USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 9 SER OG : rot 15:sc= 0.642 USER MOD Set 1.2: A 11 THR OG1 : rot -52:sc= 0.175 USER MOD Set 1.3: A 96 GLN : amide:sc= -1 K(o=-0.18,f=-4.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.7) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -37:sc= 0.287 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.42! C(o=-3.2!,f=-2.4!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.127 F(o=-3.2!,f=-0.13) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.25! C(o=-2.9!,f=-2.3!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -136:sc= -0.289 (180deg=-1.29!) USER MOD Single : A 88 THR OG1 : rot -90:sc= 1.18 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.195 -6.550 -0.413 1.00 0.00 N ATOM 67 CA LYS A 8 -13.233 -5.445 -1.356 1.00 0.00 C ATOM 68 C LYS A 8 -11.807 -4.961 -1.626 1.00 0.00 C ATOM 69 O LYS A 8 -10.926 -5.113 -0.782 1.00 0.00 O ATOM 70 CB LYS A 8 -14.171 -4.345 -0.853 1.00 0.00 C ATOM 71 CG LYS A 8 -15.384 -4.195 -1.774 1.00 0.00 C ATOM 72 CD LYS A 8 -16.603 -4.916 -1.196 1.00 0.00 C ATOM 73 CE LYS A 8 -17.822 -4.747 -2.105 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.040 -5.263 -1.440 1.00 0.00 N ATOM 0 HA LYS A 8 -13.645 -5.772 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.504 -4.580 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.632 -3.399 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.613 -3.138 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.150 -4.600 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.379 -5.976 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.827 -4.522 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.955 -3.694 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.660 -5.278 -3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.858 -5.141 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.917 -6.273 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.202 -4.738 -0.557 1.00 0.00 H new ATOM 88 N SER A 9 -11.624 -4.389 -2.807 1.00 0.00 N ATOM 89 CA SER A 9 -10.320 -3.882 -3.199 1.00 0.00 C ATOM 90 C SER A 9 -10.439 -2.425 -3.648 1.00 0.00 C ATOM 91 O SER A 9 -11.190 -2.114 -4.571 1.00 0.00 O ATOM 92 CB SER A 9 -9.712 -4.734 -4.316 1.00 0.00 C ATOM 93 OG SER A 9 -10.349 -4.504 -5.569 1.00 0.00 O ATOM 0 H SER A 9 -12.357 -4.265 -3.505 1.00 0.00 H new ATOM 0 HA SER A 9 -9.657 -3.936 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.649 -4.512 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.797 -5.789 -4.054 1.00 0.00 H new ATOM 0 HG SER A 9 -10.878 -3.681 -5.521 1.00 0.00 H new ATOM 99 N LEU A 10 -9.685 -1.568 -2.974 1.00 0.00 N ATOM 100 CA LEU A 10 -9.696 -0.150 -3.292 1.00 0.00 C ATOM 101 C LEU A 10 -8.324 0.257 -3.832 1.00 0.00 C ATOM 102 O LEU A 10 -7.318 -0.383 -3.528 1.00 0.00 O ATOM 103 CB LEU A 10 -10.148 0.667 -2.080 1.00 0.00 C ATOM 104 CG LEU A 10 -11.039 -0.063 -1.073 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.133 -0.860 -1.786 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.205 -0.943 -0.139 1.00 0.00 C ATOM 0 H LEU A 10 -9.063 -1.829 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.423 0.060 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.261 1.025 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.684 1.546 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.536 0.683 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.752 -1.369 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.752 -0.182 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.675 -1.597 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.863 -1.450 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.662 -1.684 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.495 -0.322 0.408 1.00 0.00 H new ATOM 118 N THR A 11 -8.327 1.320 -4.623 1.00 0.00 N ATOM 119 CA THR A 11 -7.094 1.821 -5.207 1.00 0.00 C ATOM 120 C THR A 11 -6.657 3.110 -4.508 1.00 0.00 C ATOM 121 O THR A 11 -7.489 3.950 -4.170 1.00 0.00 O ATOM 122 CB THR A 11 -7.320 1.993 -6.711 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.299 1.007 -7.030 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.098 1.585 -7.537 1.00 0.00 C ATOM 0 H THR A 11 -9.163 1.848 -4.873 1.00 0.00 H new ATOM 0 HA THR A 11 -6.274 1.117 -5.064 1.00 0.00 H new ATOM 0 HB THR A 11 -7.572 3.032 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.005 0.134 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.311 1.726 -8.597 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.245 2.201 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.866 0.536 -7.350 1.00 0.00 H new ATOM 132 N LEU A 12 -5.352 3.224 -4.311 1.00 0.00 N ATOM 133 CA LEU A 12 -4.794 4.396 -3.658 1.00 0.00 C ATOM 134 C LEU A 12 -3.489 4.789 -4.352 1.00 0.00 C ATOM 135 O LEU A 12 -2.705 3.925 -4.743 1.00 0.00 O ATOM 136 CB LEU A 12 -4.641 4.150 -2.155 1.00 0.00 C ATOM 137 CG LEU A 12 -5.032 2.756 -1.661 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.824 1.817 -1.660 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.702 2.829 -0.287 1.00 0.00 C ATOM 0 H LEU A 12 -4.665 2.524 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.473 5.243 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.602 4.333 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.245 4.885 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.763 2.340 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.129 0.833 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.429 1.731 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.053 2.217 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.970 1.825 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.013 3.273 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.601 3.441 -0.353 1.00 0.00 H new ATOM 151 N VAL A 13 -3.295 6.093 -4.485 1.00 0.00 N ATOM 152 CA VAL A 13 -2.099 6.611 -5.126 1.00 0.00 C ATOM 153 C VAL A 13 -1.097 7.043 -4.053 1.00 0.00 C ATOM 154 O VAL A 13 -1.371 7.956 -3.275 1.00 0.00 O ATOM 155 CB VAL A 13 -2.468 7.740 -6.090 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.460 9.094 -5.376 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.534 7.754 -7.302 1.00 0.00 C ATOM 0 H VAL A 13 -3.947 6.807 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.620 5.836 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.480 7.556 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.726 9.880 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.183 9.080 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.465 9.288 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.818 8.566 -7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.507 7.902 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.610 6.804 -7.831 1.00 0.00 H new ATOM 167 N LEU A 14 0.042 6.367 -4.045 1.00 0.00 N ATOM 168 CA LEU A 14 1.085 6.671 -3.080 1.00 0.00 C ATOM 169 C LEU A 14 2.172 7.509 -3.757 1.00 0.00 C ATOM 170 O LEU A 14 2.339 7.448 -4.974 1.00 0.00 O ATOM 171 CB LEU A 14 1.611 5.385 -2.438 1.00 0.00 C ATOM 172 CG LEU A 14 0.715 4.754 -1.370 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.385 3.530 -0.745 1.00 0.00 C ATOM 174 CD2 LEU A 14 0.307 5.786 -0.316 1.00 0.00 C ATOM 0 H LEU A 14 0.266 5.610 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 14 0.684 7.269 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.776 4.650 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.582 5.597 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.199 4.409 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.727 3.101 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.581 2.788 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.325 3.827 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.329 5.311 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.199 6.184 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.240 6.598 -0.795 1.00 0.00 H new ATOM 186 N HIS A 15 2.883 8.271 -2.939 1.00 0.00 N ATOM 187 CA HIS A 15 3.949 9.119 -3.443 1.00 0.00 C ATOM 188 C HIS A 15 5.151 9.048 -2.500 1.00 0.00 C ATOM 189 O HIS A 15 4.997 9.135 -1.283 1.00 0.00 O ATOM 190 CB HIS A 15 3.449 10.549 -3.659 1.00 0.00 C ATOM 191 CG HIS A 15 2.210 10.644 -4.518 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.130 10.086 -5.781 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.005 11.236 -4.281 1.00 0.00 C ATOM 194 CE1 HIS A 15 0.926 10.337 -6.274 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.231 11.051 -5.343 1.00 0.00 N ATOM 0 H HIS A 15 2.741 8.319 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 15 4.275 8.758 -4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.241 11.001 -2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.244 11.135 -4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.727 11.766 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.560 10.030 -7.243 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.726 11.388 -5.446 1.00 0.00 H new ATOM 268 N LEU A 21 7.694 7.225 1.394 1.00 0.00 N ATOM 269 CA LEU A 21 6.277 7.094 1.100 1.00 0.00 C ATOM 270 C LEU A 21 5.465 7.621 2.285 1.00 0.00 C ATOM 271 O LEU A 21 4.441 8.276 2.097 1.00 0.00 O ATOM 272 CB LEU A 21 5.941 5.652 0.717 1.00 0.00 C ATOM 273 CG LEU A 21 6.402 5.202 -0.671 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.505 5.788 -1.764 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.876 5.543 -0.897 1.00 0.00 C ATOM 0 HA LEU A 21 6.009 7.700 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.384 4.987 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.860 5.523 0.779 1.00 0.00 H new ATOM 0 HG LEU A 21 6.310 4.117 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.855 5.453 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.479 5.453 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.542 6.876 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.178 5.212 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.017 6.621 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.485 5.039 -0.147 1.00 0.00 H new ATOM 287 N GLY A 22 5.952 7.316 3.478 1.00 0.00 N ATOM 288 CA GLY A 22 5.284 7.750 4.693 1.00 0.00 C ATOM 289 C GLY A 22 4.484 6.606 5.319 1.00 0.00 C ATOM 290 O GLY A 22 3.350 6.801 5.754 1.00 0.00 O ATOM 0 H GLY A 22 6.802 6.773 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.022 8.115 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.618 8.583 4.468 1.00 0.00 H new ATOM 294 N PHE A 23 5.106 5.436 5.343 1.00 0.00 N ATOM 295 CA PHE A 23 4.467 4.260 5.908 1.00 0.00 C ATOM 296 C PHE A 23 5.432 3.073 5.940 1.00 0.00 C ATOM 297 O PHE A 23 6.544 3.159 5.422 1.00 0.00 O ATOM 298 CB PHE A 23 3.283 3.916 5.002 1.00 0.00 C ATOM 299 CG PHE A 23 3.663 3.097 3.766 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.529 3.609 2.851 1.00 0.00 C ATOM 301 CD2 PHE A 23 3.135 1.857 3.583 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.882 2.850 1.704 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.488 1.097 2.436 1.00 0.00 C ATOM 304 CZ PHE A 23 4.354 1.610 1.521 1.00 0.00 C ATOM 0 H PHE A 23 6.046 5.278 4.980 1.00 0.00 H new ATOM 0 HA PHE A 23 4.151 4.464 6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.545 3.360 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.805 4.841 4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.949 4.593 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.447 1.450 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.569 3.257 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.069 0.112 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.622 1.032 0.649 1.00 0.00 H new ATOM 314 N ASN A 24 4.970 1.993 6.553 1.00 0.00 N ATOM 315 CA ASN A 24 5.779 0.790 6.659 1.00 0.00 C ATOM 316 C ASN A 24 4.898 -0.435 6.408 1.00 0.00 C ATOM 317 O ASN A 24 3.675 -0.321 6.337 1.00 0.00 O ATOM 318 CB ASN A 24 6.387 0.657 8.056 1.00 0.00 C ATOM 319 CG ASN A 24 7.916 0.641 7.990 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.558 -0.386 8.128 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.460 1.835 7.771 1.00 0.00 N ATOM 0 H ASN A 24 4.047 1.926 6.981 1.00 0.00 H new ATOM 0 HA ASN A 24 6.580 0.856 5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.055 1.486 8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.030 -0.259 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.474 1.930 7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.863 2.655 7.665 1.00 0.00 H new ATOM 328 N ILE A 25 5.553 -1.580 6.281 1.00 0.00 N ATOM 329 CA ILE A 25 4.845 -2.825 6.040 1.00 0.00 C ATOM 330 C ILE A 25 5.373 -3.900 6.992 1.00 0.00 C ATOM 331 O ILE A 25 6.461 -3.762 7.547 1.00 0.00 O ATOM 332 CB ILE A 25 4.933 -3.214 4.563 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.277 -2.793 3.964 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.751 -2.647 3.774 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.675 -3.713 2.809 1.00 0.00 C ATOM 0 H ILE A 25 6.567 -1.671 6.341 1.00 0.00 H new ATOM 0 HA ILE A 25 3.782 -2.706 6.252 1.00 0.00 H new ATOM 0 HB ILE A 25 4.875 -4.300 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.215 -1.764 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.047 -2.818 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.839 -2.939 2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.819 -3.038 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.752 -1.560 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.634 -3.392 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.760 -4.737 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.915 -3.667 2.029 1.00 0.00 H new ATOM 347 N ILE A 26 4.576 -4.947 7.151 1.00 0.00 N ATOM 348 CA ILE A 26 4.950 -6.045 8.026 1.00 0.00 C ATOM 349 C ILE A 26 4.862 -7.362 7.252 1.00 0.00 C ATOM 350 O ILE A 26 4.233 -7.424 6.197 1.00 0.00 O ATOM 351 CB ILE A 26 4.106 -6.024 9.302 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.731 -6.650 9.060 1.00 0.00 C ATOM 353 CG2 ILE A 26 3.999 -4.606 9.866 1.00 0.00 C ATOM 354 CD1 ILE A 26 1.928 -6.728 10.360 1.00 0.00 C ATOM 0 H ILE A 26 3.673 -5.058 6.689 1.00 0.00 H new ATOM 0 HA ILE A 26 5.984 -5.936 8.353 1.00 0.00 H new ATOM 0 HB ILE A 26 4.609 -6.632 10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.183 -6.060 8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.851 -7.649 8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.394 -4.620 10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.995 -4.232 10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.531 -3.955 9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.955 -7.177 10.160 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.467 -7.338 11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.789 -5.725 10.763 1.00 0.00 H new ATOM 555 N GLY A 42 2.833 -12.229 3.473 1.00 0.00 N ATOM 556 CA GLY A 42 1.775 -11.238 3.368 1.00 0.00 C ATOM 557 C GLY A 42 2.292 -9.844 3.728 1.00 0.00 C ATOM 558 O GLY A 42 2.974 -9.672 4.737 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.377 -11.231 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.953 -11.507 4.031 1.00 0.00 H new ATOM 562 N ILE A 43 1.948 -8.883 2.882 1.00 0.00 N ATOM 563 CA ILE A 43 2.369 -7.510 3.098 1.00 0.00 C ATOM 564 C ILE A 43 1.201 -6.708 3.677 1.00 0.00 C ATOM 565 O ILE A 43 0.142 -6.612 3.058 1.00 0.00 O ATOM 566 CB ILE A 43 2.943 -6.916 1.810 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.003 -7.840 1.206 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.481 -5.504 2.049 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.019 -8.274 2.264 1.00 0.00 C ATOM 0 H ILE A 43 1.382 -9.029 2.046 1.00 0.00 H new ATOM 0 HA ILE A 43 3.177 -7.470 3.828 1.00 0.00 H new ATOM 0 HB ILE A 43 2.136 -6.833 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.522 -8.719 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.516 -7.328 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.883 -5.105 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.673 -4.862 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.270 -5.538 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.761 -8.930 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.515 -7.395 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.506 -8.807 3.064 1.00 0.00 H new ATOM 581 N PHE A 44 1.434 -6.153 4.857 1.00 0.00 N ATOM 582 CA PHE A 44 0.414 -5.363 5.527 1.00 0.00 C ATOM 583 C PHE A 44 1.019 -4.104 6.151 1.00 0.00 C ATOM 584 O PHE A 44 2.176 -4.108 6.569 1.00 0.00 O ATOM 585 CB PHE A 44 -0.172 -6.237 6.637 1.00 0.00 C ATOM 586 CG PHE A 44 -0.988 -7.427 6.127 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.365 -8.462 5.505 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.338 -7.448 6.297 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.123 -9.566 5.032 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.095 -8.552 5.824 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.472 -9.587 5.201 1.00 0.00 C ATOM 0 H PHE A 44 2.314 -6.234 5.367 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.346 -5.052 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.641 -6.608 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.807 -5.621 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.706 -8.445 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.833 -6.625 6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.628 -10.389 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.166 -8.569 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.048 -10.426 4.840 1.00 0.00 H new ATOM 601 N VAL A 45 0.209 -3.056 6.195 1.00 0.00 N ATOM 602 CA VAL A 45 0.649 -1.793 6.761 1.00 0.00 C ATOM 603 C VAL A 45 0.332 -1.771 8.257 1.00 0.00 C ATOM 604 O VAL A 45 -0.806 -2.008 8.658 1.00 0.00 O ATOM 605 CB VAL A 45 0.014 -0.628 5.998 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.434 0.715 6.600 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.359 -0.694 4.509 1.00 0.00 C ATOM 0 H VAL A 45 -0.750 -3.056 5.848 1.00 0.00 H new ATOM 0 HA VAL A 45 1.728 -1.683 6.656 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.068 -0.715 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.031 1.526 6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.114 0.763 7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.518 0.813 6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.105 0.145 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.441 -0.645 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.013 -1.629 4.090 1.00 0.00 H new ATOM 617 N SER A 46 1.360 -1.485 9.043 1.00 0.00 N ATOM 618 CA SER A 46 1.206 -1.430 10.487 1.00 0.00 C ATOM 619 C SER A 46 1.546 -0.028 10.996 1.00 0.00 C ATOM 620 O SER A 46 1.376 0.265 12.179 1.00 0.00 O ATOM 621 CB SER A 46 2.088 -2.473 11.176 1.00 0.00 C ATOM 622 OG SER A 46 1.811 -2.570 12.570 1.00 0.00 O ATOM 0 H SER A 46 2.303 -1.289 8.707 1.00 0.00 H new ATOM 0 HA SER A 46 0.167 -1.656 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.933 -3.445 10.707 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.137 -2.213 11.032 1.00 0.00 H new ATOM 0 HG SER A 46 1.608 -1.680 12.926 1.00 0.00 H new ATOM 628 N LYS A 47 2.020 0.801 10.078 1.00 0.00 N ATOM 629 CA LYS A 47 2.386 2.166 10.420 1.00 0.00 C ATOM 630 C LYS A 47 2.117 3.076 9.220 1.00 0.00 C ATOM 631 O LYS A 47 2.212 2.643 8.073 1.00 0.00 O ATOM 632 CB LYS A 47 3.829 2.223 10.924 1.00 0.00 C ATOM 633 CG LYS A 47 3.963 3.204 12.091 1.00 0.00 C ATOM 634 CD LYS A 47 5.190 4.101 11.915 1.00 0.00 C ATOM 635 CE LYS A 47 5.354 5.046 13.107 1.00 0.00 C ATOM 636 NZ LYS A 47 6.445 4.580 13.991 1.00 0.00 N ATOM 0 H LYS A 47 2.159 0.555 9.098 1.00 0.00 H new ATOM 0 HA LYS A 47 1.771 2.532 11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.147 1.230 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.490 2.526 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.065 3.819 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.043 2.652 13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.083 3.485 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.092 4.681 10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.570 6.054 12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.421 5.099 13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.543 5.232 14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.223 3.627 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.337 4.552 13.457 1.00 0.00 H new ATOM 650 N ILE A 48 1.787 4.323 9.526 1.00 0.00 N ATOM 651 CA ILE A 48 1.504 5.298 8.487 1.00 0.00 C ATOM 652 C ILE A 48 1.784 6.704 9.024 1.00 0.00 C ATOM 653 O ILE A 48 1.124 7.158 9.958 1.00 0.00 O ATOM 654 CB ILE A 48 0.082 5.116 7.954 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.014 3.877 7.060 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.402 6.378 7.237 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.351 3.838 6.318 1.00 0.00 C ATOM 0 H ILE A 48 1.709 4.680 10.478 1.00 0.00 H new ATOM 0 HA ILE A 48 2.162 5.145 7.632 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.582 4.954 8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.805 3.879 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.096 2.978 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.416 6.221 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.395 7.217 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.259 6.596 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.393 2.948 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.167 3.812 7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.447 4.727 5.694 1.00 0.00 H new ATOM 669 N VAL A 49 2.762 7.353 8.410 1.00 0.00 N ATOM 670 CA VAL A 49 3.137 8.697 8.814 1.00 0.00 C ATOM 671 C VAL A 49 2.033 9.675 8.406 1.00 0.00 C ATOM 672 O VAL A 49 1.342 9.456 7.412 1.00 0.00 O ATOM 673 CB VAL A 49 4.503 9.058 8.227 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.459 7.866 8.288 1.00 0.00 C ATOM 675 CG2 VAL A 49 4.364 9.576 6.794 1.00 0.00 C ATOM 0 H VAL A 49 3.306 6.973 7.636 1.00 0.00 H new ATOM 0 HA VAL A 49 3.238 8.756 9.898 1.00 0.00 H new ATOM 0 HB VAL A 49 4.927 9.858 8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.422 8.150 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.595 7.561 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.042 7.036 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.349 9.825 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.909 8.806 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.735 10.466 6.788 1.00 0.00 H new ATOM 685 N ASP A 50 1.901 10.732 9.193 1.00 0.00 N ATOM 686 CA ASP A 50 0.893 11.743 8.926 1.00 0.00 C ATOM 687 C ASP A 50 1.354 12.621 7.761 1.00 0.00 C ATOM 688 O ASP A 50 1.074 12.318 6.602 1.00 0.00 O ATOM 689 CB ASP A 50 0.682 12.646 10.143 1.00 0.00 C ATOM 690 CG ASP A 50 -0.441 12.209 11.085 1.00 0.00 C ATOM 691 OD1 ASP A 50 -0.226 11.206 11.799 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.491 12.888 11.070 1.00 0.00 O ATOM 0 H ASP A 50 2.476 10.910 10.016 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.041 11.233 8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.613 12.692 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.471 13.657 9.794 1.00 0.00 H new ATOM 697 N SER A 51 2.053 13.691 8.108 1.00 0.00 N ATOM 698 CA SER A 51 2.556 14.615 7.105 1.00 0.00 C ATOM 699 C SER A 51 2.737 13.890 5.770 1.00 0.00 C ATOM 700 O SER A 51 2.274 14.365 4.734 1.00 0.00 O ATOM 701 CB SER A 51 3.876 15.246 7.550 1.00 0.00 C ATOM 702 OG SER A 51 3.811 16.670 7.563 1.00 0.00 O ATOM 0 H SER A 51 2.283 13.939 9.070 1.00 0.00 H new ATOM 0 HA SER A 51 1.826 15.415 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.132 14.886 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.674 14.926 6.881 1.00 0.00 H new ATOM 0 HG SER A 51 4.673 17.034 7.854 1.00 0.00 H new ATOM 708 N GLY A 52 3.412 12.752 5.838 1.00 0.00 N ATOM 709 CA GLY A 52 3.660 11.957 4.647 1.00 0.00 C ATOM 710 C GLY A 52 2.509 12.092 3.648 1.00 0.00 C ATOM 711 O GLY A 52 1.356 12.256 4.043 1.00 0.00 O ATOM 0 H GLY A 52 3.795 12.361 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.591 12.277 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.785 10.910 4.924 1.00 0.00 H new ATOM 715 N PRO A 53 2.872 12.016 2.340 1.00 0.00 N ATOM 716 CA PRO A 53 1.883 12.128 1.281 1.00 0.00 C ATOM 717 C PRO A 53 1.059 10.844 1.163 1.00 0.00 C ATOM 718 O PRO A 53 0.075 10.800 0.426 1.00 0.00 O ATOM 719 CB PRO A 53 2.684 12.437 0.026 1.00 0.00 C ATOM 720 CG PRO A 53 4.115 12.029 0.334 1.00 0.00 C ATOM 721 CD PRO A 53 4.229 11.822 1.836 1.00 0.00 C ATOM 0 HA PRO A 53 1.149 12.911 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.296 11.885 -0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.625 13.496 -0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.374 11.113 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.811 12.799 0.001 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.600 10.825 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.923 12.534 2.283 1.00 0.00 H new ATOM 729 N ALA A 54 1.491 9.832 1.900 1.00 0.00 N ATOM 730 CA ALA A 54 0.806 8.551 1.887 1.00 0.00 C ATOM 731 C ALA A 54 -0.435 8.632 2.779 1.00 0.00 C ATOM 732 O ALA A 54 -1.431 7.956 2.527 1.00 0.00 O ATOM 733 CB ALA A 54 1.771 7.450 2.331 1.00 0.00 C ATOM 0 H ALA A 54 2.307 9.873 2.510 1.00 0.00 H new ATOM 0 HA ALA A 54 0.473 8.305 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.256 6.489 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.620 7.414 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.125 7.661 3.340 1.00 0.00 H new ATOM 739 N ALA A 55 -0.334 9.465 3.805 1.00 0.00 N ATOM 740 CA ALA A 55 -1.435 9.644 4.735 1.00 0.00 C ATOM 741 C ALA A 55 -2.273 10.848 4.302 1.00 0.00 C ATOM 742 O ALA A 55 -3.490 10.859 4.482 1.00 0.00 O ATOM 743 CB ALA A 55 -0.884 9.797 6.155 1.00 0.00 C ATOM 0 H ALA A 55 0.494 10.023 4.012 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.087 8.770 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.710 9.931 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.322 8.903 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.227 10.666 6.199 1.00 0.00 H new ATOM 749 N LYS A 56 -1.589 11.833 3.739 1.00 0.00 N ATOM 750 CA LYS A 56 -2.255 13.040 3.279 1.00 0.00 C ATOM 751 C LYS A 56 -3.274 12.674 2.199 1.00 0.00 C ATOM 752 O LYS A 56 -4.458 12.506 2.488 1.00 0.00 O ATOM 753 CB LYS A 56 -1.228 14.080 2.828 1.00 0.00 C ATOM 754 CG LYS A 56 -0.931 15.079 3.948 1.00 0.00 C ATOM 755 CD LYS A 56 -2.054 16.111 4.074 1.00 0.00 C ATOM 756 CE LYS A 56 -1.647 17.254 5.006 1.00 0.00 C ATOM 757 NZ LYS A 56 -2.816 18.103 5.326 1.00 0.00 N ATOM 0 H LYS A 56 -0.580 11.820 3.591 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.808 13.505 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.307 13.580 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.603 14.610 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.813 14.548 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.013 15.586 3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.298 16.510 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.954 15.629 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.222 16.849 5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.871 17.857 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.522 18.874 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.204 18.505 4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.545 17.528 5.795 1.00 0.00 H new ATOM 771 N GLU A 57 -2.778 12.560 0.976 1.00 0.00 N ATOM 772 CA GLU A 57 -3.631 12.217 -0.150 1.00 0.00 C ATOM 773 C GLU A 57 -3.457 10.742 -0.517 1.00 0.00 C ATOM 774 O GLU A 57 -4.302 10.165 -1.199 1.00 0.00 O ATOM 775 CB GLU A 57 -3.343 13.119 -1.351 1.00 0.00 C ATOM 776 CG GLU A 57 -3.788 14.557 -1.077 1.00 0.00 C ATOM 777 CD GLU A 57 -3.413 15.478 -2.240 1.00 0.00 C ATOM 778 OE1 GLU A 57 -4.196 15.510 -3.213 1.00 0.00 O ATOM 779 OE2 GLU A 57 -2.352 16.129 -2.128 1.00 0.00 O ATOM 0 H GLU A 57 -1.796 12.699 0.740 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.669 12.379 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.277 13.101 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.861 12.736 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.866 14.584 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.323 14.917 -0.159 1.00 0.00 H new ATOM 786 N GLY A 58 -2.355 10.174 -0.048 1.00 0.00 N ATOM 787 CA GLY A 58 -2.060 8.778 -0.319 1.00 0.00 C ATOM 788 C GLY A 58 -3.344 7.949 -0.389 1.00 0.00 C ATOM 789 O GLY A 58 -3.694 7.427 -1.446 1.00 0.00 O ATOM 0 H GLY A 58 -1.656 10.656 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.517 8.694 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.410 8.382 0.461 1.00 0.00 H new ATOM 793 N GLY A 59 -4.012 7.854 0.752 1.00 0.00 N ATOM 794 CA GLY A 59 -5.250 7.098 0.833 1.00 0.00 C ATOM 795 C GLY A 59 -5.053 5.809 1.634 1.00 0.00 C ATOM 796 O GLY A 59 -6.023 5.136 1.982 1.00 0.00 O ATOM 0 H GLY A 59 -3.719 8.288 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.023 7.707 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.600 6.857 -0.171 1.00 0.00 H new ATOM 800 N LEU A 60 -3.792 5.504 1.903 1.00 0.00 N ATOM 801 CA LEU A 60 -3.456 4.308 2.656 1.00 0.00 C ATOM 802 C LEU A 60 -4.063 4.405 4.057 1.00 0.00 C ATOM 803 O LEU A 60 -4.544 5.464 4.457 1.00 0.00 O ATOM 804 CB LEU A 60 -1.943 4.081 2.655 1.00 0.00 C ATOM 805 CG LEU A 60 -1.480 2.642 2.890 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.362 1.651 2.127 1.00 0.00 C ATOM 807 CD2 LEU A 60 0.000 2.479 2.540 1.00 0.00 C ATOM 0 H LEU A 60 -2.991 6.065 1.613 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.887 3.426 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.546 4.417 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.500 4.714 3.424 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.587 2.417 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.012 0.635 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.394 1.746 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.310 1.865 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.304 1.447 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.155 2.729 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.597 3.144 3.164 1.00 0.00 H new ATOM 819 N GLN A 61 -4.020 3.286 4.765 1.00 0.00 N ATOM 820 CA GLN A 61 -4.559 3.232 6.113 1.00 0.00 C ATOM 821 C GLN A 61 -4.043 1.990 6.842 1.00 0.00 C ATOM 822 O GLN A 61 -4.138 0.878 6.324 1.00 0.00 O ATOM 823 CB GLN A 61 -6.088 3.261 6.094 1.00 0.00 C ATOM 824 CG GLN A 61 -6.635 4.118 7.237 1.00 0.00 C ATOM 825 CD GLN A 61 -7.874 3.473 7.862 1.00 0.00 C ATOM 826 OE1 GLN A 61 -7.930 3.198 9.050 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.860 3.246 6.999 1.00 0.00 N ATOM 0 H GLN A 61 -3.620 2.409 4.430 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.219 4.115 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.436 3.657 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.475 2.246 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.866 4.249 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.887 5.111 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.748 3.501 6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.729 2.817 7.318 1.00 0.00 H new ATOM 836 N ILE A 62 -3.509 2.220 8.032 1.00 0.00 N ATOM 837 CA ILE A 62 -2.978 1.133 8.837 1.00 0.00 C ATOM 838 C ILE A 62 -3.897 -0.084 8.712 1.00 0.00 C ATOM 839 O ILE A 62 -5.079 0.056 8.404 1.00 0.00 O ATOM 840 CB ILE A 62 -2.758 1.592 10.280 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.961 2.897 10.324 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.101 0.490 11.112 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.108 2.976 11.593 1.00 0.00 C ATOM 0 H ILE A 62 -3.432 3.143 8.459 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.997 0.832 8.470 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.732 1.794 10.727 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.320 2.965 9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.644 3.746 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.956 0.843 12.133 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.742 -0.391 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.136 0.232 10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.551 3.913 11.600 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.755 2.932 12.469 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.410 2.139 11.615 1.00 0.00 H new ATOM 855 N HIS A 63 -3.318 -1.250 8.959 1.00 0.00 N ATOM 856 CA HIS A 63 -4.070 -2.491 8.878 1.00 0.00 C ATOM 857 C HIS A 63 -4.673 -2.635 7.479 1.00 0.00 C ATOM 858 O HIS A 63 -5.870 -2.882 7.337 1.00 0.00 O ATOM 859 CB HIS A 63 -5.122 -2.562 9.987 1.00 0.00 C ATOM 860 CG HIS A 63 -4.609 -2.153 11.347 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.419 -2.405 11.963 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -5.355 -1.395 12.233 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.436 -1.831 13.160 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -4.636 -1.204 13.329 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.337 -1.362 9.215 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.401 -3.337 9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.962 -1.921 9.719 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.505 -3.581 10.046 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.354 -1.022 12.060 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.632 -1.856 13.881 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.928 -0.680 14.154 1.00 0.00 H new ATOM 872 N ASP A 64 -3.816 -2.476 6.481 1.00 0.00 N ATOM 873 CA ASP A 64 -4.249 -2.586 5.099 1.00 0.00 C ATOM 874 C ASP A 64 -3.255 -3.455 4.325 1.00 0.00 C ATOM 875 O ASP A 64 -2.077 -3.115 4.222 1.00 0.00 O ATOM 876 CB ASP A 64 -4.298 -1.212 4.426 1.00 0.00 C ATOM 877 CG ASP A 64 -5.618 -0.457 4.596 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.550 -1.064 5.167 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.665 0.710 4.151 1.00 0.00 O ATOM 0 H ASP A 64 -2.824 -2.272 6.602 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.246 -3.027 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.491 -0.598 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.103 -1.338 3.361 1.00 0.00 H new ATOM 884 N ARG A 65 -3.766 -4.559 3.802 1.00 0.00 N ATOM 885 CA ARG A 65 -2.938 -5.480 3.041 1.00 0.00 C ATOM 886 C ARG A 65 -2.817 -5.009 1.590 1.00 0.00 C ATOM 887 O ARG A 65 -3.812 -4.946 0.869 1.00 0.00 O ATOM 888 CB ARG A 65 -3.522 -6.894 3.064 1.00 0.00 C ATOM 889 CG ARG A 65 -2.513 -7.912 2.529 1.00 0.00 C ATOM 890 CD ARG A 65 -3.196 -9.244 2.208 1.00 0.00 C ATOM 891 NE ARG A 65 -2.182 -10.257 1.842 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.474 -11.497 1.427 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.753 -11.884 1.322 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.489 -12.350 1.116 1.00 0.00 N ATOM 0 H ARG A 65 -4.743 -4.837 3.890 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.952 -5.499 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.805 -7.158 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.430 -6.926 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.035 -7.519 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.726 -8.071 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.769 -9.586 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.902 -9.112 1.388 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.199 -9.995 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.503 -11.235 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.976 -12.828 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.516 -12.056 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.712 -13.294 0.800 1.00 0.00 H new ATOM 908 N ILE A 66 -1.590 -4.691 1.205 1.00 0.00 N ATOM 909 CA ILE A 66 -1.326 -4.229 -0.147 1.00 0.00 C ATOM 910 C ILE A 66 -1.506 -5.392 -1.124 1.00 0.00 C ATOM 911 O ILE A 66 -1.050 -6.504 -0.861 1.00 0.00 O ATOM 912 CB ILE A 66 0.051 -3.566 -0.227 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.394 -2.854 1.083 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.137 -2.624 -1.430 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.430 -1.752 0.854 1.00 0.00 C ATOM 0 H ILE A 66 -0.767 -4.744 1.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.043 -3.459 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 66 0.797 -4.347 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.510 -2.424 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.779 -3.576 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.126 -2.166 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.033 -3.188 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.621 -1.846 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.656 -1.262 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.341 -2.189 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.032 -1.019 0.152 1.00 0.00 H new ATOM 927 N ILE A 67 -2.171 -5.096 -2.231 1.00 0.00 N ATOM 928 CA ILE A 67 -2.417 -6.104 -3.248 1.00 0.00 C ATOM 929 C ILE A 67 -1.479 -5.866 -4.433 1.00 0.00 C ATOM 930 O ILE A 67 -0.828 -6.794 -4.911 1.00 0.00 O ATOM 931 CB ILE A 67 -3.898 -6.128 -3.632 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.770 -5.612 -2.485 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.323 -7.525 -4.091 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.721 -6.563 -1.288 1.00 0.00 C ATOM 0 H ILE A 67 -2.547 -4.173 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.196 -7.098 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.043 -5.454 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.429 -4.622 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.800 -5.504 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.380 -7.514 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.732 -7.818 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.160 -8.239 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.349 -6.173 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.085 -7.545 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.694 -6.650 -0.934 1.00 0.00 H new ATOM 946 N GLU A 68 -1.439 -4.616 -4.873 1.00 0.00 N ATOM 947 CA GLU A 68 -0.591 -4.244 -5.993 1.00 0.00 C ATOM 948 C GLU A 68 -0.022 -2.840 -5.784 1.00 0.00 C ATOM 949 O GLU A 68 -0.638 -2.009 -5.117 1.00 0.00 O ATOM 950 CB GLU A 68 -1.357 -4.334 -7.314 1.00 0.00 C ATOM 951 CG GLU A 68 -0.598 -5.189 -8.331 1.00 0.00 C ATOM 952 CD GLU A 68 -1.379 -6.460 -8.671 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.440 -7.342 -7.788 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.899 -6.520 -9.807 1.00 0.00 O ATOM 0 H GLU A 68 -1.980 -3.849 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 68 0.240 -4.948 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.344 -4.762 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.511 -3.333 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.424 -4.611 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.380 -5.455 -7.930 1.00 0.00 H new ATOM 961 N VAL A 69 1.148 -2.617 -6.365 1.00 0.00 N ATOM 962 CA VAL A 69 1.807 -1.327 -6.251 1.00 0.00 C ATOM 963 C VAL A 69 2.452 -0.969 -7.591 1.00 0.00 C ATOM 964 O VAL A 69 3.350 -1.666 -8.059 1.00 0.00 O ATOM 965 CB VAL A 69 2.808 -1.352 -5.094 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.223 -1.637 -5.599 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.762 -0.044 -4.302 1.00 0.00 C ATOM 0 H VAL A 69 1.657 -3.308 -6.916 1.00 0.00 H new ATOM 0 HA VAL A 69 1.082 -0.546 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 69 2.523 -2.162 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.914 -1.649 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.243 -2.605 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.522 -0.860 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.483 -0.088 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.009 0.789 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.761 0.100 -3.895 1.00 0.00 H new ATOM 977 N ASN A 70 1.967 0.119 -8.172 1.00 0.00 N ATOM 978 CA ASN A 70 2.485 0.579 -9.450 1.00 0.00 C ATOM 979 C ASN A 70 2.344 -0.539 -10.485 1.00 0.00 C ATOM 980 O ASN A 70 3.024 -0.529 -11.510 1.00 0.00 O ATOM 981 CB ASN A 70 3.968 0.942 -9.345 1.00 0.00 C ATOM 982 CG ASN A 70 4.357 1.970 -10.409 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.450 3.215 -9.951 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.560 1.653 -11.570 1.00 0.00 N flip ATOM 0 H ASN A 70 1.221 0.695 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 70 1.918 1.462 -9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.179 1.342 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.575 0.044 -9.462 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.471 0.678 -11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.818 2.363 -12.255 1.00 0.00 H new ATOM 991 N GLY A 71 1.458 -1.475 -10.180 1.00 0.00 N ATOM 992 CA GLY A 71 1.219 -2.598 -11.071 1.00 0.00 C ATOM 993 C GLY A 71 1.996 -3.834 -10.615 1.00 0.00 C ATOM 994 O GLY A 71 1.911 -4.891 -11.240 1.00 0.00 O ATOM 0 H GLY A 71 0.897 -1.479 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.153 -2.824 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.515 -2.331 -12.086 1.00 0.00 H new ATOM 998 N ARG A 72 2.735 -3.662 -9.529 1.00 0.00 N ATOM 999 CA ARG A 72 3.526 -4.752 -8.982 1.00 0.00 C ATOM 1000 C ARG A 72 2.771 -5.434 -7.840 1.00 0.00 C ATOM 1001 O ARG A 72 2.348 -4.777 -6.890 1.00 0.00 O ATOM 1002 CB ARG A 72 4.874 -4.247 -8.464 1.00 0.00 C ATOM 1003 CG ARG A 72 5.610 -5.343 -7.690 1.00 0.00 C ATOM 1004 CD ARG A 72 6.905 -5.740 -8.401 1.00 0.00 C ATOM 1005 NE ARG A 72 6.921 -7.199 -8.646 1.00 0.00 N ATOM 1006 CZ ARG A 72 7.840 -7.825 -9.394 1.00 0.00 C ATOM 1007 NH1 ARG A 72 8.823 -7.123 -9.975 1.00 0.00 N ATOM 1008 NH2 ARG A 72 7.776 -9.153 -9.562 1.00 0.00 N ATOM 0 H ARG A 72 2.803 -2.785 -9.013 1.00 0.00 H new ATOM 0 HA ARG A 72 3.703 -5.469 -9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.487 -3.914 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.719 -3.383 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.836 -4.993 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.965 -6.216 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.990 -5.203 -9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.765 -5.455 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 72 6.187 -7.764 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.872 -6.112 -9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.522 -7.600 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.028 -9.687 -9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.476 -9.629 -10.131 1.00 0.00 H new ATOM 1022 N ASP A 73 2.625 -6.745 -7.970 1.00 0.00 N ATOM 1023 CA ASP A 73 1.928 -7.524 -6.960 1.00 0.00 C ATOM 1024 C ASP A 73 2.826 -7.676 -5.731 1.00 0.00 C ATOM 1025 O ASP A 73 3.999 -8.028 -5.853 1.00 0.00 O ATOM 1026 CB ASP A 73 1.595 -8.924 -7.478 1.00 0.00 C ATOM 1027 CG ASP A 73 1.338 -9.971 -6.392 1.00 0.00 C ATOM 1028 OD1 ASP A 73 2.314 -10.309 -5.688 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.172 -10.410 -6.292 1.00 0.00 O ATOM 0 H ASP A 73 2.977 -7.287 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 73 1.004 -7.003 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.713 -8.859 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.417 -9.268 -8.106 1.00 0.00 H new ATOM 1034 N LEU A 74 2.242 -7.404 -4.573 1.00 0.00 N ATOM 1035 CA LEU A 74 2.974 -7.506 -3.322 1.00 0.00 C ATOM 1036 C LEU A 74 2.237 -8.461 -2.382 1.00 0.00 C ATOM 1037 O LEU A 74 2.675 -8.690 -1.255 1.00 0.00 O ATOM 1038 CB LEU A 74 3.212 -6.117 -2.726 1.00 0.00 C ATOM 1039 CG LEU A 74 3.778 -5.065 -3.681 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.035 -3.745 -2.952 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.032 -5.583 -4.388 1.00 0.00 C ATOM 0 H LEU A 74 1.269 -7.113 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 74 3.964 -7.928 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.267 -5.747 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.895 -6.218 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 74 3.033 -4.868 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.437 -3.014 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.100 -3.371 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.752 -3.908 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.414 -4.815 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.793 -5.827 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.784 -6.477 -4.961 1.00 0.00 H new ATOM 1053 N SER A 75 1.131 -8.994 -2.879 1.00 0.00 N ATOM 1054 CA SER A 75 0.329 -9.920 -2.097 1.00 0.00 C ATOM 1055 C SER A 75 1.163 -11.146 -1.720 1.00 0.00 C ATOM 1056 O SER A 75 1.048 -11.663 -0.610 1.00 0.00 O ATOM 1057 CB SER A 75 -0.925 -10.346 -2.863 1.00 0.00 C ATOM 1058 OG SER A 75 -1.566 -11.465 -2.257 1.00 0.00 O ATOM 0 H SER A 75 0.771 -8.802 -3.814 1.00 0.00 H new ATOM 0 HA SER A 75 0.010 -9.412 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.623 -9.510 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.656 -10.594 -3.890 1.00 0.00 H new ATOM 0 HG SER A 75 -2.363 -11.705 -2.774 1.00 0.00 H new ATOM 1064 N ARG A 76 1.985 -11.576 -2.667 1.00 0.00 N ATOM 1065 CA ARG A 76 2.838 -12.732 -2.448 1.00 0.00 C ATOM 1066 C ARG A 76 4.308 -12.308 -2.415 1.00 0.00 C ATOM 1067 O ARG A 76 5.199 -13.126 -2.639 1.00 0.00 O ATOM 1068 CB ARG A 76 2.641 -13.777 -3.548 1.00 0.00 C ATOM 1069 CG ARG A 76 3.154 -13.261 -4.894 1.00 0.00 C ATOM 1070 CD ARG A 76 4.085 -14.281 -5.553 1.00 0.00 C ATOM 1071 NE ARG A 76 3.388 -14.953 -6.673 1.00 0.00 N ATOM 1072 CZ ARG A 76 4.009 -15.653 -7.632 1.00 0.00 C ATOM 1073 NH1 ARG A 76 5.343 -15.777 -7.613 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.296 -16.229 -8.609 1.00 0.00 N ATOM 0 H ARG A 76 2.078 -11.145 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 76 2.561 -13.172 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.167 -14.694 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.584 -14.029 -3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.311 -13.053 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.684 -12.320 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.983 -13.783 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.407 -15.019 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 76 2.372 -14.878 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.885 -15.339 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.816 -16.310 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.280 -16.135 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.769 -16.762 -9.339 1.00 0.00 H new ATOM 1088 N ALA A 77 4.515 -11.030 -2.133 1.00 0.00 N ATOM 1089 CA ALA A 77 5.862 -10.487 -2.068 1.00 0.00 C ATOM 1090 C ALA A 77 6.274 -10.333 -0.602 1.00 0.00 C ATOM 1091 O ALA A 77 5.440 -10.442 0.295 1.00 0.00 O ATOM 1092 CB ALA A 77 5.917 -9.163 -2.831 1.00 0.00 C ATOM 0 H ALA A 77 3.773 -10.355 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 77 6.572 -11.165 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.927 -8.756 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.644 -9.332 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.219 -8.456 -2.383 1.00 0.00 H new ATOM 1098 N THR A 78 7.560 -10.082 -0.406 1.00 0.00 N ATOM 1099 CA THR A 78 8.093 -9.911 0.935 1.00 0.00 C ATOM 1100 C THR A 78 8.326 -8.428 1.232 1.00 0.00 C ATOM 1101 O THR A 78 8.129 -7.580 0.364 1.00 0.00 O ATOM 1102 CB THR A 78 9.360 -10.761 1.052 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.812 -10.528 2.383 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.498 -10.238 0.174 1.00 0.00 C ATOM 0 H THR A 78 8.248 -9.993 -1.153 1.00 0.00 H new ATOM 0 HA THR A 78 7.384 -10.253 1.689 1.00 0.00 H new ATOM 0 HB THR A 78 9.134 -11.791 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.630 -11.043 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.373 -10.877 0.294 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.185 -10.245 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.748 -9.220 0.471 1.00 0.00 H new ATOM 1112 N HIS A 79 8.741 -8.162 2.461 1.00 0.00 N ATOM 1113 CA HIS A 79 9.003 -6.797 2.884 1.00 0.00 C ATOM 1114 C HIS A 79 10.094 -6.187 2.000 1.00 0.00 C ATOM 1115 O HIS A 79 10.027 -5.010 1.650 1.00 0.00 O ATOM 1116 CB HIS A 79 9.349 -6.745 4.373 1.00 0.00 C ATOM 1117 CG HIS A 79 9.497 -5.346 4.921 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.566 -4.477 5.407 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.718 -4.701 5.010 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.184 -3.361 5.774 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.519 -3.498 5.528 1.00 0.00 N flip ATOM 0 H HIS A 79 8.903 -8.869 3.178 1.00 0.00 H new ATOM 0 HA HIS A 79 8.103 -6.195 2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.572 -7.264 4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.279 -7.289 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.671 -5.109 4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.709 -2.489 6.197 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.237 -2.797 5.711 1.00 0.00 H new ATOM 1129 N ASP A 80 11.072 -7.015 1.666 1.00 0.00 N ATOM 1130 CA ASP A 80 12.175 -6.572 0.831 1.00 0.00 C ATOM 1131 C ASP A 80 11.639 -6.175 -0.546 1.00 0.00 C ATOM 1132 O ASP A 80 11.911 -5.077 -1.029 1.00 0.00 O ATOM 1133 CB ASP A 80 13.201 -7.690 0.634 1.00 0.00 C ATOM 1134 CG ASP A 80 14.583 -7.412 1.226 1.00 0.00 C ATOM 1135 OD1 ASP A 80 15.068 -6.277 1.027 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.125 -8.340 1.865 1.00 0.00 O ATOM 0 H ASP A 80 11.124 -7.991 1.959 1.00 0.00 H new ATOM 0 HA ASP A 80 12.653 -5.727 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.809 -8.605 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.311 -7.877 -0.434 1.00 0.00 H new ATOM 1141 N GLN A 81 10.886 -7.089 -1.139 1.00 0.00 N ATOM 1142 CA GLN A 81 10.309 -6.848 -2.451 1.00 0.00 C ATOM 1143 C GLN A 81 9.358 -5.651 -2.400 1.00 0.00 C ATOM 1144 O GLN A 81 9.470 -4.730 -3.207 1.00 0.00 O ATOM 1145 CB GLN A 81 9.593 -8.095 -2.973 1.00 0.00 C ATOM 1146 CG GLN A 81 10.598 -9.133 -3.477 1.00 0.00 C ATOM 1147 CD GLN A 81 10.018 -9.936 -4.644 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.063 -9.529 -5.794 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.473 -11.095 -4.286 1.00 0.00 N ATOM 0 H GLN A 81 10.662 -7.998 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 81 11.117 -6.617 -3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.984 -8.528 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.915 -7.818 -3.780 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.514 -8.634 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.867 -9.808 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.469 -11.375 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.059 -11.704 -4.992 1.00 0.00 H new ATOM 1158 N ALA A 82 8.442 -5.703 -1.443 1.00 0.00 N ATOM 1159 CA ALA A 82 7.472 -4.635 -1.276 1.00 0.00 C ATOM 1160 C ALA A 82 8.202 -3.291 -1.234 1.00 0.00 C ATOM 1161 O ALA A 82 7.892 -2.387 -2.009 1.00 0.00 O ATOM 1162 CB ALA A 82 6.645 -4.888 -0.015 1.00 0.00 C ATOM 0 H ALA A 82 8.352 -6.469 -0.775 1.00 0.00 H new ATOM 0 HA ALA A 82 6.781 -4.609 -2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.917 -4.086 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.123 -5.841 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.304 -4.918 0.853 1.00 0.00 H new ATOM 1168 N VAL A 83 9.159 -3.201 -0.322 1.00 0.00 N ATOM 1169 CA VAL A 83 9.935 -1.983 -0.169 1.00 0.00 C ATOM 1170 C VAL A 83 10.526 -1.586 -1.523 1.00 0.00 C ATOM 1171 O VAL A 83 10.322 -0.467 -1.990 1.00 0.00 O ATOM 1172 CB VAL A 83 10.999 -2.173 0.915 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.031 -1.044 0.874 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.357 -2.279 2.300 1.00 0.00 C ATOM 0 H VAL A 83 9.414 -3.953 0.319 1.00 0.00 H new ATOM 0 HA VAL A 83 9.297 -1.163 0.160 1.00 0.00 H new ATOM 0 HB VAL A 83 11.519 -3.110 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.775 -1.203 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.522 -1.035 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.532 -0.089 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.134 -2.414 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.800 -1.367 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.679 -3.132 2.322 1.00 0.00 H new ATOM 1184 N GLU A 84 11.247 -2.526 -2.116 1.00 0.00 N ATOM 1185 CA GLU A 84 11.869 -2.289 -3.408 1.00 0.00 C ATOM 1186 C GLU A 84 10.836 -1.764 -4.406 1.00 0.00 C ATOM 1187 O GLU A 84 11.114 -0.835 -5.163 1.00 0.00 O ATOM 1188 CB GLU A 84 12.544 -3.558 -3.933 1.00 0.00 C ATOM 1189 CG GLU A 84 13.249 -3.293 -5.265 1.00 0.00 C ATOM 1190 CD GLU A 84 14.527 -4.127 -5.384 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.388 -5.348 -5.609 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.613 -3.523 -5.248 1.00 0.00 O ATOM 0 H GLU A 84 11.414 -3.453 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 84 12.642 -1.531 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.266 -3.920 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.800 -4.344 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.577 -3.531 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.493 -2.234 -5.347 1.00 0.00 H new ATOM 1199 N ALA A 85 9.664 -2.382 -4.376 1.00 0.00 N ATOM 1200 CA ALA A 85 8.588 -1.988 -5.269 1.00 0.00 C ATOM 1201 C ALA A 85 8.293 -0.499 -5.081 1.00 0.00 C ATOM 1202 O ALA A 85 8.293 0.265 -6.046 1.00 0.00 O ATOM 1203 CB ALA A 85 7.360 -2.863 -5.006 1.00 0.00 C ATOM 0 H ALA A 85 9.436 -3.152 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 85 8.879 -2.137 -6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.553 -2.568 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.614 -3.908 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.038 -2.737 -3.972 1.00 0.00 H new ATOM 1209 N PHE A 86 8.049 -0.130 -3.832 1.00 0.00 N ATOM 1210 CA PHE A 86 7.754 1.255 -3.505 1.00 0.00 C ATOM 1211 C PHE A 86 8.967 2.150 -3.765 1.00 0.00 C ATOM 1212 O PHE A 86 8.820 3.349 -3.998 1.00 0.00 O ATOM 1213 CB PHE A 86 7.412 1.300 -2.015 1.00 0.00 C ATOM 1214 CG PHE A 86 5.984 0.857 -1.690 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.936 1.672 -1.987 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.762 -0.350 -1.104 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.611 1.262 -1.686 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.437 -0.760 -0.803 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.389 0.054 -1.100 1.00 0.00 C ATOM 0 H PHE A 86 8.050 -0.766 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 86 6.931 1.616 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.111 0.663 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.558 2.317 -1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.112 2.631 -2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.594 -0.997 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.779 1.909 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.261 -1.719 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.381 -0.258 -0.871 1.00 0.00 H new ATOM 1229 N LYS A 87 10.139 1.534 -3.717 1.00 0.00 N ATOM 1230 CA LYS A 87 11.377 2.260 -3.945 1.00 0.00 C ATOM 1231 C LYS A 87 11.546 2.514 -5.444 1.00 0.00 C ATOM 1232 O LYS A 87 11.809 3.641 -5.861 1.00 0.00 O ATOM 1233 CB LYS A 87 12.556 1.521 -3.309 1.00 0.00 C ATOM 1234 CG LYS A 87 13.886 2.019 -3.879 1.00 0.00 C ATOM 1235 CD LYS A 87 15.068 1.438 -3.100 1.00 0.00 C ATOM 1236 CE LYS A 87 15.328 2.238 -1.822 1.00 0.00 C ATOM 1237 NZ LYS A 87 15.532 3.669 -2.139 1.00 0.00 N ATOM 0 H LYS A 87 10.258 0.540 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 87 11.342 3.235 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.542 1.667 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.458 0.450 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.964 1.737 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.919 3.108 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.865 0.397 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.960 1.446 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.486 2.127 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.207 1.844 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.340 4.033 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.723 3.776 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.677 4.205 -1.889 1.00 0.00 H new ATOM 1251 N THR A 88 11.387 1.447 -6.214 1.00 0.00 N ATOM 1252 CA THR A 88 11.519 1.540 -7.658 1.00 0.00 C ATOM 1253 C THR A 88 10.219 2.054 -8.280 1.00 0.00 C ATOM 1254 O THR A 88 10.183 2.388 -9.464 1.00 0.00 O ATOM 1255 CB THR A 88 11.943 0.167 -8.184 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.937 -0.717 -7.696 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.231 -0.338 -7.531 1.00 0.00 C ATOM 0 H THR A 88 11.168 0.514 -5.865 1.00 0.00 H new ATOM 0 HA THR A 88 12.285 2.262 -7.939 1.00 0.00 H new ATOM 0 HB THR A 88 12.080 0.218 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.202 -1.061 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.487 -1.315 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.041 0.363 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.084 -0.422 -6.454 1.00 0.00 H new ATOM 1265 N ALA A 89 9.184 2.103 -7.455 1.00 0.00 N ATOM 1266 CA ALA A 89 7.886 2.571 -7.909 1.00 0.00 C ATOM 1267 C ALA A 89 7.999 4.033 -8.345 1.00 0.00 C ATOM 1268 O ALA A 89 8.863 4.763 -7.861 1.00 0.00 O ATOM 1269 CB ALA A 89 6.854 2.372 -6.797 1.00 0.00 C ATOM 0 H ALA A 89 9.218 1.826 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 89 7.551 1.995 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.880 2.723 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.790 1.313 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.156 2.937 -5.915 1.00 0.00 H new ATOM 1275 N LYS A 90 7.115 4.416 -9.254 1.00 0.00 N ATOM 1276 CA LYS A 90 7.105 5.778 -9.761 1.00 0.00 C ATOM 1277 C LYS A 90 5.715 6.384 -9.557 1.00 0.00 C ATOM 1278 O LYS A 90 4.715 5.668 -9.566 1.00 0.00 O ATOM 1279 CB LYS A 90 7.584 5.812 -11.214 1.00 0.00 C ATOM 1280 CG LYS A 90 9.097 6.027 -11.288 1.00 0.00 C ATOM 1281 CD LYS A 90 9.479 7.418 -10.780 1.00 0.00 C ATOM 1282 CE LYS A 90 9.906 8.326 -11.936 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.351 8.631 -11.848 1.00 0.00 N ATOM 0 H LYS A 90 6.400 3.807 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 90 7.808 6.397 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.321 4.877 -11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.073 6.611 -11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.605 5.267 -10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.435 5.906 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.633 7.863 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.292 7.335 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.688 7.841 -12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.331 9.251 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.624 9.248 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.550 9.113 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.896 7.746 -11.894 1.00 0.00 H new ATOM 1297 N GLU A 91 5.698 7.696 -9.377 1.00 0.00 N ATOM 1298 CA GLU A 91 4.447 8.406 -9.170 1.00 0.00 C ATOM 1299 C GLU A 91 3.838 8.811 -10.514 1.00 0.00 C ATOM 1300 O GLU A 91 4.561 9.153 -11.449 1.00 0.00 O ATOM 1301 CB GLU A 91 4.651 9.627 -8.271 1.00 0.00 C ATOM 1302 CG GLU A 91 5.514 9.276 -7.057 1.00 0.00 C ATOM 1303 CD GLU A 91 6.984 9.616 -7.312 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.615 8.861 -8.082 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.442 10.623 -6.730 1.00 0.00 O ATOM 0 H GLU A 91 6.530 8.286 -9.370 1.00 0.00 H new ATOM 0 HA GLU A 91 3.751 7.736 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.125 10.427 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.684 10.003 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.157 9.821 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.416 8.214 -6.832 1.00 0.00 H new ATOM 1312 N PRO A 92 2.480 8.757 -10.570 1.00 0.00 N ATOM 1313 CA PRO A 92 1.700 8.341 -9.417 1.00 0.00 C ATOM 1314 C PRO A 92 1.786 6.826 -9.215 1.00 0.00 C ATOM 1315 O PRO A 92 1.628 6.059 -10.163 1.00 0.00 O ATOM 1316 CB PRO A 92 0.287 8.822 -9.704 1.00 0.00 C ATOM 1317 CG PRO A 92 0.229 9.075 -11.202 1.00 0.00 C ATOM 1318 CD PRO A 92 1.655 9.090 -11.728 1.00 0.00 C ATOM 0 HA PRO A 92 2.069 8.766 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.448 8.075 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.063 9.731 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.353 8.298 -11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.265 10.024 -11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.789 8.365 -12.531 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.917 10.067 -12.134 1.00 0.00 H new ATOM 1326 N ILE A 93 2.038 6.441 -7.972 1.00 0.00 N ATOM 1327 CA ILE A 93 2.148 5.033 -7.633 1.00 0.00 C ATOM 1328 C ILE A 93 0.753 4.472 -7.347 1.00 0.00 C ATOM 1329 O ILE A 93 0.127 4.833 -6.352 1.00 0.00 O ATOM 1330 CB ILE A 93 3.138 4.834 -6.484 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.502 5.436 -6.825 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.243 3.357 -6.100 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.279 5.791 -5.556 1.00 0.00 C ATOM 0 H ILE A 93 2.169 7.080 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 93 2.553 4.469 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 93 2.760 5.367 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.077 4.728 -7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.367 6.330 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.953 3.244 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.265 2.992 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.586 2.781 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.245 6.217 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.713 6.518 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.434 4.891 -4.961 1.00 0.00 H new ATOM 1345 N VAL A 94 0.308 3.597 -8.238 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.001 2.983 -8.093 1.00 0.00 C ATOM 1347 C VAL A 94 -0.902 1.807 -7.120 1.00 0.00 C ATOM 1348 O VAL A 94 -0.304 0.780 -7.439 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.543 2.579 -9.466 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -2.970 2.039 -9.354 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.475 3.750 -10.448 1.00 0.00 C ATOM 0 H VAL A 94 0.830 3.299 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.713 3.694 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.912 1.780 -9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.332 1.759 -10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.978 1.164 -8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.618 2.808 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.866 3.436 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.071 4.579 -10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.439 4.070 -10.562 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.499 1.995 -5.952 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.487 0.963 -4.930 1.00 0.00 C ATOM 1363 C VAL A 95 -2.922 0.522 -4.639 1.00 0.00 C ATOM 1364 O VAL A 95 -3.858 1.306 -4.786 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.752 1.467 -3.686 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.131 0.370 -3.088 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.067 2.720 -4.003 1.00 0.00 C ATOM 0 H VAL A 95 -1.994 2.848 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.943 0.086 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.501 1.736 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.642 0.755 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.488 -0.482 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.869 0.055 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.579 3.057 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.802 2.489 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.597 3.508 -4.360 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.051 -0.732 -4.230 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.357 -1.287 -3.917 1.00 0.00 C ATOM 1379 C GLN A 96 -4.298 -2.076 -2.608 1.00 0.00 C ATOM 1380 O GLN A 96 -3.314 -2.761 -2.335 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.869 -2.163 -5.062 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.136 -2.917 -4.652 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.213 -2.808 -5.732 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -7.950 -1.839 -5.816 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.264 -3.854 -6.552 1.00 0.00 N ATOM 0 H GLN A 96 -2.272 -1.379 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.060 -0.463 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.077 -1.543 -5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.096 -2.875 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.898 -3.966 -4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.515 -2.514 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.617 -4.633 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.950 -3.877 -7.307 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.365 -1.953 -1.832 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.448 -2.646 -0.558 1.00 0.00 C ATOM 1396 C VAL A 97 -6.742 -3.460 -0.507 1.00 0.00 C ATOM 1397 O VAL A 97 -7.640 -3.257 -1.324 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.327 -1.644 0.592 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.942 -0.994 0.609 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.428 -0.585 0.514 1.00 0.00 C ATOM 0 H VAL A 97 -6.179 -1.383 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.619 -3.346 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.453 -2.190 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.882 -0.286 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.180 -1.764 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.775 -0.468 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.319 0.115 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.348 -0.045 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.403 -1.069 0.573 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.798 -4.365 0.459 1.00 0.00 N ATOM 1411 CA LEU A 98 -7.968 -5.210 0.627 1.00 0.00 C ATOM 1412 C LEU A 98 -8.654 -4.868 1.951 1.00 0.00 C ATOM 1413 O LEU A 98 -8.059 -5.014 3.018 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.586 -6.686 0.495 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.728 -7.293 -0.902 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.203 -8.730 -0.931 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.173 -7.200 -1.396 1.00 0.00 C ATOM 0 H LEU A 98 -6.051 -4.532 1.134 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.692 -5.020 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.551 -6.803 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.202 -7.263 1.185 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.115 -6.712 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.316 -9.138 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.149 -8.738 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.770 -9.339 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.246 -7.639 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.827 -7.741 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.477 -6.154 -1.437 1.00 0.00 H new