USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 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 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 87 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.034) USER MOD Set 2.1: A 83 ASN : amide:sc= -4.34! C(o=-4.4!,f=-5.5!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.0133 X(o=-4.4,f=-4.3) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 74 THR OG1 : rot -90:sc= -0.298! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 96 SER OG : rot -38:sc= 1.23 USER MOD Single : A 99 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= -0.203 (180deg=-0.804) USER MOD Single : A 104 GLN : amide:sc= 0.37 K(o=0.37,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -2.981 -11.986 -4.001 1.00 0.00 N ATOM 118 CA ILE A 46 -2.235 -10.834 -4.507 1.00 0.00 C ATOM 119 C ILE A 46 -0.946 -10.591 -3.706 1.00 0.00 C ATOM 120 O ILE A 46 -0.084 -9.821 -4.134 1.00 0.00 O ATOM 121 CB ILE A 46 -3.095 -9.552 -4.486 1.00 0.00 C ATOM 122 CG1 ILE A 46 -4.473 -9.813 -5.106 1.00 0.00 C ATOM 123 CG2 ILE A 46 -2.384 -8.422 -5.219 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.418 -10.229 -6.562 1.00 0.00 C ATOM 0 HA ILE A 46 -1.968 -11.069 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.240 -9.253 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.977 -10.592 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.078 -8.911 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.004 -7.526 -5.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.430 -8.217 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.208 -8.714 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.430 -10.396 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.943 -9.442 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.841 -11.149 -6.656 1.00 0.00 H new ATOM 136 N ALA A 47 -0.815 -11.249 -2.548 1.00 0.00 N ATOM 137 CA ALA A 47 0.374 -11.100 -1.702 1.00 0.00 C ATOM 138 C ALA A 47 1.650 -11.510 -2.443 1.00 0.00 C ATOM 139 O ALA A 47 2.742 -11.046 -2.112 1.00 0.00 O ATOM 140 CB ALA A 47 0.220 -11.918 -0.428 1.00 0.00 C ATOM 0 H ALA A 47 -1.517 -11.889 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 47 0.465 -10.045 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.109 -11.799 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.655 -11.572 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.095 -12.970 -0.684 1.00 0.00 H new ATOM 146 N ASN A 48 1.504 -12.370 -3.454 1.00 0.00 N ATOM 147 CA ASN A 48 2.641 -12.826 -4.249 1.00 0.00 C ATOM 148 C ASN A 48 3.027 -11.782 -5.301 1.00 0.00 C ATOM 149 O ASN A 48 4.113 -11.844 -5.880 1.00 0.00 O ATOM 150 CB ASN A 48 2.314 -14.158 -4.927 1.00 0.00 C ATOM 151 CG ASN A 48 3.493 -15.112 -4.926 1.00 0.00 C ATOM 152 OD1 ASN A 48 4.353 -15.052 -5.804 1.00 0.00 O ATOM 153 ND2 ASN A 48 3.539 -15.999 -3.938 1.00 0.00 N ATOM 0 H ASN A 48 0.607 -12.764 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 48 3.489 -12.967 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.472 -14.625 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.001 -13.972 -5.955 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.309 -16.666 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.804 -16.013 -3.231 1.00 0.00 H new ATOM 160 N PHE A 49 2.131 -10.818 -5.540 1.00 0.00 N ATOM 161 CA PHE A 49 2.374 -9.759 -6.513 1.00 0.00 C ATOM 162 C PHE A 49 2.931 -8.497 -5.839 1.00 0.00 C ATOM 163 O PHE A 49 2.718 -7.380 -6.319 1.00 0.00 O ATOM 164 CB PHE A 49 1.071 -9.435 -7.249 1.00 0.00 C ATOM 165 CG PHE A 49 1.101 -9.802 -8.704 1.00 0.00 C ATOM 166 CD1 PHE A 49 1.813 -9.033 -9.610 1.00 0.00 C ATOM 167 CD2 PHE A 49 0.425 -10.920 -9.166 1.00 0.00 C ATOM 168 CE1 PHE A 49 1.851 -9.371 -10.948 1.00 0.00 C ATOM 169 CE2 PHE A 49 0.457 -11.263 -10.503 1.00 0.00 C ATOM 170 CZ PHE A 49 1.172 -10.488 -11.395 1.00 0.00 C ATOM 0 H PHE A 49 1.229 -10.754 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 49 3.120 -10.110 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.249 -9.963 -6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.865 -8.369 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.345 -8.158 -9.265 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.134 -11.530 -8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.410 -8.763 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.076 -12.136 -10.851 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.200 -10.755 -12.441 1.00 0.00 H new ATOM 180 N LEU A 50 3.653 -8.682 -4.731 1.00 0.00 N ATOM 181 CA LEU A 50 4.244 -7.567 -3.997 1.00 0.00 C ATOM 182 C LEU A 50 5.699 -7.866 -3.641 1.00 0.00 C ATOM 183 O LEU A 50 6.184 -8.977 -3.863 1.00 0.00 O ATOM 184 CB LEU A 50 3.440 -7.289 -2.721 1.00 0.00 C ATOM 185 CG LEU A 50 2.753 -5.921 -2.672 1.00 0.00 C ATOM 186 CD1 LEU A 50 1.286 -6.069 -2.292 1.00 0.00 C ATOM 187 CD2 LEU A 50 3.468 -4.997 -1.694 1.00 0.00 C ATOM 0 H LEU A 50 3.841 -9.598 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 50 4.217 -6.684 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.681 -8.064 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.108 -7.374 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 50 2.806 -5.477 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.817 -5.086 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.780 -6.691 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.210 -6.537 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.965 -4.030 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.449 -5.437 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.502 -4.862 -2.011 1.00 0.00 H new ATOM 199 N GLU A 51 6.390 -6.871 -3.085 1.00 0.00 N ATOM 200 CA GLU A 51 7.788 -7.032 -2.695 1.00 0.00 C ATOM 201 C GLU A 51 7.902 -7.377 -1.211 1.00 0.00 C ATOM 202 O GLU A 51 7.118 -6.889 -0.396 1.00 0.00 O ATOM 203 CB GLU A 51 8.577 -5.755 -2.995 1.00 0.00 C ATOM 204 CG GLU A 51 9.423 -5.841 -4.255 1.00 0.00 C ATOM 205 CD GLU A 51 10.909 -5.882 -3.956 1.00 0.00 C ATOM 206 OE1 GLU A 51 11.484 -4.814 -3.656 1.00 0.00 O ATOM 207 OE2 GLU A 51 11.497 -6.981 -4.019 1.00 0.00 O ATOM 0 H GLU A 51 6.004 -5.946 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 51 8.208 -7.853 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.880 -4.922 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.225 -5.531 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.144 -6.733 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.208 -4.983 -4.892 1.00 0.00 H new ATOM 214 N PRO A 52 8.886 -8.224 -0.840 1.00 0.00 N ATOM 215 CA PRO A 52 9.102 -8.630 0.556 1.00 0.00 C ATOM 216 C PRO A 52 9.245 -7.432 1.493 1.00 0.00 C ATOM 217 O PRO A 52 8.633 -7.394 2.561 1.00 0.00 O ATOM 218 CB PRO A 52 10.407 -9.429 0.503 1.00 0.00 C ATOM 219 CG PRO A 52 10.500 -9.916 -0.901 1.00 0.00 C ATOM 220 CD PRO A 52 9.867 -8.849 -1.751 1.00 0.00 C ATOM 0 HA PRO A 52 8.259 -9.199 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.263 -8.806 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.391 -10.259 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.538 -10.080 -1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.982 -10.868 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.603 -8.128 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 52 9.385 -9.271 -2.633 1.00 0.00 H new ATOM 228 N GLN A 53 10.051 -6.451 1.080 1.00 0.00 N ATOM 229 CA GLN A 53 10.268 -5.244 1.877 1.00 0.00 C ATOM 230 C GLN A 53 9.000 -4.393 1.923 1.00 0.00 C ATOM 231 O GLN A 53 8.633 -3.871 2.977 1.00 0.00 O ATOM 232 CB GLN A 53 11.432 -4.426 1.309 1.00 0.00 C ATOM 233 CG GLN A 53 12.740 -5.199 1.233 1.00 0.00 C ATOM 234 CD GLN A 53 13.961 -4.305 1.356 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.972 -3.176 0.863 1.00 0.00 O ATOM 236 NE2 GLN A 53 15.000 -4.806 2.014 1.00 0.00 N ATOM 0 H GLN A 53 10.563 -6.470 0.198 1.00 0.00 H new ATOM 0 HA GLN A 53 10.519 -5.549 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.167 -4.078 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.578 -3.540 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.761 -5.946 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.784 -5.738 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.950 -5.746 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.848 -4.251 2.126 1.00 0.00 H new ATOM 245 N ALA A 54 8.329 -4.267 0.775 1.00 0.00 N ATOM 246 CA ALA A 54 7.094 -3.490 0.686 1.00 0.00 C ATOM 247 C ALA A 54 6.017 -4.072 1.600 1.00 0.00 C ATOM 248 O ALA A 54 5.320 -3.334 2.297 1.00 0.00 O ATOM 249 CB ALA A 54 6.598 -3.446 -0.752 1.00 0.00 C ATOM 0 H ALA A 54 8.622 -4.694 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 54 7.308 -2.473 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.678 -2.864 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.355 -2.982 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.405 -4.460 -1.102 1.00 0.00 H new ATOM 255 N LEU A 55 5.892 -5.402 1.594 1.00 0.00 N ATOM 256 CA LEU A 55 4.905 -6.091 2.426 1.00 0.00 C ATOM 257 C LEU A 55 5.150 -5.811 3.909 1.00 0.00 C ATOM 258 O LEU A 55 4.209 -5.559 4.662 1.00 0.00 O ATOM 259 CB LEU A 55 4.940 -7.601 2.164 1.00 0.00 C ATOM 260 CG LEU A 55 4.268 -8.052 0.862 1.00 0.00 C ATOM 261 CD1 LEU A 55 4.944 -9.301 0.313 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.781 -8.300 1.087 1.00 0.00 C ATOM 0 H LEU A 55 6.463 -6.023 1.021 1.00 0.00 H new ATOM 0 HA LEU A 55 3.919 -5.710 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.980 -7.927 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.458 -8.110 2.999 1.00 0.00 H new ATOM 0 HG LEU A 55 4.376 -7.255 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.452 -9.605 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.994 -9.088 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.871 -10.106 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.320 -8.619 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.652 -9.078 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.307 -7.381 1.430 1.00 0.00 H new ATOM 274 N GLU A 56 6.420 -5.853 4.320 1.00 0.00 N ATOM 275 CA GLU A 56 6.790 -5.598 5.712 1.00 0.00 C ATOM 276 C GLU A 56 6.364 -4.194 6.144 1.00 0.00 C ATOM 277 O GLU A 56 5.777 -4.018 7.213 1.00 0.00 O ATOM 278 CB GLU A 56 8.300 -5.771 5.899 1.00 0.00 C ATOM 279 CG GLU A 56 8.707 -6.064 7.336 1.00 0.00 C ATOM 280 CD GLU A 56 10.146 -6.533 7.456 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.058 -5.763 7.085 1.00 0.00 O ATOM 282 OE2 GLU A 56 10.360 -7.670 7.926 1.00 0.00 O ATOM 0 H GLU A 56 7.209 -6.061 3.707 1.00 0.00 H new ATOM 0 HA GLU A 56 6.269 -6.321 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.646 -6.583 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.805 -4.865 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.571 -5.165 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.046 -6.826 7.748 1.00 0.00 H new ATOM 289 N ARG A 57 6.659 -3.197 5.305 1.00 0.00 N ATOM 290 CA ARG A 57 6.302 -1.812 5.600 1.00 0.00 C ATOM 291 C ARG A 57 4.785 -1.648 5.703 1.00 0.00 C ATOM 292 O ARG A 57 4.288 -0.960 6.597 1.00 0.00 O ATOM 293 CB ARG A 57 6.857 -0.882 4.518 1.00 0.00 C ATOM 294 CG ARG A 57 7.275 0.480 5.042 1.00 0.00 C ATOM 295 CD ARG A 57 6.122 1.467 4.996 1.00 0.00 C ATOM 296 NE ARG A 57 6.125 2.365 6.151 1.00 0.00 N ATOM 297 CZ ARG A 57 5.559 3.576 6.163 1.00 0.00 C ATOM 298 NH1 ARG A 57 4.928 4.042 5.088 1.00 0.00 N ATOM 299 NH2 ARG A 57 5.620 4.323 7.261 1.00 0.00 N ATOM 0 H ARG A 57 7.144 -3.326 4.417 1.00 0.00 H new ATOM 0 HA ARG A 57 6.742 -1.545 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.716 -1.359 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.102 -0.748 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.633 0.383 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.106 0.861 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.183 2.054 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.179 0.922 4.963 1.00 0.00 H new ATOM 0 HE ARG A 57 6.589 2.047 7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.872 3.474 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.500 4.968 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.098 3.972 8.091 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.189 5.247 7.273 1.00 0.00 H new ATOM 313 N LEU A 58 4.058 -2.288 4.785 1.00 0.00 N ATOM 314 CA LEU A 58 2.596 -2.223 4.770 1.00 0.00 C ATOM 315 C LEU A 58 2.006 -2.771 6.074 1.00 0.00 C ATOM 316 O LEU A 58 0.968 -2.296 6.538 1.00 0.00 O ATOM 317 CB LEU A 58 2.039 -3.003 3.573 1.00 0.00 C ATOM 318 CG LEU A 58 0.568 -2.730 3.243 1.00 0.00 C ATOM 319 CD1 LEU A 58 0.356 -1.265 2.885 1.00 0.00 C ATOM 320 CD2 LEU A 58 0.099 -3.629 2.107 1.00 0.00 C ATOM 0 H LEU A 58 4.459 -2.858 4.041 1.00 0.00 H new ATOM 0 HA LEU A 58 2.308 -1.176 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.641 -2.768 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.159 -4.069 3.767 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.026 -2.954 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.696 -1.095 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.649 -0.639 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.963 -1.011 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.948 -3.421 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.702 -3.438 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.207 -4.673 2.401 1.00 0.00 H new ATOM 332 N SER A 59 2.674 -3.767 6.662 1.00 0.00 N ATOM 333 CA SER A 59 2.216 -4.367 7.915 1.00 0.00 C ATOM 334 C SER A 59 2.280 -3.354 9.059 1.00 0.00 C ATOM 335 O SER A 59 1.361 -3.272 9.874 1.00 0.00 O ATOM 336 CB SER A 59 3.058 -5.600 8.262 1.00 0.00 C ATOM 337 OG SER A 59 2.526 -6.767 7.659 1.00 0.00 O ATOM 0 H SER A 59 3.532 -4.173 6.290 1.00 0.00 H new ATOM 0 HA SER A 59 1.179 -4.675 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.084 -5.449 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.091 -5.729 9.344 1.00 0.00 H new ATOM 0 HG SER A 59 3.082 -7.539 7.894 1.00 0.00 H new ATOM 343 N ARG A 60 3.371 -2.585 9.114 1.00 0.00 N ATOM 344 CA ARG A 60 3.552 -1.578 10.162 1.00 0.00 C ATOM 345 C ARG A 60 2.497 -0.473 10.061 1.00 0.00 C ATOM 346 O ARG A 60 1.907 -0.081 11.068 1.00 0.00 O ATOM 347 CB ARG A 60 4.958 -0.970 10.088 1.00 0.00 C ATOM 348 CG ARG A 60 5.490 -0.502 11.435 1.00 0.00 C ATOM 349 CD ARG A 60 6.671 -1.344 11.898 1.00 0.00 C ATOM 350 NE ARG A 60 7.881 -1.078 11.117 1.00 0.00 N ATOM 351 CZ ARG A 60 8.657 0.000 11.278 1.00 0.00 C ATOM 352 NH1 ARG A 60 8.353 0.925 12.187 1.00 0.00 N ATOM 353 NH2 ARG A 60 9.743 0.152 10.525 1.00 0.00 N ATOM 0 H ARG A 60 4.140 -2.641 8.447 1.00 0.00 H new ATOM 0 HA ARG A 60 3.431 -2.077 11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.643 -1.709 9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.944 -0.126 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.794 0.542 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.694 -0.552 12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.869 -1.142 12.951 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.415 -2.401 11.819 1.00 0.00 H new ATOM 0 HE ARG A 60 8.149 -1.758 10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.522 0.815 12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.951 1.743 12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.982 -0.552 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.336 0.973 10.646 1.00 0.00 H new ATOM 367 N VAL A 61 2.261 0.021 8.843 1.00 0.00 N ATOM 368 CA VAL A 61 1.270 1.076 8.625 1.00 0.00 C ATOM 369 C VAL A 61 -0.147 0.583 8.934 1.00 0.00 C ATOM 370 O VAL A 61 -0.945 1.317 9.516 1.00 0.00 O ATOM 371 CB VAL A 61 1.333 1.656 7.188 1.00 0.00 C ATOM 372 CG1 VAL A 61 1.080 0.583 6.141 1.00 0.00 C ATOM 373 CG2 VAL A 61 0.351 2.810 7.029 1.00 0.00 C ATOM 0 H VAL A 61 2.740 -0.291 7.998 1.00 0.00 H new ATOM 0 HA VAL A 61 1.519 1.880 9.317 1.00 0.00 H new ATOM 0 HB VAL A 61 2.342 2.038 7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.132 1.026 5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.835 -0.198 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.091 0.151 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.412 3.202 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.662 2.455 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.599 3.600 7.738 1.00 0.00 H new ATOM 383 N ALA A 62 -0.452 -0.661 8.546 1.00 0.00 N ATOM 384 CA ALA A 62 -1.774 -1.250 8.788 1.00 0.00 C ATOM 385 C ALA A 62 -2.171 -1.194 10.268 1.00 0.00 C ATOM 386 O ALA A 62 -3.359 -1.142 10.592 1.00 0.00 O ATOM 387 CB ALA A 62 -1.814 -2.691 8.297 1.00 0.00 C ATOM 0 H ALA A 62 0.199 -1.279 8.063 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.495 -0.655 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.802 -3.112 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.606 -2.717 7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.063 -3.277 8.827 1.00 0.00 H new ATOM 393 N LEU A 63 -1.178 -1.204 11.163 1.00 0.00 N ATOM 394 CA LEU A 63 -1.439 -1.152 12.604 1.00 0.00 C ATOM 395 C LEU A 63 -1.871 0.251 13.035 1.00 0.00 C ATOM 396 O LEU A 63 -2.609 0.408 14.009 1.00 0.00 O ATOM 397 CB LEU A 63 -0.192 -1.573 13.395 1.00 0.00 C ATOM 398 CG LEU A 63 -0.066 -3.075 13.683 1.00 0.00 C ATOM 399 CD1 LEU A 63 -0.288 -3.893 12.417 1.00 0.00 C ATOM 400 CD2 LEU A 63 1.295 -3.388 14.291 1.00 0.00 C ATOM 0 H LEU A 63 -0.189 -1.247 10.916 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.250 -1.848 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.692 -1.251 12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.188 -1.038 14.344 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.838 -3.349 14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.193 -4.954 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.286 -3.694 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.456 -3.617 11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.368 -4.457 14.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.081 -3.094 13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.412 -2.837 15.224 1.00 0.00 H new ATOM 412 N VAL A 64 -1.407 1.263 12.304 1.00 0.00 N ATOM 413 CA VAL A 64 -1.742 2.653 12.607 1.00 0.00 C ATOM 414 C VAL A 64 -2.942 3.122 11.780 1.00 0.00 C ATOM 415 O VAL A 64 -3.891 3.696 12.318 1.00 0.00 O ATOM 416 CB VAL A 64 -0.550 3.610 12.356 1.00 0.00 C ATOM 417 CG1 VAL A 64 -0.344 4.519 13.557 1.00 0.00 C ATOM 418 CG2 VAL A 64 0.733 2.847 12.043 1.00 0.00 C ATOM 0 H VAL A 64 -0.796 1.146 11.496 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.993 2.684 13.667 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.792 4.217 11.484 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.497 5.187 13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.245 5.109 13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.136 3.914 14.440 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.545 3.554 11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.985 2.200 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.587 2.241 11.149 1.00 0.00 H new ATOM 428 N ARG A 65 -2.893 2.867 10.472 1.00 0.00 N ATOM 429 CA ARG A 65 -3.971 3.251 9.566 1.00 0.00 C ATOM 430 C ARG A 65 -4.253 2.132 8.564 1.00 0.00 C ATOM 431 O ARG A 65 -3.705 2.117 7.460 1.00 0.00 O ATOM 432 CB ARG A 65 -3.623 4.547 8.827 1.00 0.00 C ATOM 433 CG ARG A 65 -3.609 5.777 9.720 1.00 0.00 C ATOM 434 CD ARG A 65 -5.013 6.311 9.960 1.00 0.00 C ATOM 435 NE ARG A 65 -5.543 5.903 11.262 1.00 0.00 N ATOM 436 CZ ARG A 65 -6.569 6.501 11.876 1.00 0.00 C ATOM 437 NH1 ARG A 65 -7.188 7.535 11.309 1.00 0.00 N ATOM 438 NH2 ARG A 65 -6.981 6.062 13.061 1.00 0.00 N ATOM 0 H ARG A 65 -2.113 2.393 10.016 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.868 3.423 10.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.644 4.437 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.343 4.701 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.145 5.529 10.675 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.997 6.554 9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.002 7.399 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.676 5.954 9.172 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.101 5.112 11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.880 7.877 10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.970 7.985 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.514 5.269 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.764 6.518 13.530 1.00 0.00 H new ATOM 452 N ARG A 66 -5.114 1.196 8.963 1.00 0.00 N ATOM 453 CA ARG A 66 -5.480 0.065 8.108 1.00 0.00 C ATOM 454 C ARG A 66 -6.088 0.536 6.785 1.00 0.00 C ATOM 455 O ARG A 66 -5.935 -0.127 5.761 1.00 0.00 O ATOM 456 CB ARG A 66 -6.460 -0.869 8.830 1.00 0.00 C ATOM 457 CG ARG A 66 -7.710 -0.175 9.352 1.00 0.00 C ATOM 458 CD ARG A 66 -8.034 -0.607 10.773 1.00 0.00 C ATOM 459 NE ARG A 66 -9.121 -1.586 10.818 1.00 0.00 N ATOM 460 CZ ARG A 66 -9.769 -1.932 11.934 1.00 0.00 C ATOM 461 NH1 ARG A 66 -9.436 -1.392 13.104 1.00 0.00 N ATOM 462 NH2 ARG A 66 -10.751 -2.825 11.880 1.00 0.00 N ATOM 0 H ARG A 66 -5.572 1.198 9.874 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.565 -0.484 7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.758 -1.664 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.945 -1.343 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.567 0.905 9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.553 -0.403 8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.143 -1.034 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.310 0.267 11.363 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.401 -2.031 9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.681 -0.708 13.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.936 -1.662 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.009 -3.246 10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.247 -3.090 12.731 1.00 0.00 H new ATOM 476 N ASP A 67 -6.786 1.676 6.818 1.00 0.00 N ATOM 477 CA ASP A 67 -7.428 2.231 5.623 1.00 0.00 C ATOM 478 C ASP A 67 -6.429 2.416 4.480 1.00 0.00 C ATOM 479 O ASP A 67 -6.737 2.115 3.325 1.00 0.00 O ATOM 480 CB ASP A 67 -8.090 3.574 5.951 1.00 0.00 C ATOM 481 CG ASP A 67 -9.410 3.759 5.231 1.00 0.00 C ATOM 482 OD1 ASP A 67 -9.390 4.066 4.020 1.00 0.00 O ATOM 483 OD2 ASP A 67 -10.466 3.595 5.877 1.00 0.00 O ATOM 0 H ASP A 67 -6.921 2.233 7.662 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.187 1.519 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.253 3.642 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.414 4.385 5.679 1.00 0.00 H new ATOM 488 N ARG A 68 -5.234 2.908 4.806 1.00 0.00 N ATOM 489 CA ARG A 68 -4.194 3.128 3.802 1.00 0.00 C ATOM 490 C ARG A 68 -3.727 1.801 3.206 1.00 0.00 C ATOM 491 O ARG A 68 -3.656 1.651 1.986 1.00 0.00 O ATOM 492 CB ARG A 68 -2.999 3.886 4.399 1.00 0.00 C ATOM 493 CG ARG A 68 -3.346 4.772 5.591 1.00 0.00 C ATOM 494 CD ARG A 68 -2.489 6.028 5.641 1.00 0.00 C ATOM 495 NE ARG A 68 -1.059 5.740 5.506 1.00 0.00 N ATOM 496 CZ ARG A 68 -0.099 6.659 5.625 1.00 0.00 C ATOM 497 NH1 ARG A 68 -0.407 7.922 5.909 1.00 0.00 N ATOM 498 NH2 ARG A 68 1.175 6.315 5.466 1.00 0.00 N ATOM 0 H ARG A 68 -4.963 3.161 5.756 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.626 3.737 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.243 3.163 4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.551 4.504 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.398 5.053 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.213 4.206 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.796 6.705 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.664 6.546 6.584 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.780 4.779 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.382 8.193 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.332 8.619 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.419 5.348 5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.908 7.018 5.557 1.00 0.00 H new ATOM 512 N ALA A 69 -3.424 0.835 4.077 1.00 0.00 N ATOM 513 CA ALA A 69 -2.974 -0.486 3.637 1.00 0.00 C ATOM 514 C ALA A 69 -4.082 -1.226 2.886 1.00 0.00 C ATOM 515 O ALA A 69 -3.812 -1.947 1.925 1.00 0.00 O ATOM 516 CB ALA A 69 -2.500 -1.313 4.824 1.00 0.00 C ATOM 0 H ALA A 69 -3.482 0.944 5.090 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.138 -0.342 2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.169 -2.292 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.671 -0.803 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.320 -1.437 5.532 1.00 0.00 H new ATOM 522 N GLN A 70 -5.326 -1.037 3.331 1.00 0.00 N ATOM 523 CA GLN A 70 -6.479 -1.681 2.704 1.00 0.00 C ATOM 524 C GLN A 70 -6.653 -1.216 1.261 1.00 0.00 C ATOM 525 O GLN A 70 -6.985 -2.012 0.386 1.00 0.00 O ATOM 526 CB GLN A 70 -7.755 -1.392 3.499 1.00 0.00 C ATOM 527 CG GLN A 70 -8.032 -2.410 4.594 1.00 0.00 C ATOM 528 CD GLN A 70 -9.237 -2.047 5.442 1.00 0.00 C ATOM 529 OE1 GLN A 70 -9.186 -0.884 6.083 1.00 0.00 O flip ATOM 530 NE2 GLN A 70 -10.204 -2.805 5.523 1.00 0.00 N flip ATOM 0 H GLN A 70 -5.560 -0.441 4.125 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.296 -2.756 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.678 -0.401 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.603 -1.368 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.193 -3.389 4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.155 -2.495 5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.203 -3.689 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.006 -2.549 6.099 1.00 0.00 H new ATOM 539 N ALA A 71 -6.424 0.074 1.017 1.00 0.00 N ATOM 540 CA ALA A 71 -6.554 0.627 -0.326 1.00 0.00 C ATOM 541 C ALA A 71 -5.428 0.142 -1.242 1.00 0.00 C ATOM 542 O ALA A 71 -5.627 -0.002 -2.449 1.00 0.00 O ATOM 543 CB ALA A 71 -6.591 2.145 -0.283 1.00 0.00 C ATOM 0 H ALA A 71 -6.149 0.751 1.729 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.497 0.270 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.688 2.535 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.442 2.471 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.669 2.519 0.163 1.00 0.00 H new ATOM 549 N VAL A 72 -4.248 -0.117 -0.668 1.00 0.00 N ATOM 550 CA VAL A 72 -3.108 -0.595 -1.451 1.00 0.00 C ATOM 551 C VAL A 72 -3.395 -1.983 -2.025 1.00 0.00 C ATOM 552 O VAL A 72 -3.169 -2.229 -3.212 1.00 0.00 O ATOM 553 CB VAL A 72 -1.805 -0.652 -0.619 1.00 0.00 C ATOM 554 CG1 VAL A 72 -0.627 -1.039 -1.503 1.00 0.00 C ATOM 555 CG2 VAL A 72 -1.539 0.677 0.076 1.00 0.00 C ATOM 0 H VAL A 72 -4.060 -0.004 0.328 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.964 0.121 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.928 -1.414 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.282 -1.075 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.809 -2.019 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.509 -0.301 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.617 0.608 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.441 1.465 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.368 0.911 0.744 1.00 0.00 H new ATOM 565 N GLU A 73 -3.898 -2.885 -1.177 1.00 0.00 N ATOM 566 CA GLU A 73 -4.221 -4.247 -1.606 1.00 0.00 C ATOM 567 C GLU A 73 -5.343 -4.245 -2.647 1.00 0.00 C ATOM 568 O GLU A 73 -5.320 -5.035 -3.592 1.00 0.00 O ATOM 569 CB GLU A 73 -4.608 -5.125 -0.406 1.00 0.00 C ATOM 570 CG GLU A 73 -5.760 -4.582 0.429 1.00 0.00 C ATOM 571 CD GLU A 73 -6.130 -5.498 1.580 1.00 0.00 C ATOM 572 OE1 GLU A 73 -6.684 -6.588 1.319 1.00 0.00 O ATOM 573 OE2 GLU A 73 -5.866 -5.126 2.743 1.00 0.00 O ATOM 0 H GLU A 73 -4.089 -2.697 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.327 -4.668 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.876 -6.117 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.736 -5.245 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.488 -3.602 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.631 -4.438 -0.210 1.00 0.00 H new ATOM 580 N THR A 74 -6.314 -3.343 -2.476 1.00 0.00 N ATOM 581 CA THR A 74 -7.435 -3.234 -3.411 1.00 0.00 C ATOM 582 C THR A 74 -6.985 -2.613 -4.733 1.00 0.00 C ATOM 583 O THR A 74 -7.505 -2.954 -5.795 1.00 0.00 O ATOM 584 CB THR A 74 -8.572 -2.402 -2.808 1.00 0.00 C ATOM 585 OG1 THR A 74 -8.067 -1.383 -1.967 1.00 0.00 O ATOM 586 CG2 THR A 74 -9.553 -3.225 -2.000 1.00 0.00 C ATOM 0 H THR A 74 -6.346 -2.680 -1.701 1.00 0.00 H new ATOM 0 HA THR A 74 -7.802 -4.242 -3.604 1.00 0.00 H new ATOM 0 HB THR A 74 -9.097 -1.976 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.991 -1.723 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.332 -2.575 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.005 -3.983 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.029 -3.710 -1.176 1.00 0.00 H new ATOM 594 N TYR A 75 -6.014 -1.704 -4.659 1.00 0.00 N ATOM 595 CA TYR A 75 -5.490 -1.042 -5.843 1.00 0.00 C ATOM 596 C TYR A 75 -4.759 -2.045 -6.741 1.00 0.00 C ATOM 597 O TYR A 75 -4.995 -2.094 -7.949 1.00 0.00 O ATOM 598 CB TYR A 75 -4.559 0.103 -5.415 1.00 0.00 C ATOM 599 CG TYR A 75 -3.535 0.508 -6.450 1.00 0.00 C ATOM 600 CD1 TYR A 75 -2.318 -0.154 -6.545 1.00 0.00 C ATOM 601 CD2 TYR A 75 -3.784 1.553 -7.328 1.00 0.00 C ATOM 602 CE1 TYR A 75 -1.378 0.214 -7.484 1.00 0.00 C ATOM 603 CE2 TYR A 75 -2.849 1.928 -8.272 1.00 0.00 C ATOM 604 CZ TYR A 75 -1.648 1.256 -8.347 1.00 0.00 C ATOM 605 OH TYR A 75 -0.714 1.628 -9.288 1.00 0.00 O ATOM 0 H TYR A 75 -5.576 -1.411 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.315 -0.626 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.167 0.973 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.037 -0.193 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.104 -0.971 -5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.724 2.081 -7.272 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.436 -0.310 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.058 2.744 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.062 2.377 -9.816 1.00 0.00 H new ATOM 615 N LEU A 76 -3.876 -2.847 -6.139 1.00 0.00 N ATOM 616 CA LEU A 76 -3.112 -3.851 -6.880 1.00 0.00 C ATOM 617 C LEU A 76 -4.020 -4.937 -7.461 1.00 0.00 C ATOM 618 O LEU A 76 -3.885 -5.303 -8.629 1.00 0.00 O ATOM 619 CB LEU A 76 -2.051 -4.489 -5.977 1.00 0.00 C ATOM 620 CG LEU A 76 -1.074 -5.437 -6.683 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.302 -4.705 -7.773 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.118 -6.064 -5.677 1.00 0.00 C ATOM 0 H LEU A 76 -3.673 -2.819 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.622 -3.341 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.479 -3.694 -5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.556 -5.039 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.651 -6.234 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.385 -5.397 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.001 -4.308 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.263 -3.885 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.568 -6.734 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.450 -5.279 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.686 -6.628 -4.938 1.00 0.00 H new ATOM 634 N LYS A 77 -4.942 -5.450 -6.641 1.00 0.00 N ATOM 635 CA LYS A 77 -5.863 -6.498 -7.088 1.00 0.00 C ATOM 636 C LYS A 77 -6.757 -6.002 -8.225 1.00 0.00 C ATOM 637 O LYS A 77 -7.104 -6.769 -9.122 1.00 0.00 O ATOM 638 CB LYS A 77 -6.713 -7.026 -5.920 1.00 0.00 C ATOM 639 CG LYS A 77 -7.696 -6.017 -5.346 1.00 0.00 C ATOM 640 CD LYS A 77 -9.050 -6.093 -6.036 1.00 0.00 C ATOM 641 CE LYS A 77 -10.107 -5.304 -5.279 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.328 -5.077 -6.103 1.00 0.00 N ATOM 0 H LYS A 77 -5.070 -5.159 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.260 -7.323 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.267 -7.902 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.047 -7.358 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.821 -6.198 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.289 -5.011 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.964 -5.707 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.360 -7.135 -6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.378 -5.840 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.693 -4.344 -4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.024 -4.536 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.075 -4.543 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.739 -5.993 -6.375 1.00 0.00 H new ATOM 656 N LYS A 78 -7.118 -4.716 -8.191 1.00 0.00 N ATOM 657 CA LYS A 78 -7.963 -4.132 -9.233 1.00 0.00 C ATOM 658 C LYS A 78 -7.251 -4.167 -10.585 1.00 0.00 C ATOM 659 O LYS A 78 -7.855 -4.512 -11.601 1.00 0.00 O ATOM 660 CB LYS A 78 -8.335 -2.689 -8.878 1.00 0.00 C ATOM 661 CG LYS A 78 -9.708 -2.272 -9.383 1.00 0.00 C ATOM 662 CD LYS A 78 -9.868 -0.760 -9.380 1.00 0.00 C ATOM 663 CE LYS A 78 -8.943 -0.097 -10.391 1.00 0.00 C ATOM 664 NZ LYS A 78 -9.655 0.904 -11.235 1.00 0.00 N ATOM 0 H LYS A 78 -6.840 -4.064 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.875 -4.725 -9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.304 -2.571 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.585 -2.016 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.856 -2.652 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.479 -2.722 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.902 -0.502 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.656 -0.373 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.123 0.392 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.501 -0.860 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.986 1.329 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.421 0.434 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.055 1.648 -10.628 1.00 0.00 H new ATOM 678 N LEU A 79 -5.964 -3.816 -10.587 1.00 0.00 N ATOM 679 CA LEU A 79 -5.166 -3.817 -11.813 1.00 0.00 C ATOM 680 C LEU A 79 -4.994 -5.239 -12.349 1.00 0.00 C ATOM 681 O LEU A 79 -5.170 -5.480 -13.543 1.00 0.00 O ATOM 682 CB LEU A 79 -3.791 -3.185 -11.560 1.00 0.00 C ATOM 683 CG LEU A 79 -3.813 -1.758 -11.003 1.00 0.00 C ATOM 684 CD1 LEU A 79 -2.422 -1.345 -10.543 1.00 0.00 C ATOM 685 CD2 LEU A 79 -4.346 -0.782 -12.044 1.00 0.00 C ATOM 0 H LEU A 79 -5.452 -3.527 -9.753 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.696 -3.225 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.241 -3.819 -10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.234 -3.182 -12.497 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.481 -1.736 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.455 -0.329 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.080 -2.025 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.733 -1.385 -11.387 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.353 0.225 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.706 -0.806 -12.926 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.360 -1.066 -12.324 1.00 0.00 H new ATOM 697 N ILE A 80 -4.655 -6.176 -11.460 1.00 0.00 N ATOM 698 CA ILE A 80 -4.463 -7.574 -11.851 1.00 0.00 C ATOM 699 C ILE A 80 -5.779 -8.207 -12.308 1.00 0.00 C ATOM 700 O ILE A 80 -5.814 -8.918 -13.313 1.00 0.00 O ATOM 701 CB ILE A 80 -3.867 -8.422 -10.702 1.00 0.00 C ATOM 702 CG1 ILE A 80 -2.587 -7.777 -10.159 1.00 0.00 C ATOM 703 CG2 ILE A 80 -3.582 -9.840 -11.183 1.00 0.00 C ATOM 704 CD1 ILE A 80 -2.167 -8.312 -8.807 1.00 0.00 C ATOM 0 H ILE A 80 -4.508 -5.992 -10.467 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.756 -7.566 -12.680 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.598 -8.466 -9.894 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.778 -7.938 -10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.736 -6.700 -10.084 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.163 -10.425 -10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.509 -10.302 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.870 -9.808 -12.008 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.254 -7.811 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.958 -8.127 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.985 -9.384 -8.880 1.00 0.00 H new ATOM 716 N ALA A 81 -6.857 -7.943 -11.566 1.00 0.00 N ATOM 717 CA ALA A 81 -8.175 -8.486 -11.898 1.00 0.00 C ATOM 718 C ALA A 81 -8.682 -7.950 -13.239 1.00 0.00 C ATOM 719 O ALA A 81 -9.465 -8.613 -13.920 1.00 0.00 O ATOM 720 CB ALA A 81 -9.176 -8.167 -10.797 1.00 0.00 C ATOM 0 H ALA A 81 -6.842 -7.357 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.072 -9.568 -11.984 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.150 -8.578 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.838 -8.608 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.258 -7.086 -10.681 1.00 0.00 H new ATOM 726 N THR A 82 -8.233 -6.749 -13.609 1.00 0.00 N ATOM 727 CA THR A 82 -8.642 -6.129 -14.865 1.00 0.00 C ATOM 728 C THR A 82 -7.718 -6.562 -16.007 1.00 0.00 C ATOM 729 O THR A 82 -8.162 -7.217 -16.952 1.00 0.00 O ATOM 730 CB THR A 82 -8.651 -4.598 -14.724 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.503 -4.198 -13.664 1.00 0.00 O ATOM 732 CG2 THR A 82 -9.112 -3.876 -15.974 1.00 0.00 C ATOM 0 H THR A 82 -7.586 -6.188 -13.055 1.00 0.00 H new ATOM 0 HA THR A 82 -9.653 -6.461 -15.103 1.00 0.00 H new ATOM 0 HB THR A 82 -7.614 -4.325 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.971 -4.049 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.093 -2.800 -15.801 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.448 -4.122 -16.802 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.128 -4.186 -16.219 1.00 0.00 H new ATOM 740 N ASN A 83 -6.434 -6.201 -15.908 1.00 0.00 N ATOM 741 CA ASN A 83 -5.442 -6.558 -16.935 1.00 0.00 C ATOM 742 C ASN A 83 -4.054 -5.977 -16.631 1.00 0.00 C ATOM 743 O ASN A 83 -3.040 -6.569 -17.004 1.00 0.00 O ATOM 744 CB ASN A 83 -5.897 -6.095 -18.330 1.00 0.00 C ATOM 745 CG ASN A 83 -6.624 -4.759 -18.312 1.00 0.00 C ATOM 746 OD1 ASN A 83 -7.835 -4.699 -18.520 1.00 0.00 O ATOM 747 ND2 ASN A 83 -5.889 -3.676 -18.076 1.00 0.00 N ATOM 0 H ASN A 83 -6.055 -5.662 -15.129 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.365 -7.645 -16.922 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.027 -6.019 -18.982 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.552 -6.852 -18.761 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.327 -2.755 -18.063 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.887 -3.766 -17.908 1.00 0.00 H new ATOM 754 N ASN A 84 -4.011 -4.811 -15.971 1.00 0.00 N ATOM 755 CA ASN A 84 -2.745 -4.154 -15.638 1.00 0.00 C ATOM 756 C ASN A 84 -1.853 -5.062 -14.799 1.00 0.00 C ATOM 757 O ASN A 84 -2.017 -5.166 -13.581 1.00 0.00 O ATOM 758 CB ASN A 84 -3.001 -2.845 -14.893 1.00 0.00 C ATOM 759 CG ASN A 84 -3.188 -1.674 -15.836 1.00 0.00 C ATOM 760 OD1 ASN A 84 -2.265 -0.893 -16.062 1.00 0.00 O ATOM 761 ND2 ASN A 84 -4.385 -1.546 -16.393 1.00 0.00 N ATOM 0 H ASN A 84 -4.840 -4.306 -15.658 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.229 -3.938 -16.574 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -3.889 -2.952 -14.270 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.165 -2.640 -14.225 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.568 -0.777 -17.037 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.122 -2.217 -16.177 1.00 0.00 H new ATOM 768 N VAL A 85 -0.916 -5.717 -15.472 1.00 0.00 N ATOM 769 CA VAL A 85 0.016 -6.632 -14.818 1.00 0.00 C ATOM 770 C VAL A 85 1.380 -6.627 -15.514 1.00 0.00 C ATOM 771 O VAL A 85 1.661 -7.480 -16.359 1.00 0.00 O ATOM 772 CB VAL A 85 -0.533 -8.079 -14.792 1.00 0.00 C ATOM 773 CG1 VAL A 85 0.397 -8.987 -14.005 1.00 0.00 C ATOM 774 CG2 VAL A 85 -1.940 -8.121 -14.208 1.00 0.00 C ATOM 0 H VAL A 85 -0.779 -5.632 -16.479 1.00 0.00 H new ATOM 0 HA VAL A 85 0.134 -6.279 -13.794 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.584 -8.439 -15.820 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.005 -10.000 -13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.382 -8.991 -14.471 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.481 -8.622 -12.981 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.301 -9.150 -14.202 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.922 -7.737 -13.188 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.605 -7.507 -14.816 1.00 0.00 H new ATOM 784 N THR A 86 2.224 -5.662 -15.152 1.00 0.00 N ATOM 785 CA THR A 86 3.562 -5.552 -15.739 1.00 0.00 C ATOM 786 C THR A 86 4.609 -5.134 -14.695 1.00 0.00 C ATOM 787 O THR A 86 5.696 -4.675 -15.052 1.00 0.00 O ATOM 788 CB THR A 86 3.557 -4.556 -16.909 1.00 0.00 C ATOM 789 OG1 THR A 86 3.347 -3.229 -16.451 1.00 0.00 O ATOM 790 CG2 THR A 86 2.498 -4.855 -17.951 1.00 0.00 C ATOM 0 H THR A 86 2.008 -4.947 -14.458 1.00 0.00 H new ATOM 0 HA THR A 86 3.836 -6.539 -16.111 1.00 0.00 H new ATOM 0 HB THR A 86 4.539 -4.660 -17.371 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.350 -2.615 -17.215 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.552 -4.113 -18.748 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.668 -5.848 -18.368 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.512 -4.820 -17.488 1.00 0.00 H new ATOM 798 N HIS A 87 4.278 -5.299 -13.408 1.00 0.00 N ATOM 799 CA HIS A 87 5.192 -4.939 -12.322 1.00 0.00 C ATOM 800 C HIS A 87 4.583 -5.268 -10.955 1.00 0.00 C ATOM 801 O HIS A 87 3.441 -5.726 -10.867 1.00 0.00 O ATOM 802 CB HIS A 87 5.543 -3.444 -12.389 1.00 0.00 C ATOM 803 CG HIS A 87 4.354 -2.533 -12.301 1.00 0.00 C ATOM 804 ND1 HIS A 87 3.937 -1.736 -13.347 1.00 0.00 N ATOM 805 CD2 HIS A 87 3.489 -2.300 -11.284 1.00 0.00 C ATOM 806 CE1 HIS A 87 2.870 -1.051 -12.976 1.00 0.00 C ATOM 807 NE2 HIS A 87 2.578 -1.376 -11.730 1.00 0.00 N ATOM 0 H HIS A 87 3.384 -5.679 -13.096 1.00 0.00 H new ATOM 0 HA HIS A 87 6.102 -5.526 -12.445 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.231 -3.206 -11.578 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.071 -3.247 -13.322 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.512 -2.756 -10.305 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.328 -0.345 -13.588 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.801 -1.001 -11.187 1.00 0.00 H new ATOM 816 N LYS A 88 5.352 -5.018 -9.894 1.00 0.00 N ATOM 817 CA LYS A 88 4.896 -5.269 -8.528 1.00 0.00 C ATOM 818 C LYS A 88 5.040 -4.011 -7.675 1.00 0.00 C ATOM 819 O LYS A 88 5.731 -3.066 -8.062 1.00 0.00 O ATOM 820 CB LYS A 88 5.693 -6.415 -7.897 1.00 0.00 C ATOM 821 CG LYS A 88 5.175 -7.799 -8.260 1.00 0.00 C ATOM 822 CD LYS A 88 6.175 -8.560 -9.116 1.00 0.00 C ATOM 823 CE LYS A 88 5.514 -9.703 -9.872 1.00 0.00 C ATOM 824 NZ LYS A 88 5.691 -11.012 -9.180 1.00 0.00 N ATOM 0 H LYS A 88 6.297 -4.640 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 88 3.844 -5.550 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.735 -6.335 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.674 -6.304 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.970 -8.363 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.231 -7.706 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.641 -7.876 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.970 -8.954 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.450 -9.495 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.935 -9.764 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.225 -11.761 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.705 -11.225 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.266 -10.964 -8.232 1.00 0.00 H new ATOM 838 N ILE A 89 4.393 -4.004 -6.511 1.00 0.00 N ATOM 839 CA ILE A 89 4.465 -2.856 -5.612 1.00 0.00 C ATOM 840 C ILE A 89 5.718 -2.928 -4.740 1.00 0.00 C ATOM 841 O ILE A 89 5.722 -3.584 -3.697 1.00 0.00 O ATOM 842 CB ILE A 89 3.219 -2.752 -4.702 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.933 -2.828 -5.532 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.260 -1.458 -3.898 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.670 -2.847 -4.694 1.00 0.00 C ATOM 0 H ILE A 89 3.817 -4.774 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 89 4.506 -1.967 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 89 3.227 -3.594 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.897 -1.975 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.962 -3.725 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.377 -1.397 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.156 -1.443 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.276 -0.607 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.200 -2.902 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.684 -3.715 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.617 -1.938 -4.095 1.00 0.00 H new ATOM 857 N THR A 90 6.778 -2.246 -5.174 1.00 0.00 N ATOM 858 CA THR A 90 8.037 -2.228 -4.427 1.00 0.00 C ATOM 859 C THR A 90 7.919 -1.311 -3.211 1.00 0.00 C ATOM 860 O THR A 90 6.899 -0.645 -3.029 1.00 0.00 O ATOM 861 CB THR A 90 9.193 -1.765 -5.325 1.00 0.00 C ATOM 862 OG1 THR A 90 9.109 -0.371 -5.585 1.00 0.00 O ATOM 863 CG2 THR A 90 9.245 -2.482 -6.660 1.00 0.00 C ATOM 0 H THR A 90 6.791 -1.700 -6.036 1.00 0.00 H new ATOM 0 HA THR A 90 8.247 -3.242 -4.086 1.00 0.00 H new ATOM 0 HB THR A 90 10.098 -2.006 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.857 -0.099 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.086 -2.105 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.369 -3.552 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.318 -2.305 -7.205 1.00 0.00 H new ATOM 871 N GLU A 91 8.964 -1.271 -2.383 1.00 0.00 N ATOM 872 CA GLU A 91 8.957 -0.418 -1.192 1.00 0.00 C ATOM 873 C GLU A 91 8.662 1.037 -1.567 1.00 0.00 C ATOM 874 O GLU A 91 7.914 1.724 -0.874 1.00 0.00 O ATOM 875 CB GLU A 91 10.287 -0.516 -0.431 1.00 0.00 C ATOM 876 CG GLU A 91 11.526 -0.298 -1.292 1.00 0.00 C ATOM 877 CD GLU A 91 12.226 1.016 -0.994 1.00 0.00 C ATOM 878 OE1 GLU A 91 12.835 1.132 0.089 1.00 0.00 O ATOM 879 OE2 GLU A 91 12.167 1.926 -1.846 1.00 0.00 O ATOM 0 H GLU A 91 9.818 -1.813 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 91 8.164 -0.774 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.285 0.219 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.353 -1.499 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.223 -1.120 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.241 -0.322 -2.344 1.00 0.00 H new ATOM 886 N ALA A 92 9.245 1.494 -2.676 1.00 0.00 N ATOM 887 CA ALA A 92 9.030 2.860 -3.154 1.00 0.00 C ATOM 888 C ALA A 92 7.605 3.045 -3.682 1.00 0.00 C ATOM 889 O ALA A 92 6.952 4.050 -3.393 1.00 0.00 O ATOM 890 CB ALA A 92 10.045 3.214 -4.232 1.00 0.00 C ATOM 0 H ALA A 92 9.870 0.938 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 92 9.166 3.535 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.870 4.233 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.052 3.137 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.940 2.525 -5.070 1.00 0.00 H new ATOM 896 N GLU A 93 7.137 2.070 -4.465 1.00 0.00 N ATOM 897 CA GLU A 93 5.795 2.118 -5.050 1.00 0.00 C ATOM 898 C GLU A 93 4.703 2.032 -3.981 1.00 0.00 C ATOM 899 O GLU A 93 3.702 2.742 -4.056 1.00 0.00 O ATOM 900 CB GLU A 93 5.617 0.986 -6.069 1.00 0.00 C ATOM 901 CG GLU A 93 4.941 1.427 -7.361 1.00 0.00 C ATOM 902 CD GLU A 93 5.736 1.071 -8.607 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.394 0.008 -8.617 1.00 0.00 O ATOM 904 OE2 GLU A 93 5.692 1.856 -9.579 1.00 0.00 O ATOM 0 H GLU A 93 7.670 1.235 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 93 5.694 3.079 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.594 0.565 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.028 0.189 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.955 0.966 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.787 2.506 -7.333 1.00 0.00 H new ATOM 911 N ILE A 94 4.891 1.158 -2.991 1.00 0.00 N ATOM 912 CA ILE A 94 3.904 0.997 -1.925 1.00 0.00 C ATOM 913 C ILE A 94 3.748 2.282 -1.107 1.00 0.00 C ATOM 914 O ILE A 94 2.632 2.658 -0.745 1.00 0.00 O ATOM 915 CB ILE A 94 4.251 -0.191 -0.991 1.00 0.00 C ATOM 916 CG1 ILE A 94 3.093 -0.471 -0.032 1.00 0.00 C ATOM 917 CG2 ILE A 94 5.535 0.066 -0.216 1.00 0.00 C ATOM 918 CD1 ILE A 94 2.877 -1.943 0.238 1.00 0.00 C ATOM 0 H ILE A 94 5.710 0.556 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 94 2.953 0.779 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 94 4.411 -1.070 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.282 0.040 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.178 -0.047 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.748 -0.787 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.360 0.208 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.419 0.962 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.041 -2.068 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.657 -2.456 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.778 -2.368 0.681 1.00 0.00 H new ATOM 930 N VAL A 95 4.864 2.961 -0.832 1.00 0.00 N ATOM 931 CA VAL A 95 4.832 4.207 -0.066 1.00 0.00 C ATOM 932 C VAL A 95 4.084 5.303 -0.830 1.00 0.00 C ATOM 933 O VAL A 95 3.297 6.047 -0.241 1.00 0.00 O ATOM 934 CB VAL A 95 6.254 4.707 0.281 1.00 0.00 C ATOM 935 CG1 VAL A 95 6.195 5.998 1.085 1.00 0.00 C ATOM 936 CG2 VAL A 95 7.032 3.641 1.040 1.00 0.00 C ATOM 0 H VAL A 95 5.796 2.670 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 95 4.305 3.989 0.863 1.00 0.00 H new ATOM 0 HB VAL A 95 6.775 4.911 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.207 6.329 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.686 6.766 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.649 5.824 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.029 4.015 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.509 3.399 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.115 2.745 0.425 1.00 0.00 H new ATOM 946 N SER A 96 4.328 5.399 -2.141 1.00 0.00 N ATOM 947 CA SER A 96 3.665 6.407 -2.968 1.00 0.00 C ATOM 948 C SER A 96 2.152 6.187 -2.990 1.00 0.00 C ATOM 949 O SER A 96 1.380 7.142 -2.886 1.00 0.00 O ATOM 950 CB SER A 96 4.225 6.399 -4.396 1.00 0.00 C ATOM 951 OG SER A 96 3.949 5.175 -5.060 1.00 0.00 O ATOM 0 H SER A 96 4.975 4.795 -2.647 1.00 0.00 H new ATOM 0 HA SER A 96 3.864 7.383 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.793 7.225 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.302 6.562 -4.366 1.00 0.00 H new ATOM 0 HG SER A 96 4.032 4.433 -4.426 1.00 0.00 H new ATOM 957 N ILE A 97 1.731 4.924 -3.114 1.00 0.00 N ATOM 958 CA ILE A 97 0.307 4.595 -3.133 1.00 0.00 C ATOM 959 C ILE A 97 -0.337 4.930 -1.787 1.00 0.00 C ATOM 960 O ILE A 97 -1.396 5.556 -1.738 1.00 0.00 O ATOM 961 CB ILE A 97 0.054 3.104 -3.464 1.00 0.00 C ATOM 962 CG1 ILE A 97 0.731 2.715 -4.784 1.00 0.00 C ATOM 963 CG2 ILE A 97 -1.442 2.828 -3.537 1.00 0.00 C ATOM 964 CD1 ILE A 97 1.127 1.256 -4.853 1.00 0.00 C ATOM 0 H ILE A 97 2.353 4.120 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.145 5.197 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 97 0.487 2.499 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.055 2.939 -5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.619 3.331 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.607 1.776 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.903 3.063 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.889 3.447 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.600 1.052 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.827 1.031 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.239 0.633 -4.746 1.00 0.00 H new ATOM 976 N LEU A 98 0.320 4.523 -0.698 1.00 0.00 N ATOM 977 CA LEU A 98 -0.179 4.792 0.651 1.00 0.00 C ATOM 978 C LEU A 98 -0.302 6.298 0.897 1.00 0.00 C ATOM 979 O LEU A 98 -1.275 6.758 1.497 1.00 0.00 O ATOM 980 CB LEU A 98 0.748 4.168 1.698 1.00 0.00 C ATOM 981 CG LEU A 98 0.428 2.717 2.072 1.00 0.00 C ATOM 982 CD1 LEU A 98 1.625 1.814 1.811 1.00 0.00 C ATOM 983 CD2 LEU A 98 -0.001 2.624 3.528 1.00 0.00 C ATOM 0 H LEU A 98 1.199 4.006 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.169 4.344 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.772 4.213 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.710 4.776 2.602 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.397 2.379 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.374 0.789 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.887 1.854 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.472 2.151 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.224 1.586 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.804 2.985 4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.891 3.234 3.685 1.00 0.00 H new ATOM 995 N ASN A 99 0.691 7.060 0.426 1.00 0.00 N ATOM 996 CA ASN A 99 0.696 8.515 0.588 1.00 0.00 C ATOM 997 C ASN A 99 -0.464 9.160 -0.167 1.00 0.00 C ATOM 998 O ASN A 99 -1.063 10.123 0.312 1.00 0.00 O ATOM 999 CB ASN A 99 2.019 9.107 0.094 1.00 0.00 C ATOM 1000 CG ASN A 99 3.004 9.345 1.221 1.00 0.00 C ATOM 1001 OD1 ASN A 99 3.075 10.440 1.777 1.00 0.00 O ATOM 1002 ND2 ASN A 99 3.770 8.316 1.567 1.00 0.00 N ATOM 0 H ASN A 99 1.502 6.691 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 99 0.580 8.727 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.465 8.433 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.823 10.049 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.450 8.417 2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.678 7.425 1.079 1.00 0.00 H new ATOM 1009 N GLY A 100 -0.791 8.611 -1.337 1.00 0.00 N ATOM 1010 CA GLY A 100 -1.892 9.140 -2.122 1.00 0.00 C ATOM 1011 C GLY A 100 -3.227 8.794 -1.503 1.00 0.00 C ATOM 1012 O GLY A 100 -4.159 9.599 -1.518 1.00 0.00 O ATOM 0 H GLY A 100 -0.313 7.811 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.796 10.223 -2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.844 8.740 -3.135 1.00 0.00 H new ATOM 1016 N ILE A 101 -3.299 7.592 -0.936 1.00 0.00 N ATOM 1017 CA ILE A 101 -4.502 7.111 -0.276 1.00 0.00 C ATOM 1018 C ILE A 101 -4.872 8.011 0.909 1.00 0.00 C ATOM 1019 O ILE A 101 -6.051 8.252 1.171 1.00 0.00 O ATOM 1020 CB ILE A 101 -4.304 5.659 0.216 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -4.355 4.688 -0.966 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -5.345 5.292 1.260 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -3.616 3.390 -0.716 1.00 0.00 C ATOM 0 H ILE A 101 -2.525 6.928 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.315 7.136 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.322 5.586 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.396 4.465 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.931 5.175 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.184 4.266 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.258 5.965 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.341 5.382 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.695 2.751 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.566 3.602 -0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.055 2.881 0.142 1.00 0.00 H new ATOM 1035 N ALA A 102 -3.854 8.511 1.613 1.00 0.00 N ATOM 1036 CA ALA A 102 -4.069 9.391 2.760 1.00 0.00 C ATOM 1037 C ALA A 102 -4.480 10.797 2.313 1.00 0.00 C ATOM 1038 O ALA A 102 -5.173 11.506 3.045 1.00 0.00 O ATOM 1039 CB ALA A 102 -2.816 9.454 3.624 1.00 0.00 C ATOM 0 H ALA A 102 -2.873 8.321 1.408 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.884 8.976 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.993 10.113 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.572 8.455 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.985 9.839 3.033 1.00 0.00 H new ATOM 1045 N LYS A 103 -4.048 11.195 1.112 1.00 0.00 N ATOM 1046 CA LYS A 103 -4.374 12.516 0.574 1.00 0.00 C ATOM 1047 C LYS A 103 -5.871 12.642 0.286 1.00 0.00 C ATOM 1048 O LYS A 103 -6.491 13.648 0.632 1.00 0.00 O ATOM 1049 CB LYS A 103 -3.574 12.788 -0.704 1.00 0.00 C ATOM 1050 CG LYS A 103 -3.577 14.251 -1.127 1.00 0.00 C ATOM 1051 CD LYS A 103 -4.649 14.534 -2.171 1.00 0.00 C ATOM 1052 CE LYS A 103 -4.131 14.313 -3.585 1.00 0.00 C ATOM 1053 NZ LYS A 103 -4.188 12.877 -3.986 1.00 0.00 N ATOM 0 H LYS A 103 -3.473 10.621 0.496 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.105 13.256 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.544 12.464 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.983 12.184 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.744 14.882 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.599 14.515 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.509 13.888 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.996 15.562 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.720 14.908 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.102 14.667 -3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.175 12.805 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.366 12.374 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.062 12.449 -3.620 1.00 0.00 H new ATOM 1067 N GLN A 104 -6.445 11.617 -0.352 1.00 0.00 N ATOM 1068 CA GLN A 104 -7.873 11.620 -0.686 1.00 0.00 C ATOM 1069 C GLN A 104 -8.742 11.472 0.569 1.00 0.00 C ATOM 1070 O GLN A 104 -9.854 12.000 0.624 1.00 0.00 O ATOM 1071 CB GLN A 104 -8.205 10.512 -1.698 1.00 0.00 C ATOM 1072 CG GLN A 104 -7.675 9.133 -1.321 1.00 0.00 C ATOM 1073 CD GLN A 104 -8.784 8.123 -1.078 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -9.755 8.056 -1.832 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -8.646 7.327 -0.022 1.00 0.00 N ATOM 0 H GLN A 104 -5.945 10.778 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.098 12.584 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.288 10.453 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.798 10.791 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.025 8.768 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.063 9.217 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.826 7.414 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.360 6.629 0.187 1.00 0.00 H new