USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 960 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= -2.31! C(o=-2.3!,f=-5!) USER MOD Single : A 13 ASN : amide:sc= -4.51! C(o=-4.5!,f=-8.2!) USER MOD Single : A 15 ASN : amide:sc= -0.572 K(o=-0.57,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 21 THR OG1 : rot 105:sc= 1.03 USER MOD Single : A 31 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 48 GLN : amide:sc= 0.0184 K(o=0.018,f=-4.4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 63 GLN : amide:sc= -0.986 K(o=-0.99,f=-4.4!) USER MOD Single : A 64 HIS : no HE2:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -5.95! C(o=-5.9!,f=-7.6!) USER MOD Single : A 81 THR OG1 : rot -90:sc= -1.14 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 105 MET CE :methyl 157:sc= -0.333 (180deg=-1.15) USER MOD Single : A 106 SER OG : rot 44:sc= 0.153 USER MOD Single : A 111 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.4!) USER MOD Single : A 119 ASN : amide:sc= -6.46! C(o=-6.5!,f=-7.1!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.076 -18.846 -0.373 1.00 0.00 N ATOM 43 CA LYS A 3 -5.304 -17.716 0.134 1.00 0.00 C ATOM 44 C LYS A 3 -5.471 -16.504 -0.777 1.00 0.00 C ATOM 45 O LYS A 3 -5.817 -16.647 -1.951 1.00 0.00 O ATOM 46 CB LYS A 3 -3.824 -18.088 0.244 1.00 0.00 C ATOM 47 CG LYS A 3 -2.977 -17.023 0.922 1.00 0.00 C ATOM 48 CD LYS A 3 -1.840 -17.640 1.724 1.00 0.00 C ATOM 49 CE LYS A 3 -0.500 -17.019 1.363 1.00 0.00 C ATOM 50 NZ LYS A 3 0.304 -17.908 0.480 1.00 0.00 N ATOM 0 HA LYS A 3 -5.678 -17.463 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.733 -19.021 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.429 -18.273 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.568 -16.348 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.604 -16.423 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.030 -17.504 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.805 -18.714 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.665 -16.064 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.060 -16.809 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.210 -17.448 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.484 -18.810 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.219 -18.088 -0.401 1.00 0.00 H new ATOM 64 N LEU A 4 -5.214 -15.314 -0.243 1.00 0.00 N ATOM 65 CA LEU A 4 -5.327 -14.087 -1.025 1.00 0.00 C ATOM 66 C LEU A 4 -4.288 -13.062 -0.565 1.00 0.00 C ATOM 67 O LEU A 4 -4.254 -12.690 0.606 1.00 0.00 O ATOM 68 CB LEU A 4 -6.741 -13.513 -0.905 1.00 0.00 C ATOM 69 CG LEU A 4 -7.134 -13.031 0.493 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.907 -11.535 0.619 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.585 -13.379 0.789 1.00 0.00 C ATOM 0 H LEU A 4 -4.927 -15.173 0.726 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.135 -14.321 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.837 -12.678 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.453 -14.275 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.505 -13.538 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.191 -11.207 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.854 -11.311 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.513 -11.011 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.847 -13.029 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.231 -12.899 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.718 -14.460 0.737 1.00 0.00 H new ATOM 83 N GLN A 5 -3.421 -12.632 -1.482 1.00 0.00 N ATOM 84 CA GLN A 5 -2.367 -11.677 -1.148 1.00 0.00 C ATOM 85 C GLN A 5 -2.678 -10.260 -1.620 1.00 0.00 C ATOM 86 O GLN A 5 -3.357 -10.048 -2.624 1.00 0.00 O ATOM 87 CB GLN A 5 -1.048 -12.120 -1.771 1.00 0.00 C ATOM 88 CG GLN A 5 -0.737 -13.584 -1.534 1.00 0.00 C ATOM 89 CD GLN A 5 0.669 -13.961 -1.960 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.373 -13.171 -2.588 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.084 -15.176 -1.621 1.00 0.00 N ATOM 0 H GLN A 5 -3.428 -12.929 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.298 -11.659 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.079 -11.931 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.239 -11.513 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.865 -13.811 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.454 -14.196 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.467 -15.799 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.020 -15.486 -1.882 1.00 0.00 H new ATOM 100 N ILE A 6 -2.135 -9.299 -0.885 1.00 0.00 N ATOM 101 CA ILE A 6 -2.277 -7.883 -1.185 1.00 0.00 C ATOM 102 C ILE A 6 -1.000 -7.173 -0.746 1.00 0.00 C ATOM 103 O ILE A 6 -0.461 -7.486 0.314 1.00 0.00 O ATOM 104 CB ILE A 6 -3.499 -7.261 -0.471 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.795 -7.813 -1.065 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.473 -5.744 -0.582 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.258 -9.097 -0.415 1.00 0.00 C ATOM 0 H ILE A 6 -1.576 -9.485 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.439 -7.764 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.453 -7.528 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.579 -7.062 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.652 -7.986 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.342 -5.327 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.563 -5.361 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.495 -5.456 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.182 -9.431 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.492 -9.863 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.434 -8.924 0.647 1.00 0.00 H new ATOM 119 N ALA A 7 -0.517 -6.204 -1.517 1.00 0.00 N ATOM 120 CA ALA A 7 0.678 -5.470 -1.132 1.00 0.00 C ATOM 121 C ALA A 7 0.340 -3.995 -1.129 1.00 0.00 C ATOM 122 O ALA A 7 -0.489 -3.576 -1.915 1.00 0.00 O ATOM 123 CB ALA A 7 1.822 -5.763 -2.096 1.00 0.00 C ATOM 0 H ALA A 7 -0.931 -5.913 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 7 1.005 -5.778 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.707 -5.205 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.044 -6.830 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.534 -5.464 -3.104 1.00 0.00 H new ATOM 129 N VAL A 8 0.943 -3.201 -0.259 1.00 0.00 N ATOM 130 CA VAL A 8 0.629 -1.780 -0.230 1.00 0.00 C ATOM 131 C VAL A 8 1.859 -0.951 0.097 1.00 0.00 C ATOM 132 O VAL A 8 2.816 -1.444 0.695 1.00 0.00 O ATOM 133 CB VAL A 8 -0.528 -1.464 0.750 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.710 -2.583 1.766 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.327 -0.130 1.457 1.00 0.00 C ATOM 0 H VAL A 8 1.638 -3.506 0.423 1.00 0.00 H new ATOM 0 HA VAL A 8 0.293 -1.507 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.437 -1.388 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.529 -2.333 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.939 -3.513 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.208 -2.706 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.161 0.052 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.603 -0.156 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.279 0.670 0.718 1.00 0.00 H new ATOM 145 N GLY A 9 1.835 0.309 -0.319 1.00 0.00 N ATOM 146 CA GLY A 9 2.968 1.174 -0.076 1.00 0.00 C ATOM 147 C GLY A 9 2.613 2.643 0.056 1.00 0.00 C ATOM 148 O GLY A 9 1.783 3.172 -0.681 1.00 0.00 O ATOM 0 H GLY A 9 1.057 0.743 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.469 0.850 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.682 1.056 -0.891 1.00 0.00 H new ATOM 152 N ILE A 10 3.309 3.301 0.968 1.00 0.00 N ATOM 153 CA ILE A 10 3.159 4.732 1.197 1.00 0.00 C ATOM 154 C ILE A 10 4.389 5.421 0.615 1.00 0.00 C ATOM 155 O ILE A 10 5.504 5.077 0.987 1.00 0.00 O ATOM 156 CB ILE A 10 3.027 5.073 2.704 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.177 3.819 3.575 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.690 5.748 2.982 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.614 3.392 3.774 1.00 0.00 C ATOM 0 H ILE A 10 3.998 2.857 1.575 1.00 0.00 H new ATOM 0 HA ILE A 10 2.244 5.077 0.716 1.00 0.00 H new ATOM 0 HB ILE A 10 3.832 5.761 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.724 4.006 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.623 3.000 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.614 5.981 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.620 6.669 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.878 5.078 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.645 2.500 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.066 3.173 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.168 4.195 4.260 1.00 0.00 H new ATOM 171 N ILE A 11 4.204 6.389 -0.283 1.00 0.00 N ATOM 172 CA ILE A 11 5.349 7.081 -0.882 1.00 0.00 C ATOM 173 C ILE A 11 5.823 8.237 -0.009 1.00 0.00 C ATOM 174 O ILE A 11 5.095 9.201 0.214 1.00 0.00 O ATOM 175 CB ILE A 11 5.040 7.610 -2.298 1.00 0.00 C ATOM 176 CG1 ILE A 11 4.025 6.714 -3.008 1.00 0.00 C ATOM 177 CG2 ILE A 11 6.318 7.703 -3.113 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.645 7.320 -3.065 1.00 0.00 C ATOM 0 H ILE A 11 3.291 6.708 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 11 6.142 6.337 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 11 4.606 8.605 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.371 6.515 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.974 5.754 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.087 8.077 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.014 8.383 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.772 6.715 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.969 6.638 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.282 7.494 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.685 8.267 -3.604 1.00 0.00 H new ATOM 190 N ARG A 12 7.020 8.088 0.550 1.00 0.00 N ATOM 191 CA ARG A 12 7.537 9.091 1.475 1.00 0.00 C ATOM 192 C ARG A 12 8.126 10.318 0.787 1.00 0.00 C ATOM 193 O ARG A 12 9.124 10.254 0.058 1.00 0.00 O ATOM 194 CB ARG A 12 8.597 8.471 2.377 1.00 0.00 C ATOM 195 CG ARG A 12 8.052 8.017 3.716 1.00 0.00 C ATOM 196 CD ARG A 12 8.051 9.150 4.730 1.00 0.00 C ATOM 197 NE ARG A 12 7.828 8.667 6.091 1.00 0.00 N ATOM 198 CZ ARG A 12 8.773 8.103 6.840 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.002 7.946 6.365 1.00 0.00 N ATOM 200 NH2 ARG A 12 8.487 7.694 8.068 1.00 0.00 N ATOM 0 H ARG A 12 7.641 7.297 0.383 1.00 0.00 H new ATOM 0 HA ARG A 12 6.680 9.432 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.045 7.618 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.393 9.197 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.037 7.641 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.653 7.190 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.003 9.678 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.275 9.869 4.469 1.00 0.00 H new ATOM 0 HE ARG A 12 6.895 8.768 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.227 8.258 5.421 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.721 7.513 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.544 7.812 8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.210 7.262 8.643 1.00 0.00 H new ATOM 214 N ASN A 13 7.409 11.417 1.030 1.00 0.00 N ATOM 215 CA ASN A 13 7.715 12.725 0.461 1.00 0.00 C ATOM 216 C ASN A 13 8.881 13.434 1.127 1.00 0.00 C ATOM 217 O ASN A 13 9.436 13.001 2.138 1.00 0.00 O ATOM 218 CB ASN A 13 6.509 13.643 0.511 1.00 0.00 C ATOM 219 CG ASN A 13 6.547 14.741 -0.533 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.176 14.595 -1.581 1.00 0.00 O ATOM 221 ND2 ASN A 13 5.872 15.850 -0.252 1.00 0.00 N ATOM 0 H ASN A 13 6.589 11.420 1.636 1.00 0.00 H new ATOM 0 HA ASN A 13 7.999 12.515 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.604 13.051 0.372 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.446 14.095 1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.862 16.623 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.364 15.928 0.629 1.00 0.00 H new ATOM 228 N GLU A 14 9.224 14.533 0.489 1.00 0.00 N ATOM 229 CA GLU A 14 10.325 15.395 0.905 1.00 0.00 C ATOM 230 C GLU A 14 10.166 15.852 2.346 1.00 0.00 C ATOM 231 O GLU A 14 11.100 15.778 3.145 1.00 0.00 O ATOM 232 CB GLU A 14 10.426 16.609 -0.019 1.00 0.00 C ATOM 233 CG GLU A 14 11.592 17.527 0.307 1.00 0.00 C ATOM 234 CD GLU A 14 12.161 18.206 -0.924 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.832 17.519 -1.724 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.936 19.423 -1.089 1.00 0.00 O ATOM 0 H GLU A 14 8.742 14.863 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 14 11.243 14.812 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.523 16.264 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.499 17.178 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.265 18.286 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.378 16.951 0.796 1.00 0.00 H new ATOM 243 N ASN A 15 8.988 16.348 2.653 1.00 0.00 N ATOM 244 CA ASN A 15 8.687 16.860 3.989 1.00 0.00 C ATOM 245 C ASN A 15 8.545 15.743 5.024 1.00 0.00 C ATOM 246 O ASN A 15 8.515 16.017 6.224 1.00 0.00 O ATOM 247 CB ASN A 15 7.411 17.701 3.952 1.00 0.00 C ATOM 248 CG ASN A 15 7.161 18.431 5.256 1.00 0.00 C ATOM 249 OD1 ASN A 15 8.091 18.713 6.012 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.898 18.744 5.527 1.00 0.00 N ATOM 0 H ASN A 15 8.211 16.412 1.995 1.00 0.00 H new ATOM 0 HA ASN A 15 9.530 17.480 4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.480 18.426 3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.561 17.056 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.669 19.237 6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.158 18.491 4.872 1.00 0.00 H new ATOM 257 N ASN A 16 8.426 14.496 4.557 1.00 0.00 N ATOM 258 CA ASN A 16 8.253 13.330 5.437 1.00 0.00 C ATOM 259 C ASN A 16 6.774 12.981 5.578 1.00 0.00 C ATOM 260 O ASN A 16 6.375 12.246 6.482 1.00 0.00 O ATOM 261 CB ASN A 16 8.877 13.549 6.813 1.00 0.00 C ATOM 262 CG ASN A 16 9.491 12.283 7.378 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.820 11.499 8.048 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.776 12.078 7.109 1.00 0.00 N ATOM 0 H ASN A 16 8.446 14.264 3.564 1.00 0.00 H new ATOM 0 HA ASN A 16 8.776 12.495 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.643 14.321 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.115 13.918 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.244 11.244 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.294 12.755 6.549 1.00 0.00 H new ATOM 271 N GLU A 17 5.975 13.489 4.645 1.00 0.00 N ATOM 272 CA GLU A 17 4.544 13.220 4.608 1.00 0.00 C ATOM 273 C GLU A 17 4.257 12.412 3.356 1.00 0.00 C ATOM 274 O GLU A 17 4.801 12.710 2.299 1.00 0.00 O ATOM 275 CB GLU A 17 3.740 14.526 4.597 1.00 0.00 C ATOM 276 CG GLU A 17 4.508 15.720 4.054 1.00 0.00 C ATOM 277 CD GLU A 17 3.612 16.913 3.778 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.487 16.948 4.319 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.036 17.811 3.022 1.00 0.00 O ATOM 0 H GLU A 17 6.302 14.098 3.895 1.00 0.00 H new ATOM 0 HA GLU A 17 4.247 12.665 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.841 14.382 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.414 14.748 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.279 16.007 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.017 15.432 3.134 1.00 0.00 H new ATOM 286 N ILE A 18 3.478 11.347 3.470 1.00 0.00 N ATOM 287 CA ILE A 18 3.239 10.482 2.326 1.00 0.00 C ATOM 288 C ILE A 18 1.875 10.680 1.685 1.00 0.00 C ATOM 289 O ILE A 18 0.839 10.619 2.348 1.00 0.00 O ATOM 290 CB ILE A 18 3.349 9.011 2.759 1.00 0.00 C ATOM 291 CG1 ILE A 18 4.759 8.701 3.261 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.961 8.084 1.621 1.00 0.00 C ATOM 293 CD1 ILE A 18 4.778 7.958 4.579 1.00 0.00 C ATOM 0 H ILE A 18 3.007 11.064 4.329 1.00 0.00 H new ATOM 0 HA ILE A 18 3.995 10.747 1.587 1.00 0.00 H new ATOM 0 HB ILE A 18 2.653 8.843 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.282 8.108 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.311 9.634 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.046 7.048 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.933 8.286 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.625 8.251 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.810 7.771 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.284 8.559 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.254 7.009 4.469 1.00 0.00 H new ATOM 305 N PHE A 19 1.899 10.916 0.378 1.00 0.00 N ATOM 306 CA PHE A 19 0.685 11.126 -0.388 1.00 0.00 C ATOM 307 C PHE A 19 -0.231 9.902 -0.318 1.00 0.00 C ATOM 308 O PHE A 19 -0.019 8.899 -1.003 1.00 0.00 O ATOM 309 CB PHE A 19 1.028 11.468 -1.851 1.00 0.00 C ATOM 310 CG PHE A 19 0.316 10.618 -2.873 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.060 10.686 -3.014 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.024 9.739 -3.676 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.717 9.898 -3.940 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.371 8.947 -4.602 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.999 9.027 -4.734 1.00 0.00 C ATOM 0 H PHE A 19 2.756 10.966 -0.173 1.00 0.00 H new ATOM 0 HA PHE A 19 0.148 11.968 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.784 12.515 -2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.103 11.362 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.627 11.363 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.097 9.672 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.790 9.964 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.934 8.265 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.510 8.409 -5.458 1.00 0.00 H new ATOM 325 N ILE A 20 -1.256 10.012 0.510 1.00 0.00 N ATOM 326 CA ILE A 20 -2.228 8.956 0.671 1.00 0.00 C ATOM 327 C ILE A 20 -3.536 9.386 0.010 1.00 0.00 C ATOM 328 O ILE A 20 -4.049 10.466 0.297 1.00 0.00 O ATOM 329 CB ILE A 20 -2.493 8.637 2.154 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.138 9.823 3.054 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.719 7.399 2.580 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.739 9.728 4.438 1.00 0.00 C ATOM 0 H ILE A 20 -1.433 10.835 1.086 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.831 8.055 0.203 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.559 8.441 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.054 9.892 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.479 10.744 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.919 7.189 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.031 6.548 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.652 7.571 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.447 10.601 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.826 9.690 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.378 8.825 4.930 1.00 0.00 H new ATOM 344 N THR A 21 -4.070 8.560 -0.885 1.00 0.00 N ATOM 345 CA THR A 21 -5.309 8.910 -1.574 1.00 0.00 C ATOM 346 C THR A 21 -6.491 8.861 -0.616 1.00 0.00 C ATOM 347 O THR A 21 -6.881 7.793 -0.152 1.00 0.00 O ATOM 348 CB THR A 21 -5.555 7.972 -2.756 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.876 8.123 -3.246 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.359 6.510 -2.419 1.00 0.00 C ATOM 0 H THR A 21 -3.673 7.658 -1.148 1.00 0.00 H new ATOM 0 HA THR A 21 -5.207 9.928 -1.951 1.00 0.00 H new ATOM 0 HB THR A 21 -4.816 8.256 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.857 8.620 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.550 5.904 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.335 6.348 -2.083 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.050 6.223 -1.627 1.00 0.00 H new ATOM 358 N ARG A 22 -7.054 10.032 -0.324 1.00 0.00 N ATOM 359 CA ARG A 22 -8.190 10.133 0.585 1.00 0.00 C ATOM 360 C ARG A 22 -9.399 10.751 -0.108 1.00 0.00 C ATOM 361 O ARG A 22 -9.358 11.900 -0.546 1.00 0.00 O ATOM 362 CB ARG A 22 -7.814 10.971 1.808 1.00 0.00 C ATOM 363 CG ARG A 22 -8.655 10.668 3.037 1.00 0.00 C ATOM 364 CD ARG A 22 -9.421 11.894 3.509 1.00 0.00 C ATOM 365 NE ARG A 22 -8.582 12.794 4.298 1.00 0.00 N ATOM 366 CZ ARG A 22 -8.869 14.075 4.518 1.00 0.00 C ATOM 367 NH1 ARG A 22 -9.973 14.612 4.010 1.00 0.00 N ATOM 368 NH2 ARG A 22 -8.052 14.822 5.246 1.00 0.00 N ATOM 0 H ARG A 22 -6.740 10.924 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.454 9.124 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.764 10.800 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.917 12.027 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.357 9.866 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.011 10.310 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.815 12.430 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.277 11.579 4.106 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.725 12.418 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.606 14.042 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.188 15.594 4.182 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.203 14.415 5.638 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.272 15.804 5.414 1.00 0.00 H new ATOM 493 N ASN A 31 -13.984 6.393 2.206 1.00 0.00 N ATOM 494 CA ASN A 31 -13.207 5.421 2.967 1.00 0.00 C ATOM 495 C ASN A 31 -12.112 4.799 2.104 1.00 0.00 C ATOM 496 O ASN A 31 -11.742 3.641 2.295 1.00 0.00 O ATOM 497 CB ASN A 31 -14.123 4.326 3.517 1.00 0.00 C ATOM 498 CG ASN A 31 -13.773 3.941 4.942 1.00 0.00 C ATOM 499 OD1 ASN A 31 -12.599 3.832 5.297 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.792 3.735 5.767 1.00 0.00 N ATOM 0 HA ASN A 31 -12.734 5.943 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.157 4.668 3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.056 3.445 2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.618 3.475 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.749 3.836 5.430 1.00 0.00 H new ATOM 507 N LYS A 32 -11.600 5.574 1.153 1.00 0.00 N ATOM 508 CA LYS A 32 -10.551 5.097 0.258 1.00 0.00 C ATOM 509 C LYS A 32 -9.193 5.662 0.648 1.00 0.00 C ATOM 510 O LYS A 32 -8.298 5.791 -0.187 1.00 0.00 O ATOM 511 CB LYS A 32 -10.876 5.453 -1.193 1.00 0.00 C ATOM 512 CG LYS A 32 -10.485 4.370 -2.188 1.00 0.00 C ATOM 513 CD LYS A 32 -11.677 3.504 -2.569 1.00 0.00 C ATOM 514 CE LYS A 32 -11.519 2.081 -2.059 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.822 1.363 -2.004 1.00 0.00 N ATOM 0 H LYS A 32 -11.895 6.535 0.982 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.505 4.012 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.945 5.646 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.363 6.378 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.068 4.831 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.703 3.745 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.589 3.939 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.788 3.493 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.832 1.537 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.072 2.099 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.671 0.396 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.470 1.867 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.237 1.323 -2.957 1.00 0.00 H new ATOM 529 N LEU A 33 -9.051 5.993 1.921 1.00 0.00 N ATOM 530 CA LEU A 33 -7.805 6.548 2.446 1.00 0.00 C ATOM 531 C LEU A 33 -6.703 5.487 2.491 1.00 0.00 C ATOM 532 O LEU A 33 -6.115 5.233 3.541 1.00 0.00 O ATOM 533 CB LEU A 33 -8.043 7.123 3.847 1.00 0.00 C ATOM 534 CG LEU A 33 -6.825 7.775 4.507 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.112 8.699 3.533 1.00 0.00 C ATOM 536 CD2 LEU A 33 -7.245 8.536 5.757 1.00 0.00 C ATOM 0 H LEU A 33 -9.788 5.887 2.619 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.476 7.345 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.841 7.863 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.400 6.322 4.494 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.129 6.987 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.250 9.151 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.778 8.127 2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.796 9.483 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.369 8.994 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.961 9.312 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.706 7.847 6.465 1.00 0.00 H new ATOM 548 N GLU A 34 -6.425 4.869 1.343 1.00 0.00 N ATOM 549 CA GLU A 34 -5.400 3.834 1.262 1.00 0.00 C ATOM 550 C GLU A 34 -4.263 4.248 0.333 1.00 0.00 C ATOM 551 O GLU A 34 -4.281 5.332 -0.247 1.00 0.00 O ATOM 552 CB GLU A 34 -6.011 2.516 0.783 1.00 0.00 C ATOM 553 CG GLU A 34 -5.504 1.300 1.541 1.00 0.00 C ATOM 554 CD GLU A 34 -5.616 0.021 0.734 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.667 -0.647 0.821 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.651 -0.313 0.013 1.00 0.00 O ATOM 0 H GLU A 34 -6.895 5.068 0.460 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.988 3.696 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.095 2.570 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.795 2.389 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.462 1.459 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.069 1.192 2.467 1.00 0.00 H new ATOM 563 N PHE A 35 -3.267 3.377 0.214 1.00 0.00 N ATOM 564 CA PHE A 35 -2.104 3.642 -0.626 1.00 0.00 C ATOM 565 C PHE A 35 -1.969 2.586 -1.731 1.00 0.00 C ATOM 566 O PHE A 35 -2.642 1.556 -1.701 1.00 0.00 O ATOM 567 CB PHE A 35 -0.817 3.685 0.217 1.00 0.00 C ATOM 568 CG PHE A 35 -1.026 3.614 1.708 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.941 4.440 2.343 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.298 2.718 2.474 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.126 4.370 3.710 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.480 2.643 3.841 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.395 3.470 4.460 1.00 0.00 C ATOM 0 H PHE A 35 -3.242 2.476 0.692 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.251 4.616 -1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.176 2.856 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.280 4.604 -0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.516 5.146 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.421 2.070 1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.842 5.019 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.093 1.938 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.539 3.413 5.529 1.00 0.00 H new ATOM 583 N PRO A 36 -1.077 2.827 -2.715 1.00 0.00 N ATOM 584 CA PRO A 36 -0.825 1.901 -3.828 1.00 0.00 C ATOM 585 C PRO A 36 -0.666 0.461 -3.346 1.00 0.00 C ATOM 586 O PRO A 36 -0.579 0.216 -2.143 1.00 0.00 O ATOM 587 CB PRO A 36 0.491 2.405 -4.448 1.00 0.00 C ATOM 588 CG PRO A 36 0.980 3.494 -3.549 1.00 0.00 C ATOM 589 CD PRO A 36 -0.225 4.017 -2.824 1.00 0.00 C ATOM 0 HA PRO A 36 -1.655 1.886 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.222 1.600 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.328 2.778 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.722 3.114 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.461 4.285 -4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.035 4.420 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.716 4.817 -3.378 1.00 0.00 H new ATOM 597 N GLY A 37 -0.654 -0.494 -4.278 1.00 0.00 N ATOM 598 CA GLY A 37 -0.533 -1.888 -3.889 1.00 0.00 C ATOM 599 C GLY A 37 -1.834 -2.666 -3.957 1.00 0.00 C ATOM 600 O GLY A 37 -2.323 -3.202 -2.963 1.00 0.00 O ATOM 0 H GLY A 37 -0.725 -0.328 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.201 -2.371 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.145 -1.938 -2.871 1.00 0.00 H new ATOM 604 N GLY A 38 -2.374 -2.722 -5.149 1.00 0.00 N ATOM 605 CA GLY A 38 -3.608 -3.442 -5.399 1.00 0.00 C ATOM 606 C GLY A 38 -3.502 -4.335 -6.625 1.00 0.00 C ATOM 607 O GLY A 38 -3.301 -3.837 -7.734 1.00 0.00 O ATOM 0 H GLY A 38 -1.976 -2.273 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.858 -4.048 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.422 -2.731 -5.537 1.00 0.00 H new ATOM 611 N LYS A 39 -3.628 -5.659 -6.423 1.00 0.00 N ATOM 612 CA LYS A 39 -3.542 -6.644 -7.507 1.00 0.00 C ATOM 613 C LYS A 39 -2.127 -7.199 -7.648 1.00 0.00 C ATOM 614 O LYS A 39 -1.746 -7.692 -8.710 1.00 0.00 O ATOM 615 CB LYS A 39 -4.005 -6.067 -8.849 1.00 0.00 C ATOM 616 CG LYS A 39 -4.041 -7.099 -9.962 1.00 0.00 C ATOM 617 CD LYS A 39 -5.260 -6.924 -10.854 1.00 0.00 C ATOM 618 CE LYS A 39 -6.333 -7.954 -10.542 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.963 -7.717 -9.214 1.00 0.00 N ATOM 0 H LYS A 39 -3.792 -6.072 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.215 -7.457 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.999 -5.637 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.339 -5.254 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.136 -7.017 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.047 -8.100 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.667 -5.922 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.963 -7.012 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.099 -7.926 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.895 -8.952 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.689 -8.441 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.237 -7.769 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.404 -6.775 -9.202 1.00 0.00 H new ATOM 633 N ILE A 40 -1.356 -7.145 -6.567 1.00 0.00 N ATOM 634 CA ILE A 40 0.005 -7.675 -6.584 1.00 0.00 C ATOM 635 C ILE A 40 -0.045 -9.191 -6.597 1.00 0.00 C ATOM 636 O ILE A 40 0.800 -9.863 -7.188 1.00 0.00 O ATOM 637 CB ILE A 40 0.860 -7.173 -5.389 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.990 -8.235 -4.280 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.277 -5.886 -4.830 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.404 -8.397 -3.764 1.00 0.00 C ATOM 0 H ILE A 40 -1.646 -6.744 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 40 0.490 -7.308 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 40 1.864 -6.977 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.337 -7.964 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.639 -9.193 -4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.886 -5.544 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.269 -5.122 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.742 -6.067 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.422 -9.160 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.058 -8.698 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.752 -7.450 -3.351 1.00 0.00 H new ATOM 652 N GLU A 41 -1.061 -9.704 -5.926 1.00 0.00 N ATOM 653 CA GLU A 41 -1.289 -11.136 -5.811 1.00 0.00 C ATOM 654 C GLU A 41 -1.181 -11.822 -7.171 1.00 0.00 C ATOM 655 O GLU A 41 -0.113 -12.305 -7.541 1.00 0.00 O ATOM 656 CB GLU A 41 -2.665 -11.392 -5.186 1.00 0.00 C ATOM 657 CG GLU A 41 -3.727 -10.368 -5.586 1.00 0.00 C ATOM 658 CD GLU A 41 -5.013 -11.015 -6.063 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.248 -12.194 -5.721 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.787 -10.343 -6.779 1.00 0.00 O ATOM 0 H GLU A 41 -1.756 -9.136 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.519 -11.559 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.006 -12.386 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.566 -11.393 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.944 -9.723 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.331 -9.730 -6.376 1.00 0.00 H new ATOM 667 N MET A 42 -2.290 -11.855 -7.909 1.00 0.00 N ATOM 668 CA MET A 42 -2.325 -12.480 -9.232 1.00 0.00 C ATOM 669 C MET A 42 -1.572 -13.815 -9.242 1.00 0.00 C ATOM 670 O MET A 42 -2.157 -14.866 -8.981 1.00 0.00 O ATOM 671 CB MET A 42 -1.739 -11.531 -10.282 1.00 0.00 C ATOM 672 CG MET A 42 -2.602 -10.310 -10.546 1.00 0.00 C ATOM 673 SD MET A 42 -2.562 -9.790 -12.272 1.00 0.00 S ATOM 674 CE MET A 42 -0.883 -9.180 -12.402 1.00 0.00 C ATOM 0 H MET A 42 -3.180 -11.455 -7.612 1.00 0.00 H new ATOM 0 HA MET A 42 -3.367 -12.684 -9.478 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.752 -11.204 -9.954 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.600 -12.076 -11.216 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.631 -10.529 -10.260 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.264 -9.488 -9.915 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.704 -8.822 -13.416 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.738 -8.362 -11.697 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.185 -9.985 -12.173 1.00 0.00 H new ATOM 684 N GLY A 43 -0.276 -13.765 -9.544 1.00 0.00 N ATOM 685 CA GLY A 43 0.525 -14.975 -9.579 1.00 0.00 C ATOM 686 C GLY A 43 2.004 -14.693 -9.736 1.00 0.00 C ATOM 687 O GLY A 43 2.746 -15.508 -10.284 1.00 0.00 O ATOM 0 H GLY A 43 0.232 -12.908 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.363 -15.540 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.190 -15.604 -10.404 1.00 0.00 H new ATOM 691 N GLU A 44 2.425 -13.537 -9.257 1.00 0.00 N ATOM 692 CA GLU A 44 3.823 -13.132 -9.345 1.00 0.00 C ATOM 693 C GLU A 44 4.615 -13.642 -8.144 1.00 0.00 C ATOM 694 O GLU A 44 4.122 -14.458 -7.364 1.00 0.00 O ATOM 695 CB GLU A 44 3.918 -11.609 -9.435 1.00 0.00 C ATOM 696 CG GLU A 44 4.130 -11.096 -10.849 1.00 0.00 C ATOM 697 CD GLU A 44 3.089 -11.615 -11.820 1.00 0.00 C ATOM 698 OE1 GLU A 44 1.989 -11.995 -11.364 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.372 -11.643 -13.036 1.00 0.00 O ATOM 0 H GLU A 44 1.818 -12.856 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 44 4.254 -13.571 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.005 -11.172 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.740 -11.267 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.105 -10.006 -10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.121 -11.390 -11.193 1.00 0.00 H new ATOM 706 N THR A 45 5.846 -13.156 -7.995 1.00 0.00 N ATOM 707 CA THR A 45 6.698 -13.562 -6.886 1.00 0.00 C ATOM 708 C THR A 45 6.589 -12.559 -5.742 1.00 0.00 C ATOM 709 O THR A 45 6.091 -11.450 -5.929 1.00 0.00 O ATOM 710 CB THR A 45 8.154 -13.678 -7.351 1.00 0.00 C ATOM 711 OG1 THR A 45 8.278 -13.327 -8.718 1.00 0.00 O ATOM 712 CG2 THR A 45 8.728 -15.067 -7.181 1.00 0.00 C ATOM 0 H THR A 45 6.273 -12.481 -8.630 1.00 0.00 H new ATOM 0 HA THR A 45 6.366 -14.537 -6.529 1.00 0.00 H new ATOM 0 HB THR A 45 8.712 -12.990 -6.716 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.215 -13.407 -8.992 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.761 -15.079 -7.529 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.697 -15.347 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.141 -15.777 -7.763 1.00 0.00 H new ATOM 720 N PRO A 46 7.061 -12.926 -4.539 1.00 0.00 N ATOM 721 CA PRO A 46 7.018 -12.045 -3.372 1.00 0.00 C ATOM 722 C PRO A 46 7.523 -10.642 -3.694 1.00 0.00 C ATOM 723 O PRO A 46 7.130 -9.667 -3.053 1.00 0.00 O ATOM 724 CB PRO A 46 7.941 -12.736 -2.353 1.00 0.00 C ATOM 725 CG PRO A 46 8.618 -13.836 -3.103 1.00 0.00 C ATOM 726 CD PRO A 46 7.681 -14.213 -4.208 1.00 0.00 C ATOM 0 HA PRO A 46 6.001 -11.906 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.669 -12.034 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.371 -13.129 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.578 -13.506 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.818 -14.687 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.208 -14.643 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.945 -14.949 -3.885 1.00 0.00 H new ATOM 734 N GLU A 47 8.395 -10.549 -4.693 1.00 0.00 N ATOM 735 CA GLU A 47 8.955 -9.268 -5.102 1.00 0.00 C ATOM 736 C GLU A 47 8.324 -8.771 -6.402 1.00 0.00 C ATOM 737 O GLU A 47 7.940 -7.608 -6.508 1.00 0.00 O ATOM 738 CB GLU A 47 10.471 -9.385 -5.272 1.00 0.00 C ATOM 739 CG GLU A 47 11.251 -9.036 -4.014 1.00 0.00 C ATOM 740 CD GLU A 47 12.500 -9.881 -3.851 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.387 -11.124 -3.898 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.592 -9.299 -3.676 1.00 0.00 O ATOM 0 H GLU A 47 8.729 -11.347 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 47 8.733 -8.543 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.717 -10.404 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.790 -8.728 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.530 -7.983 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.609 -9.171 -3.143 1.00 0.00 H new ATOM 749 N GLN A 48 8.227 -9.654 -7.394 1.00 0.00 N ATOM 750 CA GLN A 48 7.658 -9.296 -8.692 1.00 0.00 C ATOM 751 C GLN A 48 6.143 -9.103 -8.626 1.00 0.00 C ATOM 752 O GLN A 48 5.523 -8.710 -9.615 1.00 0.00 O ATOM 753 CB GLN A 48 8.003 -10.361 -9.734 1.00 0.00 C ATOM 754 CG GLN A 48 9.470 -10.758 -9.737 1.00 0.00 C ATOM 755 CD GLN A 48 10.388 -9.596 -10.063 1.00 0.00 C ATOM 756 OE1 GLN A 48 10.610 -9.273 -11.229 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.928 -8.962 -9.029 1.00 0.00 N ATOM 0 H GLN A 48 8.535 -10.624 -7.324 1.00 0.00 H new ATOM 0 HA GLN A 48 8.098 -8.343 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.396 -11.247 -9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.734 -9.990 -10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.735 -11.163 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.626 -11.554 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.716 -9.264 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.555 -8.173 -9.185 1.00 0.00 H new ATOM 766 N ALA A 49 5.550 -9.363 -7.467 1.00 0.00 N ATOM 767 CA ALA A 49 4.114 -9.192 -7.303 1.00 0.00 C ATOM 768 C ALA A 49 3.779 -7.724 -7.077 1.00 0.00 C ATOM 769 O ALA A 49 2.962 -7.142 -7.791 1.00 0.00 O ATOM 770 CB ALA A 49 3.606 -10.040 -6.146 1.00 0.00 C ATOM 0 H ALA A 49 6.038 -9.691 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 49 3.618 -9.524 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.530 -9.900 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.817 -11.091 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.106 -9.737 -5.226 1.00 0.00 H new ATOM 776 N VAL A 50 4.442 -7.126 -6.095 1.00 0.00 N ATOM 777 CA VAL A 50 4.242 -5.715 -5.794 1.00 0.00 C ATOM 778 C VAL A 50 5.023 -4.830 -6.763 1.00 0.00 C ATOM 779 O VAL A 50 4.545 -3.775 -7.166 1.00 0.00 O ATOM 780 CB VAL A 50 4.626 -5.348 -4.344 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.892 -6.069 -3.910 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.786 -3.839 -4.207 1.00 0.00 C ATOM 0 H VAL A 50 5.121 -7.595 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 50 3.173 -5.535 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 50 3.821 -5.673 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.136 -5.790 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.734 -7.146 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.714 -5.789 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.057 -3.594 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.570 -3.493 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.846 -3.349 -4.461 1.00 0.00 H new ATOM 792 N VAL A 51 6.231 -5.258 -7.121 1.00 0.00 N ATOM 793 CA VAL A 51 7.074 -4.483 -8.027 1.00 0.00 C ATOM 794 C VAL A 51 6.301 -4.085 -9.281 1.00 0.00 C ATOM 795 O VAL A 51 6.494 -2.995 -9.820 1.00 0.00 O ATOM 796 CB VAL A 51 8.351 -5.257 -8.423 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.101 -4.544 -9.542 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.254 -5.439 -7.212 1.00 0.00 C ATOM 0 H VAL A 51 6.646 -6.132 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 51 7.375 -3.582 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 51 8.052 -6.239 -8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.995 -5.111 -9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.457 -4.464 -10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.388 -3.546 -9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.150 -5.986 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.537 -4.462 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.723 -5.999 -6.443 1.00 0.00 H new ATOM 808 N ARG A 52 5.420 -4.967 -9.733 1.00 0.00 N ATOM 809 CA ARG A 52 4.616 -4.693 -10.916 1.00 0.00 C ATOM 810 C ARG A 52 3.498 -3.707 -10.590 1.00 0.00 C ATOM 811 O ARG A 52 3.082 -2.916 -11.437 1.00 0.00 O ATOM 812 CB ARG A 52 4.035 -5.990 -11.483 1.00 0.00 C ATOM 813 CG ARG A 52 4.719 -6.456 -12.759 1.00 0.00 C ATOM 814 CD ARG A 52 6.081 -7.067 -12.470 1.00 0.00 C ATOM 815 NE ARG A 52 7.170 -6.137 -12.758 1.00 0.00 N ATOM 816 CZ ARG A 52 8.453 -6.399 -12.519 1.00 0.00 C ATOM 817 NH1 ARG A 52 8.812 -7.561 -11.989 1.00 0.00 N ATOM 818 NH2 ARG A 52 9.380 -5.496 -12.810 1.00 0.00 N ATOM 0 H ARG A 52 5.244 -5.874 -9.301 1.00 0.00 H new ATOM 0 HA ARG A 52 5.261 -4.244 -11.671 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.116 -6.774 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.973 -5.846 -11.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.090 -7.189 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.834 -5.613 -13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.129 -7.368 -11.424 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.208 -7.970 -13.068 1.00 0.00 H new ATOM 0 HE ARG A 52 6.933 -5.233 -13.167 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.103 -8.259 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.797 -7.757 -11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.110 -4.601 -13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.363 -5.697 -12.627 1.00 0.00 H new ATOM 832 N GLU A 53 3.054 -3.734 -9.341 1.00 0.00 N ATOM 833 CA GLU A 53 2.025 -2.813 -8.875 1.00 0.00 C ATOM 834 C GLU A 53 2.653 -1.460 -8.559 1.00 0.00 C ATOM 835 O GLU A 53 2.055 -0.409 -8.775 1.00 0.00 O ATOM 836 CB GLU A 53 1.312 -3.375 -7.643 1.00 0.00 C ATOM 837 CG GLU A 53 -0.143 -3.728 -7.903 1.00 0.00 C ATOM 838 CD GLU A 53 -0.298 -4.806 -8.957 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.552 -5.720 -9.003 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.269 -4.736 -9.739 1.00 0.00 O ATOM 0 H GLU A 53 3.390 -4.384 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 53 1.283 -2.686 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.840 -4.265 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.363 -2.644 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.604 -4.063 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.680 -2.834 -8.220 1.00 0.00 H new ATOM 847 N LEU A 54 3.850 -1.521 -7.983 1.00 0.00 N ATOM 848 CA LEU A 54 4.550 -0.317 -7.562 1.00 0.00 C ATOM 849 C LEU A 54 4.512 0.694 -8.694 1.00 0.00 C ATOM 850 O LEU A 54 4.161 1.855 -8.493 1.00 0.00 O ATOM 851 CB LEU A 54 5.996 -0.647 -7.195 1.00 0.00 C ATOM 852 CG LEU A 54 6.514 0.047 -5.937 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.531 -0.919 -4.763 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.899 0.628 -6.180 1.00 0.00 C ATOM 0 H LEU A 54 4.352 -2.389 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 54 4.062 0.101 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.084 -1.725 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.639 -0.377 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 54 5.839 0.867 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.903 -0.407 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.520 -1.282 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.182 -1.762 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.252 1.119 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.587 -0.173 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.851 1.355 -6.991 1.00 0.00 H new ATOM 866 N GLN A 55 4.857 0.241 -9.887 1.00 0.00 N ATOM 867 CA GLN A 55 4.841 1.112 -11.057 1.00 0.00 C ATOM 868 C GLN A 55 3.402 1.389 -11.478 1.00 0.00 C ATOM 869 O GLN A 55 2.998 2.535 -11.656 1.00 0.00 O ATOM 870 CB GLN A 55 5.615 0.470 -12.211 1.00 0.00 C ATOM 871 CG GLN A 55 6.528 1.439 -12.944 1.00 0.00 C ATOM 872 CD GLN A 55 6.521 1.225 -14.445 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.269 0.400 -14.969 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.672 1.969 -15.144 1.00 0.00 N ATOM 0 H GLN A 55 5.150 -0.718 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 55 5.323 2.055 -10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.212 -0.355 -11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.906 0.044 -12.921 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.218 2.461 -12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.546 1.327 -12.570 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.070 2.641 -14.667 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.621 1.869 -16.158 1.00 0.00 H new ATOM 883 N GLU A 56 2.634 0.321 -11.628 1.00 0.00 N ATOM 884 CA GLU A 56 1.232 0.429 -12.019 1.00 0.00 C ATOM 885 C GLU A 56 0.485 1.407 -11.115 1.00 0.00 C ATOM 886 O GLU A 56 -0.505 2.013 -11.525 1.00 0.00 O ATOM 887 CB GLU A 56 0.559 -0.943 -11.950 1.00 0.00 C ATOM 888 CG GLU A 56 -0.479 -1.173 -13.038 1.00 0.00 C ATOM 889 CD GLU A 56 -1.810 -1.649 -12.485 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.849 -2.752 -11.896 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.811 -0.920 -12.639 1.00 0.00 O ATOM 0 H GLU A 56 2.957 -0.636 -11.485 1.00 0.00 H new ATOM 0 HA GLU A 56 1.196 0.803 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.324 -1.716 -12.021 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.082 -1.055 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.631 -0.247 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.100 -1.910 -13.746 1.00 0.00 H new ATOM 898 N GLU A 57 0.953 1.537 -9.877 1.00 0.00 N ATOM 899 CA GLU A 57 0.316 2.421 -8.906 1.00 0.00 C ATOM 900 C GLU A 57 1.152 3.671 -8.602 1.00 0.00 C ATOM 901 O GLU A 57 0.799 4.451 -7.717 1.00 0.00 O ATOM 902 CB GLU A 57 0.016 1.662 -7.609 1.00 0.00 C ATOM 903 CG GLU A 57 -0.668 0.312 -7.810 1.00 0.00 C ATOM 904 CD GLU A 57 -1.594 0.276 -9.013 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.242 1.303 -9.296 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.675 -0.785 -9.666 1.00 0.00 O ATOM 0 H GLU A 57 1.771 1.041 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.617 2.761 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.950 1.505 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.616 2.285 -6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.094 -0.459 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.239 0.066 -6.915 1.00 0.00 H new ATOM 913 N VAL A 58 2.250 3.872 -9.334 1.00 0.00 N ATOM 914 CA VAL A 58 3.102 5.042 -9.119 1.00 0.00 C ATOM 915 C VAL A 58 3.454 5.700 -10.448 1.00 0.00 C ATOM 916 O VAL A 58 3.382 6.921 -10.589 1.00 0.00 O ATOM 917 CB VAL A 58 4.402 4.668 -8.372 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.329 5.865 -8.258 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.089 4.122 -6.993 1.00 0.00 C ATOM 0 H VAL A 58 2.567 3.246 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 58 2.539 5.743 -8.503 1.00 0.00 H new ATOM 0 HB VAL A 58 4.907 3.894 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.236 5.574 -7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.589 6.220 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.828 6.662 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.018 3.865 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.556 4.877 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.468 3.231 -7.087 1.00 0.00 H new ATOM 929 N GLY A 59 3.806 4.876 -11.427 1.00 0.00 N ATOM 930 CA GLY A 59 4.134 5.368 -12.751 1.00 0.00 C ATOM 931 C GLY A 59 5.450 6.107 -12.839 1.00 0.00 C ATOM 932 O GLY A 59 6.205 5.934 -13.796 1.00 0.00 O ATOM 0 H GLY A 59 3.871 3.863 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.159 4.525 -13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.337 6.031 -13.086 1.00 0.00 H new ATOM 936 N ILE A 60 5.717 6.936 -11.857 1.00 0.00 N ATOM 937 CA ILE A 60 6.940 7.720 -11.829 1.00 0.00 C ATOM 938 C ILE A 60 8.130 6.878 -11.395 1.00 0.00 C ATOM 939 O ILE A 60 8.010 5.672 -11.180 1.00 0.00 O ATOM 940 CB ILE A 60 6.842 8.945 -10.892 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.825 8.741 -9.775 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.519 10.202 -11.682 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.248 9.378 -8.468 1.00 0.00 C ATOM 0 H ILE A 60 5.101 7.089 -11.058 1.00 0.00 H new ATOM 0 HA ILE A 60 7.084 8.072 -12.851 1.00 0.00 H new ATOM 0 HB ILE A 60 7.818 9.064 -10.422 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.866 9.158 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.673 7.673 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.455 11.052 -11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.305 10.382 -12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.566 10.074 -12.195 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.484 9.199 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.192 8.943 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.373 10.451 -8.610 1.00 0.00 H new ATOM 955 N THR A 61 9.282 7.531 -11.280 1.00 0.00 N ATOM 956 CA THR A 61 10.504 6.877 -10.883 1.00 0.00 C ATOM 957 C THR A 61 10.948 7.372 -9.512 1.00 0.00 C ATOM 958 O THR A 61 11.678 8.359 -9.408 1.00 0.00 O ATOM 959 CB THR A 61 11.570 7.206 -11.909 1.00 0.00 C ATOM 960 OG1 THR A 61 11.356 8.499 -12.450 1.00 0.00 O ATOM 961 CG2 THR A 61 11.611 6.232 -13.062 1.00 0.00 C ATOM 0 H THR A 61 9.385 8.529 -11.462 1.00 0.00 H new ATOM 0 HA THR A 61 10.345 5.800 -10.826 1.00 0.00 H new ATOM 0 HB THR A 61 12.517 7.149 -11.373 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.053 8.697 -13.109 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.396 6.526 -13.759 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.817 5.230 -12.685 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.650 6.236 -13.576 1.00 0.00 H new ATOM 969 N PRO A 62 10.481 6.727 -8.435 1.00 0.00 N ATOM 970 CA PRO A 62 10.783 7.122 -7.079 1.00 0.00 C ATOM 971 C PRO A 62 11.678 6.143 -6.338 1.00 0.00 C ATOM 972 O PRO A 62 11.559 4.931 -6.521 1.00 0.00 O ATOM 973 CB PRO A 62 9.384 7.044 -6.496 1.00 0.00 C ATOM 974 CG PRO A 62 8.819 5.794 -7.102 1.00 0.00 C ATOM 975 CD PRO A 62 9.550 5.591 -8.416 1.00 0.00 C ATOM 0 HA PRO A 62 11.314 8.072 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.406 6.988 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.791 7.920 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.965 4.940 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.746 5.891 -7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.074 4.636 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.869 5.609 -9.267 1.00 0.00 H new ATOM 983 N GLN A 63 12.519 6.654 -5.443 1.00 0.00 N ATOM 984 CA GLN A 63 13.338 5.773 -4.637 1.00 0.00 C ATOM 985 C GLN A 63 12.404 5.171 -3.605 1.00 0.00 C ATOM 986 O GLN A 63 12.305 5.639 -2.471 1.00 0.00 O ATOM 987 CB GLN A 63 14.484 6.530 -3.966 1.00 0.00 C ATOM 988 CG GLN A 63 15.183 7.510 -4.891 1.00 0.00 C ATOM 989 CD GLN A 63 16.181 8.389 -4.164 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.968 8.770 -3.013 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.280 8.715 -4.834 1.00 0.00 N ATOM 0 H GLN A 63 12.646 7.650 -5.264 1.00 0.00 H new ATOM 0 HA GLN A 63 13.808 5.004 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.096 7.070 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.214 5.812 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.697 6.958 -5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.438 8.139 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.416 8.377 -5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.989 9.304 -4.396 1.00 0.00 H new ATOM 1000 N HIS A 64 11.674 4.169 -4.057 1.00 0.00 N ATOM 1001 CA HIS A 64 10.665 3.507 -3.249 1.00 0.00 C ATOM 1002 C HIS A 64 10.967 2.024 -3.125 1.00 0.00 C ATOM 1003 O HIS A 64 11.234 1.351 -4.120 1.00 0.00 O ATOM 1004 CB HIS A 64 9.305 3.753 -3.920 1.00 0.00 C ATOM 1005 CG HIS A 64 8.178 2.834 -3.523 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.858 3.238 -3.541 1.00 0.00 N ATOM 1007 CD2 HIS A 64 8.159 1.532 -3.132 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.082 2.232 -3.178 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.846 1.188 -2.925 1.00 0.00 N ATOM 0 H HIS A 64 11.764 3.789 -4.999 1.00 0.00 H new ATOM 0 HA HIS A 64 10.656 3.908 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.000 4.777 -3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.440 3.680 -4.999 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.532 4.170 -3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.017 0.888 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.005 2.260 -3.102 1.00 0.00 H new ATOM 1018 N PHE A 65 10.934 1.518 -1.896 1.00 0.00 N ATOM 1019 CA PHE A 65 11.215 0.122 -1.650 1.00 0.00 C ATOM 1020 C PHE A 65 11.165 -0.187 -0.154 1.00 0.00 C ATOM 1021 O PHE A 65 10.788 0.659 0.648 1.00 0.00 O ATOM 1022 CB PHE A 65 12.600 -0.192 -2.185 1.00 0.00 C ATOM 1023 CG PHE A 65 12.703 -1.474 -2.976 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.741 -2.470 -2.864 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.767 -1.675 -3.842 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.840 -3.635 -3.600 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.870 -2.840 -4.579 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.906 -3.821 -4.458 1.00 0.00 C ATOM 0 H PHE A 65 10.715 2.060 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 65 10.463 -0.489 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.925 0.634 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.294 -0.244 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.906 -2.332 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.525 -0.912 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.084 -4.400 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.705 -2.983 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.985 -4.732 -5.033 1.00 0.00 H new ATOM 1038 N SER A 66 11.550 -1.410 0.201 1.00 0.00 N ATOM 1039 CA SER A 66 11.566 -1.866 1.590 1.00 0.00 C ATOM 1040 C SER A 66 10.154 -2.126 2.087 1.00 0.00 C ATOM 1041 O SER A 66 9.189 -1.609 1.530 1.00 0.00 O ATOM 1042 CB SER A 66 12.277 -0.856 2.498 1.00 0.00 C ATOM 1043 OG SER A 66 13.680 -1.052 2.476 1.00 0.00 O ATOM 0 H SER A 66 11.861 -2.115 -0.467 1.00 0.00 H new ATOM 0 HA SER A 66 12.124 -2.802 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.043 0.158 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.908 -0.957 3.519 1.00 0.00 H new ATOM 0 HG SER A 66 14.111 -0.395 3.061 1.00 0.00 H new ATOM 1049 N LEU A 67 10.041 -2.939 3.133 1.00 0.00 N ATOM 1050 CA LEU A 67 8.741 -3.277 3.697 1.00 0.00 C ATOM 1051 C LEU A 67 8.640 -2.842 5.152 1.00 0.00 C ATOM 1052 O LEU A 67 9.428 -3.273 5.994 1.00 0.00 O ATOM 1053 CB LEU A 67 8.494 -4.785 3.588 1.00 0.00 C ATOM 1054 CG LEU A 67 9.307 -5.648 4.556 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.476 -6.012 5.777 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.810 -6.904 3.860 1.00 0.00 C ATOM 0 H LEU A 67 10.833 -3.375 3.606 1.00 0.00 H new ATOM 0 HA LEU A 67 7.980 -2.743 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.434 -4.977 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.717 -5.101 2.569 1.00 0.00 H new ATOM 0 HG LEU A 67 10.169 -5.070 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.072 -6.626 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.166 -5.102 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.594 -6.570 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.386 -7.505 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.961 -7.484 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.444 -6.625 3.019 1.00 0.00 H new ATOM 1068 N PHE A 68 7.673 -1.976 5.445 1.00 0.00 N ATOM 1069 CA PHE A 68 7.489 -1.484 6.800 1.00 0.00 C ATOM 1070 C PHE A 68 6.846 -2.563 7.666 1.00 0.00 C ATOM 1071 O PHE A 68 7.178 -2.708 8.842 1.00 0.00 O ATOM 1072 CB PHE A 68 6.631 -0.204 6.780 1.00 0.00 C ATOM 1073 CG PHE A 68 5.400 -0.244 7.651 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.311 -1.028 7.302 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.332 0.509 8.813 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.180 -1.062 8.095 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.202 0.480 9.608 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.124 -0.306 9.249 1.00 0.00 C ATOM 0 H PHE A 68 7.010 -1.605 4.764 1.00 0.00 H new ATOM 0 HA PHE A 68 8.460 -1.239 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.252 0.635 7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.324 -0.007 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.347 -1.619 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.171 1.125 9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.340 -1.680 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.162 1.072 10.510 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.240 -0.329 9.869 1.00 0.00 H new ATOM 1088 N GLU A 69 5.928 -3.321 7.075 1.00 0.00 N ATOM 1089 CA GLU A 69 5.244 -4.391 7.787 1.00 0.00 C ATOM 1090 C GLU A 69 4.408 -5.226 6.823 1.00 0.00 C ATOM 1091 O GLU A 69 4.087 -4.787 5.723 1.00 0.00 O ATOM 1092 CB GLU A 69 4.353 -3.813 8.887 1.00 0.00 C ATOM 1093 CG GLU A 69 4.246 -4.703 10.114 1.00 0.00 C ATOM 1094 CD GLU A 69 3.337 -4.121 11.180 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.313 -3.506 10.815 1.00 0.00 O ATOM 1096 OE2 GLU A 69 3.649 -4.281 12.379 1.00 0.00 O ATOM 0 H GLU A 69 5.641 -3.212 6.102 1.00 0.00 H new ATOM 0 HA GLU A 69 5.996 -5.034 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.745 -2.841 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.355 -3.644 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.870 -5.682 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.240 -4.857 10.534 1.00 0.00 H new ATOM 1103 N LYS A 70 4.048 -6.429 7.243 1.00 0.00 N ATOM 1104 CA LYS A 70 3.231 -7.317 6.421 1.00 0.00 C ATOM 1105 C LYS A 70 2.274 -8.085 7.328 1.00 0.00 C ATOM 1106 O LYS A 70 2.700 -8.612 8.358 1.00 0.00 O ATOM 1107 CB LYS A 70 4.093 -8.311 5.623 1.00 0.00 C ATOM 1108 CG LYS A 70 5.561 -7.923 5.491 1.00 0.00 C ATOM 1109 CD LYS A 70 6.437 -8.723 6.443 1.00 0.00 C ATOM 1110 CE LYS A 70 6.158 -8.366 7.894 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.998 -9.161 8.833 1.00 0.00 N ATOM 0 H LYS A 70 4.308 -6.816 8.150 1.00 0.00 H new ATOM 0 HA LYS A 70 2.678 -6.710 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.032 -9.289 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.669 -8.418 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.891 -8.088 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.677 -6.859 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.263 -9.788 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.487 -8.535 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.346 -7.304 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.105 -8.539 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.778 -8.888 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.800 -10.174 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.003 -8.977 8.640 1.00 0.00 H new ATOM 1125 N LEU A 71 0.989 -8.146 6.983 1.00 0.00 N ATOM 1126 CA LEU A 71 0.047 -8.851 7.832 1.00 0.00 C ATOM 1127 C LEU A 71 -0.272 -10.255 7.319 1.00 0.00 C ATOM 1128 O LEU A 71 -0.835 -10.440 6.240 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.247 -8.043 7.957 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.404 -8.775 8.642 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.611 -8.249 10.054 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.680 -8.646 7.823 1.00 0.00 C ATOM 0 H LEU A 71 0.590 -7.726 6.144 1.00 0.00 H new ATOM 0 HA LEU A 71 0.518 -8.962 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.035 -7.130 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.567 -7.742 6.960 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.149 -9.833 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.438 -8.782 10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.703 -8.403 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.841 -7.184 10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.490 -9.173 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.941 -7.593 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.524 -9.080 6.835 1.00 0.00 H new ATOM 1144 N GLU A 72 0.134 -11.230 8.118 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.058 -12.623 7.780 1.00 0.00 C ATOM 1146 C GLU A 72 -1.022 -13.306 8.745 1.00 0.00 C ATOM 1147 O GLU A 72 -0.693 -13.572 9.901 1.00 0.00 O ATOM 1148 CB GLU A 72 1.292 -13.334 7.779 1.00 0.00 C ATOM 1149 CG GLU A 72 1.176 -14.820 7.547 1.00 0.00 C ATOM 1150 CD GLU A 72 2.511 -15.534 7.615 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.002 -15.769 8.739 1.00 0.00 O ATOM 1152 OE2 GLU A 72 3.068 -15.856 6.544 1.00 0.00 O ATOM 0 H GLU A 72 0.602 -11.075 9.011 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.501 -12.680 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.925 -12.899 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.789 -13.159 8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.503 -15.247 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.725 -14.996 6.570 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.217 -13.594 8.232 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.261 -14.261 9.000 1.00 0.00 C ATOM 1161 C TYR A 73 -4.033 -15.233 8.110 1.00 0.00 C ATOM 1162 O TYR A 73 -4.425 -14.883 6.997 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.218 -13.231 9.604 1.00 0.00 C ATOM 1164 CG TYR A 73 -4.898 -13.703 10.869 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.154 -14.119 11.966 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.283 -13.731 10.966 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -4.773 -14.550 13.124 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -6.909 -14.160 12.121 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.150 -14.569 13.197 1.00 0.00 C ATOM 1170 OH TYR A 73 -6.769 -14.997 14.348 1.00 0.00 O ATOM 0 H TYR A 73 -2.486 -13.371 7.274 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.792 -14.821 9.809 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.665 -12.316 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.979 -12.978 8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.075 -14.105 11.913 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.881 -13.412 10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.181 -14.871 13.968 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.987 -14.175 12.180 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.741 -14.947 14.235 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.254 -16.447 8.598 1.00 0.00 N ATOM 1181 CA GLU A 74 -4.989 -17.445 7.822 1.00 0.00 C ATOM 1182 C GLU A 74 -6.298 -17.824 8.499 1.00 0.00 C ATOM 1183 O GLU A 74 -6.314 -18.485 9.538 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.147 -18.699 7.578 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.293 -19.107 8.765 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.085 -19.929 8.360 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.274 -20.987 7.722 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -0.951 -19.516 8.679 1.00 0.00 O ATOM 0 H GLU A 74 -3.941 -16.764 9.515 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.217 -16.989 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.810 -19.525 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.499 -18.528 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.959 -18.213 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.900 -19.681 9.464 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.393 -17.402 7.885 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.725 -17.682 8.384 1.00 0.00 C ATOM 1197 C PHE A 75 -9.189 -19.059 7.908 1.00 0.00 C ATOM 1198 O PHE A 75 -8.610 -19.619 6.978 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.690 -16.598 7.906 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.910 -15.486 8.897 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.001 -15.744 10.257 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.029 -14.175 8.461 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.204 -14.718 11.159 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.233 -13.145 9.359 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.321 -13.418 10.710 1.00 0.00 C ATOM 0 H PHE A 75 -7.380 -16.854 7.025 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.707 -17.684 9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.309 -16.172 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.650 -17.059 7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.912 -16.759 10.615 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.961 -13.956 7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.271 -14.933 12.215 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.323 -12.129 9.005 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.481 -12.615 11.414 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.235 -19.622 8.546 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.796 -20.931 8.217 1.00 0.00 C ATOM 1217 C PRO A 76 -10.709 -21.270 6.732 1.00 0.00 C ATOM 1218 O PRO A 76 -11.681 -21.131 5.991 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.263 -20.813 8.663 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.373 -19.515 9.413 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.971 -19.021 9.648 1.00 0.00 C ATOM 0 HA PRO A 76 -10.246 -21.734 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.933 -20.823 7.803 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.545 -21.653 9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.947 -18.787 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.894 -19.660 10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.916 -17.933 9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.585 -19.341 10.616 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.527 -21.718 6.320 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.255 -22.098 4.930 1.00 0.00 C ATOM 1231 C ASP A 77 -8.841 -20.891 4.090 1.00 0.00 C ATOM 1232 O ASP A 77 -7.865 -20.953 3.343 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.470 -22.786 4.293 1.00 0.00 C ATOM 1234 CG ASP A 77 -11.102 -23.812 5.212 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.351 -24.571 5.860 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.348 -23.859 5.283 1.00 0.00 O ATOM 0 H ASP A 77 -8.725 -21.830 6.940 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.425 -22.804 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.213 -22.033 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.164 -23.272 3.366 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.586 -19.799 4.214 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.290 -18.585 3.461 1.00 0.00 C ATOM 1243 C ARG A 78 -8.287 -17.709 4.206 1.00 0.00 C ATOM 1244 O ARG A 78 -8.632 -17.061 5.192 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.576 -17.798 3.202 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.649 -17.190 1.811 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.894 -16.334 1.642 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.788 -15.066 2.359 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.819 -14.254 2.588 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -14.033 -14.575 2.158 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.637 -13.120 3.250 1.00 0.00 N ATOM 0 H ARG A 78 -10.398 -19.729 4.827 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.849 -18.878 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.431 -18.458 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.660 -17.002 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.762 -16.583 1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.648 -17.985 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.058 -16.139 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.763 -16.883 2.003 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.870 -14.786 2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.180 -15.447 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.819 -13.950 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.707 -12.868 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.427 -12.499 3.425 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.045 -17.686 3.729 1.00 0.00 N ATOM 1266 CA HIS A 79 -6.000 -16.884 4.351 1.00 0.00 C ATOM 1267 C HIS A 79 -5.768 -15.603 3.564 1.00 0.00 C ATOM 1268 O HIS A 79 -6.026 -15.548 2.361 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.696 -17.680 4.448 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.895 -19.139 4.722 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -6.022 -19.643 5.337 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -4.104 -20.207 4.458 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -5.915 -20.956 5.442 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -4.761 -21.323 4.916 1.00 0.00 N ATOM 0 H HIS A 79 -6.739 -18.215 2.912 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.328 -16.623 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.143 -17.568 3.516 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.079 -17.253 5.238 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.137 -20.185 3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.647 -21.616 5.883 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.414 -22.280 4.859 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.263 -14.576 4.239 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.980 -13.310 3.602 1.00 0.00 C ATOM 1285 C ILE A 80 -3.556 -12.879 3.932 1.00 0.00 C ATOM 1286 O ILE A 80 -3.065 -13.124 5.035 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.965 -12.218 4.061 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.519 -10.858 3.539 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.065 -12.197 5.579 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.589 -9.791 3.626 1.00 0.00 C ATOM 0 H ILE A 80 -5.042 -14.604 5.234 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.092 -13.440 2.526 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.951 -12.443 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.646 -10.531 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.206 -10.962 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.765 -11.420 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.419 -13.165 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.083 -11.991 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.198 -8.851 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.455 -10.095 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.886 -9.657 4.666 1.00 0.00 H new ATOM 1302 N THR A 81 -2.897 -12.236 2.980 1.00 0.00 N ATOM 1303 CA THR A 81 -1.535 -11.774 3.182 1.00 0.00 C ATOM 1304 C THR A 81 -1.397 -10.327 2.725 1.00 0.00 C ATOM 1305 O THR A 81 -1.615 -10.014 1.555 1.00 0.00 O ATOM 1306 CB THR A 81 -0.561 -12.668 2.414 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.257 -13.673 1.696 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.449 -13.359 3.299 1.00 0.00 C ATOM 0 H THR A 81 -3.284 -12.023 2.061 1.00 0.00 H new ATOM 0 HA THR A 81 -1.298 -11.827 4.245 1.00 0.00 H new ATOM 0 HB THR A 81 -0.030 -11.995 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.357 -14.468 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.107 -13.976 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.041 -12.612 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.071 -13.989 4.021 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.044 -9.446 3.653 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.891 -8.033 3.333 1.00 0.00 C ATOM 1318 C LEU A 82 0.561 -7.590 3.480 1.00 0.00 C ATOM 1319 O LEU A 82 1.108 -7.584 4.576 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.792 -7.190 4.246 1.00 0.00 C ATOM 1321 CG LEU A 82 -2.713 -6.189 3.535 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -2.047 -5.622 2.290 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -4.040 -6.843 3.184 1.00 0.00 C ATOM 0 H LEU A 82 -0.859 -9.683 4.628 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.187 -7.885 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.409 -7.865 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.159 -6.641 4.943 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.905 -5.362 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.722 -4.916 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.127 -5.110 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.815 -6.433 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.681 -6.119 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.864 -7.692 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.528 -7.187 4.096 1.00 0.00 H new ATOM 1335 N TRP A 83 1.183 -7.222 2.367 1.00 0.00 N ATOM 1336 CA TRP A 83 2.576 -6.782 2.386 1.00 0.00 C ATOM 1337 C TRP A 83 2.667 -5.262 2.286 1.00 0.00 C ATOM 1338 O TRP A 83 2.176 -4.673 1.330 1.00 0.00 O ATOM 1339 CB TRP A 83 3.357 -7.419 1.232 1.00 0.00 C ATOM 1340 CG TRP A 83 3.057 -8.875 1.014 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.395 -9.720 1.859 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.417 -9.656 -0.132 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.323 -10.977 1.309 1.00 0.00 N ATOM 1344 CE2 TRP A 83 2.941 -10.963 0.088 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.093 -9.378 -1.322 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.121 -11.987 -0.838 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.270 -10.395 -2.241 1.00 0.00 C ATOM 1348 CH2 TRP A 83 3.786 -11.685 -1.994 1.00 0.00 C ATOM 0 H TRP A 83 0.750 -7.219 1.444 1.00 0.00 H new ATOM 0 HA TRP A 83 3.013 -7.100 3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.137 -6.873 0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.424 -7.304 1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.988 -9.441 2.819 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.881 -11.789 1.741 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.471 -8.386 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.749 -12.983 -0.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 4.790 -10.191 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.941 -12.458 -2.732 1.00 0.00 H new ATOM 1359 N PHE A 84 3.313 -4.629 3.265 1.00 0.00 N ATOM 1360 CA PHE A 84 3.470 -3.176 3.247 1.00 0.00 C ATOM 1361 C PHE A 84 4.928 -2.808 2.960 1.00 0.00 C ATOM 1362 O PHE A 84 5.843 -3.352 3.578 1.00 0.00 O ATOM 1363 CB PHE A 84 3.007 -2.539 4.570 1.00 0.00 C ATOM 1364 CG PHE A 84 1.516 -2.596 4.798 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.811 -3.769 4.576 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.817 -1.475 5.235 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.552 -3.825 4.783 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.548 -1.530 5.442 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.234 -2.706 5.216 1.00 0.00 C ATOM 0 H PHE A 84 3.731 -5.093 4.071 1.00 0.00 H new ATOM 0 HA PHE A 84 2.838 -2.781 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.509 -3.042 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.326 -1.497 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.335 -4.650 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.347 -0.551 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.086 -4.747 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.078 -0.652 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.301 -2.750 5.377 1.00 0.00 H new ATOM 1379 N TRP A 85 5.141 -1.891 2.014 1.00 0.00 N ATOM 1380 CA TRP A 85 6.495 -1.469 1.649 1.00 0.00 C ATOM 1381 C TRP A 85 6.773 -0.037 2.103 1.00 0.00 C ATOM 1382 O TRP A 85 5.985 0.868 1.830 1.00 0.00 O ATOM 1383 CB TRP A 85 6.693 -1.594 0.139 1.00 0.00 C ATOM 1384 CG TRP A 85 6.530 -2.999 -0.351 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.357 -3.634 -0.636 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.574 -3.947 -0.601 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.606 -4.920 -1.049 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.961 -5.136 -1.037 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.968 -3.905 -0.501 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.692 -6.272 -1.371 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.693 -5.034 -0.833 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.055 -6.204 -1.264 1.00 0.00 C ATOM 0 H TRP A 85 4.398 -1.429 1.490 1.00 0.00 H new ATOM 0 HA TRP A 85 7.202 -2.123 2.159 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.977 -0.950 -0.372 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.688 -1.235 -0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.376 -3.191 -0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.899 -5.603 -1.320 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.469 -3.007 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.201 -7.175 -1.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.770 -5.014 -0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.650 -7.069 -1.517 1.00 0.00 H new ATOM 1403 N LEU A 86 7.881 0.164 2.828 1.00 0.00 N ATOM 1404 CA LEU A 86 8.194 1.500 3.332 1.00 0.00 C ATOM 1405 C LEU A 86 9.022 2.326 2.342 1.00 0.00 C ATOM 1406 O LEU A 86 10.238 2.183 2.238 1.00 0.00 O ATOM 1407 CB LEU A 86 8.936 1.399 4.668 1.00 0.00 C ATOM 1408 CG LEU A 86 10.366 0.862 4.581 1.00 0.00 C ATOM 1409 CD1 LEU A 86 11.373 1.994 4.721 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.606 -0.201 5.644 1.00 0.00 C ATOM 0 H LEU A 86 8.556 -0.561 3.072 1.00 0.00 H new ATOM 0 HA LEU A 86 7.244 2.016 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.964 2.388 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.363 0.755 5.335 1.00 0.00 H new ATOM 0 HG LEU A 86 10.499 0.403 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.384 1.592 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.219 2.719 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.238 2.484 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.629 -0.570 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.452 0.232 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.910 -1.027 5.496 1.00 0.00 H new ATOM 1422 N VAL A 87 8.321 3.196 1.627 1.00 0.00 N ATOM 1423 CA VAL A 87 8.911 4.081 0.622 1.00 0.00 C ATOM 1424 C VAL A 87 9.747 5.179 1.236 1.00 0.00 C ATOM 1425 O VAL A 87 9.474 5.647 2.340 1.00 0.00 O ATOM 1426 CB VAL A 87 7.849 4.724 -0.251 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.478 5.484 -1.410 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.888 3.659 -0.747 1.00 0.00 C ATOM 0 H VAL A 87 7.313 3.311 1.728 1.00 0.00 H new ATOM 0 HA VAL A 87 9.554 3.443 0.016 1.00 0.00 H new ATOM 0 HB VAL A 87 7.293 5.449 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.694 5.934 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.130 6.266 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.062 4.796 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.125 4.121 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.436 2.917 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.412 3.173 0.105 1.00 0.00 H new ATOM 1438 N GLU A 88 10.786 5.568 0.514 1.00 0.00 N ATOM 1439 CA GLU A 88 11.669 6.606 1.018 1.00 0.00 C ATOM 1440 C GLU A 88 11.693 7.900 0.186 1.00 0.00 C ATOM 1441 O GLU A 88 12.019 8.959 0.724 1.00 0.00 O ATOM 1442 CB GLU A 88 13.090 6.064 1.178 1.00 0.00 C ATOM 1443 CG GLU A 88 13.783 5.772 -0.143 1.00 0.00 C ATOM 1444 CD GLU A 88 15.291 5.688 -0.004 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.853 6.444 0.816 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.909 4.867 -0.714 1.00 0.00 O ATOM 0 H GLU A 88 11.034 5.191 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 88 11.253 6.887 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.684 6.786 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.057 5.150 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.406 4.832 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.531 6.552 -0.862 1.00 0.00 H new ATOM 1453 N ARG A 89 11.382 7.841 -1.108 1.00 0.00 N ATOM 1454 CA ARG A 89 11.420 9.049 -1.933 1.00 0.00 C ATOM 1455 C ARG A 89 10.665 8.848 -3.244 1.00 0.00 C ATOM 1456 O ARG A 89 10.376 7.716 -3.631 1.00 0.00 O ATOM 1457 CB ARG A 89 12.891 9.445 -2.179 1.00 0.00 C ATOM 1458 CG ARG A 89 13.161 10.226 -3.462 1.00 0.00 C ATOM 1459 CD ARG A 89 12.906 11.715 -3.276 1.00 0.00 C ATOM 1460 NE ARG A 89 12.781 12.412 -4.554 1.00 0.00 N ATOM 1461 CZ ARG A 89 12.501 13.709 -4.666 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.306 14.450 -3.583 1.00 0.00 N ATOM 1463 NH2 ARG A 89 12.418 14.267 -5.867 1.00 0.00 N ATOM 0 H ARG A 89 11.107 6.991 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 89 10.919 9.861 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.234 10.042 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 89 13.495 8.537 -2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.194 10.069 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.526 9.845 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.995 11.857 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.722 12.154 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 89 12.916 11.874 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.370 14.027 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.092 15.443 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.569 13.703 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.204 15.260 -5.954 1.00 0.00 H new ATOM 1477 N TRP A 90 10.368 9.947 -3.938 1.00 0.00 N ATOM 1478 CA TRP A 90 9.673 9.866 -5.215 1.00 0.00 C ATOM 1479 C TRP A 90 9.928 11.101 -6.076 1.00 0.00 C ATOM 1480 O TRP A 90 9.711 12.231 -5.641 1.00 0.00 O ATOM 1481 CB TRP A 90 8.174 9.624 -4.992 1.00 0.00 C ATOM 1482 CG TRP A 90 7.328 10.854 -4.873 1.00 0.00 C ATOM 1483 CD1 TRP A 90 7.061 11.772 -5.849 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.604 11.277 -3.715 1.00 0.00 C ATOM 1485 NE1 TRP A 90 6.219 12.743 -5.363 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.922 12.460 -4.056 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.469 10.769 -2.420 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 5.112 13.141 -3.151 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.664 11.447 -1.523 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.993 12.620 -1.892 1.00 0.00 C ATOM 0 H TRP A 90 10.597 10.894 -3.638 1.00 0.00 H new ATOM 0 HA TRP A 90 10.073 9.015 -5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.795 9.023 -5.819 1.00 0.00 H new ATOM 0 HB3 TRP A 90 8.051 9.032 -4.085 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.454 11.739 -6.854 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.872 13.544 -5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.983 9.866 -2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.597 14.047 -3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.551 11.065 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.369 13.123 -1.168 1.00 0.00 H new ATOM 1501 N GLU A 91 10.401 10.871 -7.305 1.00 0.00 N ATOM 1502 CA GLU A 91 10.695 11.961 -8.228 1.00 0.00 C ATOM 1503 C GLU A 91 9.418 12.490 -8.872 1.00 0.00 C ATOM 1504 O GLU A 91 8.456 11.746 -9.070 1.00 0.00 O ATOM 1505 CB GLU A 91 11.671 11.489 -9.307 1.00 0.00 C ATOM 1506 CG GLU A 91 12.038 12.567 -10.314 1.00 0.00 C ATOM 1507 CD GLU A 91 12.699 12.004 -11.557 1.00 0.00 C ATOM 1508 OE1 GLU A 91 11.969 11.576 -12.475 1.00 0.00 O ATOM 1509 OE2 GLU A 91 13.947 11.990 -11.611 1.00 0.00 O ATOM 0 H GLU A 91 10.587 9.940 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 91 11.154 12.772 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.581 11.127 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.232 10.644 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.139 13.112 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.710 13.285 -9.843 1.00 0.00 H new ATOM 1516 N GLY A 92 9.415 13.779 -9.198 1.00 0.00 N ATOM 1517 CA GLY A 92 8.252 14.386 -9.817 1.00 0.00 C ATOM 1518 C GLY A 92 6.998 14.221 -8.982 1.00 0.00 C ATOM 1519 O GLY A 92 6.956 14.639 -7.825 1.00 0.00 O ATOM 0 H GLY A 92 10.198 14.414 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.442 15.448 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.092 13.940 -10.799 1.00 0.00 H new ATOM 1523 N GLU A 93 5.975 13.610 -9.569 1.00 0.00 N ATOM 1524 CA GLU A 93 4.716 13.388 -8.870 1.00 0.00 C ATOM 1525 C GLU A 93 4.250 11.944 -9.037 1.00 0.00 C ATOM 1526 O GLU A 93 4.404 11.356 -10.107 1.00 0.00 O ATOM 1527 CB GLU A 93 3.643 14.347 -9.392 1.00 0.00 C ATOM 1528 CG GLU A 93 2.300 14.195 -8.695 1.00 0.00 C ATOM 1529 CD GLU A 93 1.153 14.760 -9.511 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.403 15.655 -10.345 1.00 0.00 O ATOM 1531 OE2 GLU A 93 0.006 14.308 -9.315 1.00 0.00 O ATOM 0 H GLU A 93 5.993 13.260 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 93 4.878 13.579 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.993 15.372 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.509 14.182 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.115 13.139 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.337 14.699 -7.729 1.00 0.00 H new ATOM 1538 N PRO A 94 3.661 11.350 -7.982 1.00 0.00 N ATOM 1539 CA PRO A 94 3.161 9.977 -8.018 1.00 0.00 C ATOM 1540 C PRO A 94 1.847 9.887 -8.771 1.00 0.00 C ATOM 1541 O PRO A 94 0.933 10.674 -8.525 1.00 0.00 O ATOM 1542 CB PRO A 94 2.956 9.618 -6.537 1.00 0.00 C ATOM 1543 CG PRO A 94 3.482 10.780 -5.756 1.00 0.00 C ATOM 1544 CD PRO A 94 3.412 11.962 -6.676 1.00 0.00 C ATOM 0 HA PRO A 94 3.847 9.303 -8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.902 9.446 -6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.488 8.702 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.887 10.948 -4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.506 10.599 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.440 12.453 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.160 12.715 -6.430 1.00 0.00 H new ATOM 1552 N TRP A 95 1.744 8.936 -9.693 1.00 0.00 N ATOM 1553 CA TRP A 95 0.518 8.793 -10.459 1.00 0.00 C ATOM 1554 C TRP A 95 0.116 7.340 -10.656 1.00 0.00 C ATOM 1555 O TRP A 95 -0.946 6.912 -10.201 1.00 0.00 O ATOM 1556 CB TRP A 95 0.645 9.475 -11.826 1.00 0.00 C ATOM 1557 CG TRP A 95 1.897 9.131 -12.599 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.098 9.773 -12.532 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.066 8.077 -13.567 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.996 9.204 -13.408 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.385 8.166 -14.055 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.231 7.073 -14.071 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.882 7.296 -15.025 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.728 6.209 -15.028 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.041 6.328 -15.500 1.00 0.00 C ATOM 0 H TRP A 95 2.479 8.267 -9.923 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.264 9.280 -9.876 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.222 9.207 -12.430 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.611 10.555 -11.681 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.315 10.609 -11.884 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.959 9.507 -13.551 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.215 6.975 -13.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.895 7.384 -15.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.093 5.428 -15.419 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.397 5.642 -16.254 1.00 0.00 H new ATOM 1576 N GLY A 96 0.958 6.594 -11.354 1.00 0.00 N ATOM 1577 CA GLY A 96 0.669 5.197 -11.631 1.00 0.00 C ATOM 1578 C GLY A 96 -0.777 4.964 -12.035 1.00 0.00 C ATOM 1579 O GLY A 96 -1.169 5.251 -13.165 1.00 0.00 O ATOM 0 H GLY A 96 1.842 6.930 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.325 4.846 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.895 4.602 -10.746 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.565 4.443 -11.098 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.979 4.164 -11.332 1.00 0.00 C ATOM 1585 C LYS A 97 -3.597 3.480 -10.116 1.00 0.00 C ATOM 1586 O LYS A 97 -4.429 2.582 -10.251 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.156 3.274 -12.568 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.433 3.556 -13.344 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.013 2.284 -13.944 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.513 2.191 -13.713 1.00 0.00 C ATOM 1591 NZ LYS A 97 -7.261 3.217 -14.490 1.00 0.00 N ATOM 0 H LYS A 97 -1.244 4.203 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.487 5.113 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.301 3.412 -13.230 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.153 2.229 -12.257 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.168 4.016 -12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.226 4.273 -14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.807 2.258 -15.014 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.522 1.416 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.862 1.197 -13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.725 2.315 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.280 3.119 -14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.947 4.166 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.080 3.084 -15.505 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.179 3.904 -8.924 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.684 3.325 -7.683 1.00 0.00 C ATOM 1607 C GLU A 98 -5.206 3.404 -7.614 1.00 0.00 C ATOM 1608 O GLU A 98 -5.859 2.494 -7.101 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.059 4.030 -6.475 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.514 5.469 -6.297 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.212 6.008 -4.912 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.935 5.196 -4.005 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.255 7.244 -4.734 1.00 0.00 O ATOM 0 H GLU A 98 -2.492 4.646 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.402 2.272 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.302 3.468 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.974 4.013 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.024 6.096 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.586 5.533 -6.482 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.771 4.490 -8.137 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.214 4.643 -8.119 1.00 0.00 C ATOM 1622 C GLY A 99 -7.665 6.092 -8.091 1.00 0.00 C ATOM 1623 O GLY A 99 -8.393 6.536 -8.979 1.00 0.00 O ATOM 0 H GLY A 99 -5.260 5.260 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.635 4.156 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.616 4.128 -7.247 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.254 6.827 -7.062 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.649 8.226 -6.926 1.00 0.00 C ATOM 1629 C GLN A 100 -6.492 9.106 -6.469 1.00 0.00 C ATOM 1630 O GLN A 100 -5.947 8.921 -5.382 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.810 8.348 -5.942 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.123 7.799 -6.477 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.722 6.736 -5.577 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.967 5.608 -6.006 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.962 7.092 -4.320 1.00 0.00 N ATOM 0 H GLN A 100 -6.652 6.481 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.961 8.574 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.553 7.821 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.945 9.398 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.835 8.617 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.959 7.379 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.743 8.038 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.365 6.419 -3.668 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.118 10.092 -7.300 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.036 11.030 -6.990 1.00 0.00 C ATOM 1646 C PRO A 101 -5.096 11.543 -5.552 1.00 0.00 C ATOM 1647 O PRO A 101 -6.177 11.789 -5.017 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.308 12.165 -7.971 1.00 0.00 C ATOM 1649 CG PRO A 101 -5.875 11.485 -9.162 1.00 0.00 C ATOM 1650 CD PRO A 101 -6.733 10.382 -8.613 1.00 0.00 C ATOM 0 HA PRO A 101 -4.049 10.576 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.007 12.892 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.395 12.706 -8.218 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.461 12.176 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.087 11.089 -9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.772 10.694 -8.510 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.726 9.506 -9.262 1.00 0.00 H new ATOM 1658 N GLY A 102 -3.930 11.699 -4.933 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.874 12.177 -3.562 1.00 0.00 C ATOM 1660 C GLY A 102 -2.825 13.254 -3.356 1.00 0.00 C ATOM 1661 O GLY A 102 -2.089 13.598 -4.281 1.00 0.00 O ATOM 0 H GLY A 102 -3.023 11.503 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.851 12.569 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.662 11.339 -2.898 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.753 13.780 -2.136 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.783 14.819 -1.803 1.00 0.00 C ATOM 1667 C GLU A 103 -0.864 14.354 -0.676 1.00 0.00 C ATOM 1668 O GLU A 103 -1.267 13.558 0.173 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.500 16.107 -1.397 1.00 0.00 C ATOM 1670 CG GLU A 103 -1.827 17.368 -1.915 1.00 0.00 C ATOM 1671 CD GLU A 103 -2.127 18.582 -1.058 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -1.796 18.557 0.146 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -2.695 19.559 -1.592 1.00 0.00 O ATOM 0 H GLU A 103 -3.356 13.503 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.177 15.017 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.525 16.074 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.555 16.155 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.749 17.211 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.157 17.558 -2.936 1.00 0.00 H new ATOM 1680 N TRP A 104 0.370 14.852 -0.672 1.00 0.00 N ATOM 1681 CA TRP A 104 1.344 14.474 0.355 1.00 0.00 C ATOM 1682 C TRP A 104 0.826 14.815 1.748 1.00 0.00 C ATOM 1683 O TRP A 104 0.768 15.982 2.133 1.00 0.00 O ATOM 1684 CB TRP A 104 2.703 15.162 0.131 1.00 0.00 C ATOM 1685 CG TRP A 104 2.682 16.267 -0.882 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.872 16.146 -2.229 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.459 17.659 -0.631 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.782 17.378 -2.830 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.528 18.323 -1.870 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.207 18.408 0.522 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.354 19.700 -1.988 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.035 19.775 0.403 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.109 20.408 -0.843 1.00 0.00 C ATOM 0 H TRP A 104 0.720 15.515 -1.363 1.00 0.00 H new ATOM 0 HA TRP A 104 1.485 13.396 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.053 15.564 1.082 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.428 14.412 -0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 104 3.065 15.218 -2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.887 17.560 -3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.148 17.928 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.410 20.191 -2.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.840 20.364 1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.970 21.477 -0.902 1.00 0.00 H new ATOM 1704 N MET A 105 0.451 13.783 2.499 1.00 0.00 N ATOM 1705 CA MET A 105 -0.062 13.971 3.854 1.00 0.00 C ATOM 1706 C MET A 105 0.802 13.244 4.882 1.00 0.00 C ATOM 1707 O MET A 105 1.427 12.230 4.581 1.00 0.00 O ATOM 1708 CB MET A 105 -1.535 13.527 3.933 1.00 0.00 C ATOM 1709 CG MET A 105 -1.894 12.649 5.126 1.00 0.00 C ATOM 1710 SD MET A 105 -2.131 13.597 6.642 1.00 0.00 S ATOM 1711 CE MET A 105 -3.538 14.609 6.192 1.00 0.00 C ATOM 0 H MET A 105 0.492 12.811 2.194 1.00 0.00 H new ATOM 0 HA MET A 105 -0.015 15.033 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.164 14.417 3.957 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.783 12.987 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.806 12.095 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.104 11.914 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 105 -4.056 14.934 7.094 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.196 15.481 5.635 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.221 14.028 5.572 1.00 0.00 H new ATOM 1721 N SER A 106 0.824 13.776 6.098 1.00 0.00 N ATOM 1722 CA SER A 106 1.607 13.188 7.181 1.00 0.00 C ATOM 1723 C SER A 106 0.973 11.892 7.682 1.00 0.00 C ATOM 1724 O SER A 106 -0.229 11.834 7.938 1.00 0.00 O ATOM 1725 CB SER A 106 1.738 14.181 8.337 1.00 0.00 C ATOM 1726 OG SER A 106 0.629 15.063 8.381 1.00 0.00 O ATOM 0 H SER A 106 0.308 14.616 6.361 1.00 0.00 H new ATOM 0 HA SER A 106 2.597 12.955 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.813 13.639 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.658 14.754 8.225 1.00 0.00 H new ATOM 0 HG SER A 106 -0.198 14.557 8.238 1.00 0.00 H new ATOM 1732 N LEU A 107 1.793 10.854 7.819 1.00 0.00 N ATOM 1733 CA LEU A 107 1.317 9.557 8.291 1.00 0.00 C ATOM 1734 C LEU A 107 1.172 9.536 9.813 1.00 0.00 C ATOM 1735 O LEU A 107 0.480 8.680 10.365 1.00 0.00 O ATOM 1736 CB LEU A 107 2.270 8.445 7.842 1.00 0.00 C ATOM 1737 CG LEU A 107 1.852 7.697 6.575 1.00 0.00 C ATOM 1738 CD1 LEU A 107 2.791 6.528 6.311 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.413 7.211 6.689 1.00 0.00 C ATOM 0 H LEU A 107 2.791 10.886 7.610 1.00 0.00 H new ATOM 0 HA LEU A 107 0.333 9.386 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.257 8.879 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.369 7.724 8.654 1.00 0.00 H new ATOM 0 HG LEU A 107 1.915 8.387 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.478 6.007 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.808 6.900 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.760 5.839 7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.135 6.681 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.323 6.538 7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.250 8.065 6.829 1.00 0.00 H new ATOM 1751 N VAL A 108 1.830 10.478 10.486 1.00 0.00 N ATOM 1752 CA VAL A 108 1.777 10.563 11.943 1.00 0.00 C ATOM 1753 C VAL A 108 0.338 10.536 12.462 1.00 0.00 C ATOM 1754 O VAL A 108 0.093 10.182 13.615 1.00 0.00 O ATOM 1755 CB VAL A 108 2.474 11.840 12.453 1.00 0.00 C ATOM 1756 CG1 VAL A 108 1.769 13.083 11.931 1.00 0.00 C ATOM 1757 CG2 VAL A 108 2.531 11.850 13.973 1.00 0.00 C ATOM 0 H VAL A 108 2.407 11.194 10.044 1.00 0.00 H new ATOM 0 HA VAL A 108 2.303 9.688 12.324 1.00 0.00 H new ATOM 0 HB VAL A 108 3.496 11.846 12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.277 13.973 12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.790 13.082 10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.735 13.086 12.274 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.027 12.759 14.313 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.519 11.817 14.375 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.089 10.981 14.322 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.607 10.909 11.605 1.00 0.00 N ATOM 1768 CA GLY A 109 -2.004 10.916 11.998 1.00 0.00 C ATOM 1769 C GLY A 109 -2.860 10.090 11.062 1.00 0.00 C ATOM 1770 O GLY A 109 -3.929 10.526 10.632 1.00 0.00 O ATOM 0 H GLY A 109 -0.430 11.207 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.097 10.528 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.371 11.942 12.014 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.382 8.894 10.748 1.00 0.00 N ATOM 1775 CA LEU A 110 -3.093 7.987 9.852 1.00 0.00 C ATOM 1776 C LEU A 110 -4.445 7.591 10.439 1.00 0.00 C ATOM 1777 O LEU A 110 -4.598 7.495 11.658 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.246 6.739 9.605 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.537 5.997 8.302 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.529 6.957 7.120 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -1.518 4.888 8.098 1.00 0.00 C ATOM 0 H LEU A 110 -1.499 8.526 11.102 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.269 8.501 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.195 7.027 9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.394 6.050 10.437 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.531 5.554 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.738 6.407 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.292 7.721 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.551 7.431 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.732 4.364 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.517 5.318 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.572 4.186 8.930 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.429 7.378 9.568 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.769 7.011 10.011 1.00 0.00 C ATOM 1795 C ASN A 111 -7.241 5.697 9.394 1.00 0.00 C ATOM 1796 O ASN A 111 -7.566 5.637 8.209 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.753 8.132 9.672 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.379 8.751 10.907 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.237 8.234 12.015 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -9.078 9.864 10.721 1.00 0.00 N ATOM 0 H ASN A 111 -5.323 7.453 8.556 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.730 6.867 11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.235 8.906 9.105 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.540 7.738 9.029 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.523 10.325 11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.170 10.258 9.785 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.301 4.652 10.218 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.762 3.348 9.760 1.00 0.00 C ATOM 1809 C ALA A 112 -9.273 3.365 9.527 1.00 0.00 C ATOM 1810 O ALA A 112 -9.819 2.494 8.855 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.397 2.264 10.765 1.00 0.00 C ATOM 0 H ALA A 112 -7.036 4.685 11.203 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.266 3.125 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.751 1.298 10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.314 2.231 10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.864 2.485 11.725 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.948 4.362 10.094 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.392 4.491 9.943 1.00 0.00 C ATOM 1819 C ASP A 113 -11.735 5.090 8.581 1.00 0.00 C ATOM 1820 O ASP A 113 -12.732 4.718 7.960 1.00 0.00 O ATOM 1821 CB ASP A 113 -12.000 5.352 11.062 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.966 6.044 11.933 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -10.001 6.607 11.374 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -11.124 6.024 13.171 1.00 0.00 O ATOM 0 H ASP A 113 -9.517 5.091 10.662 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.821 3.491 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.649 6.106 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.629 4.722 11.691 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.905 6.026 8.128 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.120 6.685 6.844 1.00 0.00 C ATOM 1831 C ASP A 114 -10.546 5.869 5.686 1.00 0.00 C ATOM 1832 O ASP A 114 -10.680 6.252 4.525 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.498 8.080 6.856 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.536 9.179 6.726 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.614 9.053 7.344 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.270 10.163 6.004 1.00 0.00 O ATOM 0 H ASP A 114 -10.077 6.345 8.632 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.196 6.769 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.941 8.218 7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.782 8.162 6.038 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.907 4.744 6.001 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.324 3.892 4.972 1.00 0.00 C ATOM 1843 C PHE A 115 -10.035 2.538 4.932 1.00 0.00 C ATOM 1844 O PHE A 115 -10.792 2.204 5.844 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.803 3.760 5.197 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.330 2.483 5.836 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -8.030 1.901 6.874 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.157 1.882 5.405 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.575 0.743 7.471 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.695 0.731 6.000 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.403 0.160 7.034 1.00 0.00 C ATOM 0 H PHE A 115 -9.781 4.405 6.955 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.467 4.350 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.305 3.865 4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.476 4.594 5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.945 2.357 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.599 2.323 4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.135 0.294 8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.778 0.276 5.657 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.041 -0.743 7.503 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.822 1.745 3.868 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.469 0.438 3.721 1.00 0.00 C ATOM 1863 C PRO A 116 -10.232 -0.470 4.926 1.00 0.00 C ATOM 1864 O PRO A 116 -9.092 -0.676 5.342 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.822 -0.158 2.460 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.628 0.694 2.185 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.956 2.055 2.724 1.00 0.00 C ATOM 0 HA PRO A 116 -11.552 0.534 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.534 -1.197 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.516 -0.145 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.739 0.287 2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.418 0.738 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.061 2.597 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.466 2.672 1.984 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.312 -1.028 5.506 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.213 -1.916 6.669 1.00 0.00 C ATOM 1877 C PRO A 117 -10.488 -3.219 6.346 1.00 0.00 C ATOM 1878 O PRO A 117 -10.028 -3.922 7.246 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.674 -2.196 7.040 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.441 -1.942 5.790 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.710 -0.840 5.077 1.00 0.00 C ATOM 0 HA PRO A 117 -10.637 -1.461 7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.805 -3.222 7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.008 -1.545 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.492 -2.840 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.467 -1.650 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.813 -0.923 3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.089 0.142 5.359 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.387 -3.535 5.059 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.715 -4.752 4.624 1.00 0.00 C ATOM 1891 C ALA A 118 -8.244 -4.734 5.009 1.00 0.00 C ATOM 1892 O ALA A 118 -7.613 -5.782 5.145 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.870 -4.935 3.123 1.00 0.00 C ATOM 0 H ALA A 118 -10.762 -2.965 4.301 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.184 -5.596 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.362 -5.849 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.928 -5.005 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.430 -4.083 2.605 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.701 -3.537 5.174 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.301 -3.374 5.533 1.00 0.00 C ATOM 1901 C ASN A 119 -6.147 -2.908 6.983 1.00 0.00 C ATOM 1902 O ASN A 119 -5.030 -2.742 7.473 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.664 -2.364 4.583 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.658 -3.004 3.647 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.525 -2.540 3.523 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -5.072 -4.075 2.980 1.00 0.00 N ATOM 0 H ASN A 119 -8.212 -2.661 5.064 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.800 -4.338 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.444 -1.879 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.171 -1.584 5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.441 -4.548 2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.021 -4.424 3.115 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.274 -2.692 7.661 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.268 -2.236 9.050 1.00 0.00 C ATOM 1915 C GLU A 120 -6.427 -3.133 9.962 1.00 0.00 C ATOM 1916 O GLU A 120 -5.793 -2.640 10.887 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.697 -2.156 9.589 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.887 -1.081 10.647 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.943 -0.061 10.266 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.236 0.068 9.060 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -10.478 0.606 11.176 1.00 0.00 O ATOM 0 H GLU A 120 -8.206 -2.826 7.269 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.812 -1.246 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.379 -1.964 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.972 -3.123 10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -9.166 -1.551 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.939 -0.570 10.814 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.421 -4.459 9.748 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.663 -5.384 10.599 1.00 0.00 C ATOM 1930 C PRO A 121 -4.249 -4.912 10.931 1.00 0.00 C ATOM 1931 O PRO A 121 -3.851 -4.903 12.097 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.588 -6.632 9.735 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.872 -6.629 8.982 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.174 -5.183 8.697 1.00 0.00 C ATOM 0 HA PRO A 121 -6.142 -5.507 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.731 -6.600 9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.484 -7.531 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.785 -7.200 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.670 -7.088 9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.847 -4.894 7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.243 -4.977 8.755 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.488 -4.530 9.911 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.116 -4.071 10.120 1.00 0.00 C ATOM 1944 C VAL A 122 -2.082 -2.632 10.616 1.00 0.00 C ATOM 1945 O VAL A 122 -1.463 -2.327 11.635 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.260 -4.163 8.832 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -0.010 -4.993 9.076 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.053 -4.720 7.656 1.00 0.00 C ATOM 0 H VAL A 122 -3.793 -4.528 8.938 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.693 -4.735 10.874 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.961 -3.148 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.577 -5.045 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.586 -4.530 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.296 -6.000 9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.413 -4.767 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.409 -5.721 7.899 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.905 -4.071 7.452 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.748 -1.752 9.878 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.796 -0.339 10.222 1.00 0.00 C ATOM 1960 C ILE A 123 -3.399 -0.132 11.602 1.00 0.00 C ATOM 1961 O ILE A 123 -3.062 0.813 12.292 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.593 0.463 9.175 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.809 0.525 7.860 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.897 1.868 9.683 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.127 1.857 7.621 1.00 0.00 C ATOM 0 H ILE A 123 -3.265 -1.996 9.033 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.769 0.027 10.231 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.542 -0.042 8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.057 -0.264 7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.488 0.321 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.460 2.415 8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.486 1.805 10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.963 2.391 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.592 1.827 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.876 2.649 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.422 2.055 8.429 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.277 -1.035 11.998 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.904 -0.947 13.310 1.00 0.00 C ATOM 1979 C ALA A 124 -3.828 -0.891 14.387 1.00 0.00 C ATOM 1980 O ALA A 124 -3.853 -0.035 15.270 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.834 -2.129 13.543 1.00 0.00 C ATOM 0 H ALA A 124 -4.573 -1.834 11.437 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.502 -0.037 13.356 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.292 -2.043 14.529 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.613 -2.135 12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.264 -3.057 13.487 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.906 -1.844 14.317 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.833 -1.948 15.300 1.00 0.00 C ATOM 1989 C LYS A 125 -1.061 -0.639 15.420 1.00 0.00 C ATOM 1990 O LYS A 125 -0.827 -0.149 16.525 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.881 -3.086 14.925 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.534 -3.997 16.092 1.00 0.00 C ATOM 1993 CD LYS A 125 0.565 -3.401 16.957 1.00 0.00 C ATOM 1994 CE LYS A 125 0.871 -4.286 18.156 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.208 -3.987 18.740 1.00 0.00 N ATOM 0 H LYS A 125 -2.880 -2.557 13.588 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.286 -2.163 16.268 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.334 -3.681 14.132 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.038 -2.662 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.423 -4.168 16.699 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.215 -4.968 15.714 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.468 -3.269 16.361 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.263 -2.412 17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.103 -4.145 18.917 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.833 -5.333 17.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.379 -4.611 19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.944 -4.146 18.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.237 -2.995 19.052 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.665 -0.076 14.289 1.00 0.00 N ATOM 2010 CA LEU A 126 0.086 1.181 14.286 1.00 0.00 C ATOM 2011 C LEU A 126 -0.842 2.373 14.509 1.00 0.00 C ATOM 2012 O LEU A 126 -0.576 3.234 15.344 1.00 0.00 O ATOM 2013 CB LEU A 126 0.838 1.345 12.963 1.00 0.00 C ATOM 2014 CG LEU A 126 2.080 2.237 13.032 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.313 1.409 13.360 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.271 2.985 11.720 1.00 0.00 C ATOM 0 H LEU A 126 -0.847 -0.463 13.363 1.00 0.00 H new ATOM 0 HA LEU A 126 0.805 1.148 15.104 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.137 0.359 12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.153 1.757 12.222 1.00 0.00 H new ATOM 0 HG LEU A 126 1.937 2.968 13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.187 2.059 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.176 0.918 14.324 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.461 0.655 12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.158 3.615 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.394 2.269 10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.398 3.608 11.526 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.915 2.417 13.732 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.895 3.501 13.801 1.00 0.00 C ATOM 2030 C LYS A 127 -3.355 3.735 15.228 1.00 0.00 C ATOM 2031 O LYS A 127 -3.549 4.872 15.654 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.103 3.168 12.940 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.287 4.103 13.139 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.570 3.335 13.410 1.00 0.00 C ATOM 2035 CE LYS A 127 -6.910 3.319 14.892 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.498 2.018 15.313 1.00 0.00 N ATOM 0 H LYS A 127 -2.134 1.705 13.035 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.414 4.407 13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.806 3.194 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.420 2.148 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.083 4.776 13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.414 4.723 12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.390 3.787 12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.466 2.312 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.009 3.515 15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.612 4.123 15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.716 2.048 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.372 1.842 14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -6.818 1.253 15.127 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.511 2.650 15.966 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.928 2.739 17.352 1.00 0.00 C ATOM 2052 C ARG A 128 -2.863 3.484 18.153 1.00 0.00 C ATOM 2053 O ARG A 128 -3.087 3.880 19.297 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.152 1.336 17.916 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.538 1.308 19.387 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.960 0.091 20.090 1.00 0.00 C ATOM 2057 NE ARG A 128 -2.520 -0.035 19.871 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.838 -1.164 20.055 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.460 -2.264 20.461 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.532 -1.191 19.831 1.00 0.00 N ATOM 0 H ARG A 128 -3.355 1.700 15.629 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.867 3.289 17.422 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.935 0.845 17.337 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.241 0.753 17.780 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.182 2.215 19.875 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.624 1.302 19.479 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.159 0.161 21.159 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.461 -0.808 19.731 1.00 0.00 H new ATOM 0 HE ARG A 128 -2.008 0.790 19.559 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.465 -2.247 20.634 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.933 -3.126 20.600 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.051 -0.348 19.518 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.008 -2.055 19.971 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.702 3.688 17.526 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.596 4.400 18.161 1.00 0.00 C ATOM 2076 C LEU A 129 -0.365 3.910 19.588 1.00 0.00 C ATOM 2077 O LEU A 129 -0.834 2.837 19.969 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.872 5.909 18.161 1.00 0.00 C ATOM 2079 CG LEU A 129 -0.280 6.684 16.978 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -0.532 5.950 15.669 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.859 8.091 16.920 1.00 0.00 C ATOM 0 H LEU A 129 -1.506 3.369 16.577 1.00 0.00 H new ATOM 0 HA LEU A 129 0.308 4.199 17.586 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.951 6.064 18.172 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.479 6.333 19.085 1.00 0.00 H new ATOM 0 HG LEU A 129 0.798 6.758 17.124 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.103 6.519 14.844 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.069 4.964 15.710 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.605 5.840 15.514 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.428 8.627 16.075 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.941 8.035 16.801 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.623 8.620 17.843 1.00 0.00 H new