13.761 -1.144 1.00 0.00 C ATOM 0 H THR A 42 7.847 12.913 1.364 1.00 0.00 H new ATOM 0 HA THR A 42 5.349 14.315 1.460 1.00 0.00 H new ATOM 0 HB THR A 42 7.300 15.203 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.111 15.824 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.050 14.460 -1.844 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.369 13.268 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.023 13.013 -1.697 1.00 0.00 H new ATOM 590 N ALA A 43 3.782 13.123 -0.072 1.00 0.00 N ATOM 591 CA ALA A 43 2.723 12.348 -0.729 1.00 0.00 C ATOM 592 C ALA A 43 2.738 12.606 -2.243 1.00 0.00 C ATOM 593 O ALA A 43 2.691 13.744 -2.714 1.00 0.00 O ATOM 594 CB ALA A 43 1.408 12.774 -0.084 1.00 0.00 C ATOM 0 H ALA A 43 3.504 14.074 0.172 1.00 0.00 H new ATOM 0 HA ALA A 43 2.867 11.275 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.584 12.224 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.441 12.560 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.258 13.843 -0.235 1.00 0.00 H new ATOM 600 N THR A 44 2.920 11.517 -2.979 1.00 0.00 N ATOM 601 CA THR A 44 2.970 11.576 -4.453 1.00 0.00 C ATOM 602 C THR A 44 1.884 10.730 -5.130 1.00 0.00 C ATOM 603 O THR A 44 1.681 9.573 -4.788 1.00 0.00 O ATOM 604 CB THR A 44 4.402 11.226 -4.886 1.00 0.00 C ATOM 605 OG1 THR A 44 5.232 12.349 -4.588 1.00 0.00 O ATOM 606 CG2 THR A 44 4.545 10.853 -6.357 1.00 0.00 C ATOM 0 H THR A 44 3.036 10.581 -2.591 1.00 0.00 H new ATOM 0 HA THR A 44 2.736 12.585 -4.792 1.00 0.00 H new ATOM 0 HB THR A 44 4.700 10.334 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.842 13.157 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.588 10.621 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.927 9.981 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.222 11.689 -6.977 1.00 0.00 H new ATOM 614 N ILE A 45 1.345 11.264 -6.220 1.00 0.00 N ATOM 615 CA ILE A 45 0.300 10.581 -7.010 1.00 0.00 C ATOM 616 C ILE A 45 0.959 9.529 -7.919 1.00 0.00 C ATOM 617 O ILE A 45 1.825 9.832 -8.747 1.00 0.00 O ATOM 618 CB ILE A 45 -0.556 11.568 -7.823 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.081 12.703 -6.928 1.00 0.00 C ATOM 620 CG2 ILE A 45 -1.722 10.812 -8.481 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.577 13.938 -7.688 1.00 0.00 C ATOM 0 H ILE A 45 1.611 12.177 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.384 10.086 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 45 0.063 12.018 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.896 12.318 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.287 13.007 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.329 11.510 -9.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.328 10.041 -9.143 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.336 10.348 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.928 14.686 -6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.761 14.354 -8.279 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.395 13.654 -8.350 1.00 0.00 H new ATOM 633 N VAL A 46 0.619 8.290 -7.603 1.00 0.00 N ATOM 634 CA VAL A 46 1.080 7.091 -8.325 1.00 0.00 C ATOM 635 C VAL A 46 -0.099 6.284 -8.891 1.00 0.00 C ATOM 636 O VAL A 46 -1.222 6.367 -8.393 1.00 0.00 O ATOM 637 CB VAL A 46 2.014 6.209 -7.470 1.00 0.00 C ATOM 638 CG1 VAL A 46 3.275 6.972 -7.062 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.348 5.617 -6.228 1.00 0.00 C ATOM 0 H VAL A 46 0.001 8.073 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 46 1.673 7.444 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 46 2.279 5.371 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.913 6.325 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.815 7.286 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.996 7.850 -6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.071 5.011 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.992 6.423 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.505 4.994 -6.529 1.00 0.00 H new ATOM 649 N HIS A 47 0.223 5.434 -9.855 1.00 0.00 N ATOM 650 CA HIS A 47 -0.782 4.590 -10.519 1.00 0.00 C ATOM 651 C HIS A 47 -0.647 3.126 -10.084 1.00 0.00 C ATOM 652 O HIS A 47 0.324 2.444 -10.409 1.00 0.00 O ATOM 653 CB HIS A 47 -0.675 4.759 -12.031 1.00 0.00 C ATOM 654 CG HIS A 47 -2.037 4.486 -12.680 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.086 5.290 -12.602 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.308 3.505 -13.528 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.027 4.812 -13.420 1.00 0.00 C ATOM 658 NE2 HIS A 47 -3.536 3.721 -13.991 1.00 0.00 N ATOM 0 H HIS A 47 1.173 5.304 -10.202 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.779 4.910 -10.216 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.343 5.769 -12.271 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.073 4.074 -12.431 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.162 6.125 -12.021 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.656 2.686 -13.793 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.007 5.236 -13.586 1.00 0.00 H new ATOM 666 N PHE A 48 -1.535 2.784 -9.160 1.00 0.00 N ATOM 667 CA PHE A 48 -1.699 1.448 -8.569 1.00 0.00 C ATOM 668 C PHE A 48 -2.327 0.494 -9.596 1.00 0.00 C ATOM 669 O PHE A 48 -3.522 0.547 -9.902 1.00 0.00 O ATOM 670 CB PHE A 48 -2.614 1.568 -7.350 1.00 0.00 C ATOM 671 CG PHE A 48 -2.297 0.535 -6.277 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.482 -0.824 -6.503 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.820 0.951 -5.040 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.214 -1.728 -5.499 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.506 0.046 -4.049 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.703 -1.315 -4.271 1.00 0.00 C ATOM 0 H PHE A 48 -2.197 3.460 -8.778 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.728 1.051 -8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.519 2.568 -6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.651 1.452 -7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.835 -1.170 -7.463 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.692 2.007 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.404 -2.778 -5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.109 0.390 -3.105 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.464 -2.037 -3.504 1.00 0.00 H new ATOM 686 N LYS A 49 -1.479 -0.384 -10.101 1.00 0.00 N ATOM 687 CA LYS A 49 -1.869 -1.369 -11.119 1.00 0.00 C ATOM 688 C LYS A 49 -1.900 -2.764 -10.487 1.00 0.00 C ATOM 689 O LYS A 49 -0.880 -3.287 -10.031 1.00 0.00 O ATOM 690 CB LYS A 49 -0.880 -1.252 -12.274 1.00 0.00 C ATOM 691 CG LYS A 49 -1.569 -1.450 -13.620 1.00 0.00 C ATOM 692 CD LYS A 49 -0.625 -1.031 -14.742 1.00 0.00 C ATOM 693 CE LYS A 49 -1.094 -1.579 -16.088 1.00 0.00 C ATOM 694 NZ LYS A 49 -0.090 -1.276 -17.115 1.00 0.00 N ATOM 0 H LYS A 49 -0.499 -0.442 -9.824 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.870 -1.186 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.403 -0.272 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.090 -1.994 -12.155 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.856 -2.494 -13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.485 -0.860 -13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.570 0.057 -14.788 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.381 -1.393 -14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.248 -2.656 -16.021 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.052 -1.136 -16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.408 -1.649 -18.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.036 -0.246 -17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.815 -1.718 -16.857 1.00 0.00 H new ATOM 708 N VAL A 50 -3.139 -3.163 -10.210 1.00 0.00 N ATOM 709 CA VAL A 50 -3.457 -4.445 -9.546 1.00 0.00 C ATOM 710 C VAL A 50 -3.753 -5.495 -10.627 1.00 0.00 C ATOM 711 O VAL A 50 -4.794 -5.507 -11.279 1.00 0.00 O ATOM 712 CB VAL A 50 -4.648 -4.349 -8.573 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.743 -5.598 -7.691 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.625 -3.114 -7.673 1.00 0.00 C ATOM 0 H VAL A 50 -3.964 -2.608 -10.438 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.593 -4.728 -8.945 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.524 -4.265 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.592 -5.502 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.877 -6.478 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.827 -5.704 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.497 -3.124 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.718 -3.122 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.643 -2.215 -8.289 1.00 0.00 H new ATOM 724 N SER A 51 -2.757 -6.331 -10.836 1.00 0.00 N ATOM 725 CA SER A 51 -2.835 -7.444 -11.800 1.00 0.00 C ATOM 726 C SER A 51 -3.206 -8.716 -11.038 1.00 0.00 C ATOM 727 O SER A 51 -3.020 -8.760 -9.821 1.00 0.00 O ATOM 728 CB SER A 51 -1.488 -7.626 -12.510 1.00 0.00 C ATOM 729 OG SER A 51 -1.235 -6.530 -13.396 1.00 0.00 O ATOM 0 H SER A 51 -1.863 -6.270 -10.349 1.00 0.00 H new ATOM 0 HA SER A 51 -3.590 -7.229 -12.556 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.688 -7.697 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.489 -8.561 -13.070 1.00 0.00 H new ATOM 0 HG SER A 51 -0.371 -6.661 -13.840 1.00 0.00 H new ATOM 735 N ALA A 52 -3.533 -9.767 -11.796 1.00 0.00 N ATOM 736 CA ALA A 52 -3.878 -11.103 -11.257 1.00 0.00 C ATOM 737 C ALA A 52 -2.953 -11.553 -10.109 1.00 0.00 C ATOM 738 O ALA A 52 -3.438 -11.984 -9.072 1.00 0.00 O ATOM 739 CB ALA A 52 -3.857 -12.135 -12.389 1.00 0.00 C ATOM 0 H ALA A 52 -3.568 -9.722 -12.814 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.880 -11.028 -10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.111 -13.117 -11.991 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.583 -11.854 -13.151 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.861 -12.169 -12.832 1.00 0.00 H new ATOM 745 N GLN A 53 -1.672 -11.195 -10.259 1.00 0.00 N ATOM 746 CA GLN A 53 -0.614 -11.288 -9.229 1.00 0.00 C ATOM 747 C GLN A 53 0.561 -10.330 -9.508 1.00 0.00 C ATOM 748 O GLN A 53 1.718 -10.730 -9.643 1.00 0.00 O ATOM 749 CB GLN A 53 -0.087 -12.721 -9.076 1.00 0.00 C ATOM 750 CG GLN A 53 -1.066 -13.634 -8.342 1.00 0.00 C ATOM 751 CD GLN A 53 -0.314 -14.732 -7.609 1.00 0.00 C ATOM 752 OE1 GLN A 53 0.313 -15.607 -8.192 1.00 0.00 O ATOM 753 NE2 GLN A 53 -0.274 -14.617 -6.303 1.00 0.00 N ATOM 0 H GLN A 53 -1.323 -10.815 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.084 -10.987 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.119 -13.135 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.859 -12.700 -8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.655 -13.052 -7.633 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.766 -14.075 -9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.805 -13.880 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.288 -15.265 -5.751 1.00 0.00 H new ATOM 762 N GLY A 54 0.268 -9.026 -9.467 1.00 0.00 N ATOM 763 CA GLY A 54 1.292 -8.008 -9.790 1.00 0.00 C ATOM 764 C GLY A 54 0.840 -6.615 -9.375 1.00 0.00 C ATOM 765 O GLY A 54 -0.180 -6.133 -9.860 1.00 0.00 O ATOM 0 H GLY A 54 -0.647 -8.649 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.225 -8.255 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.496 -8.022 -10.861 1.00 0.00 H new ATOM 769 N ILE A 55 1.512 -6.086 -8.366 1.00 0.00 N ATOM 770 CA ILE A 55 1.129 -4.786 -7.795 1.00 0.00 C ATOM 771 C ILE A 55 2.262 -3.778 -8.034 1.00 0.00 C ATOM 772 O ILE A 55 3.364 -3.946 -7.520 1.00 0.00 O ATOM 773 CB ILE A 55 0.819 -4.958 -6.299 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.046 -6.177 -5.918 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.191 -3.670 -5.787 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.402 -6.307 -6.627 1.00 0.00 C ATOM 0 H ILE A 55 2.319 -6.524 -7.922 1.00 0.00 H new ATOM 0 HA ILE A 55 0.230 -4.403 -8.279 1.00 0.00 H new ATOM 0 HB ILE A 55 1.774 -5.166 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.531 -7.080 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.225 -6.145 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.036 -3.773 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.887 -2.844 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.728 -3.470 -6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.913 -7.202 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.012 -5.431 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.244 -6.380 -7.703 1.00 0.00 H new ATOM 788 N THR A 56 2.025 -2.895 -8.996 1.00 0.00 N ATOM 789 CA THR A 56 3.006 -1.848 -9.354 1.00 0.00 C ATOM 790 C THR A 56 2.397 -0.452 -9.207 1.00 0.00 C ATOM 791 O THR A 56 1.199 -0.266 -9.430 1.00 0.00 O ATOM 792 CB THR A 56 3.607 -2.079 -10.757 1.00 0.00 C ATOM 793 OG1 THR A 56 4.900 -1.477 -10.797 1.00 0.00 O ATOM 794 CG2 THR A 56 2.799 -1.541 -11.944 1.00 0.00 C ATOM 0 H THR A 56 1.168 -2.873 -9.548 1.00 0.00 H new ATOM 0 HA THR A 56 3.835 -1.915 -8.650 1.00 0.00 H new ATOM 0 HB THR A 56 3.619 -3.162 -10.882 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.298 -1.616 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.324 -1.765 -12.873 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.817 -2.013 -11.959 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.681 -0.462 -11.845 1.00 0.00 H new ATOM 802 N LEU A 57 3.230 0.472 -8.758 1.00 0.00 N ATOM 803 CA LEU A 57 2.839 1.888 -8.643 1.00 0.00 C ATOM 804 C LEU A 57 3.955 2.832 -9.060 1.00 0.00 C ATOM 805 O LEU A 57 5.046 2.864 -8.493 1.00 0.00 O ATOM 806 CB LEU A 57 2.270 2.273 -7.278 1.00 0.00 C ATOM 807 CG LEU A 57 2.476 1.214 -6.205 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.894 1.267 -5.631 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.355 1.370 -5.192 1.00 0.00 C ATOM 0 H LEU A 57 4.187 0.277 -8.463 1.00 0.00 H new ATOM 0 HA LEU A 57 2.018 2.003 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.734 3.203 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.203 2.469 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 57 2.412 0.205 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.006 0.497 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.616 1.095 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.070 2.247 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.470 0.625 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.395 2.368 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.394 1.229 -5.688 1.00 0.00 H new ATOM 821 N THR A 58 3.640 3.472 -10.171 1.00 0.00 N ATOM 822 CA THR A 58 4.575 4.346 -10.899 1.00 0.00 C ATOM 823 C THR A 58 4.297 5.801 -10.499 1.00 0.00 C ATOM 824 O THR A 58 3.145 6.196 -10.315 1.00 0.00 O ATOM 825 CB THR A 58 4.400 4.183 -12.424 1.00 0.00 C ATOM 826 OG1 THR A 58 3.146 4.718 -12.846 1.00 0.00 O ATOM 827 CG2 THR A 58 4.437 2.721 -12.887 1.00 0.00 C ATOM 0 H THR A 58 2.720 3.407 -10.608 1.00 0.00 H new ATOM 0 HA THR A 58 5.598 4.072 -10.643 1.00 0.00 H new ATOM 0 HB THR A 58 5.240 4.719 -12.866 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.053 4.608 -13.815 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.308 2.678 -13.969 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.396 2.278 -12.618 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.633 2.166 -12.404 1.00 0.00 H new ATOM 835 N ASP A 59 5.373 6.558 -10.318 1.00 0.00 N ATOM 836 CA ASP A 59 5.279 7.988 -9.985 1.00 0.00 C ATOM 837 C ASP A 59 5.130 8.818 -11.271 1.00 0.00 C ATOM 838 O ASP A 59 6.064 8.913 -12.062 1.00 0.00 O ATOM 839 CB ASP A 59 6.539 8.398 -9.214 1.00 0.00 C ATOM 840 CG ASP A 59 6.502 9.824 -8.656 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.724 10.663 -9.182 1.00 0.00 O ATOM 842 OD2 ASP A 59 7.260 10.075 -7.700 1.00 0.00 O ATOM 0 H ASP A 59 6.329 6.210 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 59 4.403 8.171 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.688 7.702 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.402 8.301 -9.873 1.00 0.00 H new ATOM 847 N ASN A 60 3.992 9.498 -11.362 1.00 0.00 N ATOM 848 CA ASN A 60 3.714 10.418 -12.483 1.00 0.00 C ATOM 849 C ASN A 60 3.438 11.868 -12.045 1.00 0.00 C ATOM 850 O ASN A 60 3.170 12.741 -12.867 1.00 0.00 O ATOM 851 CB ASN A 60 2.547 9.862 -13.302 1.00 0.00 C ATOM 852 CG ASN A 60 2.856 9.816 -14.802 1.00 0.00 C ATOM 853 OD1 ASN A 60 3.949 10.074 -15.290 1.00 0.00 O ATOM 854 ND2 ASN A 60 1.875 9.414 -15.574 1.00 0.00 N ATOM 0 H ASN A 60 3.239 9.436 -10.676 1.00 0.00 H new ATOM 0 HA ASN A 60 4.616 10.471 -13.092 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.307 8.858 -12.952 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.663 10.478 -13.135 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.023 9.317 -16.578 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.964 9.198 -15.170 1.00 0.00 H new ATOM 861 N GLN A 61 3.448 12.084 -10.731 1.00 0.00 N ATOM 862 CA GLN A 61 3.245 13.411 -10.130 1.00 0.00 C ATOM 863 C GLN A 61 4.558 14.214 -10.077 1.00 0.00 C ATOM 864 O GLN A 61 4.584 15.385 -10.446 1.00 0.00 O ATOM 865 CB GLN A 61 2.675 13.242 -8.722 1.00 0.00 C ATOM 866 CG GLN A 61 2.202 14.589 -8.172 1.00 0.00 C ATOM 867 CD GLN A 61 2.412 14.701 -6.666 1.00 0.00 C ATOM 868 OE1 GLN A 61 3.376 14.220 -6.081 1.00 0.00 O ATOM 869 NE2 GLN A 61 1.476 15.336 -6.004 1.00 0.00 N ATOM 0 H GLN A 61 3.597 11.343 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 61 2.544 13.969 -10.751 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.843 12.538 -8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.434 12.820 -8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.740 15.394 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.145 14.722 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.679 15.732 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 61 1.545 15.434 -4.991 1.00 0.00 H new ATOM 983 N ARG A 67 9.715 3.010 -10.924 1.00 0.00 N ATOM 984 CA ARG A 67 8.501 2.256 -10.587 1.00 0.00 C ATOM 985 C ARG A 67 8.853 0.923 -9.935 1.00 0.00 C ATOM 986 O ARG A 67 9.787 0.237 -10.351 1.00 0.00 O ATOM 987 CB ARG A 67 7.602 2.039 -11.804 1.00 0.00 C ATOM 988 CG ARG A 67 8.206 1.335 -13.023 1.00 0.00 C ATOM 989 CD ARG A 67 8.810 2.333 -14.007 1.00 0.00 C ATOM 990 NE ARG A 67 8.703 1.733 -15.344 1.00 0.00 N ATOM 991 CZ ARG A 67 9.163 2.241 -16.489 1.00 0.00 C ATOM 992 NH1 ARG A 67 9.836 3.382 -16.532 1.00 0.00 N ATOM 993 NH2 ARG A 67 8.959 1.588 -17.622 1.00 0.00 N ATOM 0 HA ARG A 67 7.940 2.857 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.734 1.464 -11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.236 3.013 -12.128 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.975 0.635 -12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.435 0.750 -13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.279 3.284 -13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.851 2.539 -13.758 1.00 0.00 H new ATOM 0 HE ARG A 67 8.227 0.833 -15.403 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.017 3.900 -15.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.173 3.742 -17.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.453 0.702 -17.616 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.308 1.970 -18.501 1.00 0.00 H new ATOM 1007 N ARG A 68 8.068 0.595 -8.919 1.00 0.00 N ATOM 1008 CA ARG A 68 8.237 -0.679 -8.205 1.00 0.00 C ATOM 1009 C ARG A 68 7.022 -1.590 -8.420 1.00 0.00 C ATOM 1010 O ARG A 68 5.893 -1.234 -8.083 1.00 0.00 O ATOM 1011 CB ARG A 68 8.454 -0.416 -6.712 1.00 0.00 C ATOM 1012 CG ARG A 68 9.322 -1.518 -6.099 1.00 0.00 C ATOM 1013 CD ARG A 68 10.808 -1.318 -6.415 1.00 0.00 C ATOM 1014 NE ARG A 68 11.391 -0.344 -5.473 1.00 0.00 N ATOM 1015 CZ ARG A 68 12.680 -0.006 -5.377 1.00 0.00 C ATOM 1016 NH1 ARG A 68 13.588 -0.453 -6.232 1.00 0.00 N ATOM 1017 NH2 ARG A 68 13.079 0.828 -4.429 1.00 0.00 N ATOM 0 H ARG A 68 7.312 1.182 -8.567 1.00 0.00 H new ATOM 0 HA ARG A 68 9.114 -1.188 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.933 0.553 -6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.493 -0.374 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.180 -1.533 -5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.998 -2.488 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 68 11.336 -2.269 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.927 -0.964 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 68 10.746 0.117 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.311 -1.075 -6.992 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.564 -0.176 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.402 1.213 -3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.063 1.085 -4.357 1.00 0.00 H new ATOM 1031 N HIS A 69 7.361 -2.818 -8.802 1.00 0.00 N ATOM 1032 CA HIS A 69 6.417 -3.902 -9.132 1.00 0.00 C ATOM 1033 C HIS A 69 6.672 -5.095 -8.204 1.00 0.00 C ATOM 1034 O HIS A 69 7.774 -5.639 -8.133 1.00 0.00 O ATOM 1035 CB HIS A 69 6.547 -4.219 -10.633 1.00 0.00 C ATOM 1036 CG HIS A 69 6.672 -5.699 -11.032 1.00 0.00 C ATOM 1037 ND1 HIS A 69 5.678 -6.546 -11.251 1.00 0.00 N ATOM 1038 CD2 HIS A 69 7.819 -6.360 -11.117 1.00 0.00 C ATOM 1039 CE1 HIS A 69 6.215 -7.756 -11.441 1.00 0.00 C ATOM 1040 NE2 HIS A 69 7.531 -7.638 -11.357 1.00 0.00 N ATOM 0 H HIS A 69 8.335 -3.105 -8.896 1.00 0.00 H new ATOM 0 HA HIS A 69 5.380 -3.612 -8.962 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.677 -3.805 -11.142 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.421 -3.691 -11.015 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.808 -5.938 -11.011 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.671 -8.669 -11.630 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.207 -8.395 -11.459 1.00 0.00 H new ATOM 1048 N TYR A 70 5.679 -5.344 -7.378 1.00 0.00 N ATOM 1049 CA TYR A 70 5.710 -6.406 -6.366 1.00 0.00 C ATOM 1050 C TYR A 70 4.525 -7.371 -6.532 1.00 0.00 C ATOM 1051 O TYR A 70 3.369 -6.961 -6.392 1.00 0.00 O ATOM 1052 CB TYR A 70 5.816 -5.767 -4.972 1.00 0.00 C ATOM 1053 CG TYR A 70 4.883 -4.584 -4.775 1.00 0.00 C ATOM 1054 CD1 TYR A 70 5.251 -3.329 -5.258 1.00 0.00 C ATOM 1055 CD2 TYR A 70 3.643 -4.757 -4.179 1.00 0.00 C ATOM 1056 CE1 TYR A 70 4.391 -2.271 -5.149 1.00 0.00 C ATOM 1057 CE2 TYR A 70 2.793 -3.694 -4.044 1.00 0.00 C ATOM 1058 CZ TYR A 70 3.150 -2.440 -4.541 1.00 0.00 C ATOM 1059 OH TYR A 70 2.356 -1.387 -4.296 1.00 0.00 O ATOM 0 H TYR A 70 4.809 -4.812 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 70 6.593 -7.031 -6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.597 -6.522 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.843 -5.441 -4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.218 -3.192 -5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.348 -5.732 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.675 -1.303 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.841 -3.826 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 70 2.390 -1.166 -3.342 1.00 0.00 H new ATOM 1069 N PRO A 71 4.789 -8.574 -7.054 1.00 0.00 N ATOM 1070 CA PRO A 71 3.733 -9.587 -7.251 1.00 0.00 C ATOM 1071 C PRO A 71 3.148 -10.001 -5.896 1.00 0.00 C ATOM 1072 O PRO A 71 3.847 -9.952 -4.886 1.00 0.00 O ATOM 1073 CB PRO A 71 4.433 -10.738 -7.978 1.00 0.00 C ATOM 1074 CG PRO A 71 5.898 -10.624 -7.558 1.00 0.00 C ATOM 1075 CD PRO A 71 6.119 -9.120 -7.398 1.00 0.00 C ATOM 0 HA PRO A 71 2.885 -9.227 -7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.012 -11.702 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.322 -10.650 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.089 -11.157 -6.627 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.563 -11.048 -8.310 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.847 -8.909 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.502 -8.677 -8.317 1.00 0.00 H new ATOM 1083 N LEU A 72 1.890 -10.435 -5.887 1.00 0.00 N ATOM 1084 CA LEU A 72 1.222 -10.933 -4.662 1.00 0.00 C ATOM 1085 C LEU A 72 2.004 -12.021 -3.908 1.00 0.00 C ATOM 1086 O LEU A 72 1.959 -12.067 -2.688 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.180 -11.454 -4.967 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.243 -10.354 -5.001 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -2.484 -10.910 -5.696 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -1.620 -9.907 -3.583 1.00 0.00 C ATOM 0 H LEU A 72 1.298 -10.456 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 72 1.172 -10.063 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.168 -11.967 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.456 -12.193 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.847 -9.491 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.256 -10.141 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.227 -11.214 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.856 -11.772 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.377 -9.125 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.016 -10.757 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.736 -9.521 -3.076 1.00 0.00 H new ATOM 1102 N ASN A 73 2.898 -12.693 -4.640 1.00 0.00 N ATOM 1103 CA ASN A 73 3.871 -13.655 -4.087 1.00 0.00 C ATOM 1104 C ASN A 73 4.671 -13.048 -2.917 1.00 0.00 C ATOM 1105 O ASN A 73 4.987 -13.734 -1.951 1.00 0.00 O ATOM 1106 CB ASN A 73 4.821 -14.076 -5.215 1.00 0.00 C ATOM 1107 CG ASN A 73 5.730 -15.224 -4.772 1.00 0.00 C ATOM 1108 OD1 ASN A 73 5.331 -16.376 -4.700 1.00 0.00 O ATOM 1109 ND2 ASN A 73 6.960 -14.925 -4.415 1.00 0.00 N ATOM 0 H ASN A 73 2.971 -12.586 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 73 3.335 -14.518 -3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.242 -14.382 -6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.429 -13.224 -5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.585 -15.657 -4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.289 -13.962 -4.477 1.00 0.00 H new ATOM 1116 N THR A 74 4.993 -11.761 -3.051 1.00 0.00 N ATOM 1117 CA THR A 74 5.632 -10.975 -1.981 1.00 0.00 C ATOM 1118 C THR A 74 4.593 -10.367 -1.017 1.00 0.00 C ATOM 1119 O THR A 74 4.693 -10.583 0.183 1.00 0.00 O ATOM 1120 CB THR A 74 6.629 -9.954 -2.564 1.00 0.00 C ATOM 1121 OG1 THR A 74 7.493 -9.498 -1.534 1.00 0.00 O ATOM 1122 CG2 THR A 74 6.005 -8.717 -3.209 1.00 0.00 C ATOM 0 H THR A 74 4.820 -11.228 -3.904 1.00 0.00 H new ATOM 0 HA THR A 74 6.226 -11.649 -1.363 1.00 0.00 H new ATOM 0 HB THR A 74 7.147 -10.497 -3.355 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.129 -8.850 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.794 -8.066 -3.586 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.361 -9.022 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.414 -8.179 -2.468 1.00 0.00 H new ATOM 1130 N VAL A 75 3.543 -9.730 -1.548 1.00 0.00 N ATOM 1131 CA VAL A 75 2.465 -9.118 -0.740 1.00 0.00 C ATOM 1132 C VAL A 75 1.673 -10.203 0.007 1.00 0.00 C ATOM 1133 O VAL A 75 0.748 -10.816 -0.518 1.00 0.00 O ATOM 1134 CB VAL A 75 1.589 -8.190 -1.610 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.251 -7.779 -0.983 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.356 -6.892 -1.812 1.00 0.00 C ATOM 0 H VAL A 75 3.410 -9.620 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 75 2.901 -8.479 0.028 1.00 0.00 H new ATOM 0 HB VAL A 75 1.374 -8.753 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.289 -7.129 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.345 -8.669 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.435 -7.247 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.764 -6.211 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.553 -6.431 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.301 -7.102 -2.313 1.00 0.00 H new ATOM 1146 N THR A 76 2.107 -10.405 1.241 1.00 0.00 N ATOM 1147 CA THR A 76 1.509 -11.388 2.167 1.00 0.00 C ATOM 1148 C THR A 76 0.178 -10.862 2.714 1.00 0.00 C ATOM 1149 O THR A 76 -0.829 -11.563 2.745 1.00 0.00 O ATOM 1150 CB THR A 76 2.449 -11.739 3.337 1.00 0.00 C ATOM 1151 OG1 THR A 76 2.682 -10.614 4.190 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.780 -12.292 2.830 1.00 0.00 C ATOM 0 H THR A 76 2.891 -9.892 1.644 1.00 0.00 H new ATOM 0 HA THR A 76 1.338 -12.300 1.596 1.00 0.00 H new ATOM 0 HB THR A 76 1.948 -12.510 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.131 -9.906 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.422 -12.530 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.600 -13.195 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.269 -11.546 2.203 1.00 0.00 H new ATOM 1160 N PHE A 77 0.226 -9.611 3.156 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.926 -8.923 3.750 1.00 0.00 C ATOM 1162 C PHE A 77 -1.066 -7.536 3.130 1.00 0.00 C ATOM 1163 O PHE A 77 -0.140 -6.737 3.246 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.639 -8.763 5.242 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.881 -9.001 6.067 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -2.829 -7.997 6.247 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.045 -10.240 6.679 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -3.927 -8.234 7.044 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.143 -10.475 7.468 1.00 0.00 C ATOM 1170 CZ PHE A 77 -4.099 -9.472 7.658 1.00 0.00 C ATOM 0 H PHE A 77 1.068 -9.037 3.114 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.841 -9.489 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.140 -9.464 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.257 -7.761 5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.704 -7.039 5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.308 -11.016 6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.659 -7.455 7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.269 -11.437 7.943 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.965 -9.656 8.277 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.246 -7.255 2.590 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.550 -5.934 2.010 1.00 0.00 C ATOM 1182 C CYS A 78 -3.862 -5.389 2.588 1.00 0.00 C ATOM 1183 O CYS A 78 -4.961 -5.677 2.117 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.584 -6.018 0.483 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.478 -4.378 -0.326 1.00 0.00 S ATOM 0 H CYS A 78 -3.017 -7.921 2.537 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.760 -5.233 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.757 -6.640 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.505 -6.512 0.172 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.892 -4.500 -1.480 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.692 -4.758 3.742 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.802 -4.167 4.511 1.00 0.00 C ATOM 1193 C ASP A 79 -4.440 -2.751 4.991 1.00 0.00 C ATOM 1194 O ASP A 79 -3.288 -2.337 5.016 1.00 0.00 O ATOM 1195 CB ASP A 79 -5.173 -5.091 5.680 1.00 0.00 C ATOM 1196 CG ASP A 79 -6.529 -4.752 6.314 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -7.551 -5.213 5.770 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -6.528 -3.937 7.258 1.00 0.00 O ATOM 0 H ASP A 79 -2.780 -4.636 4.181 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.675 -4.071 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.192 -6.122 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.397 -5.030 6.443 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.465 -1.995 5.351 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.270 -0.657 5.934 1.00 0.00 C ATOM 1205 C LEU A 80 -4.734 -0.796 7.365 1.00 0.00 C ATOM 1206 O LEU A 80 -4.638 -1.895 7.913 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.592 0.110 5.976 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.288 0.186 4.621 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -8.418 -0.840 4.563 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.835 1.595 4.437 1.00 0.00 C ATOM 0 H LEU A 80 -6.441 -2.275 5.254 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.559 -0.111 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.259 -0.368 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.406 1.121 6.339 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.583 -0.038 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.912 -0.782 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.009 -1.840 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.141 -0.630 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.337 1.667 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.546 1.816 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.014 2.312 4.474 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.392 0.340 7.959 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.959 0.383 9.363 1.00 0.00 C ATOM 1224 C ASP A 81 -4.970 -0.322 10.306 1.00 0.00 C ATOM 1225 O ASP A 81 -6.142 0.060 10.324 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.746 1.851 9.733 1.00 0.00 C ATOM 1227 CG ASP A 81 -3.389 2.006 11.207 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -2.329 1.498 11.626 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -4.343 2.336 11.927 1.00 0.00 O ATOM 0 H ASP A 81 -4.404 1.249 7.496 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.026 -0.168 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.950 2.271 9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.651 2.418 9.514 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.492 -1.248 11.152 1.00 0.00 N ATOM 1235 CA PRO A 82 -5.330 -1.949 12.144 1.00 0.00 C ATOM 1236 C PRO A 82 -5.835 -1.057 13.289 1.00 0.00 C ATOM 1237 O PRO A 82 -6.902 -1.310 13.837 1.00 0.00 O ATOM 1238 CB PRO A 82 -4.492 -3.131 12.629 1.00 0.00 C ATOM 1239 CG PRO A 82 -3.057 -2.655 12.439 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.106 -1.755 11.203 1.00 0.00 C ATOM 0 HA PRO A 82 -6.260 -2.282 11.683 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.701 -3.369 13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.696 -4.031 12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.702 -2.108 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.378 -3.495 12.291 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.390 -0.937 11.282 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.856 -2.312 10.300 1.00 0.00 H new ATOM 1248 N GLN A 83 -5.143 0.056 13.534 1.00 0.00 N ATOM 1249 CA GLN A 83 -5.569 1.079 14.513 1.00 0.00 C ATOM 1250 C GLN A 83 -6.590 2.078 13.929 1.00 0.00 C ATOM 1251 O GLN A 83 -6.881 3.102 14.544 1.00 0.00 O ATOM 1252 CB GLN A 83 -4.336 1.842 15.006 1.00 0.00 C ATOM 1253 CG GLN A 83 -3.434 1.027 15.932 1.00 0.00 C ATOM 1254 CD GLN A 83 -3.368 1.690 17.309 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -2.863 2.788 17.492 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -3.897 1.029 18.313 1.00 0.00 N ATOM 0 H GLN A 83 -4.267 0.282 13.062 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.063 0.560 15.335 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.755 2.169 14.144 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.662 2.740 15.530 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.817 0.011 16.026 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.433 0.952 15.506 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.317 0.113 18.156 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.888 1.432 19.250 1.00 0.00 H new ATOM 1265 N GLU A 84 -7.121 1.778 12.735 1.00 0.00 N ATOM 1266 CA GLU A 84 -8.088 2.630 12.009 1.00 0.00 C ATOM 1267 C GLU A 84 -7.645 4.104 11.886 1.00 0.00 C ATOM 1268 O GLU A 84 -8.377 5.050 12.170 1.00 0.00 O ATOM 1269 CB GLU A 84 -9.449 2.498 12.695 1.00 0.00 C ATOM 1270 CG GLU A 84 -10.491 1.851 11.785 1.00 0.00 C ATOM 1271 CD GLU A 84 -11.823 1.631 12.512 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -12.157 2.431 13.416 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -12.506 0.662 12.118 1.00 0.00 O ATOM 0 H GLU A 84 -6.889 0.921 12.233 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.149 2.280 10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.341 1.903 13.602 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.798 3.485 13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.653 2.483 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.113 0.895 11.421 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.385 4.249 11.506 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.713 5.548 11.325 1.00 0.00 C ATOM 1282 C ARG A 85 -5.692 5.929 9.842 1.00 0.00 C ATOM 1283 O ARG A 85 -5.934 5.108 8.950 1.00 0.00 O ATOM 1284 CB ARG A 85 -4.272 5.458 11.826 1.00 0.00 C ATOM 1285 CG ARG A 85 -4.119 5.118 13.311 1.00 0.00 C ATOM 1286 CD ARG A 85 -3.787 6.336 14.171 1.00 0.00 C ATOM 1287 NE ARG A 85 -4.992 6.962 14.737 1.00 0.00 N ATOM 1288 CZ ARG A 85 -4.982 7.938 15.653 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -3.847 8.459 16.103 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -6.118 8.402 16.145 1.00 0.00 N ATOM 0 H ARG A 85 -5.778 3.454 11.308 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.259 6.303 11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.747 4.703 11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.777 6.410 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.043 4.666 13.672 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.333 4.372 13.428 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.121 6.037 14.980 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.248 7.068 13.569 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.898 6.629 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.953 8.116 15.750 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.869 9.202 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.007 8.016 15.827 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.105 9.146 16.843 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.325 7.181 9.612 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.352 7.797 8.273 1.00 0.00 C ATOM 1306 C LYS A 86 -3.974 8.411 7.991 1.00 0.00 C ATOM 1307 O LYS A 86 -3.129 8.439 8.881 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.464 8.858 8.196 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.831 8.402 8.739 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.345 7.131 8.058 1.00 0.00 C ATOM 1311 CE LYS A 86 -9.184 6.281 9.014 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.133 4.867 8.614 1.00 0.00 N ATOM 0 H LYS A 86 -4.997 7.810 10.345 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.569 7.043 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.144 9.740 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.585 9.162 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.751 8.227 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.558 9.203 8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.944 7.400 7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.501 6.545 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.812 6.392 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.217 6.630 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.078 4.444 8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.823 4.797 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.462 4.358 9.223 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.700 8.681 6.716 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.438 9.339 6.323 1.00 0.00 C ATOM 1328 C TRP A 87 -2.349 10.731 6.970 1.00 0.00 C ATOM 1329 O TRP A 87 -1.807 10.887 8.058 1.00 0.00 O ATOM 1330 CB TRP A 87 -2.311 9.375 4.790 1.00 0.00 C ATOM 1331 CG TRP A 87 -1.126 10.199 4.260 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -1.217 11.121 3.297 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.191 10.176 4.686 1.00 0.00 C ATOM 1334 NE1 TRP A 87 -0.018 11.670 3.103 1.00 0.00 N ATOM 1335 CE2 TRP A 87 0.868 11.133 3.922 1.00 0.00 C ATOM 1336 CE3 TRP A 87 0.888 9.439 5.632 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.227 11.346 4.120 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.234 9.684 5.851 1.00 0.00 C ATOM 1339 CH2 TRP A 87 2.907 10.644 5.099 1.00 0.00 C ATOM 0 H TRP A 87 -4.322 8.460 5.939 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.588 8.764 6.691 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.217 8.353 4.423 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.233 9.780 4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.118 11.380 2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.186 12.400 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.380 8.673 6.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 2.754 12.062 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.765 9.127 6.609 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.954 10.839 5.279 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.992 13.546 6.019 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.817 12.719 5.703 1.00 0.00 C ATOM 1439 C PRO A 95 -8.210 11.574 4.762 1.00 0.00 C ATOM 1440 O PRO A 95 -9.340 11.085 4.758 1.00 0.00 O ATOM 1441 CB PRO A 95 -7.295 12.250 7.061 1.00 0.00 C ATOM 1442 CG PRO A 95 -8.553 12.147 7.923 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.447 13.273 7.405 1.00 0.00 C ATOM 0 HA PRO A 95 -7.035 13.257 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.785 11.290 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.580 12.958 7.480 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.033 11.174 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.324 12.274 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.496 12.978 7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.356 14.162 8.029 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.216 11.124 4.010 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.387 10.051 3.020 1.00 0.00 C ATOM 1453 C ALA A 96 -6.837 8.753 3.611 1.00 0.00 C ATOM 1454 O ALA A 96 -5.682 8.694 4.038 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.650 10.415 1.728 1.00 0.00 C ATOM 0 H ALA A 96 -6.265 11.488 4.063 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.443 9.920 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.780 9.616 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.056 11.343 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.588 10.545 1.939 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.776 7.847 3.888 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.489 6.500 4.430 1.00 0.00 C ATOM 1463 C LYS A 97 -6.213 5.903 3.822 1.00 0.00 C ATOM 1464 O LYS A 97 -6.071 5.822 2.597 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.671 5.560 4.167 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.904 6.038 4.929 1.00 0.00 C ATOM 1467 CD LYS A 97 -11.200 5.473 4.360 1.00 0.00 C ATOM 1468 CE LYS A 97 -12.200 6.624 4.263 1.00 0.00 C ATOM 1469 NZ LYS A 97 -13.528 6.225 4.743 1.00 0.00 N ATOM 0 H LYS A 97 -8.771 8.021 3.744 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.336 6.606 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.886 5.524 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.414 4.546 4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.814 5.748 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.944 7.127 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.027 5.032 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.587 4.682 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.840 7.470 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.272 6.959 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.182 7.030 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.881 5.433 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.463 5.929 5.738 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.281 5.609 4.721 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.979 5.060 4.317 1.00 0.00 C ATOM 1485 C LEU A 98 -3.930 3.568 4.643 1.00 0.00 C ATOM 1486 O LEU A 98 -4.417 3.089 5.672 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.788 5.844 4.905 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.033 5.236 6.098 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -0.697 5.955 6.292 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.849 5.307 7.388 1.00 0.00 C ATOM 0 H LEU A 98 -5.394 5.738 5.727 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.878 5.177 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.068 6.005 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.153 6.825 5.208 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.858 4.184 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.168 5.518 7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.092 5.847 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.878 7.013 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.277 4.866 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.071 6.348 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.781 4.757 7.260 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.382 2.865 3.678 1.00 0.00 N ATOM 1503 CA PHE A 99 -3.269 1.403 3.696 1.00 0.00 C ATOM 1504 C PHE A 99 -1.826 0.992 3.412 1.00 0.00 C ATOM 1505 O PHE A 99 -1.103 1.684 2.697 1.00 0.00 O ATOM 1506 CB PHE A 99 -4.230 0.804 2.660 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.909 1.208 1.226 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -4.240 2.475 0.747 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -3.336 0.281 0.362 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -4.035 2.809 -0.571 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -3.116 0.616 -0.956 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.471 1.877 -1.440 1.00 0.00 C ATOM 0 H PHE A 99 -2.991 3.291 2.837 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.542 1.023 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.203 -0.283 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.247 1.115 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.664 3.205 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.064 -0.700 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.310 3.789 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.664 -0.104 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.310 2.128 -2.478 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.469 -0.144 4.010 1.00 0.00 N ATOM 1523 CA GLY A 100 -0.122 -0.705 3.883 1.00 0.00 C ATOM 1524 C GLY A 100 -0.132 -2.211 3.635 1.00 0.00 C ATOM 1525 O GLY A 100 -1.099 -2.922 3.906 1.00 0.00 O ATOM 0 H GLY A 100 -2.098 -0.698 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.398 -0.209 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.442 -0.494 4.792 1.00 0.00 H new ATOM 1529 N PHE A 101 0.980 -2.682 3.109 1.00 0.00 N ATOM 1530 CA PHE A 101 1.180 -4.122 2.919 1.00 0.00 C ATOM 1531 C PHE A 101 2.592 -4.561 3.302 1.00 0.00 C ATOM 1532 O PHE A 101 3.545 -3.783 3.231 1.00 0.00 O ATOM 1533 CB PHE A 101 0.815 -4.549 1.490 1.00 0.00 C ATOM 1534 CG PHE A 101 1.679 -3.901 0.433 1.00 0.00 C ATOM 1535 CD1 PHE A 101 3.004 -4.306 0.283 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.158 -2.873 -0.351 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.817 -3.678 -0.623 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.966 -2.253 -1.261 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.306 -2.644 -1.397 1.00 0.00 C ATOM 0 H PHE A 101 1.761 -2.101 2.804 1.00 0.00 H new ATOM 0 HA PHE A 101 0.501 -4.636 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.904 -5.632 1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.229 -4.300 1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.391 -5.117 0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.127 -2.570 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.847 -3.984 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.572 -1.459 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.944 -2.139 -2.107 1.00 0.00 H new ATOM 1549 N VAL A 102 2.683 -5.847 3.599 1.00 0.00 N ATOM 1550 CA VAL A 102 3.966 -6.520 3.875 1.00 0.00 C ATOM 1551 C VAL A 102 4.392 -7.472 2.761 1.00 0.00 C ATOM 1552 O VAL A 102 3.683 -8.407 2.404 1.00 0.00 O ATOM 1553 CB VAL A 102 4.038 -7.216 5.239 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.449 -6.158 6.246 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.733 -7.863 5.705 1.00 0.00 C ATOM 0 H VAL A 102 1.874 -6.465 3.659 1.00 0.00 H new ATOM 0 HA VAL A 102 4.683 -5.700 3.911 1.00 0.00 H new ATOM 0 HB VAL A 102 4.748 -8.038 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.515 -6.606 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.420 -5.749 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.708 -5.359 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.885 -8.329 6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.957 -7.101 5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.425 -8.621 4.985 1.00 0.00 H new ATOM 1565 N ALA A 103 5.495 -7.075 2.140 1.00 0.00 N ATOM 1566 CA ALA A 103 6.076 -7.795 0.997 1.00 0.00 C ATOM 1567 C ALA A 103 7.231 -8.712 1.439 1.00 0.00 C ATOM 1568 O ALA A 103 8.313 -8.234 1.790 1.00 0.00 O ATOM 1569 CB ALA A 103 6.528 -6.751 -0.030 1.00 0.00 C ATOM 0 H ALA A 103 6.019 -6.243 2.410 1.00 0.00 H new ATOM 0 HA ALA A 103 5.333 -8.453 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.965 -7.254 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.670 -6.161 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.272 -6.094 0.422 1.00 0.00 H new ATOM 1575 N ARG A 104 6.940 -10.010 1.454 1.00 0.00 N ATOM 1576 CA ARG A 104 7.888 -11.089 1.793 1.00 0.00 C ATOM 1577 C ARG A 104 8.368 -11.777 0.510 1.00 0.00 C ATOM 1578 O ARG A 104 7.859 -12.792 0.036 1.00 0.00 O ATOM 1579 CB ARG A 104 7.241 -12.083 2.762 1.00 0.00 C ATOM 1580 CG ARG A 104 8.214 -13.090 3.384 1.00 0.00 C ATOM 1581 CD ARG A 104 8.118 -14.453 2.693 1.00 0.00 C ATOM 1582 NE ARG A 104 7.954 -15.516 3.697 1.00 0.00 N ATOM 1583 CZ ARG A 104 6.875 -15.751 4.456 1.00 0.00 C ATOM 1584 NH1 ARG A 104 5.753 -15.053 4.332 1.00 0.00 N ATOM 1585 NH2 ARG A 104 6.902 -16.733 5.340 1.00 0.00 N ATOM 0 H ARG A 104 6.010 -10.360 1.224 1.00 0.00 H new ATOM 0 HA ARG A 104 8.758 -10.665 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.754 -11.526 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.460 -12.630 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.233 -12.711 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.996 -13.202 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.275 -14.461 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.016 -14.635 2.102 1.00 0.00 H new ATOM 0 HE ARG A 104 8.748 -16.142 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.691 -14.307 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.953 -15.263 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.740 -17.306 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.085 -16.918 5.922 1.00 0.00 H new ATOM 1684 N ASP A 111 13.625 -9.778 5.821 1.00 0.00 N ATOM 1685 CA ASP A 111 13.314 -8.344 5.831 1.00 0.00 C ATOM 1686 C ASP A 111 12.272 -8.037 4.758 1.00 0.00 C ATOM 1687 O ASP A 111 12.477 -8.299 3.573 1.00 0.00 O ATOM 1688 CB ASP A 111 14.596 -7.535 5.595 1.00 0.00 C ATOM 1689 CG ASP A 111 14.467 -6.067 6.022 1.00 0.00 C ATOM 1690 OD1 ASP A 111 13.334 -5.533 5.959 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.500 -5.510 6.439 1.00 0.00 O ATOM 0 HA ASP A 111 12.904 -8.064 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.416 -7.997 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.857 -7.578 4.537 1.00 0.00 H new ATOM 1696 N ASN A 112 11.097 -7.705 5.264 1.00 0.00 N ATOM 1697 CA ASN A 112 9.966 -7.256 4.444 1.00 0.00 C ATOM 1698 C ASN A 112 9.901 -5.733 4.343 1.00 0.00 C ATOM 1699 O ASN A 112 10.309 -4.998 5.245 1.00 0.00 O ATOM 1700 CB ASN A 112 8.662 -7.776 5.049 1.00 0.00 C ATOM 1701 CG ASN A 112 8.370 -9.230 4.683 1.00 0.00 C ATOM 1702 OD1 ASN A 112 7.219 -9.577 4.467 1.00 0.00 O ATOM 1703 ND2 ASN A 112 9.372 -10.087 4.614 1.00 0.00 N ATOM 0 H ASN A 112 10.891 -7.737 6.262 1.00 0.00 H new ATOM 0 HA ASN A 112 10.107 -7.653 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.709 -7.683 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.836 -7.150 4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.193 -11.063 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 112 10.325 -9.773 4.799 1.00 0.00 H new ATOM 1710 N VAL A 113 9.301 -5.306 3.242 1.00 0.00 N ATOM 1711 CA VAL A 113 9.028 -3.886 2.980 1.00 0.00 C ATOM 1712 C VAL A 113 7.539 -3.600 3.224 1.00 0.00 C ATOM 1713 O VAL A 113 6.670 -4.181 2.569 1.00 0.00 O ATOM 1714 CB VAL A 113 9.600 -3.516 1.592 1.00 0.00 C ATOM 1715 CG1 VAL A 113 8.658 -2.818 0.598 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.829 -2.633 1.816 1.00 0.00 C ATOM 0 H VAL A 113 8.986 -5.929 2.499 1.00 0.00 H new ATOM 0 HA VAL A 113 9.539 -3.218 3.673 1.00 0.00 H new ATOM 0 HB VAL A 113 9.816 -4.471 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.192 -2.619 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.803 -3.462 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.310 -1.877 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.257 -2.354 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.537 -1.733 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.570 -3.182 2.397 1.00 0.00 H new ATOM 1726 N CYS A 114 7.285 -2.881 4.314 1.00 0.00 N ATOM 1727 CA CYS A 114 5.922 -2.418 4.605 1.00 0.00 C ATOM 1728 C CYS A 114 5.669 -1.094 3.880 1.00 0.00 C ATOM 1729 O CYS A 114 6.140 -0.027 4.271 1.00 0.00 O ATOM 1730 CB CYS A 114 5.639 -2.275 6.098 1.00 0.00 C ATOM 1731 SG CYS A 114 3.834 -2.145 6.357 1.00 0.00 S ATOM 0 H CYS A 114 7.987 -2.608 5.002 1.00 0.00 H new ATOM 0 HA CYS A 114 5.236 -3.183 4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.035 -3.134 6.639 1.00 0.00 H new ATOM 0 HB3 CYS A 114 6.140 -1.391 6.492 1.00 0.00 H new ATOM 0 HG CYS A 114 3.398 -3.229 6.927 1.00 0.00 H new ATOM 1737 N HIS A 115 5.101 -1.247 2.695 1.00 0.00 N ATOM 1738 CA HIS A 115 4.746 -0.091 1.860 1.00 0.00 C ATOM 1739 C HIS A 115 3.370 0.440 2.250 1.00 0.00 C ATOM 1740 O HIS A 115 2.500 -0.338 2.626 1.00 0.00 O ATOM 1741 CB HIS A 115 4.699 -0.523 0.410 1.00 0.00 C ATOM 1742 CG HIS A 115 5.582 0.347 -0.482 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.450 -0.146 -1.349 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.534 1.663 -0.617 1.00 0.00 C ATOM 1745 CE1 HIS A 115 6.934 0.878 -2.059 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.369 1.984 -1.601 1.00 0.00 N ATOM 0 H HIS A 115 4.873 -2.152 2.283 1.00 0.00 H new ATOM 0 HA HIS A 115 5.492 0.690 2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.019 -1.562 0.332 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.670 -0.479 0.053 1.00 0.00 H new ATOM 0 HD1 HIS A 115 6.704 -1.128 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.931 2.347 -0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.655 0.814 -2.861 1.00 0.00 H new ATOM 1754 N LEU A 116 3.250 1.759 2.194 1.00 0.00 N ATOM 1755 CA LEU A 116 2.015 2.471 2.567 1.00 0.00 C ATOM 1756 C LEU A 116 1.600 3.454 1.473 1.00 0.00 C ATOM 1757 O LEU A 116 2.437 4.047 0.783 1.00 0.00 O ATOM 1758 CB LEU A 116 2.246 3.204 3.889 1.00 0.00 C ATOM 1759 CG LEU A 116 2.752 2.207 4.934 1.00 0.00 C ATOM 1760 CD1 LEU A 116 3.940 2.786 5.683 1.00 0.00 C ATOM 1761 CD2 LEU A 116 1.642 1.781 5.881 1.00 0.00 C ATOM 0 H LEU A 116 4.003 2.376 1.889 1.00 0.00 H new ATOM 0 HA LEU A 116 1.206 1.750 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.972 4.006 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.320 3.667 4.229 1.00 0.00 H new ATOM 0 HG LEU A 116 3.085 1.308 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.289 2.066 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.744 3.002 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.640 3.706 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.037 1.073 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.251 2.656 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.841 1.308 5.313 1.00 0.00 H new ATOM 1773 N PHE A 117 0.289 3.553 1.318 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.366 4.383 0.297 1.00 0.00 C ATOM 1775 C PHE A 117 -1.670 4.977 0.835 1.00 0.00 C ATOM 1776 O PHE A 117 -2.350 4.368 1.656 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.663 3.522 -0.936 1.00 0.00 C ATOM 1778 CG PHE A 117 0.608 2.976 -1.571 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.353 3.810 -2.403 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.085 1.706 -1.245 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.567 3.390 -2.896 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.299 1.289 -1.741 1.00 0.00 C ATOM 1783 CZ PHE A 117 3.050 2.133 -2.557 1.00 0.00 C ATOM 0 H PHE A 117 -0.373 3.049 1.909 1.00 0.00 H new ATOM 0 HA PHE A 117 0.300 5.203 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.311 2.693 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.208 4.116 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.976 4.789 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.505 1.055 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.142 4.035 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.671 0.305 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.011 1.808 -2.927 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.967 6.194 0.408 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.241 6.854 0.741 1.00 0.00 C ATOM 1795 C ALA A 118 -4.124 6.924 -0.504 1.00 0.00 C ATOM 1796 O ALA A 118 -3.664 7.244 -1.597 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.993 8.265 1.278 1.00 0.00 C ATOM 0 H ALA A 118 -1.346 6.756 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.744 6.272 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.946 8.736 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.379 8.209 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.477 8.856 0.522 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.369 6.493 -0.345 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.349 6.543 -1.448 1.00 0.00 C ATOM 1805 C GLU A 119 -6.521 7.977 -1.982 1.00 0.00 C ATOM 1806 O GLU A 119 -6.788 8.898 -1.216 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.679 5.930 -0.994 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.476 6.687 0.083 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.337 7.811 -0.513 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.976 7.543 -1.559 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.335 8.901 0.090 1.00 0.00 O ATOM 0 H GLU A 119 -5.732 6.106 0.526 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.972 5.948 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.317 5.822 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.477 4.926 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.117 5.986 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.786 7.109 0.813 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.206 8.156 -3.258 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.403 9.456 -3.930 1.00 0.00 C ATOM 1820 C LEU A 120 -7.377 9.329 -5.120 1.00 0.00 C ATOM 1821 O LEU A 120 -7.265 9.952 -6.173 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.019 10.024 -4.290 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.106 11.415 -4.926 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -4.467 12.502 -4.063 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.494 11.367 -6.321 1.00 0.00 C ATOM 0 H LEU A 120 -5.814 7.428 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.888 10.172 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.406 10.076 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.518 9.343 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.158 11.689 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.559 13.465 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.973 12.545 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.413 12.272 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.553 12.355 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.450 11.062 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.041 10.650 -6.934 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.363 8.455 -4.942 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.425 8.269 -5.941 1.00 0.00 C ATOM 1839 C ASP A 121 -10.814 8.459 -5.324 1.00 0.00 C ATOM 1840 O ASP A 121 -11.187 7.655 -4.463 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.335 6.899 -6.612 1.00 0.00 C ATOM 1842 CG ASP A 121 -8.185 6.786 -7.610 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -7.946 7.749 -8.372 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -7.686 5.650 -7.717 1.00 0.00 O ATOM 0 H ASP A 121 -8.454 7.862 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.276 9.034 -6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.217 6.134 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.274 6.692 -7.126 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.580 9.438 -5.825 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.966 9.686 -5.380 1.00 0.00 C ATOM 1851 C PRO A 122 -13.955 8.646 -5.950 1.00 0.00 C ATOM 1852 O PRO A 122 -14.940 8.972 -6.604 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.237 11.125 -5.832 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.414 11.267 -7.111 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.155 10.451 -6.816 1.00 0.00 C ATOM 0 HA PRO A 122 -13.101 9.577 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.298 11.293 -6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.928 11.847 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -12.949 10.880 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.177 12.310 -7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.768 9.981 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.359 11.082 -6.419 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.639 7.377 -5.679 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.361 6.176 -6.164 1.00 0.00 C ATOM 1865 C ASP A 123 -13.673 4.871 -5.725 1.00 0.00 C ATOM 1866 O ASP A 123 -14.341 3.907 -5.372 1.00 0.00 O ATOM 1867 CB ASP A 123 -14.467 6.159 -7.697 1.00 0.00 C ATOM 1868 CG ASP A 123 -15.726 5.439 -8.191 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -15.971 4.304 -7.728 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -16.414 6.048 -9.036 1.00 0.00 O ATOM 0 H ASP A 123 -12.840 7.138 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.355 6.232 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.469 7.184 -8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.586 5.670 -8.113 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.337 4.892 -5.699 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.522 3.733 -5.299 1.00 0.00 C ATOM 1877 C GLN A 124 -10.745 4.039 -4.007 1.00 0.00 C ATOM 1878 O GLN A 124 -9.616 4.538 -4.060 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.602 3.322 -6.454 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.293 2.314 -7.376 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.257 0.886 -6.821 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -11.315 0.610 -5.625 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -11.125 -0.064 -7.717 1.00 0.00 N ATOM 0 H GLN A 124 -11.786 5.712 -5.954 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.173 2.886 -5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.314 4.204 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.685 2.887 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.330 2.616 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.811 2.332 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.078 0.173 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -11.070 -1.039 -7.422 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.428 3.921 -2.860 1.00 0.00 N ATOM 1893 CA PRO A 125 -10.795 4.121 -1.552 1.00 0.00 C ATOM 1894 C PRO A 125 -9.848 2.962 -1.239 1.00 0.00 C ATOM 1895 O PRO A 125 -9.928 1.871 -1.800 1.00 0.00 O ATOM 1896 CB PRO A 125 -11.946 4.251 -0.552 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.060 3.416 -1.176 1.00 0.00 C ATOM 1898 CD PRO A 125 -12.863 3.620 -2.679 1.00 0.00 C ATOM 0 HA PRO A 125 -10.172 5.015 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.666 3.875 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.249 5.290 -0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -12.976 2.365 -0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.044 3.754 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.148 2.727 -3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.483 4.437 -3.047 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.048 3.212 -0.217 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.018 2.283 0.262 1.00 0.00 C ATOM 1908 C ALA A 126 -8.638 0.958 0.735 1.00 0.00 C ATOM 1909 O ALA A 126 -8.262 -0.097 0.245 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.301 3.021 1.382 1.00 0.00 C ATOM 0 H ALA A 126 -9.090 4.079 0.318 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.321 2.001 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.514 2.387 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.861 3.938 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.013 3.268 2.169 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.754 1.073 1.459 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.598 -0.067 1.868 1.00 0.00 C ATOM 1918 C ALA A 127 -11.100 -0.912 0.685 1.00 0.00 C ATOM 1919 O ALA A 127 -10.781 -2.091 0.627 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.774 0.433 2.711 1.00 0.00 C ATOM 0 H ALA A 127 -10.108 1.972 1.786 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.969 -0.728 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.393 -0.413 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.396 0.938 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.372 1.131 2.124 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.705 -0.274 -0.323 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.136 -0.967 -1.558 1.00 0.00 C ATOM 1928 C ALA A 128 -10.967 -1.619 -2.315 1.00 0.00 C ATOM 1929 O ALA A 128 -11.043 -2.799 -2.639 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.894 -0.024 -2.491 1.00 0.00 C ATOM 0 H ALA A 128 -11.911 0.725 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.805 -1.764 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.196 -0.565 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.779 0.358 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.248 0.809 -2.770 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.814 -0.945 -2.312 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.546 -1.491 -2.837 1.00 0.00 C ATOM 1938 C ILE A 129 -8.082 -2.710 -2.023 1.00 0.00 C ATOM 1939 O ILE A 129 -7.770 -3.730 -2.621 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.510 -0.350 -2.987 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.644 0.323 -4.366 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.049 -0.689 -2.635 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.293 -0.551 -5.580 1.00 0.00 C ATOM 0 H ILE A 129 -9.727 0.002 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.689 -1.891 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.774 0.363 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.670 0.672 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.004 1.205 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.425 0.193 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.990 -1.006 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.697 -1.494 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.424 0.027 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.257 -0.880 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -7.949 -1.421 -5.604 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.238 -2.657 -0.710 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.928 -3.745 0.241 1.00 0.00 C ATOM 1957 C VAL A 130 -8.905 -4.929 0.109 1.00 0.00 C ATOM 1958 O VAL A 130 -8.526 -6.083 0.293 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.818 -3.115 1.643 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -8.076 -4.070 2.815 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.410 -2.528 1.783 1.00 0.00 C ATOM 0 H VAL A 130 -8.599 -1.824 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.969 -4.212 0.017 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.605 -2.364 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.974 -3.528 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.084 -4.476 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.353 -4.885 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.301 -2.074 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.672 -3.321 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.254 -1.771 1.015 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.129 -4.611 -0.288 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.195 -5.590 -0.558 1.00 0.00 C ATOM 1973 C ASN A 131 -11.003 -6.272 -1.921 1.00 0.00 C ATOM 1974 O ASN A 131 -11.226 -7.468 -2.064 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.544 -4.876 -0.497 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.570 -5.765 0.202 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.844 -6.895 -0.171 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.136 -5.261 1.272 1.00 0.00 N ATOM 0 H ASN A 131 -10.424 -3.646 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.156 -6.374 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.442 -3.932 0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.884 -4.635 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.811 -5.814 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.901 -4.316 1.576 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.405 -5.535 -2.850 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.098 -6.000 -4.210 1.00 0.00 C ATOM 1987 C PHE A 132 -8.747 -6.728 -4.277 1.00 0.00 C ATOM 1988 O PHE A 132 -8.673 -7.846 -4.774 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.145 -4.790 -5.156 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.448 -4.993 -6.500 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.425 -6.220 -7.164 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.686 -3.936 -6.996 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.641 -6.405 -8.279 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.932 -4.110 -8.134 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.892 -5.341 -8.782 1.00 0.00 C ATOM 0 H PHE A 132 -10.110 -4.573 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.843 -6.733 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.188 -4.532 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.690 -3.937 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.031 -7.035 -6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.687 -2.983 -6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -8.605 -7.370 -8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.364 -3.281 -8.529 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.286 -5.471 -9.667 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.713 -6.121 -3.711 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.346 -6.680 -3.678 1.00 0.00 C ATOM 2007 C VAL A 133 -6.330 -8.058 -2.980 1.00 0.00 C ATOM 2008 O VAL A 133 -5.585 -8.952 -3.366 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.392 -5.646 -3.049 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.500 -5.540 -1.522 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -3.952 -5.863 -3.513 1.00 0.00 C ATOM 0 H VAL A 133 -7.789 -5.213 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.988 -6.870 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.722 -4.675 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.796 -4.791 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.514 -5.248 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.267 -6.505 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.305 -5.117 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.622 -6.860 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.901 -5.766 -4.597 1.00 0.00 H new ATOM 2021 N SER A 134 -7.243 -8.205 -2.020 1.00 0.00 N ATOM 2022 CA SER A 134 -7.473 -9.472 -1.307 1.00 0.00 C ATOM 2023 C SER A 134 -8.385 -10.424 -2.100 1.00 0.00 C ATOM 2024 O SER A 134 -8.027 -11.582 -2.281 1.00 0.00 O ATOM 2025 CB SER A 134 -8.061 -9.191 0.076 1.00 0.00 C ATOM 2026 OG SER A 134 -7.484 -10.115 0.998 1.00 0.00 O ATOM 0 H SER A 134 -7.850 -7.447 -1.710 1.00 0.00 H new ATOM 0 HA SER A 134 -6.510 -9.971 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.847 -8.166 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 134 -9.146 -9.298 0.058 1.00 0.00 H new ATOM 0 HG SER A 134 -7.846 -9.952 1.894 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.358 -9.865 -2.821 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.250 -10.643 -3.710 1.00 0.00 C ATOM 2034 C ARG A 135 -9.541 -11.214 -4.950 1.00 0.00 C ATOM 2035 O ARG A 135 -10.013 -12.178 -5.547 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.442 -9.797 -4.159 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.755 -10.353 -3.604 1.00 0.00 C ATOM 2038 CD ARG A 135 -12.885 -10.174 -2.084 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.235 -10.553 -1.631 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.388 -9.942 -1.942 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -15.422 -8.861 -2.711 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -16.536 -10.404 -1.474 1.00 0.00 N ATOM 0 H ARG A 135 -9.557 -8.865 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.590 -11.489 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.309 -8.769 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.485 -9.774 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -13.591 -9.856 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.826 -11.413 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.140 -10.785 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.683 -9.137 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.300 -11.365 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -14.555 -8.472 -3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.315 -8.419 -2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.547 -11.229 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.410 -9.936 -1.714 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.475 -10.534 -5.369 1.00 0.00 N ATOM 2057 CA VAL A 136 -7.605 -10.975 -6.476 1.00 0.00 C ATOM 2058 C VAL A 136 -6.613 -12.071 -6.028 1.00 0.00 C ATOM 2059 O VAL A 136 -6.157 -12.867 -6.842 1.00 0.00 O ATOM 2060 CB VAL A 136 -6.959 -9.740 -7.144 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -5.652 -9.240 -6.519 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -6.811 -9.960 -8.650 1.00 0.00 C ATOM 0 H VAL A 136 -8.182 -9.651 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.200 -11.466 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.660 -8.927 -6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.294 -8.371 -7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.829 -8.962 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.903 -10.031 -6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.354 -9.080 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.180 -10.830 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.793 -10.127 -9.092 1.00 0.00 H new ATOM 2072 N MET A 137 -6.250 -12.027 -4.745 1.00 0.00 N ATOM 2073 CA MET A 137 -5.367 -13.022 -4.111 1.00 0.00 C ATOM 2074 C MET A 137 -6.120 -14.302 -3.719 1.00 0.00 C ATOM 2075 O MET A 137 -5.617 -15.386 -4.001 1.00 0.00 O ATOM 2076 CB MET A 137 -4.662 -12.381 -2.907 1.00 0.00 C ATOM 2077 CG MET A 137 -3.653 -13.304 -2.208 1.00 0.00 C ATOM 2078 SD MET A 137 -2.385 -14.020 -3.320 1.00 0.00 S ATOM 2079 CE MET A 137 -1.300 -14.743 -2.110 1.00 0.00 C ATOM 0 H MET A 137 -6.561 -11.295 -4.106 1.00 0.00 H new ATOM 0 HA MET A 137 -4.615 -13.331 -4.837 1.00 0.00 H new ATOM 0 HB2 MET A 137 -4.145 -11.481 -3.239 1.00 0.00 H new ATOM 0 HB3 MET A 137 -5.414 -12.068 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.152 -12.743 -1.419 1.00 0.00 H new ATOM 0 HG3 MET A 137 -4.196 -14.117 -1.725 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.464 -15.227 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.923 -13.964 -1.448 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.848 -15.482 -1.525 1.00 0.00 H new