USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=14 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 45 THR OG1 : rot 150:sc= -1.31 USER MOD Set 1.2: A 48 GLN : amide:sc= 0 X(o=-1.3,f=-1.6) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -1.62 K(o=-1.6,f=-5.7!) USER MOD Single : A 15 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.16) USER MOD Single : A 21 THR OG1 : rot 65:sc= -0.622 USER MOD Single : A 31 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0802 (180deg=-0.387) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.314 (180deg=-1.48!) USER MOD Single : A 42 MET CE :methyl -164:sc= -1.62 (180deg=-2.38) USER MOD Single : A 55 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 63 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 64 HIS : no HD1:sc= -22.6! C(o=-23!,f=-26!) 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 HE2:sc= -7.45! C(o=-7.4!,f=-11!) USER MOD Single : A 81 THR OG1 : rot -140:sc= -1.13 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.015) USER MOD Single : A 105 MET CE :methyl -137:sc= -3.3! (180deg=-4.63!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.663 USER MOD Single : A 111 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 119 ASN : amide:sc= -8.09! C(o=-8.1!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ -128:sc= -1.47 (180deg=-3.93!) USER MOD Single : A 127 LYS NZ :NH3+ -170:sc= 0.749 (180deg=0.68) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -5.936 -18.917 -0.985 1.00 0.00 N ATOM 43 CA LYS A 3 -5.063 -17.848 -0.512 1.00 0.00 C ATOM 44 C LYS A 3 -5.219 -16.598 -1.372 1.00 0.00 C ATOM 45 O LYS A 3 -5.548 -16.686 -2.555 1.00 0.00 O ATOM 46 CB LYS A 3 -3.604 -18.310 -0.534 1.00 0.00 C ATOM 47 CG LYS A 3 -3.181 -19.055 0.721 1.00 0.00 C ATOM 48 CD LYS A 3 -1.682 -19.309 0.738 1.00 0.00 C ATOM 49 CE LYS A 3 -1.276 -20.320 -0.321 1.00 0.00 C ATOM 50 NZ LYS A 3 0.074 -20.030 -0.877 1.00 0.00 N ATOM 0 HA LYS A 3 -5.349 -17.604 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.449 -18.955 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.959 -17.441 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.463 -18.477 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.713 -20.005 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.151 -18.372 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.385 -19.672 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.283 -21.321 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.009 -20.315 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.314 -20.742 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.075 -19.085 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.778 -20.060 -0.112 1.00 0.00 H new ATOM 64 N LEU A 4 -4.967 -15.436 -0.778 1.00 0.00 N ATOM 65 CA LEU A 4 -5.066 -14.170 -1.502 1.00 0.00 C ATOM 66 C LEU A 4 -4.029 -13.179 -0.985 1.00 0.00 C ATOM 67 O LEU A 4 -3.977 -12.898 0.210 1.00 0.00 O ATOM 68 CB LEU A 4 -6.472 -13.582 -1.358 1.00 0.00 C ATOM 69 CG LEU A 4 -6.856 -13.160 0.061 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.495 -11.702 0.301 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.341 -13.391 0.301 1.00 0.00 C ATOM 0 H LEU A 4 -4.693 -15.343 0.200 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.872 -14.361 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.555 -12.715 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.195 -14.318 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.294 -13.772 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.776 -11.420 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.421 -11.567 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.029 -11.073 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.597 -13.086 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.920 -12.804 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.570 -14.449 0.172 1.00 0.00 H new ATOM 83 N GLN A 5 -3.181 -12.667 -1.873 1.00 0.00 N ATOM 84 CA GLN A 5 -2.139 -11.732 -1.474 1.00 0.00 C ATOM 85 C GLN A 5 -2.482 -10.290 -1.827 1.00 0.00 C ATOM 86 O GLN A 5 -3.184 -10.016 -2.800 1.00 0.00 O ATOM 87 CB GLN A 5 -0.826 -12.108 -2.150 1.00 0.00 C ATOM 88 CG GLN A 5 -0.480 -13.575 -2.005 1.00 0.00 C ATOM 89 CD GLN A 5 0.939 -13.889 -2.440 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.888 -13.712 -1.676 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.089 -14.357 -3.674 1.00 0.00 N ATOM 0 H GLN A 5 -3.196 -12.884 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.048 -11.798 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.885 -11.858 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.021 -11.508 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.611 -13.874 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.177 -14.168 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.273 -14.488 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.020 -14.586 -4.023 1.00 0.00 H new ATOM 100 N ILE A 6 -1.949 -9.378 -1.032 1.00 0.00 N ATOM 101 CA ILE A 6 -2.130 -7.948 -1.226 1.00 0.00 C ATOM 102 C ILE A 6 -0.860 -7.243 -0.762 1.00 0.00 C ATOM 103 O ILE A 6 -0.301 -7.607 0.272 1.00 0.00 O ATOM 104 CB ILE A 6 -3.353 -7.419 -0.445 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.646 -7.949 -1.069 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.363 -5.898 -0.420 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.917 -7.403 -2.456 1.00 0.00 C ATOM 0 H ILE A 6 -1.372 -9.612 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.315 -7.748 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.285 -7.775 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.596 -9.037 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.484 -7.698 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.233 -5.549 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.455 -5.536 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.407 -5.518 -1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.849 -7.821 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.999 -6.317 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.098 -7.677 -3.121 1.00 0.00 H new ATOM 119 N ALA A 7 -0.406 -6.222 -1.484 1.00 0.00 N ATOM 120 CA ALA A 7 0.781 -5.483 -1.077 1.00 0.00 C ATOM 121 C ALA A 7 0.441 -4.009 -1.028 1.00 0.00 C ATOM 122 O ALA A 7 -0.337 -3.552 -1.846 1.00 0.00 O ATOM 123 CB ALA A 7 1.932 -5.743 -2.041 1.00 0.00 C ATOM 0 H ALA A 7 -0.839 -5.891 -2.346 1.00 0.00 H new ATOM 0 HA ALA A 7 1.100 -5.815 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.810 -5.182 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.165 -6.808 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.646 -5.426 -3.044 1.00 0.00 H new ATOM 129 N VAL A 8 1.005 -3.255 -0.098 1.00 0.00 N ATOM 130 CA VAL A 8 0.710 -1.830 -0.030 1.00 0.00 C ATOM 131 C VAL A 8 1.927 -1.031 0.394 1.00 0.00 C ATOM 132 O VAL A 8 2.865 -1.567 0.981 1.00 0.00 O ATOM 133 CB VAL A 8 -0.473 -1.517 0.916 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.387 -2.724 1.066 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.022 -1.039 2.277 1.00 0.00 C ATOM 0 H VAL A 8 1.657 -3.596 0.608 1.00 0.00 H new ATOM 0 HA VAL A 8 0.423 -1.533 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.051 -0.710 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.210 -2.476 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.785 -3.003 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.822 -3.559 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.832 -0.827 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.637 -1.815 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.615 -0.133 2.151 1.00 0.00 H new ATOM 145 N GLY A 9 1.912 0.256 0.086 1.00 0.00 N ATOM 146 CA GLY A 9 3.028 1.092 0.445 1.00 0.00 C ATOM 147 C GLY A 9 2.665 2.545 0.669 1.00 0.00 C ATOM 148 O GLY A 9 1.799 3.098 -0.004 1.00 0.00 O ATOM 0 H GLY A 9 1.152 0.730 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.486 0.699 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.780 1.034 -0.342 1.00 0.00 H new ATOM 152 N ILE A 10 3.389 3.168 1.585 1.00 0.00 N ATOM 153 CA ILE A 10 3.218 4.581 1.889 1.00 0.00 C ATOM 154 C ILE A 10 4.289 5.343 1.118 1.00 0.00 C ATOM 155 O ILE A 10 5.472 5.080 1.303 1.00 0.00 O ATOM 156 CB ILE A 10 3.338 4.833 3.416 1.00 0.00 C ATOM 157 CG1 ILE A 10 1.961 5.122 4.015 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.308 5.966 3.730 1.00 0.00 C ATOM 159 CD1 ILE A 10 1.323 3.918 4.673 1.00 0.00 C ATOM 0 H ILE A 10 4.112 2.709 2.139 1.00 0.00 H new ATOM 0 HA ILE A 10 2.226 4.922 1.592 1.00 0.00 H new ATOM 0 HB ILE A 10 3.740 3.927 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.054 5.921 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.301 5.488 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.363 6.110 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.297 5.715 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.959 6.885 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.349 4.197 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.198 3.125 3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.962 3.564 5.482 1.00 0.00 H new ATOM 171 N ILE A 11 3.888 6.264 0.244 1.00 0.00 N ATOM 172 CA ILE A 11 4.861 7.008 -0.556 1.00 0.00 C ATOM 173 C ILE A 11 5.459 8.188 0.194 1.00 0.00 C ATOM 174 O ILE A 11 4.782 9.174 0.472 1.00 0.00 O ATOM 175 CB ILE A 11 4.261 7.526 -1.876 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.176 6.577 -2.399 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.371 7.699 -2.907 1.00 0.00 C ATOM 178 CD1 ILE A 11 3.009 6.620 -3.903 1.00 0.00 C ATOM 0 H ILE A 11 2.913 6.511 0.073 1.00 0.00 H new ATOM 0 HA ILE A 11 5.650 6.288 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 11 3.790 8.492 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.420 5.558 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.226 6.830 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.946 8.066 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.104 8.415 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.858 6.740 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.225 5.924 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.735 7.629 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.947 6.338 -4.381 1.00 0.00 H new ATOM 190 N ARG A 12 6.740 8.073 0.505 1.00 0.00 N ATOM 191 CA ARG A 12 7.444 9.126 1.227 1.00 0.00 C ATOM 192 C ARG A 12 7.836 10.235 0.272 1.00 0.00 C ATOM 193 O ARG A 12 8.015 9.997 -0.924 1.00 0.00 O ATOM 194 CB ARG A 12 8.684 8.579 1.928 1.00 0.00 C ATOM 195 CG ARG A 12 8.452 8.258 3.394 1.00 0.00 C ATOM 196 CD ARG A 12 8.902 9.396 4.296 1.00 0.00 C ATOM 197 NE ARG A 12 9.856 8.948 5.308 1.00 0.00 N ATOM 198 CZ ARG A 12 9.557 8.094 6.284 1.00 0.00 C ATOM 199 NH1 ARG A 12 8.333 7.588 6.381 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.484 7.743 7.165 1.00 0.00 N ATOM 0 H ARG A 12 7.315 7.264 0.270 1.00 0.00 H new ATOM 0 HA ARG A 12 6.772 9.524 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.016 7.677 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.491 9.308 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.393 8.059 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.993 7.349 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.357 10.180 3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.033 9.835 4.786 1.00 0.00 H new ATOM 0 HE ARG A 12 10.808 9.311 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.616 7.853 5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.110 6.934 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.426 8.128 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.255 7.089 7.913 1.00 0.00 H new ATOM 214 N ASN A 13 7.977 11.446 0.805 1.00 0.00 N ATOM 215 CA ASN A 13 8.338 12.596 -0.009 1.00 0.00 C ATOM 216 C ASN A 13 9.498 13.392 0.578 1.00 0.00 C ATOM 217 O ASN A 13 10.161 12.981 1.531 1.00 0.00 O ATOM 218 CB ASN A 13 7.126 13.512 -0.245 1.00 0.00 C ATOM 219 CG ASN A 13 7.091 14.739 0.651 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.540 15.818 0.264 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.553 14.580 1.851 1.00 0.00 N ATOM 0 H ASN A 13 7.846 11.653 1.795 1.00 0.00 H new ATOM 0 HA ASN A 13 8.672 12.199 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.126 13.835 -1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.214 12.936 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.499 15.370 2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.193 13.668 2.132 1.00 0.00 H new ATOM 228 N GLU A 14 9.723 14.529 -0.050 1.00 0.00 N ATOM 229 CA GLU A 14 10.790 15.453 0.304 1.00 0.00 C ATOM 230 C GLU A 14 10.871 15.708 1.798 1.00 0.00 C ATOM 231 O GLU A 14 11.947 15.656 2.392 1.00 0.00 O ATOM 232 CB GLU A 14 10.581 16.774 -0.443 1.00 0.00 C ATOM 233 CG GLU A 14 11.536 17.881 -0.019 1.00 0.00 C ATOM 234 CD GLU A 14 12.296 18.475 -1.189 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.918 17.701 -1.947 1.00 0.00 O ATOM 236 OE2 GLU A 14 12.271 19.713 -1.347 1.00 0.00 O ATOM 0 H GLU A 14 9.159 14.846 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 14 11.735 14.995 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.697 16.597 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.557 17.111 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.974 18.669 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.246 17.485 0.707 1.00 0.00 H new ATOM 243 N ASN A 15 9.742 16.035 2.382 1.00 0.00 N ATOM 244 CA ASN A 15 9.690 16.364 3.808 1.00 0.00 C ATOM 245 C ASN A 15 9.557 15.131 4.695 1.00 0.00 C ATOM 246 O ASN A 15 10.505 14.730 5.370 1.00 0.00 O ATOM 247 CB ASN A 15 8.531 17.326 4.080 1.00 0.00 C ATOM 248 CG ASN A 15 8.484 17.783 5.526 1.00 0.00 C ATOM 249 OD1 ASN A 15 9.402 17.517 6.303 1.00 0.00 O ATOM 250 ND2 ASN A 15 7.411 18.472 5.895 1.00 0.00 N ATOM 0 H ASN A 15 8.843 16.083 1.903 1.00 0.00 H new ATOM 0 HA ASN A 15 10.638 16.839 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.625 18.196 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.590 16.838 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.323 18.804 6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.674 18.670 5.218 1.00 0.00 H new ATOM 257 N ASN A 16 8.369 14.544 4.690 1.00 0.00 N ATOM 258 CA ASN A 16 8.081 13.350 5.503 1.00 0.00 C ATOM 259 C ASN A 16 6.577 13.037 5.568 1.00 0.00 C ATOM 260 O ASN A 16 6.139 12.253 6.410 1.00 0.00 O ATOM 261 CB ASN A 16 8.626 13.523 6.922 1.00 0.00 C ATOM 262 CG ASN A 16 9.729 12.535 7.244 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.851 12.923 7.567 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.414 11.247 7.159 1.00 0.00 N ATOM 0 H ASN A 16 7.579 14.870 4.132 1.00 0.00 H new ATOM 0 HA ASN A 16 8.578 12.511 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.006 14.538 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.813 13.401 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.115 10.536 7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.471 10.969 6.887 1.00 0.00 H new ATOM 271 N GLU A 17 5.800 13.627 4.665 1.00 0.00 N ATOM 272 CA GLU A 17 4.367 13.395 4.594 1.00 0.00 C ATOM 273 C GLU A 17 4.105 12.575 3.344 1.00 0.00 C ATOM 274 O GLU A 17 4.644 12.889 2.284 1.00 0.00 O ATOM 275 CB GLU A 17 3.617 14.726 4.530 1.00 0.00 C ATOM 276 CG GLU A 17 4.345 15.878 5.205 1.00 0.00 C ATOM 277 CD GLU A 17 3.406 16.795 5.963 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.264 16.994 5.497 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.812 17.315 7.024 1.00 0.00 O ATOM 0 H GLU A 17 6.149 14.279 3.963 1.00 0.00 H new ATOM 0 HA GLU A 17 4.017 12.864 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.441 14.983 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.640 14.604 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.091 15.479 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.882 16.455 4.452 1.00 0.00 H new ATOM 286 N ILE A 18 3.389 11.466 3.467 1.00 0.00 N ATOM 287 CA ILE A 18 3.217 10.576 2.344 1.00 0.00 C ATOM 288 C ILE A 18 1.848 10.664 1.671 1.00 0.00 C ATOM 289 O ILE A 18 0.804 10.605 2.316 1.00 0.00 O ATOM 290 CB ILE A 18 3.477 9.119 2.807 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.174 8.336 2.989 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.305 9.069 4.088 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.623 7.802 1.689 1.00 0.00 C ATOM 0 H ILE A 18 2.925 11.169 4.326 1.00 0.00 H new ATOM 0 HA ILE A 18 3.939 10.890 1.590 1.00 0.00 H new ATOM 0 HB ILE A 18 4.051 8.643 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.348 7.505 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.430 8.982 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.464 8.030 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.268 9.550 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.775 9.591 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.699 7.256 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.420 8.632 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.352 7.132 1.233 1.00 0.00 H new ATOM 305 N PHE A 19 1.892 10.822 0.350 1.00 0.00 N ATOM 306 CA PHE A 19 0.693 10.932 -0.467 1.00 0.00 C ATOM 307 C PHE A 19 -0.191 9.681 -0.364 1.00 0.00 C ATOM 308 O PHE A 19 0.064 8.661 -1.006 1.00 0.00 O ATOM 309 CB PHE A 19 1.092 11.210 -1.931 1.00 0.00 C ATOM 310 CG PHE A 19 0.463 10.290 -2.946 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.905 10.299 -3.154 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.243 9.417 -3.686 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.487 9.455 -4.081 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.668 8.570 -4.615 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.698 8.589 -4.813 1.00 0.00 C ATOM 0 H PHE A 19 2.761 10.877 -0.181 1.00 0.00 H new ATOM 0 HA PHE A 19 0.099 11.765 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.822 12.237 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.176 11.136 -2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.526 10.974 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.312 9.398 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.556 9.473 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.287 7.894 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.149 7.928 -5.539 1.00 0.00 H new ATOM 325 N ILE A 20 -1.243 9.785 0.441 1.00 0.00 N ATOM 326 CA ILE A 20 -2.191 8.684 0.615 1.00 0.00 C ATOM 327 C ILE A 20 -3.484 9.002 -0.135 1.00 0.00 C ATOM 328 O ILE A 20 -4.025 10.100 -0.006 1.00 0.00 O ATOM 329 CB ILE A 20 -2.537 8.402 2.099 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.496 9.006 3.044 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.649 6.906 2.332 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.981 9.128 4.471 1.00 0.00 C ATOM 0 H ILE A 20 -1.463 10.620 0.985 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.708 7.792 0.216 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.496 8.874 2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.597 8.389 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.213 9.993 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.892 6.718 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.435 6.497 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.700 6.428 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.194 9.563 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.862 9.769 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.237 8.140 4.854 1.00 0.00 H new ATOM 344 N THR A 21 -3.976 8.051 -0.924 1.00 0.00 N ATOM 345 CA THR A 21 -5.205 8.267 -1.688 1.00 0.00 C ATOM 346 C THR A 21 -6.424 8.303 -0.773 1.00 0.00 C ATOM 347 O THR A 21 -6.672 7.361 -0.024 1.00 0.00 O ATOM 348 CB THR A 21 -5.388 7.176 -2.750 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.716 7.176 -3.240 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.094 5.778 -2.250 1.00 0.00 C ATOM 0 H THR A 21 -3.550 7.133 -1.052 1.00 0.00 H new ATOM 0 HA THR A 21 -5.114 9.233 -2.185 1.00 0.00 H new ATOM 0 HB THR A 21 -4.668 7.421 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.891 8.017 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.246 5.063 -3.059 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.061 5.724 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.763 5.539 -1.424 1.00 0.00 H new ATOM 358 N ARG A 22 -7.182 9.399 -0.839 1.00 0.00 N ATOM 359 CA ARG A 22 -8.378 9.554 -0.014 1.00 0.00 C ATOM 360 C ARG A 22 -9.446 10.381 -0.726 1.00 0.00 C ATOM 361 O ARG A 22 -9.136 11.295 -1.490 1.00 0.00 O ATOM 362 CB ARG A 22 -8.026 10.215 1.320 1.00 0.00 C ATOM 363 CG ARG A 22 -9.235 10.474 2.207 1.00 0.00 C ATOM 364 CD ARG A 22 -8.833 11.084 3.541 1.00 0.00 C ATOM 365 NE ARG A 22 -8.339 12.451 3.393 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.886 13.189 4.404 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.860 12.694 5.635 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.458 14.424 4.183 1.00 0.00 N ATOM 0 H ARG A 22 -6.988 10.189 -1.454 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.779 8.557 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.321 9.580 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.519 11.160 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.926 11.143 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.767 9.538 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.690 11.080 4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.061 10.468 4.003 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.341 12.864 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.188 11.744 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.512 13.263 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.476 14.809 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.111 14.990 4.958 1.00 0.00 H new ATOM 493 N ASN A 31 -14.077 6.903 2.384 1.00 0.00 N ATOM 494 CA ASN A 31 -13.469 5.884 3.229 1.00 0.00 C ATOM 495 C ASN A 31 -12.391 5.115 2.472 1.00 0.00 C ATOM 496 O ASN A 31 -12.168 3.931 2.725 1.00 0.00 O ATOM 497 CB ASN A 31 -14.537 4.914 3.740 1.00 0.00 C ATOM 498 CG ASN A 31 -13.996 3.955 4.784 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.569 4.369 5.862 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.015 2.666 4.468 1.00 0.00 N ATOM 0 HA ASN A 31 -13.002 6.385 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.365 5.481 4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.938 4.345 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.666 1.973 5.131 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.378 2.368 3.563 1.00 0.00 H new ATOM 507 N LYS A 32 -11.726 5.791 1.538 1.00 0.00 N ATOM 508 CA LYS A 32 -10.677 5.160 0.745 1.00 0.00 C ATOM 509 C LYS A 32 -9.309 5.765 1.032 1.00 0.00 C ATOM 510 O LYS A 32 -8.417 5.728 0.189 1.00 0.00 O ATOM 511 CB LYS A 32 -10.999 5.257 -0.748 1.00 0.00 C ATOM 512 CG LYS A 32 -11.056 3.907 -1.445 1.00 0.00 C ATOM 513 CD LYS A 32 -9.700 3.515 -2.012 1.00 0.00 C ATOM 514 CE LYS A 32 -9.728 2.114 -2.602 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.056 1.085 -1.577 1.00 0.00 N ATOM 0 H LYS A 32 -11.895 6.772 1.313 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.640 4.109 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.957 5.762 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.246 5.877 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.391 3.146 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.791 3.942 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.406 4.229 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.947 3.565 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.464 2.073 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.759 1.888 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.789 0.144 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.531 1.287 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.077 1.104 -1.381 1.00 0.00 H new ATOM 529 N LEU A 33 -9.155 6.311 2.230 1.00 0.00 N ATOM 530 CA LEU A 33 -7.891 6.921 2.646 1.00 0.00 C ATOM 531 C LEU A 33 -6.806 5.858 2.802 1.00 0.00 C ATOM 532 O LEU A 33 -6.295 5.630 3.895 1.00 0.00 O ATOM 533 CB LEU A 33 -8.079 7.693 3.956 1.00 0.00 C ATOM 534 CG LEU A 33 -6.790 8.186 4.621 1.00 0.00 C ATOM 535 CD1 LEU A 33 -5.906 8.926 3.629 1.00 0.00 C ATOM 536 CD2 LEU A 33 -7.114 9.071 5.817 1.00 0.00 C ATOM 0 H LEU A 33 -9.890 6.346 2.936 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.574 7.621 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.719 8.554 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.610 7.054 4.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.238 7.315 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.999 9.263 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.640 8.258 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.444 9.788 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.187 9.413 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.694 9.932 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.693 8.502 6.544 1.00 0.00 H new ATOM 548 N GLU A 34 -6.455 5.205 1.697 1.00 0.00 N ATOM 549 CA GLU A 34 -5.435 4.165 1.720 1.00 0.00 C ATOM 550 C GLU A 34 -4.272 4.515 0.804 1.00 0.00 C ATOM 551 O GLU A 34 -4.204 5.617 0.262 1.00 0.00 O ATOM 552 CB GLU A 34 -6.032 2.818 1.308 1.00 0.00 C ATOM 553 CG GLU A 34 -5.545 1.654 2.155 1.00 0.00 C ATOM 554 CD GLU A 34 -5.544 0.341 1.397 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.341 0.206 0.444 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.746 -0.551 1.753 1.00 0.00 O ATOM 0 H GLU A 34 -6.862 5.378 0.778 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.060 4.092 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.118 2.876 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.786 2.625 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.536 1.865 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.180 1.560 3.036 1.00 0.00 H new ATOM 563 N PHE A 35 -3.348 3.574 0.656 1.00 0.00 N ATOM 564 CA PHE A 35 -2.175 3.780 -0.178 1.00 0.00 C ATOM 565 C PHE A 35 -2.093 2.750 -1.311 1.00 0.00 C ATOM 566 O PHE A 35 -2.800 1.743 -1.304 1.00 0.00 O ATOM 567 CB PHE A 35 -0.892 3.734 0.667 1.00 0.00 C ATOM 568 CG PHE A 35 -1.053 3.151 2.049 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.977 3.671 2.944 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.267 2.084 2.453 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.113 3.136 4.211 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.400 1.546 3.718 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.325 2.072 4.599 1.00 0.00 C ATOM 0 H PHE A 35 -3.390 2.659 1.105 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.270 4.768 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.143 3.152 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.501 4.747 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.597 4.504 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.459 1.668 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.836 3.551 4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.219 0.714 4.019 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.431 1.652 5.588 1.00 0.00 H new ATOM 583 N PRO A 36 -1.193 2.987 -2.287 1.00 0.00 N ATOM 584 CA PRO A 36 -0.959 2.086 -3.429 1.00 0.00 C ATOM 585 C PRO A 36 -0.805 0.632 -2.991 1.00 0.00 C ATOM 586 O PRO A 36 -0.680 0.352 -1.799 1.00 0.00 O ATOM 587 CB PRO A 36 0.354 2.602 -4.044 1.00 0.00 C ATOM 588 CG PRO A 36 0.899 3.583 -3.061 1.00 0.00 C ATOM 589 CD PRO A 36 -0.291 4.146 -2.348 1.00 0.00 C ATOM 0 HA PRO A 36 -1.796 2.092 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.056 1.785 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.176 3.073 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.581 3.099 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.462 4.369 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.034 4.515 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.735 4.979 -2.892 1.00 0.00 H new ATOM 597 N GLY A 37 -0.816 -0.300 -3.951 1.00 0.00 N ATOM 598 CA GLY A 37 -0.675 -1.700 -3.594 1.00 0.00 C ATOM 599 C GLY A 37 -1.964 -2.498 -3.632 1.00 0.00 C ATOM 600 O GLY A 37 -2.407 -3.057 -2.628 1.00 0.00 O ATOM 0 H GLY A 37 -0.918 -0.111 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.043 -2.163 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.254 -1.764 -2.591 1.00 0.00 H new ATOM 604 N GLY A 38 -2.544 -2.550 -4.804 1.00 0.00 N ATOM 605 CA GLY A 38 -3.774 -3.290 -5.018 1.00 0.00 C ATOM 606 C GLY A 38 -3.733 -4.108 -6.300 1.00 0.00 C ATOM 607 O GLY A 38 -3.793 -3.537 -7.391 1.00 0.00 O ATOM 0 H GLY A 38 -2.184 -2.085 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.950 -3.953 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.613 -2.595 -5.058 1.00 0.00 H new ATOM 611 N LYS A 39 -3.630 -5.444 -6.168 1.00 0.00 N ATOM 612 CA LYS A 39 -3.582 -6.366 -7.314 1.00 0.00 C ATOM 613 C LYS A 39 -2.188 -6.964 -7.502 1.00 0.00 C ATOM 614 O LYS A 39 -1.892 -7.536 -8.552 1.00 0.00 O ATOM 615 CB LYS A 39 -4.021 -5.693 -8.618 1.00 0.00 C ATOM 616 CG LYS A 39 -4.114 -6.656 -9.789 1.00 0.00 C ATOM 617 CD LYS A 39 -5.376 -6.429 -10.609 1.00 0.00 C ATOM 618 CE LYS A 39 -6.209 -7.696 -10.718 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.351 -8.383 -9.405 1.00 0.00 N ATOM 0 H LYS A 39 -3.578 -5.912 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.285 -7.166 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.992 -5.221 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.316 -4.899 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.239 -6.537 -10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.101 -7.681 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.972 -5.640 -10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.105 -6.084 -11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.197 -7.448 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.746 -8.374 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.243 -8.917 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.554 -9.036 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.355 -7.676 -8.642 1.00 0.00 H new ATOM 633 N ILE A 40 -1.335 -6.849 -6.489 1.00 0.00 N ATOM 634 CA ILE A 40 0.014 -7.406 -6.581 1.00 0.00 C ATOM 635 C ILE A 40 -0.058 -8.914 -6.730 1.00 0.00 C ATOM 636 O ILE A 40 0.761 -9.538 -7.403 1.00 0.00 O ATOM 637 CB ILE A 40 0.903 -7.034 -5.365 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.928 -8.149 -4.300 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.440 -5.719 -4.760 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.304 -8.391 -3.714 1.00 0.00 C ATOM 0 H ILE A 40 -1.547 -6.383 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 40 0.481 -6.966 -7.462 1.00 0.00 H new ATOM 0 HB ILE A 40 1.925 -6.918 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.240 -7.889 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.563 -9.075 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.071 -5.468 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.510 -4.929 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.594 -5.815 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.249 -9.188 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.992 -8.682 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.663 -7.478 -3.240 1.00 0.00 H new ATOM 652 N GLU A 41 -1.054 -9.478 -6.073 1.00 0.00 N ATOM 653 CA GLU A 41 -1.288 -10.913 -6.079 1.00 0.00 C ATOM 654 C GLU A 41 -1.228 -11.479 -7.497 1.00 0.00 C ATOM 655 O GLU A 41 -0.174 -11.933 -7.940 1.00 0.00 O ATOM 656 CB GLU A 41 -2.640 -11.221 -5.428 1.00 0.00 C ATOM 657 CG GLU A 41 -3.720 -10.183 -5.727 1.00 0.00 C ATOM 658 CD GLU A 41 -5.012 -10.808 -6.219 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.089 -11.145 -7.419 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.947 -10.960 -5.404 1.00 0.00 O ATOM 0 H GLU A 41 -1.728 -8.952 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.498 -11.394 -5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.983 -12.197 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.505 -11.291 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.921 -9.604 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.350 -9.485 -6.478 1.00 0.00 H new ATOM 667 N MET A 42 -2.357 -11.444 -8.203 1.00 0.00 N ATOM 668 CA MET A 42 -2.429 -11.953 -9.572 1.00 0.00 C ATOM 669 C MET A 42 -1.789 -13.339 -9.686 1.00 0.00 C ATOM 670 O MET A 42 -2.478 -14.357 -9.608 1.00 0.00 O ATOM 671 CB MET A 42 -1.761 -10.971 -10.542 1.00 0.00 C ATOM 672 CG MET A 42 -2.723 -10.372 -11.552 1.00 0.00 C ATOM 673 SD MET A 42 -1.914 -9.229 -12.689 1.00 0.00 S ATOM 674 CE MET A 42 -0.925 -8.264 -11.551 1.00 0.00 C ATOM 0 H MET A 42 -3.236 -11.068 -7.849 1.00 0.00 H new ATOM 0 HA MET A 42 -3.481 -12.050 -9.839 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.298 -10.166 -9.971 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.961 -11.485 -11.074 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.192 -11.174 -12.122 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.520 -9.849 -11.023 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.592 -7.350 -12.043 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.523 -8.008 -10.676 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.057 -8.845 -11.240 1.00 0.00 H new ATOM 684 N GLY A 43 -0.472 -13.374 -9.869 1.00 0.00 N ATOM 685 CA GLY A 43 0.227 -14.640 -9.988 1.00 0.00 C ATOM 686 C GLY A 43 1.728 -14.476 -10.071 1.00 0.00 C ATOM 687 O GLY A 43 2.417 -15.278 -10.700 1.00 0.00 O ATOM 0 H GLY A 43 0.123 -12.548 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.018 -15.267 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.126 -15.163 -10.877 1.00 0.00 H new ATOM 691 N GLU A 44 2.231 -13.432 -9.438 1.00 0.00 N ATOM 692 CA GLU A 44 3.663 -13.151 -9.439 1.00 0.00 C ATOM 693 C GLU A 44 4.328 -13.714 -8.185 1.00 0.00 C ATOM 694 O GLU A 44 3.738 -14.531 -7.478 1.00 0.00 O ATOM 695 CB GLU A 44 3.900 -11.643 -9.544 1.00 0.00 C ATOM 696 CG GLU A 44 4.369 -11.200 -10.920 1.00 0.00 C ATOM 697 CD GLU A 44 3.279 -10.504 -11.712 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.138 -11.011 -11.724 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.567 -9.452 -12.319 1.00 0.00 O ATOM 0 H GLU A 44 1.671 -12.760 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 44 4.112 -13.638 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.976 -11.120 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.642 -11.347 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.219 -10.527 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.720 -12.069 -11.477 1.00 0.00 H new ATOM 706 N THR A 45 5.554 -13.276 -7.905 1.00 0.00 N ATOM 707 CA THR A 45 6.276 -13.742 -6.732 1.00 0.00 C ATOM 708 C THR A 45 6.111 -12.745 -5.590 1.00 0.00 C ATOM 709 O THR A 45 5.740 -11.594 -5.818 1.00 0.00 O ATOM 710 CB THR A 45 7.762 -13.932 -7.061 1.00 0.00 C ATOM 711 OG1 THR A 45 8.014 -13.654 -8.427 1.00 0.00 O ATOM 712 CG2 THR A 45 8.266 -15.332 -6.784 1.00 0.00 C ATOM 0 H THR A 45 6.064 -12.601 -8.475 1.00 0.00 H new ATOM 0 HA THR A 45 5.864 -14.703 -6.424 1.00 0.00 H new ATOM 0 HB THR A 45 8.289 -13.236 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.926 -13.311 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.324 -15.395 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.133 -15.564 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.704 -16.047 -7.386 1.00 0.00 H new ATOM 720 N PRO A 46 6.383 -13.164 -4.342 1.00 0.00 N ATOM 721 CA PRO A 46 6.262 -12.294 -3.173 1.00 0.00 C ATOM 722 C PRO A 46 6.848 -10.907 -3.424 1.00 0.00 C ATOM 723 O PRO A 46 6.422 -9.924 -2.818 1.00 0.00 O ATOM 724 CB PRO A 46 7.059 -13.034 -2.083 1.00 0.00 C ATOM 725 CG PRO A 46 7.684 -14.212 -2.760 1.00 0.00 C ATOM 726 CD PRO A 46 6.831 -14.503 -3.957 1.00 0.00 C ATOM 0 HA PRO A 46 5.221 -12.117 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.819 -12.386 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.406 -13.352 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.710 -13.992 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.723 -15.071 -2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.396 -14.989 -4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.995 -15.159 -3.713 1.00 0.00 H new ATOM 734 N GLU A 47 7.827 -10.835 -4.323 1.00 0.00 N ATOM 735 CA GLU A 47 8.467 -9.569 -4.652 1.00 0.00 C ATOM 736 C GLU A 47 7.992 -9.036 -6.004 1.00 0.00 C ATOM 737 O GLU A 47 7.615 -7.872 -6.118 1.00 0.00 O ATOM 738 CB GLU A 47 9.989 -9.734 -4.664 1.00 0.00 C ATOM 739 CG GLU A 47 10.642 -9.448 -3.320 1.00 0.00 C ATOM 740 CD GLU A 47 11.069 -10.711 -2.598 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.936 -11.434 -3.130 1.00 0.00 O ATOM 742 OE2 GLU A 47 10.536 -10.977 -1.501 1.00 0.00 O ATOM 0 H GLU A 47 8.192 -11.638 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 47 8.186 -8.846 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.234 -10.752 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.413 -9.066 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.512 -8.809 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.945 -8.893 -2.692 1.00 0.00 H new ATOM 749 N GLN A 48 8.020 -9.888 -7.029 1.00 0.00 N ATOM 750 CA GLN A 48 7.607 -9.488 -8.373 1.00 0.00 C ATOM 751 C GLN A 48 6.104 -9.228 -8.460 1.00 0.00 C ATOM 752 O GLN A 48 5.608 -8.786 -9.496 1.00 0.00 O ATOM 753 CB GLN A 48 8.008 -10.557 -9.390 1.00 0.00 C ATOM 754 CG GLN A 48 9.374 -10.322 -10.015 1.00 0.00 C ATOM 755 CD GLN A 48 9.609 -11.180 -11.241 1.00 0.00 C ATOM 756 OE1 GLN A 48 9.606 -12.409 -11.164 1.00 0.00 O ATOM 757 NE2 GLN A 48 9.813 -10.536 -12.385 1.00 0.00 N ATOM 0 H GLN A 48 8.324 -10.859 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 48 8.118 -8.553 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.004 -11.531 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.258 -10.594 -10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.469 -9.271 -10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.148 -10.530 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.807 -9.516 -12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.975 -11.061 -13.244 1.00 0.00 H new ATOM 766 N ALA A 49 5.383 -9.482 -7.374 1.00 0.00 N ATOM 767 CA ALA A 49 3.947 -9.250 -7.352 1.00 0.00 C ATOM 768 C ALA A 49 3.654 -7.774 -7.121 1.00 0.00 C ATOM 769 O ALA A 49 2.854 -7.166 -7.831 1.00 0.00 O ATOM 770 CB ALA A 49 3.289 -10.099 -6.275 1.00 0.00 C ATOM 0 H ALA A 49 5.768 -9.847 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 49 3.533 -9.538 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.215 -9.914 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.475 -11.154 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.705 -9.839 -5.302 1.00 0.00 H new ATOM 776 N VAL A 50 4.338 -7.200 -6.139 1.00 0.00 N ATOM 777 CA VAL A 50 4.182 -5.785 -5.831 1.00 0.00 C ATOM 778 C VAL A 50 4.992 -4.917 -6.788 1.00 0.00 C ATOM 779 O VAL A 50 4.545 -3.847 -7.189 1.00 0.00 O ATOM 780 CB VAL A 50 4.565 -5.439 -4.377 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.882 -6.088 -3.983 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.628 -3.926 -4.195 1.00 0.00 C ATOM 0 H VAL A 50 5.005 -7.692 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 50 3.120 -5.572 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 50 3.794 -5.838 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.124 -5.825 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.794 -7.171 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.674 -5.734 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.899 -3.694 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.376 -3.509 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.654 -3.492 -4.420 1.00 0.00 H new ATOM 792 N VAL A 51 6.193 -5.368 -7.136 1.00 0.00 N ATOM 793 CA VAL A 51 7.060 -4.604 -8.025 1.00 0.00 C ATOM 794 C VAL A 51 6.321 -4.177 -9.286 1.00 0.00 C ATOM 795 O VAL A 51 6.550 -3.086 -9.806 1.00 0.00 O ATOM 796 CB VAL A 51 8.324 -5.400 -8.415 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.254 -4.553 -9.273 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.047 -5.894 -7.170 1.00 0.00 C ATOM 0 H VAL A 51 6.586 -6.254 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 51 7.366 -3.715 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 51 8.015 -6.265 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.138 -5.135 -9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.735 -4.251 -10.183 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.556 -3.666 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.936 -6.453 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.340 -5.042 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.384 -6.542 -6.597 1.00 0.00 H new ATOM 808 N ARG A 52 5.431 -5.034 -9.772 1.00 0.00 N ATOM 809 CA ARG A 52 4.665 -4.722 -10.972 1.00 0.00 C ATOM 810 C ARG A 52 3.520 -3.764 -10.658 1.00 0.00 C ATOM 811 O ARG A 52 3.120 -2.959 -11.498 1.00 0.00 O ATOM 812 CB ARG A 52 4.127 -6.003 -11.615 1.00 0.00 C ATOM 813 CG ARG A 52 4.789 -6.341 -12.940 1.00 0.00 C ATOM 814 CD ARG A 52 3.950 -5.870 -14.118 1.00 0.00 C ATOM 815 NE ARG A 52 4.628 -6.085 -15.393 1.00 0.00 N ATOM 816 CZ ARG A 52 5.672 -5.370 -15.808 1.00 0.00 C ATOM 817 NH1 ARG A 52 6.162 -4.396 -15.050 1.00 0.00 N ATOM 818 NH2 ARG A 52 6.229 -5.631 -16.982 1.00 0.00 N ATOM 0 H ARG A 52 5.223 -5.943 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 52 5.334 -4.231 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.270 -6.834 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.053 -5.899 -11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.774 -5.877 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.941 -7.418 -13.008 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.998 -6.400 -14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.724 -4.810 -14.002 1.00 0.00 H new ATOM 0 HE ARG A 52 4.282 -6.827 -16.002 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.739 -4.192 -14.145 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.962 -3.852 -15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.858 -6.379 -17.567 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.029 -5.083 -17.300 1.00 0.00 H new ATOM 832 N GLU A 53 3.032 -3.832 -9.429 1.00 0.00 N ATOM 833 CA GLU A 53 1.970 -2.942 -8.979 1.00 0.00 C ATOM 834 C GLU A 53 2.576 -1.586 -8.634 1.00 0.00 C ATOM 835 O GLU A 53 1.971 -0.538 -8.847 1.00 0.00 O ATOM 836 CB GLU A 53 1.248 -3.540 -7.764 1.00 0.00 C ATOM 837 CG GLU A 53 -0.171 -4.017 -8.055 1.00 0.00 C ATOM 838 CD GLU A 53 -0.316 -4.664 -9.420 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.608 -5.395 -9.833 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.357 -4.439 -10.074 1.00 0.00 O ATOM 0 H GLU A 53 3.354 -4.495 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 53 1.235 -2.817 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.831 -4.379 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.213 -2.792 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.472 -4.731 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.853 -3.170 -7.987 1.00 0.00 H new ATOM 847 N LEU A 54 3.770 -1.647 -8.053 1.00 0.00 N ATOM 848 CA LEU A 54 4.466 -0.445 -7.618 1.00 0.00 C ATOM 849 C LEU A 54 4.447 0.569 -8.749 1.00 0.00 C ATOM 850 O LEU A 54 4.091 1.731 -8.552 1.00 0.00 O ATOM 851 CB LEU A 54 5.905 -0.786 -7.234 1.00 0.00 C ATOM 852 CG LEU A 54 6.394 -0.136 -5.943 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.214 -1.083 -4.769 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.847 0.287 -6.083 1.00 0.00 C ATOM 0 H LEU A 54 4.274 -2.516 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 54 3.968 -0.024 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.993 -1.868 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.564 -0.485 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 54 5.796 0.755 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.568 -0.603 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.158 -1.333 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.786 -1.994 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.182 0.749 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.462 -0.588 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.940 1.003 -6.899 1.00 0.00 H new ATOM 866 N GLN A 55 4.817 0.118 -9.938 1.00 0.00 N ATOM 867 CA GLN A 55 4.825 0.988 -11.112 1.00 0.00 C ATOM 868 C GLN A 55 3.399 1.217 -11.606 1.00 0.00 C ATOM 869 O GLN A 55 3.089 2.246 -12.206 1.00 0.00 O ATOM 870 CB GLN A 55 5.677 0.371 -12.227 1.00 0.00 C ATOM 871 CG GLN A 55 6.929 1.171 -12.548 1.00 0.00 C ATOM 872 CD GLN A 55 6.751 2.073 -13.753 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.771 1.959 -14.490 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.701 2.979 -13.960 1.00 0.00 N ATOM 0 H GLN A 55 5.115 -0.841 -10.119 1.00 0.00 H new ATOM 0 HA GLN A 55 5.259 1.948 -10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.966 -0.639 -11.936 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.071 0.282 -13.129 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.201 1.776 -11.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.757 0.486 -12.731 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.496 3.039 -13.324 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.635 3.615 -14.755 1.00 0.00 H new ATOM 883 N GLU A 56 2.539 0.244 -11.332 1.00 0.00 N ATOM 884 CA GLU A 56 1.140 0.319 -11.726 1.00 0.00 C ATOM 885 C GLU A 56 0.389 1.333 -10.868 1.00 0.00 C ATOM 886 O GLU A 56 -0.617 1.896 -11.294 1.00 0.00 O ATOM 887 CB GLU A 56 0.476 -1.054 -11.605 1.00 0.00 C ATOM 888 CG GLU A 56 -0.424 -1.404 -12.778 1.00 0.00 C ATOM 889 CD GLU A 56 -1.894 -1.420 -12.402 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.211 -1.825 -11.264 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.727 -1.026 -13.246 1.00 0.00 O ATOM 0 H GLU A 56 2.789 -0.611 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 56 1.100 0.643 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.251 -1.815 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.111 -1.084 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.266 -0.683 -13.580 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.142 -2.382 -13.168 1.00 0.00 H new ATOM 898 N GLU A 57 0.880 1.551 -9.649 1.00 0.00 N ATOM 899 CA GLU A 57 0.253 2.487 -8.723 1.00 0.00 C ATOM 900 C GLU A 57 1.089 3.755 -8.533 1.00 0.00 C ATOM 901 O GLU A 57 0.754 4.606 -7.710 1.00 0.00 O ATOM 902 CB GLU A 57 0.014 1.813 -7.374 1.00 0.00 C ATOM 903 CG GLU A 57 -1.177 0.868 -7.371 1.00 0.00 C ATOM 904 CD GLU A 57 -0.771 -0.582 -7.536 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.288 -1.179 -6.552 1.00 0.00 O ATOM 906 OE2 GLU A 57 -0.940 -1.119 -8.650 1.00 0.00 O ATOM 0 H GLU A 57 1.712 1.090 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.702 2.784 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.908 1.258 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.139 2.580 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.725 0.984 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.858 1.145 -8.176 1.00 0.00 H new ATOM 913 N VAL A 58 2.170 3.884 -9.300 1.00 0.00 N ATOM 914 CA VAL A 58 3.034 5.055 -9.212 1.00 0.00 C ATOM 915 C VAL A 58 3.357 5.575 -10.602 1.00 0.00 C ATOM 916 O VAL A 58 3.305 6.777 -10.857 1.00 0.00 O ATOM 917 CB VAL A 58 4.350 4.747 -8.471 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.154 6.017 -8.252 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.077 4.069 -7.145 1.00 0.00 C ATOM 0 H VAL A 58 2.466 3.192 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 58 2.491 5.812 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 58 4.933 4.068 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.079 5.776 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.390 6.469 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.571 6.719 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.021 3.862 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.468 4.723 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.545 3.133 -7.317 1.00 0.00 H new ATOM 929 N GLY A 59 3.675 4.653 -11.506 1.00 0.00 N ATOM 930 CA GLY A 59 3.984 5.015 -12.877 1.00 0.00 C ATOM 931 C GLY A 59 5.288 5.764 -13.029 1.00 0.00 C ATOM 932 O GLY A 59 6.053 5.517 -13.962 1.00 0.00 O ATOM 0 H GLY A 59 3.724 3.653 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.023 4.109 -13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.175 5.629 -13.273 1.00 0.00 H new ATOM 936 N ILE A 60 5.534 6.677 -12.117 1.00 0.00 N ATOM 937 CA ILE A 60 6.742 7.479 -12.136 1.00 0.00 C ATOM 938 C ILE A 60 7.931 6.681 -11.622 1.00 0.00 C ATOM 939 O ILE A 60 7.820 5.487 -11.346 1.00 0.00 O ATOM 940 CB ILE A 60 6.612 8.761 -11.281 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.606 8.601 -10.144 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.248 9.954 -12.150 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.043 9.293 -8.869 1.00 0.00 C ATOM 0 H ILE A 60 4.905 6.886 -11.341 1.00 0.00 H new ATOM 0 HA ILE A 60 6.898 7.765 -13.176 1.00 0.00 H new ATOM 0 HB ILE A 60 7.587 8.939 -10.827 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.643 9.003 -10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.458 7.540 -9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.162 10.845 -11.528 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.024 10.109 -12.899 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.296 9.765 -12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.288 9.144 -8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.992 8.874 -8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.164 10.360 -9.057 1.00 0.00 H new ATOM 955 N THR A 61 9.069 7.354 -11.501 1.00 0.00 N ATOM 956 CA THR A 61 10.283 6.734 -11.027 1.00 0.00 C ATOM 957 C THR A 61 10.658 7.295 -9.661 1.00 0.00 C ATOM 958 O THR A 61 11.366 8.299 -9.570 1.00 0.00 O ATOM 959 CB THR A 61 11.388 7.029 -12.022 1.00 0.00 C ATOM 960 OG1 THR A 61 11.178 8.288 -12.641 1.00 0.00 O ATOM 961 CG2 THR A 61 11.497 5.994 -13.118 1.00 0.00 C ATOM 0 H THR A 61 9.168 8.343 -11.730 1.00 0.00 H new ATOM 0 HA THR A 61 10.138 5.658 -10.931 1.00 0.00 H new ATOM 0 HB THR A 61 12.311 7.020 -11.443 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.901 8.464 -13.279 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.307 6.265 -13.795 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.704 5.018 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.559 5.951 -13.672 1.00 0.00 H new ATOM 969 N PRO A 62 10.157 6.688 -8.577 1.00 0.00 N ATOM 970 CA PRO A 62 10.397 7.147 -7.227 1.00 0.00 C ATOM 971 C PRO A 62 11.323 6.249 -6.428 1.00 0.00 C ATOM 972 O PRO A 62 11.308 5.029 -6.595 1.00 0.00 O ATOM 973 CB PRO A 62 8.988 7.019 -6.672 1.00 0.00 C ATOM 974 CG PRO A 62 8.504 5.723 -7.244 1.00 0.00 C ATOM 975 CD PRO A 62 9.250 5.528 -8.549 1.00 0.00 C ATOM 0 HA PRO A 62 10.873 8.127 -7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.986 7.003 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.358 7.854 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.699 4.899 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.427 5.750 -7.412 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.797 4.585 -8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.575 5.521 -9.405 1.00 0.00 H new ATOM 983 N GLN A 63 12.077 6.839 -5.504 1.00 0.00 N ATOM 984 CA GLN A 63 12.923 6.040 -4.643 1.00 0.00 C ATOM 985 C GLN A 63 11.993 5.378 -3.645 1.00 0.00 C ATOM 986 O GLN A 63 11.811 5.850 -2.523 1.00 0.00 O ATOM 987 CB GLN A 63 13.962 6.908 -3.929 1.00 0.00 C ATOM 988 CG GLN A 63 15.034 7.461 -4.853 1.00 0.00 C ATOM 989 CD GLN A 63 15.948 8.450 -4.157 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.841 9.659 -4.358 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.856 7.939 -3.333 1.00 0.00 N ATOM 0 H GLN A 63 12.116 7.845 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 63 13.484 5.302 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.454 7.738 -3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.439 6.319 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.629 6.637 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.559 7.948 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.910 6.930 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.500 8.556 -2.837 1.00 0.00 H new ATOM 1000 N HIS A 64 11.360 4.314 -4.108 1.00 0.00 N ATOM 1001 CA HIS A 64 10.375 3.590 -3.327 1.00 0.00 C ATOM 1002 C HIS A 64 10.762 2.124 -3.207 1.00 0.00 C ATOM 1003 O HIS A 64 11.050 1.467 -4.207 1.00 0.00 O ATOM 1004 CB HIS A 64 9.019 3.754 -4.029 1.00 0.00 C ATOM 1005 CG HIS A 64 7.961 2.754 -3.655 1.00 0.00 C ATOM 1006 ND1 HIS A 64 8.018 1.954 -2.532 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.810 2.423 -4.286 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.952 1.173 -2.494 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.204 1.440 -3.545 1.00 0.00 N ATOM 0 H HIS A 64 11.516 3.928 -5.039 1.00 0.00 H new ATOM 0 HA HIS A 64 10.319 3.986 -2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.639 4.753 -3.815 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.180 3.698 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.437 2.853 -5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.732 0.441 -1.731 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.318 0.989 -3.771 1.00 0.00 H new ATOM 1018 N PHE A 65 10.774 1.615 -1.979 1.00 0.00 N ATOM 1019 CA PHE A 65 11.135 0.234 -1.741 1.00 0.00 C ATOM 1020 C PHE A 65 11.112 -0.097 -0.252 1.00 0.00 C ATOM 1021 O PHE A 65 10.722 0.723 0.571 1.00 0.00 O ATOM 1022 CB PHE A 65 12.529 -0.006 -2.282 1.00 0.00 C ATOM 1023 CG PHE A 65 12.706 -1.350 -2.926 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.776 -1.813 -3.843 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.796 -2.150 -2.621 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.928 -3.046 -4.446 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.953 -3.386 -3.220 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.018 -3.834 -4.134 1.00 0.00 C ATOM 0 H PHE A 65 10.537 2.142 -1.139 1.00 0.00 H new ATOM 0 HA PHE A 65 10.410 -0.406 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.764 0.770 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.247 0.094 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.921 -1.201 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.530 -1.804 -1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.196 -3.393 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.806 -4.001 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.140 -4.799 -4.603 1.00 0.00 H new ATOM 1038 N SER A 66 11.547 -1.308 0.079 1.00 0.00 N ATOM 1039 CA SER A 66 11.601 -1.768 1.463 1.00 0.00 C ATOM 1040 C SER A 66 10.206 -2.057 1.988 1.00 0.00 C ATOM 1041 O SER A 66 9.224 -1.547 1.458 1.00 0.00 O ATOM 1042 CB SER A 66 12.291 -0.731 2.353 1.00 0.00 C ATOM 1043 OG SER A 66 13.067 -1.358 3.360 1.00 0.00 O ATOM 0 H SER A 66 11.871 -1.996 -0.601 1.00 0.00 H new ATOM 0 HA SER A 66 12.182 -2.690 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.929 -0.091 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.542 -0.087 2.815 1.00 0.00 H new ATOM 0 HG SER A 66 13.499 -0.674 3.914 1.00 0.00 H new ATOM 1049 N LEU A 67 10.126 -2.885 3.024 1.00 0.00 N ATOM 1050 CA LEU A 67 8.843 -3.246 3.615 1.00 0.00 C ATOM 1051 C LEU A 67 8.789 -2.864 5.088 1.00 0.00 C ATOM 1052 O LEU A 67 9.600 -3.331 5.888 1.00 0.00 O ATOM 1053 CB LEU A 67 8.592 -4.749 3.456 1.00 0.00 C ATOM 1054 CG LEU A 67 9.457 -5.649 4.340 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.677 -6.107 5.563 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.964 -6.847 3.550 1.00 0.00 C ATOM 0 H LEU A 67 10.934 -3.318 3.471 1.00 0.00 H new ATOM 0 HA LEU A 67 8.064 -2.693 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.543 -4.951 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.759 -5.021 2.414 1.00 0.00 H new ATOM 0 HG LEU A 67 10.317 -5.072 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.309 -6.746 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.365 -5.238 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.797 -6.666 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.577 -7.475 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.116 -7.424 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.562 -6.500 2.707 1.00 0.00 H new ATOM 1068 N PHE A 68 7.841 -1.998 5.446 1.00 0.00 N ATOM 1069 CA PHE A 68 7.708 -1.549 6.823 1.00 0.00 C ATOM 1070 C PHE A 68 7.078 -2.645 7.686 1.00 0.00 C ATOM 1071 O PHE A 68 7.429 -2.808 8.854 1.00 0.00 O ATOM 1072 CB PHE A 68 6.858 -0.265 6.876 1.00 0.00 C ATOM 1073 CG PHE A 68 5.682 -0.326 7.819 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.563 -1.082 7.503 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.698 0.370 9.017 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.483 -1.144 8.365 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.620 0.315 9.883 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.511 -0.443 9.557 1.00 0.00 C ATOM 0 H PHE A 68 7.159 -1.598 4.802 1.00 0.00 H new ATOM 0 HA PHE A 68 8.700 -1.331 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.499 0.567 7.169 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.491 -0.047 5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.535 -1.629 6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.562 0.963 9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.619 -1.739 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.645 0.864 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.669 -0.488 10.231 1.00 0.00 H new ATOM 1088 N GLU A 69 6.147 -3.388 7.097 1.00 0.00 N ATOM 1089 CA GLU A 69 5.465 -4.466 7.808 1.00 0.00 C ATOM 1090 C GLU A 69 4.604 -5.289 6.854 1.00 0.00 C ATOM 1091 O GLU A 69 4.369 -4.895 5.716 1.00 0.00 O ATOM 1092 CB GLU A 69 4.596 -3.895 8.929 1.00 0.00 C ATOM 1093 CG GLU A 69 4.500 -4.800 10.147 1.00 0.00 C ATOM 1094 CD GLU A 69 4.158 -4.040 11.413 1.00 0.00 C ATOM 1095 OE1 GLU A 69 3.071 -3.428 11.463 1.00 0.00 O ATOM 1096 OE2 GLU A 69 4.978 -4.058 12.356 1.00 0.00 O ATOM 0 H GLU A 69 5.847 -3.265 6.130 1.00 0.00 H new ATOM 0 HA GLU A 69 6.224 -5.118 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.000 -2.930 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.593 -3.712 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.742 -5.563 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.448 -5.320 10.285 1.00 0.00 H new ATOM 1103 N LYS A 70 4.126 -6.432 7.328 1.00 0.00 N ATOM 1104 CA LYS A 70 3.274 -7.297 6.521 1.00 0.00 C ATOM 1105 C LYS A 70 2.218 -7.954 7.404 1.00 0.00 C ATOM 1106 O LYS A 70 2.542 -8.480 8.468 1.00 0.00 O ATOM 1107 CB LYS A 70 4.111 -8.364 5.812 1.00 0.00 C ATOM 1108 CG LYS A 70 5.192 -8.975 6.689 1.00 0.00 C ATOM 1109 CD LYS A 70 5.117 -10.494 6.699 1.00 0.00 C ATOM 1110 CE LYS A 70 4.557 -11.017 8.012 1.00 0.00 C ATOM 1111 NZ LYS A 70 5.628 -11.250 9.020 1.00 0.00 N ATOM 0 H LYS A 70 4.314 -6.782 8.267 1.00 0.00 H new ATOM 0 HA LYS A 70 2.777 -6.691 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.451 -9.156 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.577 -7.922 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.172 -8.661 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.090 -8.599 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.490 -10.834 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.111 -10.909 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.835 -10.303 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.019 -11.948 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.204 -11.606 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.304 -11.950 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.125 -10.357 9.211 1.00 0.00 H new ATOM 1125 N LEU A 71 0.954 -7.924 6.981 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.101 -8.525 7.781 1.00 0.00 C ATOM 1127 C LEU A 71 -0.465 -9.928 7.286 1.00 0.00 C ATOM 1128 O LEU A 71 -0.931 -10.120 6.164 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.337 -7.607 7.780 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.685 -8.268 7.456 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.197 -9.050 8.655 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.703 -7.221 7.023 1.00 0.00 C ATOM 0 H LEU A 71 0.645 -7.498 6.107 1.00 0.00 H new ATOM 0 HA LEU A 71 0.267 -8.634 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.414 -7.139 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.167 -6.808 7.058 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.538 -8.964 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.153 -9.511 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.477 -9.825 8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.328 -8.375 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.652 -7.708 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.847 -6.499 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.339 -6.706 6.134 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.197 -10.896 8.147 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.445 -12.286 7.830 1.00 0.00 C ATOM 1146 C GLU A 72 -1.524 -12.883 8.729 1.00 0.00 C ATOM 1147 O GLU A 72 -1.307 -13.126 9.916 1.00 0.00 O ATOM 1148 CB GLU A 72 0.857 -13.073 7.949 1.00 0.00 C ATOM 1149 CG GLU A 72 0.673 -14.557 7.746 1.00 0.00 C ATOM 1150 CD GLU A 72 1.937 -15.349 8.015 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.263 -15.565 9.202 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.602 -15.754 7.039 1.00 0.00 O ATOM 0 H GLU A 72 0.195 -10.739 9.076 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.812 -12.348 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.570 -12.698 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.291 -12.898 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.120 -14.913 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.345 -14.741 6.723 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.687 -13.125 8.129 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.825 -13.706 8.830 1.00 0.00 C ATOM 1161 C TYR A 73 -4.568 -14.674 7.912 1.00 0.00 C ATOM 1162 O TYR A 73 -4.850 -14.347 6.759 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.774 -12.607 9.314 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.779 -13.079 10.340 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -5.402 -13.928 11.373 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -7.107 -12.674 10.277 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -6.318 -14.361 12.312 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -8.029 -13.101 11.214 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.630 -13.945 12.229 1.00 0.00 C ATOM 1170 OH TYR A 73 -8.545 -14.372 13.163 1.00 0.00 O ATOM 0 H TYR A 73 -2.865 -12.924 7.145 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.456 -14.253 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.186 -11.794 9.741 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.308 -12.197 8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.375 -14.255 11.443 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.424 -12.015 9.483 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.008 -15.022 13.108 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.057 -12.775 11.152 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.423 -13.986 12.961 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.879 -15.863 8.415 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.584 -16.858 7.609 1.00 0.00 C ATOM 1182 C GLU A 74 -6.987 -17.128 8.139 1.00 0.00 C ATOM 1183 O GLU A 74 -7.177 -17.447 9.313 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.795 -18.170 7.514 1.00 0.00 C ATOM 1185 CG GLU A 74 -4.092 -18.583 8.801 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.673 -19.060 8.562 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.766 -18.206 8.473 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.468 -20.289 8.463 1.00 0.00 O ATOM 0 H GLU A 74 -4.658 -16.161 9.365 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.675 -16.437 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.476 -18.967 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.051 -18.074 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.076 -17.738 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.662 -19.377 9.284 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.964 -17.002 7.247 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.358 -17.230 7.576 1.00 0.00 C ATOM 1197 C PHE A 75 -9.766 -18.652 7.191 1.00 0.00 C ATOM 1198 O PHE A 75 -9.067 -19.309 6.422 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.231 -16.209 6.845 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.597 -15.002 7.668 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.870 -15.114 9.025 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.668 -13.750 7.078 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -11.207 -14.001 9.772 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -11.002 -12.634 7.821 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.273 -12.760 9.169 1.00 0.00 C ATOM 0 H PHE A 75 -7.806 -16.738 6.274 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.497 -17.112 8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.708 -15.877 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.146 -16.701 6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.818 -16.082 9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.460 -13.645 6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.419 -14.102 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.051 -11.664 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.536 -11.889 9.751 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.902 -19.143 7.728 1.00 0.00 N ATOM 1216 CA PRO A 76 -11.424 -20.483 7.463 1.00 0.00 C ATOM 1217 C PRO A 76 -11.158 -20.963 6.040 1.00 0.00 C ATOM 1218 O PRO A 76 -12.026 -20.887 5.169 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.936 -20.336 7.712 1.00 0.00 C ATOM 1220 CG PRO A 76 -13.138 -18.952 8.257 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.781 -18.428 8.637 1.00 0.00 C ATOM 0 HA PRO A 76 -10.942 -21.229 8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.498 -20.477 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.289 -21.088 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.605 -18.308 7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.800 -18.971 9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.711 -17.348 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.543 -18.637 9.680 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.943 -21.456 5.826 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.505 -21.968 4.523 1.00 0.00 C ATOM 1231 C ASP A 77 -8.913 -20.857 3.661 1.00 0.00 C ATOM 1232 O ASP A 77 -7.837 -21.016 3.083 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.660 -22.647 3.777 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.172 -23.599 2.702 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -9.736 -24.716 3.051 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -10.228 -23.227 1.511 1.00 0.00 O ATOM 0 H ASP A 77 -9.228 -21.514 6.551 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.729 -22.710 4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.278 -23.193 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.294 -21.885 3.324 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.617 -19.735 3.574 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.154 -18.603 2.778 1.00 0.00 C ATOM 1243 C ARG A 78 -8.191 -17.732 3.578 1.00 0.00 C ATOM 1244 O ARG A 78 -8.592 -17.066 4.530 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.345 -17.766 2.308 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.166 -17.179 0.916 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.389 -17.412 0.042 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.020 -16.157 -0.362 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.827 -15.447 0.422 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.105 -15.863 1.652 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.359 -14.317 -0.023 1.00 0.00 N ATOM 0 H ARG A 78 -10.510 -19.584 4.044 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.625 -18.993 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.241 -18.386 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.510 -16.955 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.974 -16.109 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.291 -17.625 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.099 -17.974 -0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.111 -18.023 0.584 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.830 -15.805 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.699 -16.731 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.724 -15.314 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.150 -13.992 -0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.978 -13.773 0.578 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.921 -17.735 3.183 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.905 -16.942 3.859 1.00 0.00 C ATOM 1267 C HIS A 79 -5.604 -15.673 3.069 1.00 0.00 C ATOM 1268 O HIS A 79 -5.788 -15.631 1.852 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.634 -17.779 4.055 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.381 -16.976 4.248 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -3.108 -16.267 5.398 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.321 -16.780 3.427 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.937 -15.670 5.277 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.438 -15.965 4.092 1.00 0.00 N ATOM 0 H HIS A 79 -6.572 -18.281 2.395 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.280 -16.646 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.771 -18.427 4.920 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.505 -18.427 3.188 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.716 -16.212 6.215 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.194 -17.188 2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.467 -15.046 6.022 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.126 -14.645 3.763 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.781 -13.386 3.132 1.00 0.00 C ATOM 1285 C ILE A 80 -3.378 -12.969 3.560 1.00 0.00 C ATOM 1286 O ILE A 80 -2.971 -13.215 4.695 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.790 -12.273 3.501 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.217 -10.895 3.171 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.156 -12.350 4.975 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.265 -9.878 2.775 1.00 0.00 C ATOM 0 H ILE A 80 -4.970 -14.665 4.771 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.815 -13.527 2.052 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.693 -12.424 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.671 -10.522 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.497 -10.996 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.867 -11.559 5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.606 -13.319 5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.258 -12.227 5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.783 -8.925 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.796 -10.228 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.972 -9.747 3.594 1.00 0.00 H new ATOM 1302 N THR A 81 -2.639 -12.339 2.656 1.00 0.00 N ATOM 1303 CA THR A 81 -1.291 -11.894 2.953 1.00 0.00 C ATOM 1304 C THR A 81 -1.140 -10.419 2.600 1.00 0.00 C ATOM 1305 O THR A 81 -1.351 -10.023 1.454 1.00 0.00 O ATOM 1306 CB THR A 81 -0.288 -12.730 2.160 1.00 0.00 C ATOM 1307 OG1 THR A 81 -0.949 -13.523 1.190 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.536 -13.659 3.020 1.00 0.00 C ATOM 0 H THR A 81 -2.955 -12.126 1.710 1.00 0.00 H new ATOM 0 HA THR A 81 -1.097 -12.021 4.018 1.00 0.00 H new ATOM 0 HB THR A 81 0.379 -12.005 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.531 -14.409 1.152 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.226 -14.221 2.391 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.101 -13.076 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.124 -14.351 3.543 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.794 -9.606 3.590 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.640 -8.173 3.370 1.00 0.00 C ATOM 1318 C LEU A 82 0.816 -7.737 3.506 1.00 0.00 C ATOM 1319 O LEU A 82 1.395 -7.809 4.582 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.508 -7.403 4.374 1.00 0.00 C ATOM 1321 CG LEU A 82 -2.435 -6.334 3.782 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -1.806 -5.670 2.566 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.782 -6.939 3.423 1.00 0.00 C ATOM 0 H LEU A 82 -0.616 -9.911 4.547 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.962 -7.951 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.118 -8.121 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.851 -6.924 5.100 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.588 -5.566 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.487 -4.917 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.869 -5.195 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.611 -6.422 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.428 -6.167 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.641 -7.732 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.245 -7.353 4.319 1.00 0.00 H new ATOM 1335 N TRP A 83 1.407 -7.277 2.411 1.00 0.00 N ATOM 1336 CA TRP A 83 2.794 -6.825 2.435 1.00 0.00 C ATOM 1337 C TRP A 83 2.866 -5.308 2.329 1.00 0.00 C ATOM 1338 O TRP A 83 2.381 -4.724 1.366 1.00 0.00 O ATOM 1339 CB TRP A 83 3.589 -7.461 1.295 1.00 0.00 C ATOM 1340 CG TRP A 83 3.742 -8.940 1.444 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.825 -9.802 1.962 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.879 -9.730 1.079 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.314 -11.082 1.937 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.575 -11.066 1.402 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.122 -9.440 0.510 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.469 -12.109 1.173 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.009 -10.476 0.284 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.679 -11.796 0.616 1.00 0.00 C ATOM 0 H TRP A 83 0.952 -7.207 1.501 1.00 0.00 H new ATOM 0 HA TRP A 83 3.231 -7.134 3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.092 -7.246 0.349 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.577 -7.002 1.248 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.853 -9.518 2.338 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.819 -11.912 2.264 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.385 -8.425 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.216 -13.128 1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.972 -10.264 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.394 -12.583 0.429 1.00 0.00 H new ATOM 1359 N PHE A 84 3.491 -4.676 3.316 1.00 0.00 N ATOM 1360 CA PHE A 84 3.636 -3.222 3.312 1.00 0.00 C ATOM 1361 C PHE A 84 5.072 -2.845 2.946 1.00 0.00 C ATOM 1362 O PHE A 84 6.021 -3.367 3.528 1.00 0.00 O ATOM 1363 CB PHE A 84 3.257 -2.607 4.673 1.00 0.00 C ATOM 1364 CG PHE A 84 1.797 -2.744 5.037 1.00 0.00 C ATOM 1365 CD1 PHE A 84 1.120 -3.936 4.822 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.097 -1.678 5.595 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.214 -4.064 5.154 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.239 -1.804 5.927 1.00 0.00 C ATOM 1369 CZ PHE A 84 -0.894 -2.998 5.706 1.00 0.00 C ATOM 0 H PHE A 84 3.903 -5.142 4.124 1.00 0.00 H new ATOM 0 HA PHE A 84 2.951 -2.819 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.858 -3.078 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.519 -1.549 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.644 -4.775 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.604 -0.741 5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.726 -4.999 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.770 -0.968 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.938 -3.098 5.965 1.00 0.00 H new ATOM 1379 N TRP A 85 5.226 -1.936 1.985 1.00 0.00 N ATOM 1380 CA TRP A 85 6.552 -1.495 1.554 1.00 0.00 C ATOM 1381 C TRP A 85 6.825 -0.066 2.015 1.00 0.00 C ATOM 1382 O TRP A 85 6.037 0.837 1.735 1.00 0.00 O ATOM 1383 CB TRP A 85 6.673 -1.596 0.034 1.00 0.00 C ATOM 1384 CG TRP A 85 6.492 -2.992 -0.470 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.311 -3.613 -0.757 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.525 -3.949 -0.736 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.545 -4.895 -1.184 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.896 -5.126 -1.182 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.920 -3.923 -0.642 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.615 -6.267 -1.533 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.631 -5.056 -0.991 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.978 -6.213 -1.432 1.00 0.00 C ATOM 0 H TRP A 85 4.452 -1.492 1.491 1.00 0.00 H new ATOM 0 HA TRP A 85 7.296 -2.147 2.011 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.929 -0.948 -0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.652 -1.228 -0.273 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.335 -3.161 -0.662 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.829 -5.568 -1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.432 -3.035 -0.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.114 -7.162 -1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.709 -5.048 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.563 -7.081 -1.698 1.00 0.00 H new ATOM 1403 N LEU A 86 7.921 0.140 2.752 1.00 0.00 N ATOM 1404 CA LEU A 86 8.217 1.476 3.258 1.00 0.00 C ATOM 1405 C LEU A 86 8.941 2.345 2.223 1.00 0.00 C ATOM 1406 O LEU A 86 10.154 2.260 2.051 1.00 0.00 O ATOM 1407 CB LEU A 86 9.076 1.370 4.519 1.00 0.00 C ATOM 1408 CG LEU A 86 9.129 2.637 5.376 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.724 3.097 5.732 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.949 2.394 6.634 1.00 0.00 C ATOM 0 H LEU A 86 8.598 -0.580 3.004 1.00 0.00 H new ATOM 0 HA LEU A 86 7.265 1.955 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.696 0.552 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.092 1.105 4.227 1.00 0.00 H new ATOM 0 HG LEU A 86 9.612 3.426 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.780 3.999 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.169 3.310 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.215 2.312 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.977 3.305 7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.494 1.592 7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.965 2.111 6.357 1.00 0.00 H new ATOM 1422 N VAL A 87 8.162 3.181 1.547 1.00 0.00 N ATOM 1423 CA VAL A 87 8.663 4.090 0.511 1.00 0.00 C ATOM 1424 C VAL A 87 9.437 5.246 1.088 1.00 0.00 C ATOM 1425 O VAL A 87 9.148 5.714 2.190 1.00 0.00 O ATOM 1426 CB VAL A 87 7.534 4.657 -0.337 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.079 5.411 -1.540 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.601 3.535 -0.765 1.00 0.00 C ATOM 0 H VAL A 87 7.156 3.251 1.700 1.00 0.00 H new ATOM 0 HA VAL A 87 9.325 3.485 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 87 6.968 5.371 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.250 5.805 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.707 6.235 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.671 4.734 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.794 3.945 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.158 2.802 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.182 3.053 0.118 1.00 0.00 H new ATOM 1438 N GLU A 88 10.439 5.691 0.347 1.00 0.00 N ATOM 1439 CA GLU A 88 11.257 6.791 0.819 1.00 0.00 C ATOM 1440 C GLU A 88 11.125 8.085 -0.002 1.00 0.00 C ATOM 1441 O GLU A 88 11.246 9.174 0.561 1.00 0.00 O ATOM 1442 CB GLU A 88 12.724 6.364 0.889 1.00 0.00 C ATOM 1443 CG GLU A 88 13.645 7.430 1.461 1.00 0.00 C ATOM 1444 CD GLU A 88 15.043 6.907 1.732 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.523 6.061 0.949 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.657 7.344 2.729 1.00 0.00 O ATOM 0 H GLU A 88 10.700 5.316 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 88 10.879 7.031 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.802 5.464 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.065 6.101 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.703 8.267 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.219 7.814 2.388 1.00 0.00 H new ATOM 1453 N ARG A 89 10.912 7.996 -1.315 1.00 0.00 N ATOM 1454 CA ARG A 89 10.813 9.210 -2.130 1.00 0.00 C ATOM 1455 C ARG A 89 10.174 8.929 -3.490 1.00 0.00 C ATOM 1456 O ARG A 89 10.082 7.778 -3.913 1.00 0.00 O ATOM 1457 CB ARG A 89 12.219 9.827 -2.277 1.00 0.00 C ATOM 1458 CG ARG A 89 12.533 10.465 -3.629 1.00 0.00 C ATOM 1459 CD ARG A 89 12.207 11.952 -3.635 1.00 0.00 C ATOM 1460 NE ARG A 89 12.273 12.520 -4.979 1.00 0.00 N ATOM 1461 CZ ARG A 89 11.825 13.735 -5.293 1.00 0.00 C ATOM 1462 NH1 ARG A 89 11.273 14.506 -4.366 1.00 0.00 N ATOM 1463 NH2 ARG A 89 11.932 14.179 -6.538 1.00 0.00 N ATOM 0 H ARG A 89 10.807 7.121 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 89 10.159 9.924 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.345 10.584 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.957 9.049 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.588 10.322 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.962 9.963 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.209 12.106 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.904 12.479 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 89 12.686 11.954 -5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.190 14.170 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.932 15.435 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.357 13.591 -7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.589 15.109 -6.779 1.00 0.00 H new ATOM 1477 N TRP A 90 9.759 9.994 -4.181 1.00 0.00 N ATOM 1478 CA TRP A 90 9.161 9.859 -5.504 1.00 0.00 C ATOM 1479 C TRP A 90 9.473 11.067 -6.387 1.00 0.00 C ATOM 1480 O TRP A 90 9.271 12.212 -5.981 1.00 0.00 O ATOM 1481 CB TRP A 90 7.646 9.636 -5.403 1.00 0.00 C ATOM 1482 CG TRP A 90 6.848 10.884 -5.181 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.581 11.865 -6.094 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.198 11.274 -3.971 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.803 12.842 -5.519 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.554 12.500 -4.216 1.00 0.00 C ATOM 1487 CE3 TRP A 90 6.098 10.702 -2.702 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.820 13.163 -3.236 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.369 11.359 -1.732 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.737 12.577 -2.002 1.00 0.00 C ATOM 0 H TRP A 90 9.827 10.954 -3.844 1.00 0.00 H new ATOM 0 HA TRP A 90 9.605 8.982 -5.974 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.300 9.157 -6.319 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.447 8.943 -4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.930 11.872 -7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.466 13.684 -5.986 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.583 9.762 -2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.334 14.105 -3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.285 10.925 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.172 13.065 -1.221 1.00 0.00 H new ATOM 1501 N GLU A 91 9.971 10.803 -7.598 1.00 0.00 N ATOM 1502 CA GLU A 91 10.308 11.871 -8.532 1.00 0.00 C ATOM 1503 C GLU A 91 9.056 12.404 -9.219 1.00 0.00 C ATOM 1504 O GLU A 91 8.106 11.659 -9.464 1.00 0.00 O ATOM 1505 CB GLU A 91 11.302 11.366 -9.580 1.00 0.00 C ATOM 1506 CG GLU A 91 11.720 12.429 -10.583 1.00 0.00 C ATOM 1507 CD GLU A 91 10.813 12.477 -11.797 1.00 0.00 C ATOM 1508 OE1 GLU A 91 10.457 11.397 -12.314 1.00 0.00 O ATOM 1509 OE2 GLU A 91 10.458 13.593 -12.230 1.00 0.00 O ATOM 0 H GLU A 91 10.148 9.862 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 91 10.767 12.683 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.190 10.987 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.858 10.527 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.719 13.404 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.743 12.236 -10.906 1.00 0.00 H new ATOM 1516 N GLY A 92 9.059 13.697 -9.527 1.00 0.00 N ATOM 1517 CA GLY A 92 7.916 14.305 -10.181 1.00 0.00 C ATOM 1518 C GLY A 92 6.640 14.148 -9.378 1.00 0.00 C ATOM 1519 O GLY A 92 6.542 14.637 -8.253 1.00 0.00 O ATOM 0 H GLY A 92 9.832 14.334 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.114 15.365 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.781 13.854 -11.164 1.00 0.00 H new ATOM 1523 N GLU A 93 5.660 13.461 -9.956 1.00 0.00 N ATOM 1524 CA GLU A 93 4.386 13.239 -9.285 1.00 0.00 C ATOM 1525 C GLU A 93 3.958 11.776 -9.406 1.00 0.00 C ATOM 1526 O GLU A 93 4.138 11.159 -10.456 1.00 0.00 O ATOM 1527 CB GLU A 93 3.307 14.149 -9.876 1.00 0.00 C ATOM 1528 CG GLU A 93 3.744 15.599 -10.012 1.00 0.00 C ATOM 1529 CD GLU A 93 2.983 16.338 -11.094 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.833 16.752 -10.836 1.00 0.00 O ATOM 1531 OE2 GLU A 93 3.537 16.503 -12.202 1.00 0.00 O ATOM 0 H GLU A 93 5.724 13.049 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 93 4.512 13.478 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.021 13.770 -10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.419 14.103 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.600 16.109 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.810 15.634 -10.235 1.00 0.00 H new ATOM 1538 N PRO A 94 3.376 11.201 -8.337 1.00 0.00 N ATOM 1539 CA PRO A 94 2.917 9.811 -8.334 1.00 0.00 C ATOM 1540 C PRO A 94 1.617 9.655 -9.101 1.00 0.00 C ATOM 1541 O PRO A 94 0.660 10.391 -8.861 1.00 0.00 O ATOM 1542 CB PRO A 94 2.694 9.497 -6.844 1.00 0.00 C ATOM 1543 CG PRO A 94 3.182 10.697 -6.095 1.00 0.00 C ATOM 1544 CD PRO A 94 3.100 11.846 -7.052 1.00 0.00 C ATOM 0 HA PRO A 94 3.632 9.143 -8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.640 9.310 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.241 8.602 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.570 10.881 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.205 10.551 -5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.118 12.319 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.831 12.621 -6.821 1.00 0.00 H new ATOM 1552 N TRP A 95 1.575 8.706 -10.028 1.00 0.00 N ATOM 1553 CA TRP A 95 0.367 8.499 -10.808 1.00 0.00 C ATOM 1554 C TRP A 95 0.002 7.027 -10.938 1.00 0.00 C ATOM 1555 O TRP A 95 -1.053 6.597 -10.472 1.00 0.00 O ATOM 1556 CB TRP A 95 0.499 9.124 -12.204 1.00 0.00 C ATOM 1557 CG TRP A 95 1.747 8.743 -12.963 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.946 9.393 -12.941 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.912 7.640 -13.872 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.841 8.777 -13.789 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.228 7.703 -14.373 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.076 6.608 -14.313 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.722 6.781 -15.295 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.569 5.692 -15.224 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.879 5.787 -15.709 1.00 0.00 C ATOM 0 H TRP A 95 2.348 8.080 -10.253 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.437 8.995 -10.265 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.369 8.837 -12.797 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.471 10.209 -12.103 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.163 10.266 -12.344 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.803 9.074 -13.954 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.063 6.528 -13.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.733 6.849 -15.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.933 4.890 -15.567 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.231 5.060 -16.425 1.00 0.00 H new ATOM 1576 N GLY A 96 0.871 6.266 -11.587 1.00 0.00 N ATOM 1577 CA GLY A 96 0.625 4.848 -11.793 1.00 0.00 C ATOM 1578 C GLY A 96 -0.808 4.547 -12.194 1.00 0.00 C ATOM 1579 O GLY A 96 -1.164 4.627 -13.370 1.00 0.00 O ATOM 0 H GLY A 96 1.749 6.606 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.298 4.476 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.861 4.307 -10.877 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.629 4.200 -11.205 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.036 3.878 -11.431 1.00 0.00 C ATOM 1585 C LYS A 97 -3.634 3.207 -10.195 1.00 0.00 C ATOM 1586 O LYS A 97 -4.404 2.253 -10.303 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.192 2.964 -12.654 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.879 3.637 -13.832 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.455 2.615 -14.802 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.791 2.702 -16.167 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.334 3.826 -16.978 1.00 0.00 N ATOM 0 H LYS A 97 -1.339 4.134 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.573 4.807 -11.621 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.207 2.619 -12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.763 2.081 -12.367 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.677 4.284 -13.468 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.166 4.274 -14.355 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.323 1.612 -14.396 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.528 2.777 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.716 2.832 -16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.938 1.764 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.855 3.851 -17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.355 3.689 -17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.171 4.724 -16.479 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.273 3.714 -9.018 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.769 3.165 -7.762 1.00 0.00 C ATOM 1607 C GLU A 98 -5.295 3.175 -7.728 1.00 0.00 C ATOM 1608 O GLU A 98 -5.918 2.256 -7.197 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.204 3.958 -6.581 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.707 5.390 -6.514 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.355 6.073 -5.207 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -3.193 5.364 -4.191 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.240 7.317 -5.201 1.00 0.00 O ATOM 0 H GLU A 98 -2.638 4.505 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.436 2.130 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.463 3.447 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.116 3.967 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.284 5.959 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.789 5.397 -6.643 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.895 4.211 -8.310 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.344 4.299 -8.341 1.00 0.00 C ATOM 1622 C GLY A 99 -7.872 5.681 -8.005 1.00 0.00 C ATOM 1623 O GLY A 99 -8.754 6.195 -8.694 1.00 0.00 O ATOM 0 H GLY A 99 -5.406 4.986 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.697 4.015 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.759 3.578 -7.636 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.356 6.278 -6.935 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.811 7.598 -6.511 1.00 0.00 C ATOM 1629 C GLN A 100 -6.646 8.524 -6.179 1.00 0.00 C ATOM 1630 O GLN A 100 -5.932 8.319 -5.198 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.733 7.463 -5.297 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.210 7.463 -5.652 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.717 6.085 -6.033 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.251 5.887 -7.124 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.552 5.124 -5.132 1.00 0.00 N ATOM 0 H GLN A 100 -6.627 5.872 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.357 8.043 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.494 6.539 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.534 8.283 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.784 7.836 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.381 8.151 -6.480 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.104 5.333 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.873 4.177 -5.332 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.451 9.573 -6.995 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.384 10.556 -6.788 1.00 0.00 C ATOM 1646 C PRO A 101 -5.266 10.993 -5.328 1.00 0.00 C ATOM 1647 O PRO A 101 -6.270 11.111 -4.625 1.00 0.00 O ATOM 1648 CB PRO A 101 -5.847 11.721 -7.654 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.552 11.071 -8.788 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.268 9.896 -8.185 1.00 0.00 C ATOM 0 HA PRO A 101 -4.399 10.164 -7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.509 12.389 -7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.005 12.321 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.253 11.758 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.849 10.751 -9.557 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.293 10.146 -7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.318 9.056 -8.878 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.037 11.228 -4.877 1.00 0.00 N ATOM 1659 CA GLY A 102 -3.821 11.646 -3.502 1.00 0.00 C ATOM 1660 C GLY A 102 -2.850 12.807 -3.383 1.00 0.00 C ATOM 1661 O GLY A 102 -2.290 13.265 -4.379 1.00 0.00 O ATOM 0 H GLY A 102 -3.189 11.137 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.776 11.931 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.442 10.802 -2.926 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.646 13.278 -2.154 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.733 14.386 -1.894 1.00 0.00 C ATOM 1667 C GLU A 103 -0.827 14.066 -0.707 1.00 0.00 C ATOM 1668 O GLU A 103 -1.221 13.331 0.199 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.517 15.672 -1.622 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.932 16.410 -2.885 1.00 0.00 C ATOM 1671 CD GLU A 103 -4.264 17.116 -2.735 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -5.255 16.447 -2.377 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -4.316 18.341 -2.977 1.00 0.00 O ATOM 0 H GLU A 103 -3.103 12.907 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.113 14.533 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.408 15.429 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.909 16.335 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.165 17.140 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.991 15.703 -3.712 1.00 0.00 H new ATOM 1680 N TRP A 104 0.386 14.615 -0.715 1.00 0.00 N ATOM 1681 CA TRP A 104 1.342 14.366 0.369 1.00 0.00 C ATOM 1682 C TRP A 104 0.761 14.798 1.709 1.00 0.00 C ATOM 1683 O TRP A 104 0.655 15.990 1.998 1.00 0.00 O ATOM 1684 CB TRP A 104 2.679 15.099 0.129 1.00 0.00 C ATOM 1685 CG TRP A 104 2.606 16.209 -0.878 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.722 16.093 -2.232 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.407 17.602 -0.609 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.604 17.327 -2.824 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.411 18.270 -1.848 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.224 18.348 0.558 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.238 19.648 -1.951 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.053 19.716 0.455 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.061 20.354 -0.793 1.00 0.00 C ATOM 0 H TRP A 104 0.731 15.230 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 104 1.535 13.293 0.386 1.00 0.00 H new ATOM 0 HB2 TRP A 104 3.031 15.507 1.077 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.423 14.374 -0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.883 15.166 -2.762 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.652 17.511 -3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.216 17.864 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.243 20.142 -2.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.911 20.303 1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.925 21.424 -0.841 1.00 0.00 H new ATOM 1704 N MET A 105 0.393 13.816 2.527 1.00 0.00 N ATOM 1705 CA MET A 105 -0.171 14.094 3.844 1.00 0.00 C ATOM 1706 C MET A 105 0.663 13.476 4.956 1.00 0.00 C ATOM 1707 O MET A 105 1.276 12.424 4.781 1.00 0.00 O ATOM 1708 CB MET A 105 -1.624 13.621 3.935 1.00 0.00 C ATOM 1709 CG MET A 105 -1.864 12.246 3.336 1.00 0.00 C ATOM 1710 SD MET A 105 -3.163 12.245 2.085 1.00 0.00 S ATOM 1711 CE MET A 105 -4.577 11.745 3.062 1.00 0.00 C ATOM 0 H MET A 105 0.475 12.824 2.302 1.00 0.00 H new ATOM 0 HA MET A 105 -0.154 15.176 3.978 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.926 13.608 4.982 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.263 14.344 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.938 11.882 2.892 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.131 11.550 4.131 1.00 0.00 H new ATOM 0 HE1 MET A 105 -5.162 11.012 2.507 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.235 11.303 3.998 1.00 0.00 H new ATOM 0 HE3 MET A 105 -5.197 12.616 3.277 1.00 0.00 H new ATOM 1721 N SER A 106 0.681 14.149 6.104 1.00 0.00 N ATOM 1722 CA SER A 106 1.442 13.680 7.252 1.00 0.00 C ATOM 1723 C SER A 106 0.991 12.288 7.672 1.00 0.00 C ATOM 1724 O SER A 106 -0.142 12.093 8.114 1.00 0.00 O ATOM 1725 CB SER A 106 1.291 14.653 8.422 1.00 0.00 C ATOM 1726 OG SER A 106 2.506 14.784 9.138 1.00 0.00 O ATOM 0 H SER A 106 0.176 15.021 6.261 1.00 0.00 H new ATOM 0 HA SER A 106 2.492 13.629 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.978 15.628 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.507 14.301 9.092 1.00 0.00 H new ATOM 0 HG SER A 106 2.383 15.413 9.879 1.00 0.00 H new ATOM 1732 N LEU A 107 1.889 11.324 7.530 1.00 0.00 N ATOM 1733 CA LEU A 107 1.598 9.939 7.892 1.00 0.00 C ATOM 1734 C LEU A 107 1.601 9.743 9.407 1.00 0.00 C ATOM 1735 O LEU A 107 1.064 8.760 9.915 1.00 0.00 O ATOM 1736 CB LEU A 107 2.615 9.000 7.242 1.00 0.00 C ATOM 1737 CG LEU A 107 2.026 7.748 6.584 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.610 6.735 7.641 1.00 0.00 C ATOM 1739 CD2 LEU A 107 0.842 8.112 5.696 1.00 0.00 C ATOM 0 H LEU A 107 2.830 11.474 7.165 1.00 0.00 H new ATOM 0 HA LEU A 107 0.600 9.702 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.170 9.559 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.333 8.688 8.001 1.00 0.00 H new ATOM 0 HG LEU A 107 2.796 7.297 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.194 5.852 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.480 6.448 8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.858 7.178 8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.439 7.208 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.069 8.590 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.170 8.798 4.915 1.00 0.00 H new ATOM 1751 N VAL A 108 2.216 10.681 10.124 1.00 0.00 N ATOM 1752 CA VAL A 108 2.296 10.609 11.580 1.00 0.00 C ATOM 1753 C VAL A 108 0.919 10.434 12.223 1.00 0.00 C ATOM 1754 O VAL A 108 0.818 10.048 13.388 1.00 0.00 O ATOM 1755 CB VAL A 108 2.968 11.869 12.161 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.147 13.110 11.844 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.175 11.724 13.662 1.00 0.00 C ATOM 0 H VAL A 108 2.667 11.501 9.719 1.00 0.00 H new ATOM 0 HA VAL A 108 2.901 9.733 11.813 1.00 0.00 H new ATOM 0 HB VAL A 108 3.946 11.982 11.694 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.638 13.988 12.263 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.061 13.223 10.763 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.152 13.009 12.278 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.650 12.624 14.052 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.211 11.582 14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.812 10.862 13.860 1.00 0.00 H new ATOM 1767 N GLY A 109 -0.139 10.720 11.468 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.483 10.584 11.999 1.00 0.00 C ATOM 1769 C GLY A 109 -2.427 9.902 11.029 1.00 0.00 C ATOM 1770 O GLY A 109 -3.520 10.400 10.760 1.00 0.00 O ATOM 0 H GLY A 109 -0.089 11.042 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.447 10.013 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.873 11.571 12.247 1.00 0.00 H new ATOM 1774 N LEU A 110 -2.003 8.757 10.506 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.816 7.996 9.562 1.00 0.00 C ATOM 1776 C LEU A 110 -4.116 7.537 10.216 1.00 0.00 C ATOM 1777 O LEU A 110 -4.169 7.324 11.427 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.035 6.789 9.045 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.723 5.999 7.931 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.699 5.474 6.937 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.536 4.856 8.517 1.00 0.00 C ATOM 0 H LEU A 110 -1.100 8.334 10.720 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.062 8.645 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.066 7.132 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.842 6.116 9.880 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.401 6.668 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.208 4.915 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.159 6.311 6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.995 4.819 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.020 4.303 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.877 4.188 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.295 5.257 9.189 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.168 7.399 9.412 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.469 6.981 9.926 1.00 0.00 C ATOM 1795 C ASN A 111 -6.884 5.613 9.396 1.00 0.00 C ATOM 1796 O ASN A 111 -7.301 5.480 8.246 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.533 8.024 9.572 1.00 0.00 C ATOM 1798 CG ASN A 111 -8.127 8.683 10.801 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.259 8.058 11.853 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -8.491 9.954 10.674 1.00 0.00 N ATOM 0 H ASN A 111 -5.145 7.570 8.407 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.381 6.899 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -7.091 8.787 8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.328 7.548 8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.898 10.450 11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.364 10.434 9.783 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.786 4.600 10.255 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.173 3.245 9.886 1.00 0.00 C ATOM 1809 C ALA A 112 -8.696 3.129 9.785 1.00 0.00 C ATOM 1810 O ALA A 112 -9.221 2.167 9.228 1.00 0.00 O ATOM 1811 CB ALA A 112 -6.638 2.239 10.892 1.00 0.00 C ATOM 0 H ALA A 112 -6.442 4.695 11.210 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.740 3.024 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.939 1.234 10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.550 2.298 10.922 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.041 2.463 11.880 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.399 4.114 10.340 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.857 4.121 10.315 1.00 0.00 C ATOM 1819 C ASP A 113 -11.371 4.579 8.953 1.00 0.00 C ATOM 1820 O ASP A 113 -12.269 3.964 8.378 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.432 5.026 11.420 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.386 5.876 12.122 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.408 5.300 12.645 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.546 7.114 12.149 1.00 0.00 O ATOM 0 H ASP A 113 -8.982 4.916 10.812 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.192 3.100 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.186 5.681 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.938 4.405 12.159 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.798 5.666 8.446 1.00 0.00 N ATOM 1830 CA ASP A 114 -11.201 6.213 7.156 1.00 0.00 C ATOM 1831 C ASP A 114 -10.742 5.321 6.007 1.00 0.00 C ATOM 1832 O ASP A 114 -11.418 5.217 4.987 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.644 7.624 6.978 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.734 8.657 6.767 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -12.211 8.791 5.620 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -12.111 9.332 7.748 1.00 0.00 O ATOM 0 H ASP A 114 -10.053 6.186 8.910 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.290 6.255 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -10.058 7.893 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.965 7.638 6.126 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.588 4.682 6.171 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.055 3.811 5.130 1.00 0.00 C ATOM 1843 C PHE A 115 -9.749 2.445 5.159 1.00 0.00 C ATOM 1844 O PHE A 115 -10.447 2.119 6.120 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.521 3.713 5.264 1.00 0.00 C ATOM 1846 CG PHE A 115 -6.977 2.506 5.982 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.665 1.919 7.026 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.745 1.982 5.619 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.138 0.831 7.696 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.217 0.894 6.279 1.00 0.00 C ATOM 1851 CZ PHE A 115 -5.912 0.320 7.320 1.00 0.00 C ATOM 0 H PHE A 115 -9.008 4.750 7.008 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.265 4.239 4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.091 3.735 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.168 4.604 5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.625 2.315 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.192 2.433 4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.684 0.382 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.260 0.492 5.981 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.498 -0.530 7.842 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.593 1.635 4.096 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.235 0.320 4.006 1.00 0.00 C ATOM 1863 C PRO A 116 -9.922 -0.569 5.208 1.00 0.00 C ATOM 1864 O PRO A 116 -8.787 -0.613 5.681 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.656 -0.290 2.719 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.498 0.577 2.352 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.812 1.941 2.893 1.00 0.00 C ATOM 0 HA PRO A 116 -11.321 0.407 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.339 -1.320 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.401 -0.307 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.572 0.192 2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.362 0.608 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.908 2.502 3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.381 2.538 2.181 1.00 0.00 H new ATOM 1875 N PRO A 117 -10.937 -1.291 5.722 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.772 -2.180 6.878 1.00 0.00 C ATOM 1877 C PRO A 117 -9.924 -3.410 6.562 1.00 0.00 C ATOM 1878 O PRO A 117 -9.467 -4.107 7.468 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.206 -2.598 7.214 1.00 0.00 C ATOM 1880 CG PRO A 117 -12.950 -2.460 5.933 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.325 -1.296 5.219 1.00 0.00 C ATOM 0 HA PRO A 117 -10.251 -1.681 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.243 -3.622 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.632 -1.962 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -12.875 -3.370 5.337 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.010 -2.284 6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.360 -1.423 4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.838 -0.362 5.447 1.00 0.00 H new ATOM 1889 N ALA A 118 -9.720 -3.675 5.276 1.00 0.00 N ATOM 1890 CA ALA A 118 -8.932 -4.826 4.850 1.00 0.00 C ATOM 1891 C ALA A 118 -7.490 -4.719 5.323 1.00 0.00 C ATOM 1892 O ALA A 118 -6.830 -5.728 5.568 1.00 0.00 O ATOM 1893 CB ALA A 118 -8.984 -4.971 3.337 1.00 0.00 C ATOM 0 H ALA A 118 -10.089 -3.109 4.512 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.367 -5.715 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.391 -5.834 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.018 -5.111 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -8.580 -4.072 2.871 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.004 -3.494 5.436 1.00 0.00 N ATOM 1900 CA ASN A 119 -5.635 -3.251 5.863 1.00 0.00 C ATOM 1901 C ASN A 119 -5.574 -2.782 7.320 1.00 0.00 C ATOM 1902 O ASN A 119 -4.492 -2.665 7.895 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.008 -2.209 4.945 1.00 0.00 C ATOM 1904 CG ASN A 119 -3.828 -2.751 4.166 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.829 -3.906 3.741 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -2.815 -1.916 3.969 1.00 0.00 N ATOM 0 H ASN A 119 -7.539 -2.649 5.237 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.078 -4.186 5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.762 -1.844 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.684 -1.355 5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.995 -2.224 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.857 -0.967 4.340 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.738 -2.509 7.907 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.819 -2.046 9.292 1.00 0.00 C ATOM 1915 C GLU A 120 -6.064 -2.958 10.262 1.00 0.00 C ATOM 1916 O GLU A 120 -5.486 -2.475 11.229 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.278 -1.931 9.729 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.522 -0.833 10.752 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.995 -0.529 10.942 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.794 -0.881 10.048 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -10.350 0.062 11.983 1.00 0.00 O ATOM 0 H GLU A 120 -7.642 -2.601 7.443 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.343 -1.066 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.898 -1.743 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.599 -2.885 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.090 -1.130 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.006 0.074 10.436 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.070 -4.286 10.053 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.392 -5.221 10.957 1.00 0.00 C ATOM 1930 C PRO A 121 -3.998 -4.774 11.384 1.00 0.00 C ATOM 1931 O PRO A 121 -3.682 -4.763 12.573 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.274 -6.471 10.102 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.506 -6.451 9.267 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.758 -5.000 8.953 1.00 0.00 C ATOM 0 HA PRO A 121 -5.942 -5.333 11.891 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.374 -6.451 9.487 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.221 -7.371 10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.371 -7.032 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.349 -6.889 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.353 -4.723 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.824 -4.773 8.931 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.163 -4.412 10.417 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.804 -3.975 10.717 1.00 0.00 C ATOM 1944 C VAL A 122 -1.783 -2.527 11.191 1.00 0.00 C ATOM 1945 O VAL A 122 -1.252 -2.219 12.258 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.860 -4.115 9.494 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.262 -5.100 9.786 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.615 -4.519 8.232 1.00 0.00 C ATOM 0 H VAL A 122 -3.400 -4.412 9.425 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.444 -4.628 11.512 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.423 -3.133 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.911 -5.181 8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.843 -4.748 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.162 -6.078 10.015 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.915 -4.605 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.107 -5.478 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.364 -3.762 7.998 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.365 -1.642 10.386 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.417 -0.224 10.709 1.00 0.00 C ATOM 1960 C ILE A 123 -3.094 0.000 12.053 1.00 0.00 C ATOM 1961 O ILE A 123 -2.797 0.953 12.752 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.152 0.580 9.614 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.316 0.608 8.330 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.443 1.997 10.087 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.571 1.911 8.118 1.00 0.00 C ATOM 0 H ILE A 123 -2.809 -1.887 9.501 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.388 0.132 10.764 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.103 0.089 9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.597 -0.211 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.970 0.431 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.961 2.544 9.299 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.071 1.962 10.977 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.506 2.501 10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.001 1.858 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.285 2.733 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.890 2.081 8.952 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.989 -0.904 12.409 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.687 -0.812 13.684 1.00 0.00 C ATOM 1979 C ALA A 124 -3.668 -0.726 14.814 1.00 0.00 C ATOM 1980 O ALA A 124 -3.755 0.138 15.687 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.607 -2.008 13.883 1.00 0.00 C ATOM 0 H ALA A 124 -4.251 -1.708 11.838 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.303 0.087 13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.118 -1.918 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.344 -2.038 13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.019 -2.926 13.870 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.725 -1.661 14.798 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.701 -1.736 15.832 1.00 0.00 C ATOM 1989 C LYS A 125 -0.967 -0.410 15.979 1.00 0.00 C ATOM 1990 O LYS A 125 -0.816 0.101 17.089 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.704 -2.850 15.512 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.115 -4.209 16.051 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.119 -5.289 15.657 1.00 0.00 C ATOM 1994 CE LYS A 125 1.239 -5.054 16.300 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.051 -4.062 15.541 1.00 0.00 N ATOM 0 H LYS A 125 -2.649 -2.379 14.078 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.197 -1.958 16.777 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.584 -2.919 14.431 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.269 -2.584 15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.192 -4.163 17.137 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.103 -4.468 15.672 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.501 -6.265 15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.011 -5.308 14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.100 -4.703 17.322 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.781 -5.998 16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.989 -4.463 15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.572 -3.832 14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.160 -3.197 16.107 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.510 0.145 14.867 1.00 0.00 N ATOM 2010 CA LEU A 126 0.212 1.417 14.897 1.00 0.00 C ATOM 2011 C LEU A 126 -0.750 2.588 15.068 1.00 0.00 C ATOM 2012 O LEU A 126 -0.548 3.456 15.914 1.00 0.00 O ATOM 2013 CB LEU A 126 1.023 1.596 13.611 1.00 0.00 C ATOM 2014 CG LEU A 126 2.273 2.466 13.751 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.487 1.608 14.065 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.502 3.275 12.482 1.00 0.00 C ATOM 0 H LEU A 126 -0.623 -0.258 13.937 1.00 0.00 H new ATOM 0 HA LEU A 126 0.890 1.400 15.750 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.322 0.613 13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.377 2.034 12.850 1.00 0.00 H new ATOM 0 HG LEU A 126 2.121 3.159 14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.367 2.244 14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.322 1.073 15.000 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.644 0.891 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.395 3.889 12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.634 2.598 11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.641 3.918 12.300 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.785 2.608 14.238 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.789 3.670 14.260 1.00 0.00 C ATOM 2030 C LYS A 127 -3.327 3.889 15.660 1.00 0.00 C ATOM 2031 O LYS A 127 -3.539 5.023 16.089 1.00 0.00 O ATOM 2032 CB LYS A 127 -3.946 3.316 13.337 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.154 4.234 13.482 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.452 3.447 13.593 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.114 3.646 14.948 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.595 3.524 14.866 1.00 0.00 N ATOM 0 H LYS A 127 -1.954 1.892 13.532 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.307 4.587 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.598 3.350 12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.256 2.290 13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.031 4.859 14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.207 4.903 12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.136 3.759 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.250 2.387 13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.728 2.909 15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.852 4.629 15.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.019 3.831 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.950 4.123 14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.852 2.533 14.682 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.530 2.796 16.375 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.025 2.872 17.736 1.00 0.00 C ATOM 2052 C ARG A 128 -3.005 3.592 18.614 1.00 0.00 C ATOM 2053 O ARG A 128 -3.286 3.938 19.761 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.302 1.468 18.274 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.956 1.452 19.647 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.382 0.355 20.529 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.689 0.896 21.696 1.00 0.00 N ATOM 2058 CZ ARG A 128 -3.438 0.196 22.801 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -3.817 -1.072 22.893 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -2.804 0.766 23.816 1.00 0.00 N ATOM 0 H ARG A 128 -3.360 1.849 16.036 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.959 3.434 17.749 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.945 0.940 17.570 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.363 0.917 18.323 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.814 2.419 20.129 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.031 1.306 19.537 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.186 -0.303 20.858 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.690 -0.253 19.947 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.379 1.867 21.662 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.304 -1.517 22.115 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.622 -1.602 23.742 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.509 1.740 23.751 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.611 0.230 24.663 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.816 3.825 18.051 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.744 4.517 18.766 1.00 0.00 C ATOM 2076 C LEU A 129 -0.585 3.977 20.187 1.00 0.00 C ATOM 2077 O LEU A 129 -1.135 2.930 20.528 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.023 6.024 18.803 1.00 0.00 C ATOM 2079 CG LEU A 129 -0.362 6.839 17.684 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -0.551 6.156 16.337 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.928 8.251 17.651 1.00 0.00 C ATOM 0 H LEU A 129 -1.573 3.544 17.101 1.00 0.00 H new ATOM 0 HA LEU A 129 0.189 4.337 18.231 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.101 6.179 18.755 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.687 6.416 19.763 1.00 0.00 H new ATOM 0 HG LEU A 129 0.707 6.899 17.888 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.075 6.751 15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.098 5.165 16.365 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.616 6.063 16.123 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.449 8.816 16.852 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.002 8.208 17.472 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.739 8.741 18.606 1.00 0.00 H new