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 53:sc= -0.189! USER MOD Set 1.2: A 96 GLN : amide:sc= -0.552 K(o=-0.74,f=-8.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.259 X(o=-0.26,f=-0.61) USER MOD Single : A 24 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 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= -2.23! C(o=-3.1!,f=-2.2!) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.0692 F(o=-1.2,f=0.069) USER MOD Single : A 75 SER OG : rot -92:sc= 1.07 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 79 HIS : no HE2:sc= -3.91 X(o=-3.9,f=-3.4!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -79:sc= 0.715 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.349 -6.142 -0.403 1.00 0.00 N ATOM 67 CA LYS A 8 -13.252 -5.325 -1.601 1.00 0.00 C ATOM 68 C LYS A 8 -11.835 -4.760 -1.714 1.00 0.00 C ATOM 69 O LYS A 8 -11.133 -4.630 -0.712 1.00 0.00 O ATOM 70 CB LYS A 8 -14.344 -4.254 -1.609 1.00 0.00 C ATOM 71 CG LYS A 8 -15.606 -4.762 -2.310 1.00 0.00 C ATOM 72 CD LYS A 8 -16.765 -4.900 -1.321 1.00 0.00 C ATOM 73 CE LYS A 8 -18.087 -5.135 -2.055 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.736 -6.374 -1.569 1.00 0.00 N ATOM 0 HA LYS A 8 -13.426 -5.931 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.583 -3.966 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.978 -3.360 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.885 -4.074 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.404 -5.726 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.570 -5.729 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.838 -3.999 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.751 -4.285 -1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.906 -5.208 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.632 -6.519 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.107 -7.185 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.926 -6.290 -0.550 1.00 0.00 H new ATOM 88 N SER A 9 -11.456 -4.439 -2.942 1.00 0.00 N ATOM 89 CA SER A 9 -10.136 -3.890 -3.199 1.00 0.00 C ATOM 90 C SER A 9 -10.255 -2.446 -3.691 1.00 0.00 C ATOM 91 O SER A 9 -10.881 -2.187 -4.718 1.00 0.00 O ATOM 92 CB SER A 9 -9.376 -4.738 -4.221 1.00 0.00 C ATOM 93 OG SER A 9 -9.623 -4.312 -5.558 1.00 0.00 O ATOM 0 H SER A 9 -12.041 -4.549 -3.771 1.00 0.00 H new ATOM 0 HA SER A 9 -9.573 -3.903 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.307 -4.683 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.668 -5.783 -4.114 1.00 0.00 H new ATOM 0 HG SER A 9 -9.450 -3.350 -5.632 1.00 0.00 H new ATOM 99 N LEU A 10 -9.646 -1.545 -2.936 1.00 0.00 N ATOM 100 CA LEU A 10 -9.676 -0.134 -3.283 1.00 0.00 C ATOM 101 C LEU A 10 -8.307 0.283 -3.823 1.00 0.00 C ATOM 102 O LEU A 10 -7.302 -0.371 -3.550 1.00 0.00 O ATOM 103 CB LEU A 10 -10.147 0.701 -2.091 1.00 0.00 C ATOM 104 CG LEU A 10 -11.240 0.074 -1.223 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.317 -0.585 -2.088 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.642 -0.903 -0.209 1.00 0.00 C ATOM 0 H LEU A 10 -9.128 -1.764 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.401 0.048 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.285 0.913 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.512 1.658 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.724 0.869 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.082 -1.023 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.772 0.164 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.865 -1.366 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.440 -1.334 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.116 -1.698 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.943 -0.373 0.438 1.00 0.00 H new ATOM 118 N THR A 11 -8.311 1.371 -4.580 1.00 0.00 N ATOM 119 CA THR A 11 -7.082 1.883 -5.161 1.00 0.00 C ATOM 120 C THR A 11 -6.639 3.155 -4.436 1.00 0.00 C ATOM 121 O THR A 11 -7.468 3.990 -4.077 1.00 0.00 O ATOM 122 CB THR A 11 -7.317 2.088 -6.659 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.175 1.012 -7.027 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.051 1.855 -7.487 1.00 0.00 C ATOM 0 H THR A 11 -9.146 1.912 -4.804 1.00 0.00 H new ATOM 0 HA THR A 11 -6.262 1.175 -5.040 1.00 0.00 H new ATOM 0 HB THR A 11 -7.684 3.099 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.380 1.069 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.272 2.013 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.276 2.553 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.702 0.833 -7.339 1.00 0.00 H new ATOM 132 N LEU A 12 -5.333 3.263 -4.241 1.00 0.00 N ATOM 133 CA LEU A 12 -4.770 4.419 -3.565 1.00 0.00 C ATOM 134 C LEU A 12 -3.477 4.837 -4.269 1.00 0.00 C ATOM 135 O LEU A 12 -2.640 3.994 -4.587 1.00 0.00 O ATOM 136 CB LEU A 12 -4.593 4.133 -2.072 1.00 0.00 C ATOM 137 CG LEU A 12 -5.021 2.742 -1.600 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.827 1.787 -1.555 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.746 2.819 -0.255 1.00 0.00 C ATOM 0 H LEU A 12 -4.648 2.568 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.454 5.266 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.543 4.274 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.160 4.876 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.728 2.338 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.159 0.805 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.393 1.700 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.077 2.174 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.040 1.817 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.081 3.252 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.634 3.443 -0.356 1.00 0.00 H new ATOM 151 N VAL A 13 -3.355 6.137 -4.490 1.00 0.00 N ATOM 152 CA VAL A 13 -2.178 6.677 -5.150 1.00 0.00 C ATOM 153 C VAL A 13 -1.227 7.252 -4.099 1.00 0.00 C ATOM 154 O VAL A 13 -1.574 8.199 -3.394 1.00 0.00 O ATOM 155 CB VAL A 13 -2.595 7.704 -6.205 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.546 9.123 -5.637 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.726 7.585 -7.459 1.00 0.00 C ATOM 0 H VAL A 13 -4.052 6.833 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.641 5.889 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.626 7.493 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.847 9.834 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.225 9.199 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.531 9.350 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.043 8.326 -8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.682 7.758 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.833 6.586 -7.882 1.00 0.00 H new ATOM 167 N LEU A 14 -0.047 6.655 -4.025 1.00 0.00 N ATOM 168 CA LEU A 14 0.957 7.096 -3.071 1.00 0.00 C ATOM 169 C LEU A 14 2.098 7.787 -3.821 1.00 0.00 C ATOM 170 O LEU A 14 2.323 7.518 -4.999 1.00 0.00 O ATOM 171 CB LEU A 14 1.414 5.927 -2.196 1.00 0.00 C ATOM 172 CG LEU A 14 0.304 5.117 -1.524 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.886 4.097 -0.544 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.717 6.038 -0.854 1.00 0.00 C ATOM 0 H LEU A 14 0.237 5.869 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 14 0.535 7.831 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.009 5.251 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.073 6.316 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.225 4.557 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.076 3.535 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.543 3.412 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.455 4.617 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.495 5.437 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.219 6.644 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.165 6.690 -1.603 1.00 0.00 H new ATOM 186 N HIS A 15 2.787 8.664 -3.106 1.00 0.00 N ATOM 187 CA HIS A 15 3.899 9.396 -3.688 1.00 0.00 C ATOM 188 C HIS A 15 5.147 9.207 -2.824 1.00 0.00 C ATOM 189 O HIS A 15 5.056 8.735 -1.691 1.00 0.00 O ATOM 190 CB HIS A 15 3.535 10.868 -3.890 1.00 0.00 C ATOM 191 CG HIS A 15 2.338 11.087 -4.785 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.437 11.657 -6.042 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.017 10.807 -4.592 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.224 11.713 -6.572 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.346 11.187 -5.672 1.00 0.00 N ATOM 0 H HIS A 15 2.597 8.884 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 15 4.122 8.998 -4.678 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.337 11.319 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.393 11.389 -4.314 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.297 11.979 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.590 10.353 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.975 12.106 -7.546 1.00 0.00 H new ATOM 268 N LEU A 21 7.305 7.425 1.325 1.00 0.00 N ATOM 269 CA LEU A 21 5.942 7.015 1.032 1.00 0.00 C ATOM 270 C LEU A 21 5.007 7.554 2.117 1.00 0.00 C ATOM 271 O LEU A 21 3.956 8.115 1.812 1.00 0.00 O ATOM 272 CB LEU A 21 5.867 5.497 0.854 1.00 0.00 C ATOM 273 CG LEU A 21 6.596 4.927 -0.364 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.955 5.415 -1.665 1.00 0.00 C ATOM 275 CD2 LEU A 21 8.091 5.246 -0.307 1.00 0.00 C ATOM 0 HA LEU A 21 5.611 7.441 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.273 5.026 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.817 5.210 0.791 1.00 0.00 H new ATOM 0 HG LEU A 21 6.497 3.842 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.492 4.995 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.914 5.095 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.002 6.503 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.586 4.829 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.232 6.327 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.522 4.809 0.594 1.00 0.00 H new ATOM 287 N GLY A 22 5.424 7.365 3.360 1.00 0.00 N ATOM 288 CA GLY A 22 4.637 7.825 4.491 1.00 0.00 C ATOM 289 C GLY A 22 3.899 6.662 5.156 1.00 0.00 C ATOM 290 O GLY A 22 2.719 6.777 5.484 1.00 0.00 O ATOM 0 H GLY A 22 6.297 6.899 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.288 8.310 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.918 8.573 4.158 1.00 0.00 H new ATOM 294 N PHE A 23 4.625 5.567 5.334 1.00 0.00 N ATOM 295 CA PHE A 23 4.053 4.384 5.954 1.00 0.00 C ATOM 296 C PHE A 23 5.104 3.282 6.103 1.00 0.00 C ATOM 297 O PHE A 23 6.247 3.447 5.678 1.00 0.00 O ATOM 298 CB PHE A 23 2.940 3.888 5.029 1.00 0.00 C ATOM 299 CG PHE A 23 3.441 3.087 3.825 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.540 3.504 3.141 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.787 1.959 3.440 1.00 0.00 C ATOM 302 CE1 PHE A 23 5.004 2.761 2.024 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.252 1.215 2.323 1.00 0.00 C ATOM 304 CZ PHE A 23 4.351 1.632 1.638 1.00 0.00 C ATOM 0 H PHE A 23 5.603 5.475 5.060 1.00 0.00 H new ATOM 0 HA PHE A 23 3.677 4.629 6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.253 3.268 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.371 4.746 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.059 4.400 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.914 1.629 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.876 3.092 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.733 0.318 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.705 1.067 0.788 1.00 0.00 H new ATOM 314 N ASN A 24 4.680 2.182 6.708 1.00 0.00 N ATOM 315 CA ASN A 24 5.570 1.053 6.919 1.00 0.00 C ATOM 316 C ASN A 24 4.846 -0.240 6.539 1.00 0.00 C ATOM 317 O ASN A 24 3.618 -0.301 6.575 1.00 0.00 O ATOM 318 CB ASN A 24 5.988 0.947 8.387 1.00 0.00 C ATOM 319 CG ASN A 24 7.066 1.978 8.726 1.00 0.00 C ATOM 320 OD1 ASN A 24 7.472 2.783 7.904 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.505 1.909 9.980 1.00 0.00 N ATOM 0 H ASN A 24 3.732 2.049 7.059 1.00 0.00 H new ATOM 0 HA ASN A 24 6.456 1.203 6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.120 1.099 9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.362 -0.056 8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.225 2.555 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.122 1.210 10.617 1.00 0.00 H new ATOM 328 N ILE A 25 5.637 -1.242 6.183 1.00 0.00 N ATOM 329 CA ILE A 25 5.087 -2.530 5.797 1.00 0.00 C ATOM 330 C ILE A 25 5.693 -3.624 6.678 1.00 0.00 C ATOM 331 O ILE A 25 6.800 -3.469 7.192 1.00 0.00 O ATOM 332 CB ILE A 25 5.282 -2.768 4.299 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.612 -2.184 3.819 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.096 -2.225 3.498 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.973 -2.711 2.429 1.00 0.00 C ATOM 0 H ILE A 25 6.655 -1.187 6.154 1.00 0.00 H new ATOM 0 HA ILE A 25 4.010 -2.549 5.962 1.00 0.00 H new ATOM 0 HB ILE A 25 5.322 -3.844 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.548 -1.096 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.402 -2.440 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.260 -2.407 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.182 -2.727 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.000 -1.153 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.923 -2.280 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.061 -3.797 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.193 -2.432 1.720 1.00 0.00 H new ATOM 347 N ILE A 26 4.942 -4.705 6.825 1.00 0.00 N ATOM 348 CA ILE A 26 5.391 -5.824 7.635 1.00 0.00 C ATOM 349 C ILE A 26 5.174 -7.127 6.863 1.00 0.00 C ATOM 350 O ILE A 26 4.448 -7.150 5.870 1.00 0.00 O ATOM 351 CB ILE A 26 4.712 -5.801 9.006 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.352 -6.500 8.956 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.602 -4.371 9.539 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.747 -6.623 10.356 1.00 0.00 C ATOM 0 H ILE A 26 4.025 -4.830 6.396 1.00 0.00 H new ATOM 0 HA ILE A 26 6.460 -5.745 7.834 1.00 0.00 H new ATOM 0 HB ILE A 26 5.335 -6.359 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.675 -5.940 8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.464 -7.491 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.116 -4.383 10.514 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.599 -3.941 9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.013 -3.769 8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.781 -7.123 10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.415 -7.204 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.613 -5.629 10.783 1.00 0.00 H new ATOM 555 N GLY A 42 3.631 -12.110 3.845 1.00 0.00 N ATOM 556 CA GLY A 42 2.687 -11.183 3.244 1.00 0.00 C ATOM 557 C GLY A 42 3.112 -9.733 3.486 1.00 0.00 C ATOM 558 O GLY A 42 4.098 -9.479 4.176 1.00 0.00 O ATOM 0 HA2 GLY A 42 2.619 -11.372 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.694 -11.349 3.661 1.00 0.00 H new ATOM 562 N ILE A 43 2.348 -8.821 2.904 1.00 0.00 N ATOM 563 CA ILE A 43 2.633 -7.404 3.048 1.00 0.00 C ATOM 564 C ILE A 43 1.427 -6.706 3.678 1.00 0.00 C ATOM 565 O ILE A 43 0.322 -6.761 3.140 1.00 0.00 O ATOM 566 CB ILE A 43 3.058 -6.804 1.706 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.185 -7.623 1.071 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.437 -5.330 1.859 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.358 -7.782 2.040 1.00 0.00 C ATOM 0 H ILE A 43 1.532 -9.036 2.332 1.00 0.00 H new ATOM 0 HA ILE A 43 3.477 -7.252 3.721 1.00 0.00 H new ATOM 0 HB ILE A 43 2.206 -6.848 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.809 -8.605 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.526 -7.134 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.735 -4.929 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.580 -4.771 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.266 -5.238 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.145 -8.367 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.747 -6.799 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.019 -8.293 2.941 1.00 0.00 H new ATOM 581 N PHE A 44 1.678 -6.066 4.811 1.00 0.00 N ATOM 582 CA PHE A 44 0.626 -5.358 5.520 1.00 0.00 C ATOM 583 C PHE A 44 1.126 -4.007 6.037 1.00 0.00 C ATOM 584 O PHE A 44 2.319 -3.835 6.282 1.00 0.00 O ATOM 585 CB PHE A 44 0.226 -6.230 6.712 1.00 0.00 C ATOM 586 CG PHE A 44 -0.560 -7.486 6.328 1.00 0.00 C ATOM 587 CD1 PHE A 44 0.102 -8.626 5.993 1.00 0.00 C ATOM 588 CD2 PHE A 44 -1.919 -7.462 6.321 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.627 -9.791 5.637 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.648 -8.627 5.964 1.00 0.00 C ATOM 591 CZ PHE A 44 -1.987 -9.767 5.630 1.00 0.00 C ATOM 0 H PHE A 44 2.595 -6.023 5.255 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.214 -5.172 4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.126 -6.527 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.374 -5.634 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.182 -8.645 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.444 -6.557 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.102 -10.697 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.728 -8.607 5.958 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.542 -10.653 5.359 1.00 0.00 H new ATOM 601 N VAL A 45 0.188 -3.084 6.188 1.00 0.00 N ATOM 602 CA VAL A 45 0.518 -1.754 6.672 1.00 0.00 C ATOM 603 C VAL A 45 0.338 -1.709 8.190 1.00 0.00 C ATOM 604 O VAL A 45 -0.781 -1.823 8.690 1.00 0.00 O ATOM 605 CB VAL A 45 -0.322 -0.707 5.938 1.00 0.00 C ATOM 606 CG1 VAL A 45 -0.070 0.692 6.503 1.00 0.00 C ATOM 607 CG2 VAL A 45 -0.055 -0.747 4.432 1.00 0.00 C ATOM 0 H VAL A 45 -0.801 -3.231 5.984 1.00 0.00 H new ATOM 0 HA VAL A 45 1.561 -1.519 6.462 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.373 -0.948 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.679 1.417 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.335 0.710 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.984 0.946 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.665 0.007 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.999 -0.543 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.309 -1.733 4.044 1.00 0.00 H new ATOM 617 N SER A 46 1.455 -1.542 8.883 1.00 0.00 N ATOM 618 CA SER A 46 1.434 -1.480 10.334 1.00 0.00 C ATOM 619 C SER A 46 1.474 -0.022 10.796 1.00 0.00 C ATOM 620 O SER A 46 0.778 0.354 11.739 1.00 0.00 O ATOM 621 CB SER A 46 2.604 -2.260 10.936 1.00 0.00 C ATOM 622 OG SER A 46 2.451 -2.456 12.339 1.00 0.00 O ATOM 0 H SER A 46 2.381 -1.448 8.466 1.00 0.00 H new ATOM 0 HA SER A 46 0.509 -1.940 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.686 -3.228 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.534 -1.724 10.744 1.00 0.00 H new ATOM 0 HG SER A 46 3.218 -2.959 12.685 1.00 0.00 H new ATOM 628 N LYS A 47 2.296 0.760 10.112 1.00 0.00 N ATOM 629 CA LYS A 47 2.436 2.168 10.441 1.00 0.00 C ATOM 630 C LYS A 47 2.035 3.013 9.229 1.00 0.00 C ATOM 631 O LYS A 47 2.102 2.546 8.093 1.00 0.00 O ATOM 632 CB LYS A 47 3.848 2.461 10.953 1.00 0.00 C ATOM 633 CG LYS A 47 3.861 3.706 11.843 1.00 0.00 C ATOM 634 CD LYS A 47 4.527 4.883 11.128 1.00 0.00 C ATOM 635 CE LYS A 47 4.997 5.938 12.131 1.00 0.00 C ATOM 636 NZ LYS A 47 6.395 6.335 11.849 1.00 0.00 N ATOM 0 H LYS A 47 2.872 0.445 9.331 1.00 0.00 H new ATOM 0 HA LYS A 47 1.763 2.437 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.220 1.604 11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.522 2.606 10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.840 3.973 12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.393 3.490 12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.376 4.526 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.824 5.331 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.347 6.812 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.922 5.544 13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.698 7.052 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.014 5.502 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.457 6.731 10.889 1.00 0.00 H new ATOM 650 N ILE A 48 1.626 4.240 9.513 1.00 0.00 N ATOM 651 CA ILE A 48 1.214 5.154 8.462 1.00 0.00 C ATOM 652 C ILE A 48 1.467 6.594 8.914 1.00 0.00 C ATOM 653 O ILE A 48 0.770 7.104 9.790 1.00 0.00 O ATOM 654 CB ILE A 48 -0.236 4.883 8.054 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.328 3.665 7.133 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.871 6.126 7.427 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.692 3.603 6.442 1.00 0.00 C ATOM 0 H ILE A 48 1.571 4.623 10.457 1.00 0.00 H new ATOM 0 HA ILE A 48 1.809 4.993 7.563 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.806 4.650 8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.462 3.711 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.167 2.755 7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.901 5.906 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.858 6.944 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.307 6.415 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.732 2.728 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.478 3.533 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.839 4.504 5.846 1.00 0.00 H new ATOM 669 N VAL A 49 2.465 7.207 8.297 1.00 0.00 N ATOM 670 CA VAL A 49 2.819 8.578 8.625 1.00 0.00 C ATOM 671 C VAL A 49 1.656 9.502 8.259 1.00 0.00 C ATOM 672 O VAL A 49 1.159 9.464 7.134 1.00 0.00 O ATOM 673 CB VAL A 49 4.128 8.961 7.932 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.575 10.365 8.343 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.222 7.931 8.219 1.00 0.00 C ATOM 0 H VAL A 49 3.041 6.780 7.571 1.00 0.00 H new ATOM 0 HA VAL A 49 2.992 8.682 9.696 1.00 0.00 H new ATOM 0 HB VAL A 49 3.949 8.968 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.508 10.613 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.808 11.087 8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.728 10.397 9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.142 8.227 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.398 7.877 9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.906 6.954 7.854 1.00 0.00 H new ATOM 685 N ASP A 50 1.255 10.310 9.230 1.00 0.00 N ATOM 686 CA ASP A 50 0.160 11.242 9.023 1.00 0.00 C ATOM 687 C ASP A 50 0.545 12.241 7.931 1.00 0.00 C ATOM 688 O ASP A 50 -0.003 12.205 6.830 1.00 0.00 O ATOM 689 CB ASP A 50 -0.141 12.030 10.300 1.00 0.00 C ATOM 690 CG ASP A 50 -1.625 12.143 10.655 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.446 11.931 9.737 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.904 12.439 11.837 1.00 0.00 O ATOM 0 H ASP A 50 1.669 10.338 10.162 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.721 10.668 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.381 11.558 11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.270 13.034 10.195 1.00 0.00 H new ATOM 697 N SER A 51 1.485 13.110 8.273 1.00 0.00 N ATOM 698 CA SER A 51 1.950 14.117 7.335 1.00 0.00 C ATOM 699 C SER A 51 2.410 13.451 6.036 1.00 0.00 C ATOM 700 O SER A 51 2.508 14.106 5.000 1.00 0.00 O ATOM 701 CB SER A 51 3.086 14.948 7.936 1.00 0.00 C ATOM 702 OG SER A 51 2.699 16.301 8.157 1.00 0.00 O ATOM 0 H SER A 51 1.937 13.137 9.187 1.00 0.00 H new ATOM 0 HA SER A 51 1.120 14.789 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.401 14.502 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.947 14.922 7.268 1.00 0.00 H new ATOM 0 HG SER A 51 3.451 16.797 8.543 1.00 0.00 H new ATOM 708 N GLY A 52 2.678 12.158 6.135 1.00 0.00 N ATOM 709 CA GLY A 52 3.125 11.396 4.982 1.00 0.00 C ATOM 710 C GLY A 52 2.129 11.516 3.826 1.00 0.00 C ATOM 711 O GLY A 52 0.940 11.737 4.048 1.00 0.00 O ATOM 0 H GLY A 52 2.594 11.618 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.104 11.754 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.243 10.348 5.258 1.00 0.00 H new ATOM 715 N PRO A 53 2.666 11.361 2.586 1.00 0.00 N ATOM 716 CA PRO A 53 1.838 11.450 1.396 1.00 0.00 C ATOM 717 C PRO A 53 0.989 10.189 1.223 1.00 0.00 C ATOM 718 O PRO A 53 0.181 10.102 0.299 1.00 0.00 O ATOM 719 CB PRO A 53 2.816 11.669 0.252 1.00 0.00 C ATOM 720 CG PRO A 53 4.174 11.232 0.776 1.00 0.00 C ATOM 721 CD PRO A 53 4.071 11.099 2.286 1.00 0.00 C ATOM 0 HA PRO A 53 1.115 12.264 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.529 11.087 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.833 12.715 -0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.468 10.283 0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.939 11.961 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.368 10.104 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.723 11.811 2.792 1.00 0.00 H new ATOM 729 N ALA A 54 1.201 9.243 2.126 1.00 0.00 N ATOM 730 CA ALA A 54 0.465 7.991 2.085 1.00 0.00 C ATOM 731 C ALA A 54 -0.811 8.127 2.918 1.00 0.00 C ATOM 732 O ALA A 54 -1.844 7.554 2.576 1.00 0.00 O ATOM 733 CB ALA A 54 1.364 6.854 2.577 1.00 0.00 C ATOM 0 H ALA A 54 1.872 9.318 2.890 1.00 0.00 H new ATOM 0 HA ALA A 54 0.168 7.754 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.812 5.915 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.242 6.780 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.679 7.056 3.601 1.00 0.00 H new ATOM 739 N ALA A 55 -0.698 8.889 3.996 1.00 0.00 N ATOM 740 CA ALA A 55 -1.830 9.108 4.880 1.00 0.00 C ATOM 741 C ALA A 55 -2.579 10.367 4.441 1.00 0.00 C ATOM 742 O ALA A 55 -3.781 10.491 4.672 1.00 0.00 O ATOM 743 CB ALA A 55 -1.338 9.198 6.327 1.00 0.00 C ATOM 0 H ALA A 55 0.161 9.363 4.277 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.528 8.273 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.187 9.362 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.839 8.268 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.637 10.028 6.422 1.00 0.00 H new ATOM 749 N LYS A 56 -1.839 11.270 3.814 1.00 0.00 N ATOM 750 CA LYS A 56 -2.418 12.515 3.340 1.00 0.00 C ATOM 751 C LYS A 56 -3.422 12.213 2.225 1.00 0.00 C ATOM 752 O LYS A 56 -4.626 12.147 2.470 1.00 0.00 O ATOM 753 CB LYS A 56 -1.318 13.495 2.928 1.00 0.00 C ATOM 754 CG LYS A 56 -0.937 14.412 4.092 1.00 0.00 C ATOM 755 CD LYS A 56 -1.810 15.668 4.111 1.00 0.00 C ATOM 756 CE LYS A 56 -2.283 15.986 5.531 1.00 0.00 C ATOM 757 NZ LYS A 56 -2.745 17.389 5.621 1.00 0.00 N ATOM 0 H LYS A 56 -0.843 11.164 3.623 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.969 13.009 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.440 12.942 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.658 14.095 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.047 13.874 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.112 14.696 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.247 16.513 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.673 15.526 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.092 15.312 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.470 15.818 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.063 17.588 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.963 18.029 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.535 17.537 4.961 1.00 0.00 H new ATOM 771 N GLU A 57 -2.890 12.038 1.025 1.00 0.00 N ATOM 772 CA GLU A 57 -3.724 11.745 -0.128 1.00 0.00 C ATOM 773 C GLU A 57 -3.674 10.251 -0.453 1.00 0.00 C ATOM 774 O GLU A 57 -4.604 9.710 -1.051 1.00 0.00 O ATOM 775 CB GLU A 57 -3.303 12.583 -1.337 1.00 0.00 C ATOM 776 CG GLU A 57 -3.532 14.073 -1.077 1.00 0.00 C ATOM 777 CD GLU A 57 -4.943 14.492 -1.494 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.118 14.778 -2.698 1.00 0.00 O ATOM 779 OE2 GLU A 57 -5.816 14.516 -0.599 1.00 0.00 O ATOM 0 H GLU A 57 -1.891 12.093 0.826 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.753 12.010 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.250 12.406 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.869 12.272 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.383 14.288 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.797 14.659 -1.628 1.00 0.00 H new ATOM 786 N GLY A 58 -2.580 9.625 -0.045 1.00 0.00 N ATOM 787 CA GLY A 58 -2.397 8.204 -0.285 1.00 0.00 C ATOM 788 C GLY A 58 -3.730 7.457 -0.199 1.00 0.00 C ATOM 789 O GLY A 58 -4.118 6.762 -1.136 1.00 0.00 O ATOM 0 H GLY A 58 -1.811 10.076 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.954 8.052 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.699 7.795 0.446 1.00 0.00 H new ATOM 793 N GLY A 59 -4.394 7.626 0.935 1.00 0.00 N ATOM 794 CA GLY A 59 -5.675 6.977 1.156 1.00 0.00 C ATOM 795 C GLY A 59 -5.491 5.618 1.836 1.00 0.00 C ATOM 796 O GLY A 59 -6.452 4.871 2.007 1.00 0.00 O ATOM 0 H GLY A 59 -4.069 8.203 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.308 7.614 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.189 6.845 0.204 1.00 0.00 H new ATOM 800 N LEU A 60 -4.249 5.341 2.206 1.00 0.00 N ATOM 801 CA LEU A 60 -3.927 4.086 2.863 1.00 0.00 C ATOM 802 C LEU A 60 -4.581 4.057 4.246 1.00 0.00 C ATOM 803 O LEU A 60 -5.143 5.056 4.692 1.00 0.00 O ATOM 804 CB LEU A 60 -2.412 3.871 2.895 1.00 0.00 C ATOM 805 CG LEU A 60 -1.942 2.415 2.899 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.713 1.586 1.870 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.429 2.327 2.689 1.00 0.00 C ATOM 0 H LEU A 60 -3.454 5.964 2.063 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.333 3.246 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.976 4.371 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.014 4.363 3.782 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.156 1.990 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.359 0.555 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.777 1.610 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.553 2.001 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.121 1.281 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.168 2.776 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.081 2.861 3.491 1.00 0.00 H new ATOM 819 N GLN A 61 -4.486 2.901 4.886 1.00 0.00 N ATOM 820 CA GLN A 61 -5.061 2.729 6.210 1.00 0.00 C ATOM 821 C GLN A 61 -4.383 1.566 6.936 1.00 0.00 C ATOM 822 O GLN A 61 -4.242 0.478 6.379 1.00 0.00 O ATOM 823 CB GLN A 61 -6.574 2.515 6.126 1.00 0.00 C ATOM 824 CG GLN A 61 -7.289 3.190 7.299 1.00 0.00 C ATOM 825 CD GLN A 61 -8.335 2.258 7.913 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.246 1.851 9.060 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.330 1.943 7.088 1.00 0.00 N ATOM 0 H GLN A 61 -4.020 2.074 4.513 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.886 3.640 6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.950 2.918 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.795 1.448 6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.561 3.475 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.769 4.107 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.344 2.318 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.079 1.326 7.404 1.00 0.00 H new ATOM 836 N ILE A 62 -3.981 1.835 8.170 1.00 0.00 N ATOM 837 CA ILE A 62 -3.320 0.824 8.979 1.00 0.00 C ATOM 838 C ILE A 62 -4.114 -0.481 8.904 1.00 0.00 C ATOM 839 O ILE A 62 -5.310 -0.469 8.618 1.00 0.00 O ATOM 840 CB ILE A 62 -3.108 1.334 10.406 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.437 2.709 10.402 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.328 0.318 11.241 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.585 2.906 11.657 1.00 0.00 C ATOM 0 H ILE A 62 -4.100 2.738 8.629 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.324 0.615 8.589 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.085 1.453 10.875 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.813 2.810 9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.197 3.488 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.191 0.705 12.251 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.882 -0.620 11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.354 0.143 10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.119 3.891 11.630 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.217 2.828 12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.811 2.139 11.695 1.00 0.00 H new ATOM 855 N HIS A 63 -3.416 -1.577 9.165 1.00 0.00 N ATOM 856 CA HIS A 63 -4.040 -2.888 9.131 1.00 0.00 C ATOM 857 C HIS A 63 -4.646 -3.132 7.747 1.00 0.00 C ATOM 858 O HIS A 63 -5.793 -3.561 7.635 1.00 0.00 O ATOM 859 CB HIS A 63 -5.063 -3.033 10.260 1.00 0.00 C ATOM 860 CG HIS A 63 -4.566 -2.555 11.603 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.342 -2.668 12.193 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -5.370 -1.872 12.500 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.394 -2.085 13.384 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -4.651 -1.592 13.577 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.424 -1.583 9.401 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.287 -3.657 9.301 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.961 -2.475 9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.352 -4.081 10.343 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.407 -1.612 12.348 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.576 -2.013 14.085 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.980 -1.095 14.405 1.00 0.00 H new ATOM 872 N ASP A 64 -3.847 -2.850 6.729 1.00 0.00 N ATOM 873 CA ASP A 64 -4.290 -3.033 5.357 1.00 0.00 C ATOM 874 C ASP A 64 -3.287 -3.921 4.617 1.00 0.00 C ATOM 875 O ASP A 64 -2.078 -3.780 4.794 1.00 0.00 O ATOM 876 CB ASP A 64 -4.370 -1.694 4.620 1.00 0.00 C ATOM 877 CG ASP A 64 -5.696 -0.949 4.777 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.652 -1.587 5.270 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.725 0.243 4.400 1.00 0.00 O ATOM 0 H ASP A 64 -2.895 -2.496 6.826 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.279 -3.491 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.565 -1.051 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.192 -1.869 3.559 1.00 0.00 H new ATOM 884 N ARG A 65 -3.827 -4.816 3.802 1.00 0.00 N ATOM 885 CA ARG A 65 -2.995 -5.726 3.034 1.00 0.00 C ATOM 886 C ARG A 65 -2.869 -5.239 1.589 1.00 0.00 C ATOM 887 O ARG A 65 -3.821 -5.325 0.815 1.00 0.00 O ATOM 888 CB ARG A 65 -3.578 -7.141 3.038 1.00 0.00 C ATOM 889 CG ARG A 65 -2.482 -8.186 2.814 1.00 0.00 C ATOM 890 CD ARG A 65 -3.085 -9.536 2.420 1.00 0.00 C ATOM 891 NE ARG A 65 -2.060 -10.374 1.759 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.266 -11.636 1.357 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.460 -12.213 1.548 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.277 -12.320 0.766 1.00 0.00 N ATOM 0 H ARG A 65 -4.830 -4.930 3.657 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.010 -5.749 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.077 -7.330 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.334 -7.229 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.803 -7.845 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.891 -8.299 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.468 -10.045 3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.931 -9.384 1.749 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.139 -9.966 1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.212 -11.692 1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.617 -13.173 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.368 -11.880 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.433 -13.280 0.460 1.00 0.00 H new ATOM 908 N ILE A 66 -1.685 -4.737 1.269 1.00 0.00 N ATOM 909 CA ILE A 66 -1.421 -4.236 -0.069 1.00 0.00 C ATOM 910 C ILE A 66 -1.613 -5.368 -1.080 1.00 0.00 C ATOM 911 O ILE A 66 -1.106 -6.472 -0.884 1.00 0.00 O ATOM 912 CB ILE A 66 -0.040 -3.581 -0.133 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.263 -2.813 1.155 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.089 -2.694 -1.373 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.303 -1.718 0.908 1.00 0.00 C ATOM 0 H ILE A 66 -0.898 -4.667 1.914 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.132 -3.452 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 66 0.708 -4.369 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.654 -2.368 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.629 -3.502 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.080 -2.240 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.053 -3.298 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.668 -1.910 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.501 -1.187 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.226 -2.169 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.924 -1.017 0.164 1.00 0.00 H new ATOM 927 N ILE A 67 -2.345 -5.056 -2.139 1.00 0.00 N ATOM 928 CA ILE A 67 -2.610 -6.034 -3.181 1.00 0.00 C ATOM 929 C ILE A 67 -1.600 -5.849 -4.315 1.00 0.00 C ATOM 930 O ILE A 67 -1.013 -6.819 -4.793 1.00 0.00 O ATOM 931 CB ILE A 67 -4.068 -5.951 -3.635 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.992 -5.630 -2.459 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.489 -7.229 -4.363 1.00 0.00 C ATOM 934 CD1 ILE A 67 -5.199 -6.861 -1.573 1.00 0.00 C ATOM 0 H ILE A 67 -2.763 -4.139 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.478 -7.046 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.157 -5.130 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.566 -4.819 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.954 -5.280 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.530 -7.144 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.858 -7.373 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.380 -8.082 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.860 -6.606 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.647 -7.662 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.238 -7.193 -1.181 1.00 0.00 H new ATOM 946 N GLU A 68 -1.429 -4.597 -4.714 1.00 0.00 N ATOM 947 CA GLU A 68 -0.500 -4.273 -5.784 1.00 0.00 C ATOM 948 C GLU A 68 -0.022 -2.826 -5.651 1.00 0.00 C ATOM 949 O GLU A 68 -0.714 -1.990 -5.070 1.00 0.00 O ATOM 950 CB GLU A 68 -1.136 -4.517 -7.154 1.00 0.00 C ATOM 951 CG GLU A 68 -0.217 -5.358 -8.042 1.00 0.00 C ATOM 952 CD GLU A 68 -0.861 -6.705 -8.377 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.541 -7.248 -7.480 1.00 0.00 O ATOM 954 OE2 GLU A 68 -0.660 -7.161 -9.524 1.00 0.00 O ATOM 0 H GLU A 68 -1.918 -3.795 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 68 0.366 -4.930 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.092 -5.025 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.342 -3.563 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.001 -4.816 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.734 -5.522 -7.535 1.00 0.00 H new ATOM 961 N VAL A 69 1.157 -2.573 -6.199 1.00 0.00 N ATOM 962 CA VAL A 69 1.736 -1.241 -6.149 1.00 0.00 C ATOM 963 C VAL A 69 2.402 -0.929 -7.491 1.00 0.00 C ATOM 964 O VAL A 69 3.394 -1.557 -7.857 1.00 0.00 O ATOM 965 CB VAL A 69 2.698 -1.133 -4.965 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.124 -1.497 -5.382 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.648 0.265 -4.344 1.00 0.00 C ATOM 0 H VAL A 69 1.728 -3.268 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 69 0.960 -0.493 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 69 2.378 -1.848 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.788 -1.412 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.144 -2.521 -5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.458 -0.818 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.341 0.315 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.930 1.006 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.637 0.471 -3.993 1.00 0.00 H new ATOM 977 N ASN A 70 1.830 0.042 -8.187 1.00 0.00 N ATOM 978 CA ASN A 70 2.355 0.446 -9.480 1.00 0.00 C ATOM 979 C ASN A 70 2.002 -0.616 -10.524 1.00 0.00 C ATOM 980 O ASN A 70 1.470 -0.296 -11.585 1.00 0.00 O ATOM 981 CB ASN A 70 3.879 0.579 -9.438 1.00 0.00 C ATOM 982 CG ASN A 70 4.361 1.668 -10.398 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.494 2.866 -9.835 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.597 1.437 -11.573 1.00 0.00 N flip ATOM 0 H ASN A 70 1.008 0.561 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 70 1.915 1.410 -9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.199 0.816 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.338 -0.373 -9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.474 0.494 -11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.917 2.187 -12.186 1.00 0.00 H new ATOM 991 N GLY A 71 2.313 -1.859 -10.185 1.00 0.00 N ATOM 992 CA GLY A 71 2.035 -2.970 -11.079 1.00 0.00 C ATOM 993 C GLY A 71 2.838 -4.209 -10.680 1.00 0.00 C ATOM 994 O GLY A 71 3.080 -5.089 -11.505 1.00 0.00 O ATOM 0 H GLY A 71 2.755 -2.121 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.970 -3.200 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.280 -2.688 -12.103 1.00 0.00 H new ATOM 998 N ARG A 72 3.229 -4.239 -9.414 1.00 0.00 N ATOM 999 CA ARG A 72 4.000 -5.356 -8.895 1.00 0.00 C ATOM 1000 C ARG A 72 3.207 -6.091 -7.813 1.00 0.00 C ATOM 1001 O ARG A 72 2.770 -5.483 -6.837 1.00 0.00 O ATOM 1002 CB ARG A 72 5.331 -4.882 -8.309 1.00 0.00 C ATOM 1003 CG ARG A 72 6.509 -5.381 -9.149 1.00 0.00 C ATOM 1004 CD ARG A 72 7.834 -5.169 -8.414 1.00 0.00 C ATOM 1005 NE ARG A 72 8.889 -6.011 -9.021 1.00 0.00 N ATOM 1006 CZ ARG A 72 10.187 -5.941 -8.694 1.00 0.00 C ATOM 1007 NH1 ARG A 72 10.598 -5.067 -7.766 1.00 0.00 N ATOM 1008 NH2 ARG A 72 11.074 -6.744 -9.297 1.00 0.00 N ATOM 0 H ARG A 72 3.026 -3.508 -8.733 1.00 0.00 H new ATOM 0 HA ARG A 72 4.202 -6.033 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.346 -3.793 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.431 -5.243 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.378 -6.440 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.530 -4.854 -10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.122 -4.119 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.719 -5.420 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 72 8.611 -6.687 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.923 -4.454 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.586 -5.014 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.762 -7.409 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.062 -6.691 -9.048 1.00 0.00 H new ATOM 1022 N ASP A 73 3.044 -7.389 -8.022 1.00 0.00 N ATOM 1023 CA ASP A 73 2.311 -8.214 -7.076 1.00 0.00 C ATOM 1024 C ASP A 73 3.041 -8.212 -5.732 1.00 0.00 C ATOM 1025 O ASP A 73 4.128 -8.774 -5.610 1.00 0.00 O ATOM 1026 CB ASP A 73 2.220 -9.662 -7.562 1.00 0.00 C ATOM 1027 CG ASP A 73 0.866 -10.337 -7.334 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.239 -10.015 -6.302 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.490 -11.159 -8.196 1.00 0.00 O ATOM 0 H ASP A 73 3.407 -7.890 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 73 1.306 -7.803 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.446 -9.686 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.990 -10.247 -7.059 1.00 0.00 H new ATOM 1034 N LEU A 74 2.415 -7.572 -4.755 1.00 0.00 N ATOM 1035 CA LEU A 74 2.991 -7.489 -3.424 1.00 0.00 C ATOM 1036 C LEU A 74 2.110 -8.265 -2.442 1.00 0.00 C ATOM 1037 O LEU A 74 2.321 -8.203 -1.232 1.00 0.00 O ATOM 1038 CB LEU A 74 3.216 -6.029 -3.027 1.00 0.00 C ATOM 1039 CG LEU A 74 3.863 -5.137 -4.089 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.412 -3.852 -3.465 1.00 0.00 C ATOM 1041 CD2 LEU A 74 4.936 -5.901 -4.866 1.00 0.00 C ATOM 0 H LEU A 74 1.514 -7.106 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 74 3.976 -7.955 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.254 -5.595 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.841 -6.008 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 74 3.095 -4.844 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.866 -3.236 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.599 -3.300 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.162 -4.103 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.380 -5.245 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.709 -6.243 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.484 -6.761 -5.360 1.00 0.00 H new ATOM 1053 N SER A 75 1.143 -8.977 -3.000 1.00 0.00 N ATOM 1054 CA SER A 75 0.229 -9.764 -2.189 1.00 0.00 C ATOM 1055 C SER A 75 0.984 -10.912 -1.516 1.00 0.00 C ATOM 1056 O SER A 75 0.836 -11.138 -0.316 1.00 0.00 O ATOM 1057 CB SER A 75 -0.925 -10.309 -3.032 1.00 0.00 C ATOM 1058 OG SER A 75 -0.462 -11.003 -4.187 1.00 0.00 O ATOM 0 H SER A 75 0.972 -9.026 -4.004 1.00 0.00 H new ATOM 0 HA SER A 75 -0.193 -9.116 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.532 -10.981 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.570 -9.486 -3.338 1.00 0.00 H new ATOM 0 HG SER A 75 -0.402 -10.380 -4.941 1.00 0.00 H new ATOM 1064 N ARG A 76 1.776 -11.608 -2.319 1.00 0.00 N ATOM 1065 CA ARG A 76 2.553 -12.728 -1.816 1.00 0.00 C ATOM 1066 C ARG A 76 4.048 -12.405 -1.874 1.00 0.00 C ATOM 1067 O ARG A 76 4.882 -13.309 -1.881 1.00 0.00 O ATOM 1068 CB ARG A 76 2.281 -13.997 -2.627 1.00 0.00 C ATOM 1069 CG ARG A 76 2.773 -13.842 -4.067 1.00 0.00 C ATOM 1070 CD ARG A 76 2.778 -15.190 -4.792 1.00 0.00 C ATOM 1071 NE ARG A 76 3.049 -14.988 -6.233 1.00 0.00 N ATOM 1072 CZ ARG A 76 2.718 -15.866 -7.190 1.00 0.00 C ATOM 1073 NH1 ARG A 76 2.102 -17.011 -6.864 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.003 -15.600 -8.472 1.00 0.00 N ATOM 0 H ARG A 76 1.896 -11.418 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 76 2.254 -12.901 -0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.778 -14.846 -2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.212 -14.212 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.132 -13.140 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.778 -13.420 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.536 -15.843 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.817 -15.687 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 76 3.517 -14.127 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.885 -17.214 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.850 -17.680 -7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.472 -14.729 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.751 -16.269 -9.200 1.00 0.00 H new ATOM 1088 N ALA A 77 4.340 -11.113 -1.913 1.00 0.00 N ATOM 1089 CA ALA A 77 5.719 -10.660 -1.970 1.00 0.00 C ATOM 1090 C ALA A 77 6.270 -10.537 -0.548 1.00 0.00 C ATOM 1091 O ALA A 77 5.558 -10.791 0.422 1.00 0.00 O ATOM 1092 CB ALA A 77 5.791 -9.339 -2.739 1.00 0.00 C ATOM 0 H ALA A 77 3.645 -10.366 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 77 6.338 -11.382 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.826 -8.999 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.415 -9.486 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.183 -8.589 -2.232 1.00 0.00 H new ATOM 1098 N THR A 78 7.534 -10.148 -0.469 1.00 0.00 N ATOM 1099 CA THR A 78 8.189 -9.988 0.818 1.00 0.00 C ATOM 1100 C THR A 78 8.517 -8.515 1.071 1.00 0.00 C ATOM 1101 O THR A 78 8.518 -7.708 0.143 1.00 0.00 O ATOM 1102 CB THR A 78 9.420 -10.897 0.839 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.410 -10.156 0.131 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.228 -12.161 -0.002 1.00 0.00 C ATOM 0 H THR A 78 8.122 -9.939 -1.276 1.00 0.00 H new ATOM 0 HA THR A 78 7.532 -10.287 1.635 1.00 0.00 H new ATOM 0 HB THR A 78 9.648 -11.176 1.868 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.243 -10.671 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.130 -12.771 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.383 -12.731 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.034 -11.883 -1.038 1.00 0.00 H new ATOM 1112 N HIS A 79 8.789 -8.210 2.331 1.00 0.00 N ATOM 1113 CA HIS A 79 9.118 -6.849 2.718 1.00 0.00 C ATOM 1114 C HIS A 79 10.217 -6.307 1.801 1.00 0.00 C ATOM 1115 O HIS A 79 10.276 -5.106 1.540 1.00 0.00 O ATOM 1116 CB HIS A 79 9.495 -6.780 4.199 1.00 0.00 C ATOM 1117 CG HIS A 79 9.635 -5.375 4.732 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.858 -4.737 4.851 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.696 -4.492 5.176 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.651 -3.525 5.346 1.00 0.00 C ATOM 1121 NE2 HIS A 79 9.311 -3.375 5.547 1.00 0.00 N ATOM 0 H HIS A 79 8.788 -8.883 3.098 1.00 0.00 H new ATOM 0 HA HIS A 79 8.242 -6.211 2.596 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.737 -7.305 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.436 -7.310 4.349 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.764 -5.132 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.632 -4.671 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.411 -2.786 5.554 1.00 0.00 H new ATOM 1129 N ASP A 80 11.060 -7.218 1.338 1.00 0.00 N ATOM 1130 CA ASP A 80 12.154 -6.847 0.457 1.00 0.00 C ATOM 1131 C ASP A 80 11.586 -6.383 -0.886 1.00 0.00 C ATOM 1132 O ASP A 80 11.923 -5.302 -1.367 1.00 0.00 O ATOM 1133 CB ASP A 80 13.078 -8.037 0.194 1.00 0.00 C ATOM 1134 CG ASP A 80 14.496 -7.890 0.749 1.00 0.00 C ATOM 1135 OD1 ASP A 80 15.083 -6.809 0.528 1.00 0.00 O ATOM 1136 OD2 ASP A 80 14.961 -8.863 1.382 1.00 0.00 O ATOM 0 H ASP A 80 11.007 -8.213 1.557 1.00 0.00 H new ATOM 0 HA ASP A 80 12.721 -6.051 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.626 -8.931 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.140 -8.198 -0.882 1.00 0.00 H new ATOM 1141 N GLN A 81 10.734 -7.224 -1.454 1.00 0.00 N ATOM 1142 CA GLN A 81 10.116 -6.914 -2.732 1.00 0.00 C ATOM 1143 C GLN A 81 9.209 -5.689 -2.600 1.00 0.00 C ATOM 1144 O GLN A 81 9.300 -4.756 -3.396 1.00 0.00 O ATOM 1145 CB GLN A 81 9.337 -8.116 -3.270 1.00 0.00 C ATOM 1146 CG GLN A 81 10.287 -9.191 -3.802 1.00 0.00 C ATOM 1147 CD GLN A 81 9.568 -10.125 -4.778 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.456 -9.859 -5.963 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.088 -11.230 -4.215 1.00 0.00 N ATOM 0 H GLN A 81 10.457 -8.120 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 81 10.905 -6.683 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.715 -8.535 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.666 -7.793 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.133 -8.719 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.690 -9.769 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.217 -11.391 -3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.591 -11.917 -4.782 1.00 0.00 H new ATOM 1158 N ALA A 82 8.355 -5.730 -1.587 1.00 0.00 N ATOM 1159 CA ALA A 82 7.433 -4.635 -1.341 1.00 0.00 C ATOM 1160 C ALA A 82 8.219 -3.325 -1.242 1.00 0.00 C ATOM 1161 O ALA A 82 7.947 -2.378 -1.978 1.00 0.00 O ATOM 1162 CB ALA A 82 6.622 -4.924 -0.076 1.00 0.00 C ATOM 0 H ALA A 82 8.283 -6.505 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 82 6.727 -4.536 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.930 -4.102 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.060 -5.849 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.297 -5.027 0.773 1.00 0.00 H new ATOM 1168 N VAL A 83 9.176 -3.314 -0.327 1.00 0.00 N ATOM 1169 CA VAL A 83 10.003 -2.137 -0.123 1.00 0.00 C ATOM 1170 C VAL A 83 10.590 -1.692 -1.464 1.00 0.00 C ATOM 1171 O VAL A 83 10.438 -0.538 -1.860 1.00 0.00 O ATOM 1172 CB VAL A 83 11.073 -2.425 0.933 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.119 -1.309 0.972 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.442 -2.634 2.310 1.00 0.00 C ATOM 0 H VAL A 83 9.398 -4.102 0.282 1.00 0.00 H new ATOM 0 HA VAL A 83 9.403 -1.311 0.259 1.00 0.00 H new ATOM 0 HB VAL A 83 11.579 -3.349 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.868 -1.538 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.602 -1.229 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.634 -0.364 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.224 -2.837 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.897 -1.736 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.754 -3.479 2.271 1.00 0.00 H new ATOM 1184 N GLU A 84 11.249 -2.632 -2.126 1.00 0.00 N ATOM 1185 CA GLU A 84 11.859 -2.352 -3.414 1.00 0.00 C ATOM 1186 C GLU A 84 10.815 -1.804 -4.389 1.00 0.00 C ATOM 1187 O GLU A 84 11.092 -0.871 -5.140 1.00 0.00 O ATOM 1188 CB GLU A 84 12.538 -3.600 -3.982 1.00 0.00 C ATOM 1189 CG GLU A 84 13.201 -3.299 -5.328 1.00 0.00 C ATOM 1190 CD GLU A 84 14.349 -4.272 -5.604 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.204 -5.448 -5.205 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.345 -3.818 -6.206 1.00 0.00 O ATOM 0 H GLU A 84 11.374 -3.588 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 84 12.628 -1.593 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.286 -3.964 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.802 -4.395 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.461 -3.369 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.578 -2.276 -5.331 1.00 0.00 H new ATOM 1199 N ALA A 85 9.636 -2.408 -4.344 1.00 0.00 N ATOM 1200 CA ALA A 85 8.549 -1.992 -5.214 1.00 0.00 C ATOM 1201 C ALA A 85 8.237 -0.515 -4.962 1.00 0.00 C ATOM 1202 O ALA A 85 8.202 0.283 -5.897 1.00 0.00 O ATOM 1203 CB ALA A 85 7.335 -2.893 -4.980 1.00 0.00 C ATOM 0 H ALA A 85 9.410 -3.182 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 85 8.834 -2.095 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.519 -2.581 -5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.601 -3.927 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.018 -2.814 -3.940 1.00 0.00 H new ATOM 1209 N PHE A 86 8.017 -0.197 -3.695 1.00 0.00 N ATOM 1210 CA PHE A 86 7.709 1.169 -3.309 1.00 0.00 C ATOM 1211 C PHE A 86 8.906 2.090 -3.550 1.00 0.00 C ATOM 1212 O PHE A 86 8.740 3.296 -3.731 1.00 0.00 O ATOM 1213 CB PHE A 86 7.389 1.149 -1.813 1.00 0.00 C ATOM 1214 CG PHE A 86 5.933 0.807 -1.492 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.950 1.714 -1.741 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.621 -0.405 -0.959 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.598 1.396 -1.443 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.269 -0.723 -0.662 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.286 0.184 -0.910 1.00 0.00 C ATOM 0 H PHE A 86 8.046 -0.862 -2.922 1.00 0.00 H new ATOM 0 HA PHE A 86 6.873 1.543 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.038 0.424 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.624 2.125 -1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.198 2.676 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.401 -1.125 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.818 2.116 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.021 -1.685 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.258 -0.058 -0.684 1.00 0.00 H new ATOM 1229 N LYS A 87 10.086 1.488 -3.545 1.00 0.00 N ATOM 1230 CA LYS A 87 11.311 2.240 -3.761 1.00 0.00 C ATOM 1231 C LYS A 87 11.466 2.536 -5.254 1.00 0.00 C ATOM 1232 O LYS A 87 11.691 3.682 -5.642 1.00 0.00 O ATOM 1233 CB LYS A 87 12.506 1.502 -3.153 1.00 0.00 C ATOM 1234 CG LYS A 87 13.228 2.379 -2.128 1.00 0.00 C ATOM 1235 CD LYS A 87 14.683 1.939 -1.958 1.00 0.00 C ATOM 1236 CE LYS A 87 14.869 1.147 -0.662 1.00 0.00 C ATOM 1237 NZ LYS A 87 15.450 -0.184 -0.946 1.00 0.00 N ATOM 0 H LYS A 87 10.220 0.488 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 87 11.264 3.201 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.166 0.583 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.200 1.213 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.194 3.421 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.713 2.323 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.983 1.327 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.333 2.814 -1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.521 1.697 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.909 1.031 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.569 -0.708 -0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.814 -0.713 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.375 -0.068 -1.406 1.00 0.00 H new ATOM 1251 N THR A 88 11.338 1.485 -6.050 1.00 0.00 N ATOM 1252 CA THR A 88 11.461 1.619 -7.491 1.00 0.00 C ATOM 1253 C THR A 88 10.153 2.136 -8.092 1.00 0.00 C ATOM 1254 O THR A 88 10.115 2.539 -9.254 1.00 0.00 O ATOM 1255 CB THR A 88 11.896 0.265 -8.056 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.732 -0.549 -7.944 1.00 0.00 O ATOM 1257 CG2 THR A 88 12.927 -0.436 -7.170 1.00 0.00 C ATOM 0 H THR A 88 11.150 0.537 -5.724 1.00 0.00 H new ATOM 0 HA THR A 88 12.218 2.357 -7.757 1.00 0.00 H new ATOM 0 HB THR A 88 12.311 0.406 -9.054 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.638 -0.860 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.201 -1.392 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.815 0.190 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.501 -0.607 -6.181 1.00 0.00 H new ATOM 1265 N ALA A 89 9.111 2.108 -7.274 1.00 0.00 N ATOM 1266 CA ALA A 89 7.804 2.569 -7.710 1.00 0.00 C ATOM 1267 C ALA A 89 7.913 4.017 -8.192 1.00 0.00 C ATOM 1268 O ALA A 89 8.622 4.823 -7.591 1.00 0.00 O ATOM 1269 CB ALA A 89 6.799 2.409 -6.568 1.00 0.00 C ATOM 0 H ALA A 89 9.146 1.773 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 89 7.445 1.969 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.818 2.755 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.737 1.359 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.125 2.999 -5.711 1.00 0.00 H new ATOM 1275 N LYS A 90 7.201 4.302 -9.272 1.00 0.00 N ATOM 1276 CA LYS A 90 7.209 5.639 -9.842 1.00 0.00 C ATOM 1277 C LYS A 90 5.873 6.323 -9.545 1.00 0.00 C ATOM 1278 O LYS A 90 4.854 5.656 -9.377 1.00 0.00 O ATOM 1279 CB LYS A 90 7.554 5.585 -11.331 1.00 0.00 C ATOM 1280 CG LYS A 90 9.051 5.811 -11.555 1.00 0.00 C ATOM 1281 CD LYS A 90 9.430 7.270 -11.296 1.00 0.00 C ATOM 1282 CE LYS A 90 10.942 7.472 -11.407 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.352 8.712 -10.710 1.00 0.00 N ATOM 0 H LYS A 90 6.615 3.630 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 90 7.988 6.245 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.263 4.618 -11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.984 6.343 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.624 5.160 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.315 5.539 -12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.920 7.914 -12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.092 7.566 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.462 6.617 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.232 7.525 -12.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.381 8.834 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.870 9.527 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.093 8.647 -9.705 1.00 0.00 H new ATOM 1297 N GLU A 91 5.921 7.646 -9.490 1.00 0.00 N ATOM 1298 CA GLU A 91 4.728 8.428 -9.217 1.00 0.00 C ATOM 1299 C GLU A 91 4.053 8.842 -10.526 1.00 0.00 C ATOM 1300 O GLU A 91 4.728 9.178 -11.497 1.00 0.00 O ATOM 1301 CB GLU A 91 5.058 9.652 -8.359 1.00 0.00 C ATOM 1302 CG GLU A 91 5.971 9.273 -7.192 1.00 0.00 C ATOM 1303 CD GLU A 91 6.728 10.496 -6.668 1.00 0.00 C ATOM 1304 OE1 GLU A 91 6.154 11.602 -6.765 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.862 10.296 -6.183 1.00 0.00 O ATOM 0 H GLU A 91 6.768 8.196 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 91 4.032 7.807 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.543 10.411 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.137 10.092 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.378 8.836 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.681 8.512 -7.514 1.00 0.00 H new ATOM 1312 N PRO A 92 2.693 8.803 -10.509 1.00 0.00 N ATOM 1313 CA PRO A 92 1.971 8.393 -9.317 1.00 0.00 C ATOM 1314 C PRO A 92 2.051 6.878 -9.120 1.00 0.00 C ATOM 1315 O PRO A 92 2.063 6.123 -10.091 1.00 0.00 O ATOM 1316 CB PRO A 92 0.550 8.891 -9.527 1.00 0.00 C ATOM 1317 CG PRO A 92 0.415 9.148 -11.019 1.00 0.00 C ATOM 1318 CD PRO A 92 1.811 9.147 -11.620 1.00 0.00 C ATOM 0 HA PRO A 92 2.395 8.812 -8.404 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.177 8.152 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.367 9.801 -8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.202 8.379 -11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.077 10.104 -11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.893 8.422 -12.430 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.063 10.122 -12.038 1.00 0.00 H new ATOM 1326 N ILE A 93 2.104 6.479 -7.858 1.00 0.00 N ATOM 1327 CA ILE A 93 2.183 5.068 -7.522 1.00 0.00 C ATOM 1328 C ILE A 93 0.779 4.542 -7.214 1.00 0.00 C ATOM 1329 O ILE A 93 0.180 4.916 -6.207 1.00 0.00 O ATOM 1330 CB ILE A 93 3.187 4.842 -6.390 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.513 5.545 -6.684 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.378 3.348 -6.117 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.252 5.886 -5.389 1.00 0.00 C ATOM 0 H ILE A 93 2.094 7.109 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 93 2.560 4.495 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 93 2.782 5.287 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.138 4.904 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.327 6.457 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.096 3.215 -5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.424 2.905 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.750 2.858 -7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.191 6.385 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.634 6.546 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.458 4.970 -4.835 1.00 0.00 H new ATOM 1345 N VAL A 94 0.296 3.683 -8.099 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.026 3.103 -7.934 1.00 0.00 C ATOM 1347 C VAL A 94 -0.934 1.894 -7.001 1.00 0.00 C ATOM 1348 O VAL A 94 -0.368 0.865 -7.365 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.621 2.758 -9.301 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.017 2.150 -9.154 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.651 3.988 -10.211 1.00 0.00 C ATOM 0 H VAL A 94 0.796 3.375 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.703 3.821 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.979 2.011 -9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.417 1.914 -10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.956 1.238 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.674 2.864 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.078 3.716 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.260 4.766 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.636 4.359 -10.355 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.501 2.059 -5.814 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.490 0.994 -4.825 1.00 0.00 C ATOM 1363 C VAL A 95 -2.926 0.538 -4.558 1.00 0.00 C ATOM 1364 O VAL A 95 -3.863 1.326 -4.675 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.766 1.461 -3.561 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.054 0.324 -2.948 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.115 2.677 -3.852 1.00 0.00 C ATOM 0 H VAL A 95 -1.971 2.914 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.939 0.131 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.520 1.760 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.559 0.682 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.608 -0.502 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.796 -0.019 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.618 2.989 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.859 2.416 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.504 3.494 -4.222 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.053 -0.733 -4.204 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.359 -1.303 -3.918 1.00 0.00 C ATOM 1379 C GLN A 96 -4.323 -2.079 -2.600 1.00 0.00 C ATOM 1380 O GLN A 96 -3.351 -2.776 -2.313 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.830 -2.196 -5.068 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.092 -2.968 -4.680 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.160 -2.856 -5.770 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.174 -2.195 -5.616 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -6.877 -3.536 -6.877 1.00 0.00 N ATOM 0 H GLN A 96 -2.273 -1.384 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.076 -0.488 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.029 -1.586 -5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.039 -2.896 -5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.845 -4.017 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.485 -2.581 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.010 -4.069 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.527 -3.524 -7.663 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.394 -1.932 -1.834 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.497 -2.611 -0.554 1.00 0.00 C ATOM 1396 C VAL A 97 -6.848 -3.323 -0.466 1.00 0.00 C ATOM 1397 O VAL A 97 -7.758 -3.034 -1.242 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.271 -1.615 0.586 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.788 -1.266 0.723 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.115 -0.354 0.387 1.00 0.00 C ATOM 0 H VAL A 97 -6.198 -1.353 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.722 -3.372 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.590 -2.089 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.655 -0.557 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.219 -2.172 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.432 -0.820 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.936 0.337 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.840 0.123 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.171 -0.623 0.362 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.936 -4.241 0.485 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.161 -4.997 0.684 1.00 0.00 C ATOM 1412 C LEU A 98 -8.792 -4.596 2.019 1.00 0.00 C ATOM 1413 O LEU A 98 -8.259 -4.912 3.081 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.891 -6.498 0.558 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.574 -7.207 -0.613 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -8.436 -6.394 -1.902 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -8.045 -8.633 -0.775 1.00 0.00 C ATOM 0 H LEU A 98 -6.179 -4.479 1.126 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.885 -4.760 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.815 -6.647 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.205 -6.982 1.483 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.639 -7.282 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.930 -6.920 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.899 -5.417 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.380 -6.265 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.547 -9.114 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.972 -8.604 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.239 -9.199 0.136 1.00 0.00 H new