USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 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 54 LYS NZ :NH3+ 175:sc= 2.12 (180deg=0.915) USER MOD Set 1.2: A 88 TYR OH : rot 80:sc= 1.03 USER MOD Set 2.1: A 68 ASN : amide:sc= 0.63 K(o=1.7,f=-4.8) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -131:sc= 1.09 (180deg=-0.033) USER MOD Set 3.1: A 63 HIS : no HD1:sc= -0.015 K(o=-0.72,f=-1.5) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.71 X(o=-0.72,f=-0.87) USER MOD Set 4.1: A 37 ASN : amide:sc= -1.8! K(o=-0.57!,f=-1.5) USER MOD Set 4.2: A 74 SER OG : rot 108:sc= 1.23 USER MOD Set 5.1: A 33 ASN : amide:sc= 0.885 K(o=1.6,f=0.061) USER MOD Set 5.2: A 34 ASN : amide:sc= 0.757 K(o=1.6,f=0.061) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -0.789 (180deg=-1.71!) USER MOD Single : A 8 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.849 K(o=-0.85,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-0.163) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 ASN : amide:sc= -2.79! K(o=-2.8!,f=-1.7) USER MOD Single : A 27 THR OG1 : rot 154:sc= -0.534 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-5.1!) USER MOD Single : A 41 THR OG1 : rot -130:sc= -0.55 USER MOD Single : A 44 SER OG : rot 31:sc= 0.12 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0738 (180deg=-0.309) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0246 (180deg=-0.239) USER MOD Single : A 75 CYS SG : rot 140:sc= -0.348 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -138:sc= 1.26 (180deg=1.02) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 81 MET CE :methyl 178:sc= -1.98 (180deg=-2.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.16! X(o=-1.2!,f=-0.92) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.455 1.227 -5.241 1.00 0.00 N ATOM 65 CA GLU A 5 16.194 -0.094 -5.797 1.00 0.00 C ATOM 66 C GLU A 5 14.755 -0.504 -5.509 1.00 0.00 C ATOM 67 O GLU A 5 14.324 -0.495 -4.352 1.00 0.00 O ATOM 68 CB GLU A 5 17.138 -1.128 -5.179 1.00 0.00 C ATOM 69 CG GLU A 5 18.601 -0.728 -5.201 1.00 0.00 C ATOM 70 CD GLU A 5 19.244 -0.851 -6.565 1.00 0.00 C ATOM 71 OE1 GLU A 5 19.758 -1.943 -6.880 1.00 0.00 O ATOM 72 OE2 GLU A 5 19.289 0.150 -7.304 1.00 0.00 O ATOM 0 HA GLU A 5 16.358 -0.052 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.837 -1.306 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.023 -2.072 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.692 0.302 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.149 -1.350 -4.493 1.00 0.00 H new ATOM 79 N ILE A 6 14.017 -0.855 -6.555 1.00 0.00 N ATOM 80 CA ILE A 6 12.648 -1.325 -6.400 1.00 0.00 C ATOM 81 C ILE A 6 12.644 -2.743 -5.836 1.00 0.00 C ATOM 82 O ILE A 6 12.985 -3.700 -6.530 1.00 0.00 O ATOM 83 CB ILE A 6 11.882 -1.304 -7.742 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.937 0.096 -8.368 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.436 -1.742 -7.533 1.00 0.00 C ATOM 86 CD1 ILE A 6 11.253 0.189 -9.719 1.00 0.00 C ATOM 0 H ILE A 6 14.345 -0.823 -7.520 1.00 0.00 H new ATOM 0 HA ILE A 6 12.144 -0.649 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 6 12.359 -2.005 -8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.472 0.808 -7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.980 0.394 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.908 -1.722 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.417 -2.754 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.948 -1.063 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.333 1.208 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.732 -0.497 -10.418 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.201 -0.077 -9.613 1.00 0.00 H new ATOM 98 N LYS A 7 12.286 -2.863 -4.570 1.00 0.00 N ATOM 99 CA LYS A 7 12.257 -4.154 -3.906 1.00 0.00 C ATOM 100 C LYS A 7 10.825 -4.659 -3.809 1.00 0.00 C ATOM 101 O LYS A 7 9.910 -3.891 -3.512 1.00 0.00 O ATOM 102 CB LYS A 7 12.868 -4.039 -2.508 1.00 0.00 C ATOM 103 CG LYS A 7 14.326 -3.607 -2.510 1.00 0.00 C ATOM 104 CD LYS A 7 14.845 -3.405 -1.096 1.00 0.00 C ATOM 105 CE LYS A 7 16.339 -3.142 -1.083 1.00 0.00 C ATOM 106 NZ LYS A 7 16.702 -1.907 -1.825 1.00 0.00 N ATOM 0 H LYS A 7 12.010 -2.079 -3.979 1.00 0.00 H new ATOM 0 HA LYS A 7 12.843 -4.864 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.287 -3.324 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.785 -5.002 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.930 -4.360 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.432 -2.680 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.323 -2.568 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.625 -4.289 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.681 -3.057 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.859 -3.993 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.626 -2.037 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.981 -1.712 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.754 -1.107 -1.163 1.00 0.00 H new ATOM 120 N GLN A 8 10.632 -5.945 -4.066 1.00 0.00 N ATOM 121 CA GLN A 8 9.307 -6.542 -3.985 1.00 0.00 C ATOM 122 C GLN A 8 9.129 -7.247 -2.645 1.00 0.00 C ATOM 123 O GLN A 8 10.097 -7.733 -2.053 1.00 0.00 O ATOM 124 CB GLN A 8 9.073 -7.524 -5.144 1.00 0.00 C ATOM 125 CG GLN A 8 10.075 -8.666 -5.205 1.00 0.00 C ATOM 126 CD GLN A 8 9.770 -9.667 -6.309 1.00 0.00 C ATOM 127 OE1 GLN A 8 10.678 -10.290 -6.865 1.00 0.00 O ATOM 128 NE2 GLN A 8 8.495 -9.837 -6.631 1.00 0.00 N ATOM 0 H GLN A 8 11.374 -6.593 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 8 8.568 -5.745 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.070 -7.940 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.108 -6.974 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.074 -8.258 -5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.086 -9.184 -4.246 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.772 -9.303 -6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.238 -10.501 -7.361 1.00 0.00 H new ATOM 137 N GLY A 9 7.897 -7.276 -2.160 1.00 0.00 N ATOM 138 CA GLY A 9 7.612 -7.916 -0.894 1.00 0.00 C ATOM 139 C GLY A 9 6.196 -8.453 -0.836 1.00 0.00 C ATOM 140 O GLY A 9 5.515 -8.529 -1.860 1.00 0.00 O ATOM 0 H GLY A 9 7.086 -6.866 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.316 -8.732 -0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.762 -7.202 -0.085 1.00 0.00 H new ATOM 144 N GLU A 10 5.750 -8.811 0.365 1.00 0.00 N ATOM 145 CA GLU A 10 4.419 -9.380 0.565 1.00 0.00 C ATOM 146 C GLU A 10 3.341 -8.374 0.187 1.00 0.00 C ATOM 147 O GLU A 10 3.076 -7.437 0.941 1.00 0.00 O ATOM 148 CB GLU A 10 4.211 -9.810 2.027 1.00 0.00 C ATOM 149 CG GLU A 10 5.247 -10.794 2.562 1.00 0.00 C ATOM 150 CD GLU A 10 6.625 -10.182 2.688 1.00 0.00 C ATOM 151 OE1 GLU A 10 6.716 -8.985 3.035 1.00 0.00 O ATOM 152 OE2 GLU A 10 7.619 -10.878 2.397 1.00 0.00 O ATOM 0 H GLU A 10 6.296 -8.716 1.222 1.00 0.00 H new ATOM 0 HA GLU A 10 4.342 -10.257 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.218 -8.920 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.222 -10.259 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.926 -11.159 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.297 -11.658 1.899 1.00 0.00 H new ATOM 159 N ASN A 11 2.762 -8.552 -1.002 1.00 0.00 N ATOM 160 CA ASN A 11 1.647 -7.722 -1.469 1.00 0.00 C ATOM 161 C ASN A 11 2.046 -6.251 -1.559 1.00 0.00 C ATOM 162 O ASN A 11 1.198 -5.361 -1.465 1.00 0.00 O ATOM 163 CB ASN A 11 0.436 -7.874 -0.534 1.00 0.00 C ATOM 164 CG ASN A 11 -0.081 -9.300 -0.450 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.562 -9.736 0.598 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.002 -10.036 -1.550 1.00 0.00 N ATOM 0 H ASN A 11 3.050 -9.271 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 11 1.378 -8.066 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.712 -7.535 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.367 -7.223 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.339 -10.997 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.406 -9.641 -2.399 1.00 0.00 H new ATOM 173 N LYS A 12 3.330 -5.986 -1.768 1.00 0.00 N ATOM 174 CA LYS A 12 3.811 -4.613 -1.780 1.00 0.00 C ATOM 175 C LYS A 12 5.113 -4.471 -2.554 1.00 0.00 C ATOM 176 O LYS A 12 5.834 -5.445 -2.773 1.00 0.00 O ATOM 177 CB LYS A 12 4.016 -4.121 -0.346 1.00 0.00 C ATOM 178 CG LYS A 12 4.986 -4.974 0.458 1.00 0.00 C ATOM 179 CD LYS A 12 5.198 -4.423 1.858 1.00 0.00 C ATOM 180 CE LYS A 12 6.025 -5.378 2.705 1.00 0.00 C ATOM 181 NZ LYS A 12 5.281 -6.629 3.020 1.00 0.00 N ATOM 0 H LYS A 12 4.047 -6.694 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 12 3.056 -4.007 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.383 -3.095 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.053 -4.102 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.605 -5.993 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.943 -5.023 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.700 -3.457 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.233 -4.253 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.946 -5.627 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.313 -4.884 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.039 -6.644 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.409 -6.666 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.875 -7.452 2.794 1.00 0.00 H new ATOM 195 N PHE A 13 5.393 -3.243 -2.960 1.00 0.00 N ATOM 196 CA PHE A 13 6.671 -2.881 -3.552 1.00 0.00 C ATOM 197 C PHE A 13 7.229 -1.686 -2.793 1.00 0.00 C ATOM 198 O PHE A 13 6.496 -0.738 -2.502 1.00 0.00 O ATOM 199 CB PHE A 13 6.517 -2.528 -5.036 1.00 0.00 C ATOM 200 CG PHE A 13 6.082 -3.676 -5.901 1.00 0.00 C ATOM 201 CD1 PHE A 13 6.985 -4.657 -6.279 1.00 0.00 C ATOM 202 CD2 PHE A 13 4.771 -3.773 -6.342 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.590 -5.711 -7.080 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.372 -4.826 -7.144 1.00 0.00 C ATOM 205 CZ PHE A 13 5.282 -5.795 -7.511 1.00 0.00 C ATOM 0 H PHE A 13 4.737 -2.465 -2.888 1.00 0.00 H new ATOM 0 HA PHE A 13 7.350 -3.731 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.791 -1.720 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.468 -2.148 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.010 -4.597 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.054 -3.018 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.304 -6.468 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.349 -4.890 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.971 -6.619 -8.136 1.00 0.00 H new ATOM 215 N TYR A 14 8.504 -1.724 -2.449 1.00 0.00 N ATOM 216 CA TYR A 14 9.087 -0.654 -1.656 1.00 0.00 C ATOM 217 C TYR A 14 10.458 -0.250 -2.177 1.00 0.00 C ATOM 218 O TYR A 14 11.270 -1.090 -2.571 1.00 0.00 O ATOM 219 CB TYR A 14 9.159 -1.043 -0.169 1.00 0.00 C ATOM 220 CG TYR A 14 9.995 -2.269 0.142 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.512 -3.550 -0.101 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.261 -2.141 0.703 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.269 -4.665 0.197 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.022 -3.252 1.005 1.00 0.00 C ATOM 225 CZ TYR A 14 11.520 -4.511 0.753 1.00 0.00 C ATOM 226 OH TYR A 14 12.277 -5.619 1.052 1.00 0.00 O ATOM 0 H TYR A 14 9.149 -2.473 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 14 8.432 0.212 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.561 -0.199 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.145 -1.213 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.529 -3.675 -0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.655 -1.156 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.883 -5.653 -0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.005 -3.136 1.436 1.00 0.00 H new ATOM 0 HH TYR A 14 13.133 -5.336 1.437 1.00 0.00 H new ATOM 236 N ILE A 15 10.691 1.052 -2.193 1.00 0.00 N ATOM 237 CA ILE A 15 11.966 1.610 -2.598 1.00 0.00 C ATOM 238 C ILE A 15 12.670 2.215 -1.392 1.00 0.00 C ATOM 239 O ILE A 15 12.119 3.076 -0.700 1.00 0.00 O ATOM 240 CB ILE A 15 11.788 2.683 -3.701 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.380 2.018 -5.020 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.062 3.495 -3.880 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.206 2.991 -6.169 1.00 0.00 C ATOM 0 H ILE A 15 9.999 1.751 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 15 12.574 0.804 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 15 10.997 3.367 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.135 1.280 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.445 1.478 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.911 4.241 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.310 3.994 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.879 2.832 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.917 2.445 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.430 3.714 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.145 3.514 -6.348 1.00 0.00 H new ATOM 255 N GLY A 16 13.873 1.744 -1.128 1.00 0.00 N ATOM 256 CA GLY A 16 14.625 2.247 -0.006 1.00 0.00 C ATOM 257 C GLY A 16 15.913 1.490 0.200 1.00 0.00 C ATOM 258 O GLY A 16 16.090 0.389 -0.337 1.00 0.00 O ATOM 0 H GLY A 16 14.343 1.021 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.847 3.303 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.017 2.180 0.896 1.00 0.00 H new ATOM 262 N ASP A 17 16.811 2.086 0.970 1.00 0.00 N ATOM 263 CA ASP A 17 18.100 1.478 1.281 1.00 0.00 C ATOM 264 C ASP A 17 17.914 0.249 2.160 1.00 0.00 C ATOM 265 O ASP A 17 18.526 -0.793 1.934 1.00 0.00 O ATOM 266 CB ASP A 17 18.999 2.499 1.984 1.00 0.00 C ATOM 267 CG ASP A 17 20.286 1.895 2.507 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.202 1.640 1.700 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.396 1.703 3.737 1.00 0.00 O ATOM 0 H ASP A 17 16.669 3.002 1.397 1.00 0.00 H new ATOM 0 HA ASP A 17 18.573 1.166 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.238 3.304 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.451 2.947 2.813 1.00 0.00 H new ATOM 274 N ASP A 18 17.040 0.374 3.143 1.00 0.00 N ATOM 275 CA ASP A 18 16.755 -0.710 4.072 1.00 0.00 C ATOM 276 C ASP A 18 15.244 -0.852 4.218 1.00 0.00 C ATOM 277 O ASP A 18 14.501 0.025 3.784 1.00 0.00 O ATOM 278 CB ASP A 18 17.413 -0.419 5.428 1.00 0.00 C ATOM 279 CG ASP A 18 17.260 -1.557 6.418 1.00 0.00 C ATOM 280 OD1 ASP A 18 18.050 -2.522 6.353 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.341 -1.499 7.257 1.00 0.00 O ATOM 0 H ASP A 18 16.508 1.226 3.321 1.00 0.00 H new ATOM 0 HA ASP A 18 17.163 -1.647 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.473 -0.218 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.975 0.485 5.851 1.00 0.00 H new ATOM 286 N GLU A 19 14.785 -1.946 4.811 1.00 0.00 N ATOM 287 CA GLU A 19 13.355 -2.162 4.986 1.00 0.00 C ATOM 288 C GLU A 19 12.813 -1.218 6.062 1.00 0.00 C ATOM 289 O GLU A 19 11.628 -0.883 6.079 1.00 0.00 O ATOM 290 CB GLU A 19 13.086 -3.622 5.350 1.00 0.00 C ATOM 291 CG GLU A 19 11.645 -4.051 5.145 1.00 0.00 C ATOM 292 CD GLU A 19 11.429 -5.515 5.456 1.00 0.00 C ATOM 293 OE1 GLU A 19 11.896 -6.370 4.671 1.00 0.00 O ATOM 294 OE2 GLU A 19 10.787 -5.819 6.483 1.00 0.00 O ATOM 0 H GLU A 19 15.377 -2.692 5.176 1.00 0.00 H new ATOM 0 HA GLU A 19 12.840 -1.945 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.734 -4.261 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.358 -3.782 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.996 -3.448 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.354 -3.855 4.113 1.00 0.00 H new ATOM 301 N ASN A 20 13.699 -0.783 6.955 1.00 0.00 N ATOM 302 CA ASN A 20 13.355 0.230 7.949 1.00 0.00 C ATOM 303 C ASN A 20 13.549 1.609 7.345 1.00 0.00 C ATOM 304 O ASN A 20 12.840 2.559 7.673 1.00 0.00 O ATOM 305 CB ASN A 20 14.236 0.107 9.198 1.00 0.00 C ATOM 306 CG ASN A 20 14.154 -1.251 9.861 1.00 0.00 C ATOM 307 OD1 ASN A 20 13.129 -1.932 9.807 1.00 0.00 O ATOM 308 ND2 ASN A 20 15.239 -1.656 10.502 1.00 0.00 N ATOM 0 H ASN A 20 14.661 -1.117 7.010 1.00 0.00 H new ATOM 0 HA ASN A 20 12.316 0.081 8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.272 0.307 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.943 0.872 9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.245 -2.561 10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.069 -1.064 10.524 1.00 0.00 H new ATOM 315 N ASN A 21 14.514 1.698 6.438 1.00 0.00 N ATOM 316 CA ASN A 21 14.876 2.958 5.802 1.00 0.00 C ATOM 317 C ASN A 21 14.215 3.055 4.427 1.00 0.00 C ATOM 318 O ASN A 21 14.836 3.436 3.432 1.00 0.00 O ATOM 319 CB ASN A 21 16.404 3.058 5.678 1.00 0.00 C ATOM 320 CG ASN A 21 16.878 4.417 5.193 1.00 0.00 C ATOM 321 OD1 ASN A 21 16.243 5.440 5.445 1.00 0.00 O ATOM 322 ND2 ASN A 21 18.004 4.436 4.496 1.00 0.00 N ATOM 0 H ASN A 21 15.066 0.900 6.123 1.00 0.00 H new ATOM 0 HA ASN A 21 14.522 3.787 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.855 2.848 6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.757 2.290 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.373 5.321 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 21 18.502 3.566 4.308 1.00 0.00 H new ATOM 329 N ALA A 22 12.948 2.675 4.375 1.00 0.00 N ATOM 330 CA ALA A 22 12.173 2.769 3.151 1.00 0.00 C ATOM 331 C ALA A 22 11.680 4.196 2.955 1.00 0.00 C ATOM 332 O ALA A 22 10.952 4.732 3.793 1.00 0.00 O ATOM 333 CB ALA A 22 11.007 1.795 3.182 1.00 0.00 C ATOM 0 H ALA A 22 12.434 2.297 5.171 1.00 0.00 H new ATOM 0 HA ALA A 22 12.812 2.503 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.437 1.880 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.385 0.778 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.361 2.028 4.028 1.00 0.00 H new ATOM 339 N LEU A 23 12.084 4.809 1.857 1.00 0.00 N ATOM 340 CA LEU A 23 11.736 6.197 1.591 1.00 0.00 C ATOM 341 C LEU A 23 10.387 6.289 0.891 1.00 0.00 C ATOM 342 O LEU A 23 9.752 7.344 0.882 1.00 0.00 O ATOM 343 CB LEU A 23 12.819 6.866 0.743 1.00 0.00 C ATOM 344 CG LEU A 23 14.203 6.939 1.395 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.209 7.565 0.442 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.145 7.726 2.697 1.00 0.00 C ATOM 0 H LEU A 23 12.653 4.369 1.134 1.00 0.00 H new ATOM 0 HA LEU A 23 11.666 6.720 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.907 6.325 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.495 7.878 0.500 1.00 0.00 H new ATOM 0 HG LEU A 23 14.526 5.923 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.187 7.609 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.276 6.962 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.886 8.574 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.139 7.765 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.798 8.739 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.457 7.238 3.387 1.00 0.00 H new ATOM 358 N ALA A 24 9.959 5.180 0.304 1.00 0.00 N ATOM 359 CA ALA A 24 8.682 5.126 -0.387 1.00 0.00 C ATOM 360 C ALA A 24 8.228 3.687 -0.566 1.00 0.00 C ATOM 361 O ALA A 24 8.854 2.921 -1.298 1.00 0.00 O ATOM 362 CB ALA A 24 8.782 5.815 -1.738 1.00 0.00 C ATOM 0 H ALA A 24 10.481 4.304 0.294 1.00 0.00 H new ATOM 0 HA ALA A 24 7.943 5.648 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.818 5.766 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.064 6.858 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.536 5.316 -2.346 1.00 0.00 H new ATOM 368 N GLU A 25 7.154 3.310 0.112 1.00 0.00 N ATOM 369 CA GLU A 25 6.610 1.970 -0.045 1.00 0.00 C ATOM 370 C GLU A 25 5.126 2.030 -0.389 1.00 0.00 C ATOM 371 O GLU A 25 4.382 2.868 0.130 1.00 0.00 O ATOM 372 CB GLU A 25 6.850 1.110 1.210 1.00 0.00 C ATOM 373 CG GLU A 25 6.005 1.471 2.426 1.00 0.00 C ATOM 374 CD GLU A 25 6.350 2.819 3.025 1.00 0.00 C ATOM 375 OE1 GLU A 25 7.284 2.892 3.848 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.669 3.807 2.693 1.00 0.00 O ATOM 0 H GLU A 25 6.648 3.905 0.768 1.00 0.00 H new ATOM 0 HA GLU A 25 7.136 1.493 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.662 0.067 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.902 1.186 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.953 1.468 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.131 0.701 3.187 1.00 0.00 H new ATOM 383 N ILE A 26 4.711 1.150 -1.286 1.00 0.00 N ATOM 384 CA ILE A 26 3.322 1.080 -1.711 1.00 0.00 C ATOM 385 C ILE A 26 2.788 -0.342 -1.549 1.00 0.00 C ATOM 386 O ILE A 26 3.423 -1.311 -1.973 1.00 0.00 O ATOM 387 CB ILE A 26 3.148 1.552 -3.178 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.682 1.443 -3.608 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.041 0.754 -4.118 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.427 1.917 -5.021 1.00 0.00 C ATOM 0 H ILE A 26 5.322 0.469 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 26 2.748 1.753 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 26 3.448 2.598 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.363 0.405 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.067 2.025 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.899 1.105 -5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.084 0.887 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.780 -0.303 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.368 1.810 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.714 2.965 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.015 1.319 -5.717 1.00 0.00 H new ATOM 402 N THR A 27 1.638 -0.464 -0.911 1.00 0.00 N ATOM 403 CA THR A 27 1.025 -1.760 -0.696 1.00 0.00 C ATOM 404 C THR A 27 -0.246 -1.896 -1.526 1.00 0.00 C ATOM 405 O THR A 27 -1.039 -0.956 -1.626 1.00 0.00 O ATOM 406 CB THR A 27 0.677 -1.985 0.791 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.197 -0.949 1.253 1.00 0.00 O ATOM 408 CG2 THR A 27 1.926 -2.008 1.660 1.00 0.00 C ATOM 0 H THR A 27 1.109 0.322 -0.532 1.00 0.00 H new ATOM 0 HA THR A 27 1.751 -2.512 -1.005 1.00 0.00 H new ATOM 0 HB THR A 27 0.183 -2.953 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.734 -1.284 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.643 -2.168 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.581 -2.816 1.334 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.450 -1.057 1.569 1.00 0.00 H new ATOM 416 N TYR A 28 -0.438 -3.063 -2.121 1.00 0.00 N ATOM 417 CA TYR A 28 -1.653 -3.342 -2.867 1.00 0.00 C ATOM 418 C TYR A 28 -2.378 -4.518 -2.227 1.00 0.00 C ATOM 419 O TYR A 28 -1.833 -5.614 -2.105 1.00 0.00 O ATOM 420 CB TYR A 28 -1.360 -3.597 -4.360 1.00 0.00 C ATOM 421 CG TYR A 28 -0.399 -4.736 -4.648 1.00 0.00 C ATOM 422 CD1 TYR A 28 0.976 -4.534 -4.653 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.873 -6.010 -4.934 1.00 0.00 C ATOM 424 CE1 TYR A 28 1.849 -5.571 -4.928 1.00 0.00 C ATOM 425 CE2 TYR A 28 -0.007 -7.050 -5.210 1.00 0.00 C ATOM 426 CZ TYR A 28 1.352 -6.827 -5.205 1.00 0.00 C ATOM 427 OH TYR A 28 2.219 -7.864 -5.482 1.00 0.00 O ATOM 0 H TYR A 28 0.232 -3.831 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.300 -2.465 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.302 -3.801 -4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.955 -2.683 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.369 -3.551 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.938 -6.191 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.915 -5.398 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.394 -8.034 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 28 1.707 -8.682 -5.654 1.00 0.00 H new ATOM 437 N ARG A 29 -3.596 -4.275 -1.784 1.00 0.00 N ATOM 438 CA ARG A 29 -4.353 -5.284 -1.069 1.00 0.00 C ATOM 439 C ARG A 29 -5.395 -5.902 -1.985 1.00 0.00 C ATOM 440 O ARG A 29 -5.931 -5.239 -2.876 1.00 0.00 O ATOM 441 CB ARG A 29 -5.024 -4.669 0.156 1.00 0.00 C ATOM 442 CG ARG A 29 -5.172 -5.625 1.328 1.00 0.00 C ATOM 443 CD ARG A 29 -3.822 -5.952 1.957 1.00 0.00 C ATOM 444 NE ARG A 29 -3.179 -4.769 2.545 1.00 0.00 N ATOM 445 CZ ARG A 29 -2.043 -4.811 3.254 1.00 0.00 C ATOM 446 NH1 ARG A 29 -1.433 -5.971 3.470 1.00 0.00 N ATOM 447 NH2 ARG A 29 -1.522 -3.698 3.765 1.00 0.00 N ATOM 0 H ARG A 29 -4.083 -3.387 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.670 -6.066 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.445 -3.803 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.011 -4.304 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.827 -5.183 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.650 -6.545 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.957 -6.710 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.165 -6.381 1.200 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.624 -3.862 2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.829 -6.833 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.568 -6.000 4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.988 -2.803 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.657 -3.740 4.303 1.00 0.00 H new ATOM 461 N PHE A 30 -5.684 -7.163 -1.747 1.00 0.00 N ATOM 462 CA PHE A 30 -6.590 -7.921 -2.601 1.00 0.00 C ATOM 463 C PHE A 30 -7.990 -7.955 -2.005 1.00 0.00 C ATOM 464 O PHE A 30 -8.235 -8.648 -1.018 1.00 0.00 O ATOM 465 CB PHE A 30 -6.084 -9.356 -2.798 1.00 0.00 C ATOM 466 CG PHE A 30 -4.830 -9.461 -3.621 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.589 -9.230 -3.053 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.898 -9.804 -4.960 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.437 -9.336 -3.809 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.751 -9.911 -5.722 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.519 -9.678 -5.145 1.00 0.00 C ATOM 0 H PHE A 30 -5.304 -7.694 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.626 -7.422 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.902 -9.802 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.868 -9.943 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.520 -8.964 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.860 -9.990 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.474 -9.152 -3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.818 -10.176 -6.767 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.620 -9.763 -5.737 1.00 0.00 H new ATOM 481 N VAL A 31 -8.907 -7.207 -2.601 1.00 0.00 N ATOM 482 CA VAL A 31 -10.279 -7.187 -2.119 1.00 0.00 C ATOM 483 C VAL A 31 -11.087 -8.321 -2.740 1.00 0.00 C ATOM 484 O VAL A 31 -11.837 -9.007 -2.043 1.00 0.00 O ATOM 485 CB VAL A 31 -10.978 -5.830 -2.370 1.00 0.00 C ATOM 486 CG1 VAL A 31 -10.391 -4.763 -1.461 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.866 -5.403 -3.826 1.00 0.00 C ATOM 0 H VAL A 31 -8.729 -6.612 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.233 -7.330 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.037 -5.953 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.891 -3.812 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.536 -5.052 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.325 -4.658 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.369 -4.446 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.815 -5.303 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.334 -6.154 -4.462 1.00 0.00 H new ATOM 497 N ASP A 32 -10.908 -8.551 -4.038 1.00 0.00 N ATOM 498 CA ASP A 32 -11.631 -9.617 -4.721 1.00 0.00 C ATOM 499 C ASP A 32 -10.859 -10.136 -5.926 1.00 0.00 C ATOM 500 O ASP A 32 -10.844 -9.506 -6.983 1.00 0.00 O ATOM 501 CB ASP A 32 -13.015 -9.139 -5.164 1.00 0.00 C ATOM 502 CG ASP A 32 -13.796 -10.232 -5.868 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.180 -11.215 -5.202 1.00 0.00 O ATOM 504 OD2 ASP A 32 -14.031 -10.113 -7.086 1.00 0.00 O ATOM 0 H ASP A 32 -10.274 -8.018 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.745 -10.434 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.575 -8.796 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.907 -8.284 -5.831 1.00 0.00 H new ATOM 509 N ASN A 33 -10.189 -11.268 -5.726 1.00 0.00 N ATOM 510 CA ASN A 33 -9.518 -12.019 -6.791 1.00 0.00 C ATOM 511 C ASN A 33 -8.425 -11.206 -7.489 1.00 0.00 C ATOM 512 O ASN A 33 -7.251 -11.322 -7.152 1.00 0.00 O ATOM 513 CB ASN A 33 -10.543 -12.530 -7.813 1.00 0.00 C ATOM 514 CG ASN A 33 -9.922 -13.427 -8.872 1.00 0.00 C ATOM 515 OD1 ASN A 33 -9.525 -12.966 -9.939 1.00 0.00 O ATOM 516 ND2 ASN A 33 -9.844 -14.719 -8.588 1.00 0.00 N ATOM 0 H ASN A 33 -10.094 -11.698 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 33 -9.026 -12.869 -6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.326 -13.080 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.020 -11.679 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.444 -15.367 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.184 -15.065 -7.691 1.00 0.00 H new ATOM 523 N ASN A 34 -8.819 -10.379 -8.447 1.00 0.00 N ATOM 524 CA ASN A 34 -7.860 -9.646 -9.267 1.00 0.00 C ATOM 525 C ASN A 34 -8.019 -8.143 -9.091 1.00 0.00 C ATOM 526 O ASN A 34 -7.317 -7.353 -9.727 1.00 0.00 O ATOM 527 CB ASN A 34 -8.019 -10.022 -10.745 1.00 0.00 C ATOM 528 CG ASN A 34 -9.374 -9.640 -11.311 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.558 -8.538 -11.825 1.00 0.00 O ATOM 530 ND2 ASN A 34 -10.327 -10.556 -11.240 1.00 0.00 N ATOM 0 H ASN A 34 -9.796 -10.198 -8.677 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.859 -9.924 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.238 -9.531 -11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.874 -11.096 -10.859 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.253 -10.359 -11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.135 -11.459 -10.806 1.00 0.00 H new ATOM 537 N GLU A 35 -8.944 -7.746 -8.234 1.00 0.00 N ATOM 538 CA GLU A 35 -9.140 -6.342 -7.936 1.00 0.00 C ATOM 539 C GLU A 35 -8.274 -5.953 -6.745 1.00 0.00 C ATOM 540 O GLU A 35 -8.499 -6.415 -5.622 1.00 0.00 O ATOM 541 CB GLU A 35 -10.617 -6.051 -7.656 1.00 0.00 C ATOM 542 CG GLU A 35 -10.942 -4.568 -7.553 1.00 0.00 C ATOM 543 CD GLU A 35 -12.430 -4.304 -7.427 1.00 0.00 C ATOM 544 OE1 GLU A 35 -13.164 -4.527 -8.416 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.874 -3.872 -6.348 1.00 0.00 O ATOM 0 H GLU A 35 -9.570 -8.377 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.843 -5.746 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.221 -6.492 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.904 -6.542 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.428 -4.146 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.559 -4.054 -8.435 1.00 0.00 H new ATOM 552 N ILE A 36 -7.268 -5.136 -7.002 1.00 0.00 N ATOM 553 CA ILE A 36 -6.343 -4.716 -5.964 1.00 0.00 C ATOM 554 C ILE A 36 -6.518 -3.237 -5.661 1.00 0.00 C ATOM 555 O ILE A 36 -6.827 -2.441 -6.552 1.00 0.00 O ATOM 556 CB ILE A 36 -4.872 -4.987 -6.356 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.522 -4.294 -7.680 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.616 -6.484 -6.453 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.067 -4.427 -8.075 1.00 0.00 C ATOM 0 H ILE A 36 -7.070 -4.749 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.573 -5.304 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.230 -4.574 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.143 -4.711 -8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.772 -3.236 -7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.576 -6.658 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.818 -6.951 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.270 -6.917 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.898 -3.912 -9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.438 -3.984 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.815 -5.482 -8.187 1.00 0.00 H new ATOM 571 N ASN A 37 -6.337 -2.873 -4.405 1.00 0.00 N ATOM 572 CA ASN A 37 -6.445 -1.483 -4.004 1.00 0.00 C ATOM 573 C ASN A 37 -5.163 -1.038 -3.326 1.00 0.00 C ATOM 574 O ASN A 37 -4.540 -1.810 -2.597 1.00 0.00 O ATOM 575 CB ASN A 37 -7.643 -1.263 -3.066 1.00 0.00 C ATOM 576 CG ASN A 37 -7.378 -1.666 -1.623 1.00 0.00 C ATOM 577 OD1 ASN A 37 -6.935 -0.852 -0.812 1.00 0.00 O ATOM 578 ND2 ASN A 37 -7.664 -2.913 -1.289 1.00 0.00 N ATOM 0 H ASN A 37 -6.115 -3.519 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.606 -0.884 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.925 -0.210 -3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.495 -1.831 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.519 -3.230 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.029 -3.558 -1.990 1.00 0.00 H new ATOM 585 N ILE A 38 -4.748 0.188 -3.596 1.00 0.00 N ATOM 586 CA ILE A 38 -3.621 0.767 -2.889 1.00 0.00 C ATOM 587 C ILE A 38 -4.022 1.062 -1.450 1.00 0.00 C ATOM 588 O ILE A 38 -4.845 1.943 -1.187 1.00 0.00 O ATOM 589 CB ILE A 38 -3.086 2.057 -3.558 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.287 1.733 -4.827 1.00 0.00 C ATOM 591 CG2 ILE A 38 -2.218 2.838 -2.584 1.00 0.00 C ATOM 592 CD1 ILE A 38 -3.121 1.225 -5.980 1.00 0.00 C ATOM 0 H ILE A 38 -5.172 0.798 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.813 0.036 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.944 2.667 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.757 2.630 -5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.532 0.986 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.850 3.742 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.808 3.111 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.373 2.222 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.475 1.022 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.631 0.308 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.859 1.978 -6.255 1.00 0.00 H new ATOM 604 N ASP A 39 -3.448 0.303 -0.535 1.00 0.00 N ATOM 605 CA ASP A 39 -3.740 0.442 0.883 1.00 0.00 C ATOM 606 C ASP A 39 -2.851 1.505 1.515 1.00 0.00 C ATOM 607 O ASP A 39 -3.313 2.338 2.296 1.00 0.00 O ATOM 608 CB ASP A 39 -3.557 -0.913 1.578 1.00 0.00 C ATOM 609 CG ASP A 39 -3.317 -0.799 3.070 1.00 0.00 C ATOM 610 OD1 ASP A 39 -4.257 -0.447 3.812 1.00 0.00 O ATOM 611 OD2 ASP A 39 -2.185 -1.096 3.508 1.00 0.00 O ATOM 0 H ASP A 39 -2.768 -0.426 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.774 0.764 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.444 -1.523 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.717 -1.436 1.122 1.00 0.00 H new ATOM 616 N HIS A 40 -1.582 1.490 1.154 1.00 0.00 N ATOM 617 CA HIS A 40 -0.620 2.428 1.708 1.00 0.00 C ATOM 618 C HIS A 40 0.348 2.910 0.633 1.00 0.00 C ATOM 619 O HIS A 40 0.759 2.143 -0.236 1.00 0.00 O ATOM 620 CB HIS A 40 0.149 1.769 2.868 1.00 0.00 C ATOM 621 CG HIS A 40 1.333 2.555 3.358 1.00 0.00 C ATOM 622 ND1 HIS A 40 1.244 3.521 4.332 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.637 2.511 2.996 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.437 4.042 4.546 1.00 0.00 C ATOM 625 NE2 HIS A 40 3.300 3.446 3.746 1.00 0.00 N ATOM 0 H HIS A 40 -1.190 0.836 0.476 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.160 3.295 2.089 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.537 1.614 3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.490 0.784 2.548 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.073 1.859 2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.668 4.823 5.255 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.298 3.648 3.694 1.00 0.00 H new ATOM 634 N THR A 41 0.689 4.184 0.698 1.00 0.00 N ATOM 635 CA THR A 41 1.718 4.757 -0.150 1.00 0.00 C ATOM 636 C THR A 41 2.440 5.858 0.617 1.00 0.00 C ATOM 637 O THR A 41 1.950 6.982 0.725 1.00 0.00 O ATOM 638 CB THR A 41 1.136 5.330 -1.458 1.00 0.00 C ATOM 639 OG1 THR A 41 0.396 4.319 -2.146 1.00 0.00 O ATOM 640 CG2 THR A 41 2.243 5.851 -2.365 1.00 0.00 C ATOM 0 H THR A 41 0.260 4.851 1.340 1.00 0.00 H new ATOM 0 HA THR A 41 2.414 3.963 -0.422 1.00 0.00 H new ATOM 0 HB THR A 41 0.476 6.159 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.685 4.282 -3.082 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.806 6.250 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.793 6.640 -1.852 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.924 5.037 -2.613 1.00 0.00 H new ATOM 648 N GLY A 42 3.580 5.514 1.189 1.00 0.00 N ATOM 649 CA GLY A 42 4.327 6.465 1.979 1.00 0.00 C ATOM 650 C GLY A 42 5.570 6.920 1.262 1.00 0.00 C ATOM 651 O GLY A 42 6.618 6.287 1.364 1.00 0.00 O ATOM 0 H GLY A 42 4.003 4.589 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.699 7.327 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.600 6.013 2.932 1.00 0.00 H new ATOM 655 N VAL A 43 5.449 7.998 0.509 1.00 0.00 N ATOM 656 CA VAL A 43 6.568 8.522 -0.248 1.00 0.00 C ATOM 657 C VAL A 43 7.109 9.791 0.399 1.00 0.00 C ATOM 658 O VAL A 43 6.473 10.845 0.350 1.00 0.00 O ATOM 659 CB VAL A 43 6.171 8.827 -1.712 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.375 9.305 -2.512 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.542 7.605 -2.365 1.00 0.00 C ATOM 0 H VAL A 43 4.584 8.528 0.406 1.00 0.00 H new ATOM 0 HA VAL A 43 7.342 7.754 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 43 5.431 9.628 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.071 9.513 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.774 10.213 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.143 8.531 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.270 7.842 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.256 6.781 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.649 7.316 -1.811 1.00 0.00 H new ATOM 671 N SER A 44 8.263 9.678 1.029 1.00 0.00 N ATOM 672 CA SER A 44 8.939 10.843 1.563 1.00 0.00 C ATOM 673 C SER A 44 9.889 11.403 0.523 1.00 0.00 C ATOM 674 O SER A 44 10.759 10.695 0.013 1.00 0.00 O ATOM 675 CB SER A 44 9.683 10.500 2.853 1.00 0.00 C ATOM 676 OG SER A 44 10.379 9.271 2.735 1.00 0.00 O ATOM 0 H SER A 44 8.750 8.795 1.183 1.00 0.00 H new ATOM 0 HA SER A 44 8.194 11.601 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.387 11.297 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.975 10.441 3.679 1.00 0.00 H new ATOM 0 HG SER A 44 10.658 9.141 1.805 1.00 0.00 H new ATOM 766 N VAL A 52 9.571 9.022 -7.365 1.00 0.00 N ATOM 767 CA VAL A 52 9.699 7.685 -6.783 1.00 0.00 C ATOM 768 C VAL A 52 8.332 7.008 -6.689 1.00 0.00 C ATOM 769 O VAL A 52 8.178 5.843 -7.055 1.00 0.00 O ATOM 770 CB VAL A 52 10.343 7.728 -5.376 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.467 6.327 -4.799 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.706 8.399 -5.426 1.00 0.00 C ATOM 0 HA VAL A 52 10.350 7.111 -7.442 1.00 0.00 H new ATOM 0 HB VAL A 52 9.693 8.315 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.922 6.380 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.477 5.877 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.091 5.718 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.139 8.418 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.362 7.842 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.596 9.419 -5.793 1.00 0.00 H new ATOM 782 N GLY A 53 7.342 7.760 -6.218 1.00 0.00 N ATOM 783 CA GLY A 53 5.994 7.236 -6.107 1.00 0.00 C ATOM 784 C GLY A 53 5.422 6.830 -7.451 1.00 0.00 C ATOM 785 O GLY A 53 4.756 5.804 -7.564 1.00 0.00 O ATOM 0 H GLY A 53 7.451 8.726 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.995 6.374 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.350 7.989 -5.653 1.00 0.00 H new ATOM 789 N LYS A 54 5.702 7.624 -8.478 1.00 0.00 N ATOM 790 CA LYS A 54 5.200 7.344 -9.818 1.00 0.00 C ATOM 791 C LYS A 54 5.863 6.093 -10.388 1.00 0.00 C ATOM 792 O LYS A 54 5.233 5.317 -11.104 1.00 0.00 O ATOM 793 CB LYS A 54 5.439 8.542 -10.743 1.00 0.00 C ATOM 794 CG LYS A 54 4.844 8.367 -12.133 1.00 0.00 C ATOM 795 CD LYS A 54 5.078 9.590 -13.000 1.00 0.00 C ATOM 796 CE LYS A 54 4.443 9.430 -14.372 1.00 0.00 C ATOM 797 NZ LYS A 54 2.969 9.241 -14.288 1.00 0.00 N ATOM 0 H LYS A 54 6.273 8.466 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 54 4.127 7.167 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.014 9.435 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.512 8.711 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.285 7.492 -12.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.774 8.179 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.666 10.471 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.149 9.759 -13.111 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.661 10.310 -14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.889 8.575 -14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.566 9.221 -15.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.761 8.343 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.548 10.027 -13.752 1.00 0.00 H new ATOM 811 N LYS A 55 7.134 5.897 -10.057 1.00 0.00 N ATOM 812 CA LYS A 55 7.863 4.717 -10.508 1.00 0.00 C ATOM 813 C LYS A 55 7.308 3.466 -9.841 1.00 0.00 C ATOM 814 O LYS A 55 7.189 2.416 -10.479 1.00 0.00 O ATOM 815 CB LYS A 55 9.357 4.860 -10.224 1.00 0.00 C ATOM 816 CG LYS A 55 9.998 6.025 -10.961 1.00 0.00 C ATOM 817 CD LYS A 55 11.495 6.088 -10.719 1.00 0.00 C ATOM 818 CE LYS A 55 12.119 7.269 -11.443 1.00 0.00 C ATOM 819 NZ LYS A 55 11.848 7.238 -12.904 1.00 0.00 N ATOM 0 H LYS A 55 7.680 6.537 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 55 7.732 4.623 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.506 4.991 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.864 3.937 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.806 5.929 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.537 6.958 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.690 6.169 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.960 5.163 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.731 8.197 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.196 7.269 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.464 7.924 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.038 6.284 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.853 7.485 -13.078 1.00 0.00 H new ATOM 833 N LEU A 56 6.958 3.584 -8.564 1.00 0.00 N ATOM 834 CA LEU A 56 6.290 2.499 -7.856 1.00 0.00 C ATOM 835 C LEU A 56 4.960 2.184 -8.524 1.00 0.00 C ATOM 836 O LEU A 56 4.661 1.027 -8.811 1.00 0.00 O ATOM 837 CB LEU A 56 6.063 2.865 -6.387 1.00 0.00 C ATOM 838 CG LEU A 56 7.317 2.855 -5.515 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.008 3.411 -4.135 1.00 0.00 C ATOM 840 CD2 LEU A 56 7.876 1.444 -5.409 1.00 0.00 C ATOM 0 H LEU A 56 7.125 4.417 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 56 6.930 1.618 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.615 3.858 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.339 2.169 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 56 8.070 3.491 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.912 3.397 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.649 4.436 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.241 2.800 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.769 1.453 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.128 0.789 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.132 1.078 -6.403 1.00 0.00 H new ATOM 852 N LEU A 57 4.181 3.229 -8.787 1.00 0.00 N ATOM 853 CA LEU A 57 2.911 3.092 -9.490 1.00 0.00 C ATOM 854 C LEU A 57 3.107 2.386 -10.826 1.00 0.00 C ATOM 855 O LEU A 57 2.379 1.452 -11.152 1.00 0.00 O ATOM 856 CB LEU A 57 2.273 4.464 -9.720 1.00 0.00 C ATOM 857 CG LEU A 57 1.235 4.899 -8.679 1.00 0.00 C ATOM 858 CD1 LEU A 57 1.806 4.845 -7.271 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.733 6.299 -8.993 1.00 0.00 C ATOM 0 H LEU A 57 4.410 4.187 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 57 2.247 2.491 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.065 5.212 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.798 4.463 -10.701 1.00 0.00 H new ATOM 0 HG LEU A 57 0.398 4.202 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.045 5.159 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.118 3.826 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.666 5.511 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.004 6.597 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.569 6.998 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.273 6.307 -9.981 1.00 0.00 H new ATOM 871 N LYS A 58 4.105 2.832 -11.582 1.00 0.00 N ATOM 872 CA LYS A 58 4.410 2.248 -12.881 1.00 0.00 C ATOM 873 C LYS A 58 4.702 0.757 -12.749 1.00 0.00 C ATOM 874 O LYS A 58 4.175 -0.049 -13.506 1.00 0.00 O ATOM 875 CB LYS A 58 5.609 2.959 -13.514 1.00 0.00 C ATOM 876 CG LYS A 58 5.857 2.571 -14.965 1.00 0.00 C ATOM 877 CD LYS A 58 7.128 3.208 -15.503 1.00 0.00 C ATOM 878 CE LYS A 58 8.367 2.603 -14.861 1.00 0.00 C ATOM 879 NZ LYS A 58 8.560 1.182 -15.257 1.00 0.00 N ATOM 0 H LYS A 58 4.719 3.601 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 58 3.539 2.376 -13.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.452 4.036 -13.457 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.502 2.736 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.930 1.486 -15.045 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.008 2.879 -15.575 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.174 3.074 -16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.106 4.281 -15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.244 3.182 -15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.283 2.669 -13.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.521 0.878 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.865 0.587 -14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.430 1.087 -16.284 1.00 0.00 H new ATOM 893 N ALA A 59 5.529 0.400 -11.776 1.00 0.00 N ATOM 894 CA ALA A 59 5.878 -0.998 -11.539 1.00 0.00 C ATOM 895 C ALA A 59 4.644 -1.815 -11.169 1.00 0.00 C ATOM 896 O ALA A 59 4.489 -2.957 -11.611 1.00 0.00 O ATOM 897 CB ALA A 59 6.929 -1.102 -10.449 1.00 0.00 C ATOM 0 H ALA A 59 5.972 1.059 -11.136 1.00 0.00 H new ATOM 0 HA ALA A 59 6.289 -1.406 -12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.179 -2.150 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.824 -0.559 -10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.540 -0.672 -9.526 1.00 0.00 H new ATOM 903 N VAL A 60 3.767 -1.226 -10.361 1.00 0.00 N ATOM 904 CA VAL A 60 2.506 -1.867 -10.011 1.00 0.00 C ATOM 905 C VAL A 60 1.656 -2.065 -11.260 1.00 0.00 C ATOM 906 O VAL A 60 1.117 -3.147 -11.482 1.00 0.00 O ATOM 907 CB VAL A 60 1.713 -1.052 -8.963 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.370 -1.702 -8.664 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.522 -0.899 -7.684 1.00 0.00 C ATOM 0 H VAL A 60 3.907 -0.308 -9.938 1.00 0.00 H new ATOM 0 HA VAL A 60 2.743 -2.835 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 60 1.525 -0.063 -9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.165 -1.107 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.219 -1.758 -9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.531 -2.707 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.949 -0.323 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.743 -1.884 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.455 -0.380 -7.904 1.00 0.00 H new ATOM 919 N VAL A 61 1.564 -1.021 -12.083 1.00 0.00 N ATOM 920 CA VAL A 61 0.832 -1.089 -13.346 1.00 0.00 C ATOM 921 C VAL A 61 1.404 -2.180 -14.247 1.00 0.00 C ATOM 922 O VAL A 61 0.659 -2.962 -14.832 1.00 0.00 O ATOM 923 CB VAL A 61 0.861 0.266 -14.093 1.00 0.00 C ATOM 924 CG1 VAL A 61 0.194 0.159 -15.458 1.00 0.00 C ATOM 925 CG2 VAL A 61 0.185 1.345 -13.264 1.00 0.00 C ATOM 0 H VAL A 61 1.990 -0.113 -11.896 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.203 -1.329 -13.104 1.00 0.00 H new ATOM 0 HB VAL A 61 1.905 0.539 -14.246 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.231 1.127 -15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.718 -0.581 -16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.845 -0.145 -15.332 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.215 2.291 -13.804 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.852 1.065 -13.079 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.707 1.454 -12.313 1.00 0.00 H new ATOM 935 N GLU A 62 2.729 -2.232 -14.336 1.00 0.00 N ATOM 936 CA GLU A 62 3.416 -3.253 -15.121 1.00 0.00 C ATOM 937 C GLU A 62 3.005 -4.653 -14.676 1.00 0.00 C ATOM 938 O GLU A 62 2.512 -5.449 -15.474 1.00 0.00 O ATOM 939 CB GLU A 62 4.933 -3.096 -14.985 1.00 0.00 C ATOM 940 CG GLU A 62 5.483 -1.829 -15.612 1.00 0.00 C ATOM 941 CD GLU A 62 5.183 -1.730 -17.092 1.00 0.00 C ATOM 942 OE1 GLU A 62 5.853 -2.419 -17.885 1.00 0.00 O ATOM 943 OE2 GLU A 62 4.294 -0.940 -17.469 1.00 0.00 O ATOM 0 H GLU A 62 3.353 -1.573 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 62 3.131 -3.121 -16.165 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.195 -3.109 -13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.419 -3.957 -15.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.061 -0.963 -15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.562 -1.793 -15.461 1.00 0.00 H new ATOM 950 N HIS A 63 3.198 -4.935 -13.392 1.00 0.00 N ATOM 951 CA HIS A 63 2.875 -6.243 -12.831 1.00 0.00 C ATOM 952 C HIS A 63 1.380 -6.526 -12.945 1.00 0.00 C ATOM 953 O HIS A 63 0.971 -7.649 -13.239 1.00 0.00 O ATOM 954 CB HIS A 63 3.319 -6.307 -11.366 1.00 0.00 C ATOM 955 CG HIS A 63 3.129 -7.648 -10.728 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.982 -8.706 -10.944 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.183 -8.099 -9.873 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.571 -9.748 -10.252 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.479 -9.408 -9.589 1.00 0.00 N ATOM 0 H HIS A 63 3.578 -4.272 -12.717 1.00 0.00 H new ATOM 0 HA HIS A 63 3.409 -7.006 -13.398 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.372 -6.033 -11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.762 -5.563 -10.796 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.349 -7.533 -9.485 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.046 -10.718 -10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.945 -10.018 -8.969 1.00 0.00 H new ATOM 968 N ALA A 64 0.567 -5.499 -12.716 1.00 0.00 N ATOM 969 CA ALA A 64 -0.878 -5.634 -12.811 1.00 0.00 C ATOM 970 C ALA A 64 -1.297 -5.981 -14.232 1.00 0.00 C ATOM 971 O ALA A 64 -2.132 -6.848 -14.437 1.00 0.00 O ATOM 972 CB ALA A 64 -1.579 -4.362 -12.354 1.00 0.00 C ATOM 0 H ALA A 64 0.887 -4.564 -12.463 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.178 -6.448 -12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.658 -4.492 -12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.316 -4.154 -11.317 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.265 -3.528 -12.982 1.00 0.00 H new ATOM 978 N ARG A 65 -0.694 -5.315 -15.208 1.00 0.00 N ATOM 979 CA ARG A 65 -1.038 -5.530 -16.608 1.00 0.00 C ATOM 980 C ARG A 65 -0.681 -6.946 -17.054 1.00 0.00 C ATOM 981 O ARG A 65 -1.372 -7.534 -17.886 1.00 0.00 O ATOM 982 CB ARG A 65 -0.333 -4.501 -17.495 1.00 0.00 C ATOM 983 CG ARG A 65 -1.296 -3.667 -18.321 1.00 0.00 C ATOM 984 CD ARG A 65 -2.109 -4.541 -19.263 1.00 0.00 C ATOM 985 NE ARG A 65 -3.177 -3.800 -19.918 1.00 0.00 N ATOM 986 CZ ARG A 65 -3.838 -4.237 -20.983 1.00 0.00 C ATOM 987 NH1 ARG A 65 -3.522 -5.409 -21.526 1.00 0.00 N ATOM 988 NH2 ARG A 65 -4.811 -3.506 -21.501 1.00 0.00 N ATOM 0 H ARG A 65 0.037 -4.620 -15.056 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.116 -5.405 -16.711 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.266 -3.840 -16.869 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.356 -5.018 -18.163 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.966 -3.119 -17.659 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.740 -2.927 -18.896 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.450 -4.969 -20.018 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.537 -5.374 -18.705 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.433 -2.890 -19.535 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.772 -5.972 -21.124 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.030 -5.745 -22.344 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.052 -2.608 -21.082 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.320 -3.840 -22.319 1.00 0.00 H new ATOM 1002 N GLU A 66 0.388 -7.492 -16.490 1.00 0.00 N ATOM 1003 CA GLU A 66 0.808 -8.852 -16.802 1.00 0.00 C ATOM 1004 C GLU A 66 -0.182 -9.869 -16.236 1.00 0.00 C ATOM 1005 O GLU A 66 -0.447 -10.899 -16.853 1.00 0.00 O ATOM 1006 CB GLU A 66 2.211 -9.116 -16.249 1.00 0.00 C ATOM 1007 CG GLU A 66 3.274 -8.198 -16.831 1.00 0.00 C ATOM 1008 CD GLU A 66 4.647 -8.447 -16.244 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.916 -7.977 -15.121 1.00 0.00 O ATOM 1010 OE2 GLU A 66 5.476 -9.100 -16.914 1.00 0.00 O ATOM 0 H GLU A 66 0.981 -7.013 -15.813 1.00 0.00 H new ATOM 0 HA GLU A 66 0.831 -8.961 -17.886 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.194 -8.998 -15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.485 -10.151 -16.453 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.315 -8.336 -17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.990 -7.161 -16.652 1.00 0.00 H new ATOM 1017 N ASN A 67 -0.737 -9.569 -15.071 1.00 0.00 N ATOM 1018 CA ASN A 67 -1.657 -10.490 -14.406 1.00 0.00 C ATOM 1019 C ASN A 67 -3.114 -10.127 -14.697 1.00 0.00 C ATOM 1020 O ASN A 67 -4.032 -10.803 -14.233 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.422 -10.485 -12.892 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.014 -10.884 -12.490 1.00 0.00 C ATOM 1023 OD1 ASN A 67 0.500 -10.423 -11.473 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.623 -11.743 -13.270 1.00 0.00 N ATOM 0 H ASN A 67 -0.569 -8.699 -14.565 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.462 -11.488 -14.799 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.632 -9.488 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.131 -11.166 -12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.569 -12.041 -13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.167 -12.107 -14.107 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.303 -9.062 -15.474 1.00 0.00 N ATOM 1032 CA ASN A 68 -4.632 -8.521 -15.781 1.00 0.00 C ATOM 1033 C ASN A 68 -5.376 -8.150 -14.492 1.00 0.00 C ATOM 1034 O ASN A 68 -6.550 -8.476 -14.302 1.00 0.00 O ATOM 1035 CB ASN A 68 -5.456 -9.503 -16.629 1.00 0.00 C ATOM 1036 CG ASN A 68 -6.770 -8.894 -17.109 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -6.874 -7.679 -17.301 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -7.778 -9.727 -17.294 1.00 0.00 N ATOM 0 H ASN A 68 -2.539 -8.547 -15.911 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.495 -7.614 -16.370 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.868 -9.817 -17.491 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.666 -10.398 -16.043 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.682 -9.372 -17.606 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.653 -10.725 -17.125 1.00 0.00 H new ATOM 1045 N LEU A 69 -4.679 -7.452 -13.611 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.265 -6.979 -12.371 1.00 0.00 C ATOM 1047 C LEU A 69 -5.860 -5.594 -12.577 1.00 0.00 C ATOM 1048 O LEU A 69 -5.353 -4.802 -13.377 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.206 -6.917 -11.269 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.455 -8.223 -11.002 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.376 -8.010 -9.953 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.416 -9.313 -10.560 1.00 0.00 C ATOM 0 H LEU A 69 -3.699 -7.199 -13.735 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.049 -7.674 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.480 -6.148 -11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.688 -6.600 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.979 -8.541 -11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.851 -8.949 -9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.668 -7.260 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.834 -7.668 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.862 -10.233 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.921 -9.004 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.155 -9.485 -11.342 1.00 0.00 H new ATOM 1064 N LYS A 70 -6.932 -5.303 -11.863 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.550 -3.992 -11.926 1.00 0.00 C ATOM 1066 C LYS A 70 -7.235 -3.223 -10.654 1.00 0.00 C ATOM 1067 O LYS A 70 -7.289 -3.775 -9.554 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.063 -4.090 -12.143 1.00 0.00 C ATOM 1069 CG LYS A 70 -9.463 -4.470 -13.568 1.00 0.00 C ATOM 1070 CD LYS A 70 -9.130 -5.919 -13.897 1.00 0.00 C ATOM 1071 CE LYS A 70 -9.482 -6.266 -15.336 1.00 0.00 C ATOM 1072 NZ LYS A 70 -8.572 -5.611 -16.318 1.00 0.00 N ATOM 0 H LYS A 70 -7.393 -5.958 -11.232 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.139 -3.457 -12.782 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.472 -4.828 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.519 -3.132 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.533 -4.307 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.953 -3.814 -14.273 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.067 -6.095 -13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.672 -6.579 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.436 -7.347 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.509 -5.963 -15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.136 -5.150 -17.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.991 -4.899 -15.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.953 -6.327 -16.749 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.903 -1.954 -10.815 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.357 -1.159 -9.729 1.00 0.00 C ATOM 1088 C ILE A 71 -7.325 -0.082 -9.243 1.00 0.00 C ATOM 1089 O ILE A 71 -7.842 0.720 -10.027 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.030 -0.492 -10.158 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -3.989 -1.562 -10.509 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.509 0.428 -9.062 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.659 -0.994 -10.956 1.00 0.00 C ATOM 0 H ILE A 71 -7.003 -1.449 -11.695 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.180 -1.848 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.218 0.114 -11.045 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.828 -2.199 -9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.387 -2.198 -11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.575 0.886 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.245 1.207 -8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.334 -0.150 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.974 -1.810 -11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.806 -0.381 -11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.238 -0.382 -10.158 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.575 -0.097 -7.943 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.247 0.994 -7.257 1.00 0.00 C ATOM 1107 C ILE A 72 -7.367 1.452 -6.097 1.00 0.00 C ATOM 1108 O ILE A 72 -6.314 0.865 -5.855 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.649 0.594 -6.739 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.576 -0.690 -5.906 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.616 0.433 -7.906 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.900 -1.091 -5.291 1.00 0.00 C ATOM 0 H ILE A 72 -7.316 -0.871 -7.331 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.399 1.805 -7.969 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.020 1.389 -6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.218 -1.503 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.842 -0.556 -5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.599 0.151 -7.528 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.692 1.376 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.250 -0.343 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.771 -2.008 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.251 -0.296 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.632 -1.258 -6.081 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.771 2.487 -5.379 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.929 3.016 -4.316 1.00 0.00 C ATOM 1126 C ALA A 73 -7.744 3.468 -3.114 1.00 0.00 C ATOM 1127 O ALA A 73 -8.716 4.209 -3.254 1.00 0.00 O ATOM 1128 CB ALA A 73 -6.085 4.169 -4.840 1.00 0.00 C ATOM 0 H ALA A 73 -8.660 2.971 -5.508 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.276 2.209 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.459 4.557 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.452 3.816 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.738 4.961 -5.206 1.00 0.00 H new ATOM 1134 N SER A 74 -7.346 3.005 -1.938 1.00 0.00 N ATOM 1135 CA SER A 74 -7.934 3.469 -0.692 1.00 0.00 C ATOM 1136 C SER A 74 -7.139 4.664 -0.177 1.00 0.00 C ATOM 1137 O SER A 74 -7.689 5.580 0.443 1.00 0.00 O ATOM 1138 CB SER A 74 -7.934 2.344 0.344 1.00 0.00 C ATOM 1139 OG SER A 74 -8.596 1.193 -0.155 1.00 0.00 O ATOM 0 H SER A 74 -6.614 2.304 -1.822 1.00 0.00 H new ATOM 0 HA SER A 74 -8.966 3.771 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.908 2.091 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.426 2.684 1.255 1.00 0.00 H new ATOM 0 HG SER A 74 -7.936 0.497 -0.355 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.839 4.645 -0.451 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.951 5.734 -0.081 1.00 0.00 C ATOM 1147 C CYS A 75 -5.161 6.922 -1.014 1.00 0.00 C ATOM 1148 O CYS A 75 -4.975 6.807 -2.228 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.495 5.264 -0.138 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.294 6.523 0.347 1.00 0.00 S ATOM 0 H CYS A 75 -5.375 3.876 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.179 6.047 0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.379 4.397 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.270 4.934 -1.152 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.357 5.976 1.063 1.00 0.00 H new ATOM 1156 N SER A 76 -5.548 8.057 -0.441 1.00 0.00 N ATOM 1157 CA SER A 76 -5.841 9.256 -1.218 1.00 0.00 C ATOM 1158 C SER A 76 -4.597 9.761 -1.945 1.00 0.00 C ATOM 1159 O SER A 76 -4.683 10.254 -3.071 1.00 0.00 O ATOM 1160 CB SER A 76 -6.379 10.349 -0.299 1.00 0.00 C ATOM 1161 OG SER A 76 -7.443 9.866 0.505 1.00 0.00 O ATOM 0 H SER A 76 -5.667 8.172 0.566 1.00 0.00 H new ATOM 0 HA SER A 76 -6.593 9.001 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.576 10.719 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.725 11.192 -0.897 1.00 0.00 H new ATOM 0 HG SER A 76 -7.768 10.586 1.085 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.444 9.630 -1.296 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.175 10.070 -1.871 1.00 0.00 C ATOM 1169 C PHE A 77 -1.924 9.392 -3.214 1.00 0.00 C ATOM 1170 O PHE A 77 -1.569 10.043 -4.198 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.026 9.768 -0.902 1.00 0.00 C ATOM 1172 CG PHE A 77 0.309 10.304 -1.347 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.603 11.652 -1.223 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.269 9.459 -1.882 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.828 12.149 -1.624 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.496 9.951 -2.286 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.776 11.296 -2.156 1.00 0.00 C ATOM 0 H PHE A 77 -3.361 9.220 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.227 11.146 -2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.268 10.189 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.948 8.688 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.135 12.323 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.056 8.405 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.044 13.202 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.235 9.283 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.735 11.681 -2.470 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.127 8.082 -3.254 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.928 7.321 -4.476 1.00 0.00 C ATOM 1189 C ALA A 78 -3.064 7.565 -5.460 1.00 0.00 C ATOM 1190 O ALA A 78 -2.839 7.669 -6.666 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.803 5.841 -4.168 1.00 0.00 C ATOM 0 H ALA A 78 -2.429 7.526 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.000 7.659 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.655 5.288 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.951 5.677 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.713 5.493 -3.680 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.283 7.664 -4.934 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.465 7.918 -5.752 1.00 0.00 C ATOM 1199 C LYS A 79 -5.297 9.221 -6.529 1.00 0.00 C ATOM 1200 O LYS A 79 -5.641 9.304 -7.707 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.713 7.965 -4.853 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.042 8.097 -5.590 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.404 9.549 -5.873 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.820 9.679 -6.414 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.221 11.100 -6.602 1.00 0.00 N ATOM 0 H LYS A 79 -4.478 7.571 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.589 7.111 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.740 7.058 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.613 8.804 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.990 7.548 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.832 7.637 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.309 10.133 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.699 9.966 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.893 9.153 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.515 9.195 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.200 11.231 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.587 11.715 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.157 11.348 -7.610 1.00 0.00 H new ATOM 1219 N HIS A 80 -4.736 10.227 -5.869 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.517 11.524 -6.493 1.00 0.00 C ATOM 1221 C HIS A 80 -3.477 11.429 -7.609 1.00 0.00 C ATOM 1222 O HIS A 80 -3.570 12.134 -8.610 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.081 12.559 -5.448 1.00 0.00 C ATOM 1224 CG HIS A 80 -3.942 13.944 -5.999 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -2.783 14.680 -5.904 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -4.828 14.726 -6.656 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -2.960 15.854 -6.480 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -4.194 15.908 -6.944 1.00 0.00 N ATOM 0 H HIS A 80 -4.424 10.168 -4.900 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.461 11.847 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.808 12.571 -4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.128 12.250 -5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.846 14.468 -6.907 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.221 16.637 -6.558 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.609 16.699 -7.436 1.00 0.00 H new ATOM 1237 N MET A 81 -2.497 10.553 -7.438 1.00 0.00 N ATOM 1238 CA MET A 81 -1.462 10.378 -8.450 1.00 0.00 C ATOM 1239 C MET A 81 -2.011 9.631 -9.663 1.00 0.00 C ATOM 1240 O MET A 81 -1.749 10.009 -10.805 1.00 0.00 O ATOM 1241 CB MET A 81 -0.250 9.640 -7.875 1.00 0.00 C ATOM 1242 CG MET A 81 0.525 10.450 -6.844 1.00 0.00 C ATOM 1243 SD MET A 81 2.049 9.643 -6.311 1.00 0.00 S ATOM 1244 CE MET A 81 1.406 8.155 -5.552 1.00 0.00 C ATOM 0 H MET A 81 -2.396 9.957 -6.617 1.00 0.00 H new ATOM 0 HA MET A 81 -1.139 11.369 -8.770 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.586 8.710 -7.416 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.420 9.369 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.766 11.427 -7.264 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.110 10.624 -5.975 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.234 7.536 -5.206 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.774 8.422 -4.705 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.818 7.599 -6.282 1.00 0.00 H new ATOM 1254 N LEU A 82 -2.789 8.583 -9.407 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.408 7.800 -10.474 1.00 0.00 C ATOM 1256 C LEU A 82 -4.427 8.638 -11.246 1.00 0.00 C ATOM 1257 O LEU A 82 -4.644 8.432 -12.439 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.092 6.559 -9.892 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.149 5.506 -9.306 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -3.938 4.440 -8.561 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.313 4.870 -10.408 1.00 0.00 C ATOM 0 H LEU A 82 -3.007 8.255 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.623 7.488 -11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.783 6.878 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.689 6.092 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.479 5.998 -8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.251 3.699 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.499 4.903 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.630 3.952 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.647 4.123 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.971 4.392 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.721 5.639 -10.905 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.044 9.582 -10.552 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.052 10.445 -11.148 1.00 0.00 C ATOM 1275 C GLU A 83 -5.404 11.578 -11.944 1.00 0.00 C ATOM 1276 O GLU A 83 -6.004 12.121 -12.874 1.00 0.00 O ATOM 1277 CB GLU A 83 -6.943 11.031 -10.050 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.057 11.922 -10.570 1.00 0.00 C ATOM 1279 CD GLU A 83 -8.652 12.782 -9.482 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.131 13.897 -9.258 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -9.632 12.349 -8.843 1.00 0.00 O ATOM 0 H GLU A 83 -4.862 9.771 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.655 9.847 -11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.382 10.214 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.323 11.605 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.669 12.560 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.839 11.304 -11.011 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.176 11.930 -11.574 1.00 0.00 N ATOM 1289 CA LYS A 84 -3.485 13.067 -12.176 1.00 0.00 C ATOM 1290 C LYS A 84 -3.138 12.791 -13.637 1.00 0.00 C ATOM 1291 O LYS A 84 -3.135 13.702 -14.468 1.00 0.00 O ATOM 1292 CB LYS A 84 -2.212 13.400 -11.385 1.00 0.00 C ATOM 1293 CG LYS A 84 -1.526 14.678 -11.836 1.00 0.00 C ATOM 1294 CD LYS A 84 -0.352 15.031 -10.940 1.00 0.00 C ATOM 1295 CE LYS A 84 0.243 16.376 -11.324 1.00 0.00 C ATOM 1296 NZ LYS A 84 1.310 16.805 -10.385 1.00 0.00 N ATOM 0 H LYS A 84 -3.637 11.443 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.158 13.924 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.465 13.488 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.511 12.570 -11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.178 14.562 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.245 15.497 -11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.679 15.058 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.412 14.257 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.651 16.316 -12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.546 17.128 -11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.687 17.727 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.916 16.888 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.076 16.101 -10.385 1.00 0.00 H new ATOM 1310 N GLU A 85 -2.858 11.537 -13.951 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.495 11.160 -15.306 1.00 0.00 C ATOM 1312 C GLU A 85 -3.480 10.127 -15.843 1.00 0.00 C ATOM 1313 O GLU A 85 -3.584 9.015 -15.322 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.056 10.631 -15.334 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.505 10.396 -16.732 1.00 0.00 C ATOM 1316 CD GLU A 85 1.007 10.284 -16.747 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.535 9.170 -16.552 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.677 11.322 -16.936 1.00 0.00 O ATOM 0 H GLU A 85 -2.875 10.764 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.544 12.036 -15.952 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.410 11.340 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.014 9.695 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.938 9.483 -17.141 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.812 11.215 -17.383 1.00 0.00 H new ATOM 1325 N ASP A 86 -4.192 10.500 -16.901 1.00 0.00 N ATOM 1326 CA ASP A 86 -5.270 9.672 -17.440 1.00 0.00 C ATOM 1327 C ASP A 86 -4.724 8.504 -18.252 1.00 0.00 C ATOM 1328 O ASP A 86 -5.483 7.734 -18.838 1.00 0.00 O ATOM 1329 CB ASP A 86 -6.221 10.506 -18.308 1.00 0.00 C ATOM 1330 CG ASP A 86 -7.004 11.530 -17.509 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -8.030 11.163 -16.895 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -6.605 12.714 -17.498 1.00 0.00 O ATOM 0 H ASP A 86 -4.043 11.374 -17.406 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.824 9.272 -16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.646 11.017 -19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.918 9.840 -18.818 1.00 0.00 H new ATOM 1337 N SER A 87 -3.410 8.367 -18.280 1.00 0.00 N ATOM 1338 CA SER A 87 -2.774 7.252 -18.962 1.00 0.00 C ATOM 1339 C SER A 87 -2.936 5.965 -18.151 1.00 0.00 C ATOM 1340 O SER A 87 -2.760 4.864 -18.670 1.00 0.00 O ATOM 1341 CB SER A 87 -1.293 7.558 -19.177 1.00 0.00 C ATOM 1342 OG SER A 87 -1.120 8.845 -19.751 1.00 0.00 O ATOM 0 H SER A 87 -2.760 9.016 -17.837 1.00 0.00 H new ATOM 0 HA SER A 87 -3.254 7.110 -19.930 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.765 7.506 -18.225 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.852 6.803 -19.828 1.00 0.00 H new ATOM 0 HG SER A 87 -0.164 9.021 -19.878 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.296 6.112 -16.879 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.415 4.967 -15.979 1.00 0.00 C ATOM 1350 C TYR A 88 -4.807 4.344 -16.034 1.00 0.00 C ATOM 1351 O TYR A 88 -5.071 3.364 -15.339 1.00 0.00 O ATOM 1352 CB TYR A 88 -3.099 5.376 -14.537 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.650 5.729 -14.296 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.693 4.736 -14.142 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.240 7.053 -14.221 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.633 5.051 -13.919 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.085 7.376 -14.000 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.017 6.371 -13.850 1.00 0.00 C ATOM 1359 OH TYR A 88 2.339 6.685 -13.635 1.00 0.00 O ATOM 0 H TYR A 88 -3.510 7.011 -16.448 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.692 4.223 -16.314 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.719 6.232 -14.270 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.378 4.560 -13.870 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.990 3.699 -14.197 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.968 7.843 -14.337 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.365 4.266 -13.799 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.389 8.411 -13.945 1.00 0.00 H new ATOM 0 HH TYR A 88 2.835 6.607 -14.477 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.685 4.888 -16.877 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.081 4.431 -16.944 1.00 0.00 C ATOM 1371 C GLN A 89 -7.197 2.971 -17.384 1.00 0.00 C ATOM 1372 O GLN A 89 -8.257 2.360 -17.246 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.897 5.306 -17.895 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.065 6.739 -17.425 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.914 7.559 -18.375 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -10.132 7.657 -18.219 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -8.277 8.140 -19.379 1.00 0.00 N ATOM 0 H GLN A 89 -5.459 5.644 -17.523 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.478 4.515 -15.932 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.415 5.309 -18.873 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.883 4.860 -18.027 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.523 6.743 -16.436 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.084 7.204 -17.324 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.267 8.034 -19.472 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.796 8.694 -20.060 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.118 2.422 -17.925 1.00 0.00 N ATOM 1387 CA ASP A 90 -6.108 1.029 -18.361 1.00 0.00 C ATOM 1388 C ASP A 90 -6.199 0.082 -17.168 1.00 0.00 C ATOM 1389 O ASP A 90 -6.852 -0.963 -17.230 1.00 0.00 O ATOM 1390 CB ASP A 90 -4.846 0.728 -19.165 1.00 0.00 C ATOM 1391 CG ASP A 90 -4.782 -0.723 -19.596 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -5.476 -1.090 -20.568 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -4.038 -1.500 -18.966 1.00 0.00 O ATOM 0 H ASP A 90 -5.239 2.917 -18.073 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.980 0.872 -18.996 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.815 1.370 -20.046 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.968 0.967 -18.565 1.00 0.00 H new ATOM 1398 N VAL A 91 -5.556 0.461 -16.076 1.00 0.00 N ATOM 1399 CA VAL A 91 -5.564 -0.351 -14.871 1.00 0.00 C ATOM 1400 C VAL A 91 -6.384 0.313 -13.770 1.00 0.00 C ATOM 1401 O VAL A 91 -7.116 -0.355 -13.042 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.134 -0.635 -14.363 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -3.417 -1.596 -15.300 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.342 0.657 -14.222 1.00 0.00 C ATOM 0 H VAL A 91 -5.022 1.326 -15.999 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.027 -1.303 -15.131 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.209 -1.098 -13.379 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.410 -1.785 -14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.968 -2.535 -15.349 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.358 -1.157 -16.296 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.338 0.431 -13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.278 1.152 -15.191 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.842 1.315 -13.511 1.00 0.00 H new ATOM 1414 N TYR A 92 -6.270 1.630 -13.666 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.009 2.393 -12.673 1.00 0.00 C ATOM 1416 C TYR A 92 -8.402 2.710 -13.196 1.00 0.00 C ATOM 1417 O TYR A 92 -8.561 3.456 -14.166 1.00 0.00 O ATOM 1418 CB TYR A 92 -6.258 3.685 -12.325 1.00 0.00 C ATOM 1419 CG TYR A 92 -7.033 4.630 -11.429 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.301 4.304 -10.106 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -7.495 5.847 -11.911 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.007 5.167 -9.288 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -8.201 6.716 -11.102 1.00 0.00 C ATOM 1424 CZ TYR A 92 -8.454 6.372 -9.792 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.159 7.235 -8.983 1.00 0.00 O ATOM 0 H TYR A 92 -5.667 2.195 -14.264 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.102 1.797 -11.765 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.319 3.426 -11.836 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.003 4.204 -13.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.953 3.362 -9.710 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.299 6.119 -12.937 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.207 4.900 -8.261 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.552 7.659 -11.494 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.399 8.038 -9.491 1.00 0.00 H new ATOM 1435 N LEU A 93 -9.403 2.122 -12.563 1.00 0.00 N ATOM 1436 CA LEU A 93 -10.782 2.310 -12.981 1.00 0.00 C ATOM 1437 C LEU A 93 -11.373 3.554 -12.331 1.00 0.00 C ATOM 1438 O LEU A 93 -11.545 4.583 -12.982 1.00 0.00 O ATOM 1439 CB LEU A 93 -11.619 1.077 -12.630 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.122 -0.240 -13.233 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.018 -1.391 -12.804 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.065 -0.148 -14.752 1.00 0.00 C ATOM 0 H LEU A 93 -9.286 1.509 -11.756 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.798 2.445 -14.062 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.648 0.974 -11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.643 1.246 -12.961 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.114 -0.428 -12.863 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.651 -2.320 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.010 -1.473 -11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.036 -1.206 -13.146 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.709 -1.094 -15.161 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.061 0.064 -15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.384 0.652 -15.043 1.00 0.00 H new