USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 751 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 38 THR OG1 : rot 151:sc= 0.948 USER MOD Set 1.2: A 41 ASN :FLIP amide:sc= 0.629 F(o=-2.2,f=1.6) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 ASN :FLIP amide:sc= -0.307 F(o=-2.2,f=-0.31) USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.13 USER MOD Single : A 5 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.61) USER MOD Single : A 14 ASN : amide:sc= -0.155! X(o=-0.15!,f=-0.26) USER MOD Single : A 16 HIS : no HD1:sc= 0.412 K(o=0.41,f=-2.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.23) USER MOD Single : A 36 SER OG : rot 14:sc= 1.07 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.12) USER MOD Single : A 52 THR OG1 : rot -175:sc= -2.26! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= -1.72! (180deg=-3.44!) USER MOD Single : A 56 HIS : no HD1:sc= 1.02 K(o=1,f=-5.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc=-0.00835 (180deg=-0.138) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 157:sc= -2.35 (180deg=-4.72!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.767) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -4.882 15.861 0.979 1.00 0.00 N ATOM 26 CA THR A 3 -4.561 14.523 1.431 1.00 0.00 C ATOM 27 C THR A 3 -5.848 13.731 1.621 1.00 0.00 C ATOM 28 O THR A 3 -6.654 14.037 2.504 1.00 0.00 O ATOM 29 CB THR A 3 -3.771 14.547 2.750 1.00 0.00 C ATOM 30 OG1 THR A 3 -2.613 15.381 2.607 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.346 13.142 3.149 1.00 0.00 C ATOM 0 HA THR A 3 -3.936 14.049 0.674 1.00 0.00 H new ATOM 0 HB THR A 3 -4.415 14.949 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.800 16.091 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.789 13.182 4.085 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.230 12.518 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.714 12.717 2.369 1.00 0.00 H new ATOM 39 N ARG A 4 -6.052 12.734 0.777 1.00 0.00 N ATOM 40 CA ARG A 4 -7.289 11.970 0.817 1.00 0.00 C ATOM 41 C ARG A 4 -7.199 10.826 1.804 1.00 0.00 C ATOM 42 O ARG A 4 -6.284 10.001 1.746 1.00 0.00 O ATOM 43 CB ARG A 4 -7.552 11.394 -0.569 1.00 0.00 C ATOM 44 CG ARG A 4 -7.430 12.413 -1.691 1.00 0.00 C ATOM 45 CD ARG A 4 -7.125 11.747 -3.022 1.00 0.00 C ATOM 46 NE ARG A 4 -8.143 10.776 -3.410 1.00 0.00 N ATOM 47 CZ ARG A 4 -8.042 9.995 -4.480 1.00 0.00 C ATOM 48 NH1 ARG A 4 -6.959 10.057 -5.242 1.00 0.00 N ATOM 49 NH2 ARG A 4 -9.008 9.148 -4.788 1.00 0.00 N ATOM 0 H ARG A 4 -5.387 12.436 0.064 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.095 12.635 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.851 10.580 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.553 10.963 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.358 12.979 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.641 13.126 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.043 12.510 -3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.157 11.249 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.977 10.692 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.206 10.703 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.879 9.458 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.841 9.089 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.921 8.553 -5.612 1.00 0.00 H new ATOM 63 N ASN A 5 -8.139 10.808 2.739 1.00 0.00 N ATOM 64 CA ASN A 5 -8.270 9.719 3.685 1.00 0.00 C ATOM 65 C ASN A 5 -8.937 8.511 3.044 1.00 0.00 C ATOM 66 O ASN A 5 -9.937 8.628 2.331 1.00 0.00 O ATOM 67 CB ASN A 5 -9.120 10.162 4.884 1.00 0.00 C ATOM 68 CG ASN A 5 -8.940 11.625 5.235 1.00 0.00 C ATOM 69 OD1 ASN A 5 -9.647 12.493 4.714 1.00 0.00 O ATOM 70 ND2 ASN A 5 -8.016 11.910 6.130 1.00 0.00 N ATOM 0 H ASN A 5 -8.829 11.549 2.859 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.267 9.445 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.171 9.974 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.861 9.553 5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.864 12.877 6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.453 11.163 6.537 1.00 0.00 H new ATOM 77 N PHE A 6 -8.369 7.359 3.314 1.00 0.00 N ATOM 78 CA PHE A 6 -8.929 6.087 2.917 1.00 0.00 C ATOM 79 C PHE A 6 -9.174 5.281 4.174 1.00 0.00 C ATOM 80 O PHE A 6 -8.594 5.576 5.221 1.00 0.00 O ATOM 81 CB PHE A 6 -7.960 5.325 2.005 1.00 0.00 C ATOM 82 CG PHE A 6 -7.777 5.935 0.645 1.00 0.00 C ATOM 83 CD1 PHE A 6 -7.223 7.198 0.501 1.00 0.00 C ATOM 84 CD2 PHE A 6 -8.153 5.240 -0.490 1.00 0.00 C ATOM 85 CE1 PHE A 6 -7.051 7.757 -0.748 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.983 5.794 -1.741 1.00 0.00 C ATOM 87 CZ PHE A 6 -7.434 7.056 -1.870 1.00 0.00 C ATOM 0 H PHE A 6 -7.490 7.277 3.824 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.855 6.249 2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.989 5.265 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.320 4.303 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.922 7.751 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.584 4.254 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.617 8.741 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.279 5.242 -2.621 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.305 7.492 -2.850 1.00 0.00 H new ATOM 97 N VAL A 7 -10.013 4.276 4.101 1.00 0.00 N ATOM 98 CA VAL A 7 -10.200 3.395 5.224 1.00 0.00 C ATOM 99 C VAL A 7 -9.792 2.013 4.798 1.00 0.00 C ATOM 100 O VAL A 7 -10.074 1.593 3.672 1.00 0.00 O ATOM 101 CB VAL A 7 -11.656 3.327 5.718 1.00 0.00 C ATOM 102 CG1 VAL A 7 -11.715 2.731 7.114 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.321 4.686 5.687 1.00 0.00 C ATOM 0 H VAL A 7 -10.574 4.050 3.279 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.598 3.784 6.045 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.208 2.679 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.752 2.690 7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.299 1.724 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.137 3.351 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.347 4.597 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.772 5.374 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.323 5.067 4.666 1.00 0.00 H new ATOM 113 N LEU A 8 -9.103 1.332 5.667 1.00 0.00 N ATOM 114 CA LEU A 8 -8.735 -0.034 5.412 1.00 0.00 C ATOM 115 C LEU A 8 -9.929 -0.921 5.696 1.00 0.00 C ATOM 116 O LEU A 8 -10.581 -0.774 6.726 1.00 0.00 O ATOM 117 CB LEU A 8 -7.567 -0.432 6.297 1.00 0.00 C ATOM 118 CG LEU A 8 -6.769 -1.642 5.830 1.00 0.00 C ATOM 119 CD1 LEU A 8 -5.889 -1.277 4.645 1.00 0.00 C ATOM 120 CD2 LEU A 8 -5.935 -2.165 6.974 1.00 0.00 C ATOM 0 H LEU A 8 -8.783 1.700 6.563 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.433 -0.146 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.890 0.418 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.946 -0.634 7.299 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.458 -2.422 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.327 -2.154 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.513 -0.927 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.196 -0.488 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.363 -3.031 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.251 -1.386 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.588 -2.456 7.797 1.00 0.00 H new ATOM 132 N ARG A 9 -10.197 -1.850 4.807 1.00 0.00 N ATOM 133 CA ARG A 9 -11.309 -2.766 4.987 1.00 0.00 C ATOM 134 C ARG A 9 -10.859 -4.172 4.628 1.00 0.00 C ATOM 135 O ARG A 9 -10.395 -4.419 3.521 1.00 0.00 O ATOM 136 CB ARG A 9 -12.525 -2.352 4.150 1.00 0.00 C ATOM 137 CG ARG A 9 -12.233 -2.159 2.671 1.00 0.00 C ATOM 138 CD ARG A 9 -13.228 -2.916 1.805 1.00 0.00 C ATOM 139 NE ARG A 9 -13.033 -4.366 1.880 1.00 0.00 N ATOM 140 CZ ARG A 9 -13.306 -5.206 0.882 1.00 0.00 C ATOM 141 NH1 ARG A 9 -13.841 -4.755 -0.244 1.00 0.00 N ATOM 142 NH2 ARG A 9 -13.054 -6.500 1.016 1.00 0.00 N ATOM 0 H ARG A 9 -9.662 -1.994 3.950 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.619 -2.738 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.301 -3.110 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.929 -1.423 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.270 -1.097 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.222 -2.502 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.242 -2.670 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.128 -2.590 0.770 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.666 -4.756 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.045 -3.761 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.048 -5.402 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.651 -6.854 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.263 -7.142 0.252 1.00 0.00 H new ATOM 156 N ASP A 10 -10.965 -5.076 5.584 1.00 0.00 N ATOM 157 CA ASP A 10 -10.490 -6.444 5.412 1.00 0.00 C ATOM 158 C ASP A 10 -11.276 -7.199 4.345 1.00 0.00 C ATOM 159 O ASP A 10 -12.221 -6.672 3.749 1.00 0.00 O ATOM 160 CB ASP A 10 -10.602 -7.186 6.743 1.00 0.00 C ATOM 161 CG ASP A 10 -9.512 -8.211 6.969 1.00 0.00 C ATOM 162 OD1 ASP A 10 -9.501 -9.250 6.283 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.679 -7.992 7.872 1.00 0.00 O ATOM 0 H ASP A 10 -11.379 -4.889 6.497 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.452 -6.396 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.578 -6.460 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.570 -7.684 6.789 1.00 0.00 H new ATOM 168 N GLU A 11 -10.881 -8.435 4.129 1.00 0.00 N ATOM 169 CA GLU A 11 -11.534 -9.318 3.163 1.00 0.00 C ATOM 170 C GLU A 11 -13.003 -9.536 3.522 1.00 0.00 C ATOM 171 O GLU A 11 -13.855 -9.684 2.647 1.00 0.00 O ATOM 172 CB GLU A 11 -10.797 -10.653 3.101 1.00 0.00 C ATOM 173 CG GLU A 11 -9.374 -10.527 2.583 1.00 0.00 C ATOM 174 CD GLU A 11 -9.323 -10.128 1.121 1.00 0.00 C ATOM 175 OE1 GLU A 11 -9.372 -8.917 0.823 1.00 0.00 O ATOM 176 OE2 GLU A 11 -9.243 -11.034 0.261 1.00 0.00 O ATOM 0 H GLU A 11 -10.095 -8.866 4.616 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.497 -8.843 2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.777 -11.096 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.351 -11.337 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.838 -9.787 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.857 -11.477 2.716 1.00 0.00 H new ATOM 183 N ASP A 12 -13.288 -9.529 4.815 1.00 0.00 N ATOM 184 CA ASP A 12 -14.659 -9.636 5.299 1.00 0.00 C ATOM 185 C ASP A 12 -15.308 -8.259 5.274 1.00 0.00 C ATOM 186 O ASP A 12 -16.482 -8.103 4.935 1.00 0.00 O ATOM 187 CB ASP A 12 -14.680 -10.202 6.725 1.00 0.00 C ATOM 188 CG ASP A 12 -13.510 -9.720 7.563 1.00 0.00 C ATOM 189 OD1 ASP A 12 -13.325 -8.493 7.695 1.00 0.00 O ATOM 190 OD2 ASP A 12 -12.754 -10.572 8.076 1.00 0.00 O ATOM 0 H ASP A 12 -12.587 -9.450 5.552 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.216 -10.314 4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.612 -9.916 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.665 -11.291 6.680 1.00 0.00 H new ATOM 195 N GLY A 13 -14.508 -7.276 5.637 1.00 0.00 N ATOM 196 CA GLY A 13 -14.905 -5.893 5.521 1.00 0.00 C ATOM 197 C GLY A 13 -14.823 -5.171 6.845 1.00 0.00 C ATOM 198 O GLY A 13 -15.469 -4.143 7.044 1.00 0.00 O ATOM 0 H GLY A 13 -13.572 -7.415 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.266 -5.392 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.925 -5.839 5.140 1.00 0.00 H new ATOM 202 N ASN A 14 -14.032 -5.717 7.757 1.00 0.00 N ATOM 203 CA ASN A 14 -13.744 -5.037 9.009 1.00 0.00 C ATOM 204 C ASN A 14 -12.704 -3.957 8.773 1.00 0.00 C ATOM 205 O ASN A 14 -11.658 -4.207 8.168 1.00 0.00 O ATOM 206 CB ASN A 14 -13.252 -6.011 10.081 1.00 0.00 C ATOM 207 CG ASN A 14 -14.360 -6.902 10.615 1.00 0.00 C ATOM 208 OD1 ASN A 14 -15.032 -6.561 11.587 1.00 0.00 O ATOM 209 ND2 ASN A 14 -14.561 -8.046 9.983 1.00 0.00 N ATOM 0 H ASN A 14 -13.580 -6.626 7.653 1.00 0.00 H new ATOM 0 HA ASN A 14 -14.669 -4.588 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.460 -6.633 9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.815 -5.447 10.905 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.295 -8.681 10.298 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.983 -8.294 9.180 1.00 0.00 H new ATOM 216 N GLU A 15 -13.004 -2.761 9.235 1.00 0.00 N ATOM 217 CA GLU A 15 -12.156 -1.607 9.004 1.00 0.00 C ATOM 218 C GLU A 15 -11.002 -1.566 9.998 1.00 0.00 C ATOM 219 O GLU A 15 -11.222 -1.517 11.207 1.00 0.00 O ATOM 220 CB GLU A 15 -12.995 -0.340 9.124 1.00 0.00 C ATOM 221 CG GLU A 15 -14.108 -0.253 8.092 1.00 0.00 C ATOM 222 CD GLU A 15 -15.047 0.911 8.334 1.00 0.00 C ATOM 223 OE1 GLU A 15 -14.647 2.070 8.094 1.00 0.00 O ATOM 224 OE2 GLU A 15 -16.195 0.669 8.765 1.00 0.00 O ATOM 0 H GLU A 15 -13.842 -2.560 9.781 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.731 -1.677 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.431 -0.295 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.345 0.529 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.669 -0.159 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.679 -1.182 8.101 1.00 0.00 H new ATOM 231 N HIS A 16 -9.773 -1.576 9.490 1.00 0.00 N ATOM 232 CA HIS A 16 -8.607 -1.534 10.362 1.00 0.00 C ATOM 233 C HIS A 16 -7.824 -0.257 10.176 1.00 0.00 C ATOM 234 O HIS A 16 -7.015 -0.132 9.265 1.00 0.00 O ATOM 235 CB HIS A 16 -7.642 -2.659 10.123 1.00 0.00 C ATOM 236 CG HIS A 16 -8.196 -4.035 10.192 1.00 0.00 C ATOM 237 ND1 HIS A 16 -8.151 -4.829 11.312 1.00 0.00 N ATOM 238 CD2 HIS A 16 -8.734 -4.777 9.228 1.00 0.00 C ATOM 239 CE1 HIS A 16 -8.643 -6.018 11.020 1.00 0.00 C ATOM 240 NE2 HIS A 16 -9.009 -6.019 9.751 1.00 0.00 N ATOM 0 H HIS A 16 -9.561 -1.612 8.493 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.019 -1.611 11.368 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.194 -2.521 9.139 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.837 -2.579 10.854 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.922 -4.460 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.731 -6.850 11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.423 -6.803 9.247 1.00 0.00 H new ATOM 249 N GLY A 17 -8.048 0.655 11.066 1.00 0.00 N ATOM 250 CA GLY A 17 -7.341 1.921 11.050 1.00 0.00 C ATOM 251 C GLY A 17 -7.788 2.842 9.928 1.00 0.00 C ATOM 252 O GLY A 17 -8.622 2.474 9.098 1.00 0.00 O ATOM 0 H GLY A 17 -8.721 0.557 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.489 2.424 12.005 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.272 1.732 10.952 1.00 0.00 H new ATOM 256 N VAL A 18 -7.237 4.045 9.914 1.00 0.00 N ATOM 257 CA VAL A 18 -7.497 5.005 8.853 1.00 0.00 C ATOM 258 C VAL A 18 -6.178 5.373 8.193 1.00 0.00 C ATOM 259 O VAL A 18 -5.167 5.560 8.875 1.00 0.00 O ATOM 260 CB VAL A 18 -8.189 6.279 9.385 1.00 0.00 C ATOM 261 CG1 VAL A 18 -8.515 7.239 8.250 1.00 0.00 C ATOM 262 CG2 VAL A 18 -9.446 5.921 10.162 1.00 0.00 C ATOM 0 H VAL A 18 -6.599 4.383 10.635 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.172 4.546 8.131 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.497 6.781 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.002 8.127 8.653 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.595 7.528 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.183 6.750 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.919 6.832 10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.139 5.390 9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.183 5.284 11.006 1.00 0.00 H new ATOM 272 N PHE A 19 -6.182 5.477 6.878 1.00 0.00 N ATOM 273 CA PHE A 19 -4.956 5.665 6.122 1.00 0.00 C ATOM 274 C PHE A 19 -5.098 6.883 5.219 1.00 0.00 C ATOM 275 O PHE A 19 -6.198 7.197 4.777 1.00 0.00 O ATOM 276 CB PHE A 19 -4.664 4.400 5.309 1.00 0.00 C ATOM 277 CG PHE A 19 -4.357 3.197 6.163 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.367 2.501 6.820 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.053 2.766 6.317 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.076 1.407 7.609 1.00 0.00 C ATOM 281 CE2 PHE A 19 -2.761 1.671 7.103 1.00 0.00 C ATOM 282 CZ PHE A 19 -3.771 0.992 7.750 1.00 0.00 C ATOM 0 H PHE A 19 -7.026 5.434 6.307 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.119 5.839 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.523 4.177 4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.820 4.590 4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.393 2.821 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.254 3.292 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.870 0.878 8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.737 1.344 7.212 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.539 0.136 8.366 1.00 0.00 H new ATOM 292 N THR A 20 -4.004 7.587 4.958 1.00 0.00 N ATOM 293 CA THR A 20 -4.073 8.816 4.180 1.00 0.00 C ATOM 294 C THR A 20 -3.016 8.850 3.089 1.00 0.00 C ATOM 295 O THR A 20 -1.901 8.360 3.277 1.00 0.00 O ATOM 296 CB THR A 20 -3.904 10.053 5.080 1.00 0.00 C ATOM 297 OG1 THR A 20 -2.732 9.923 5.899 1.00 0.00 O ATOM 298 CG2 THR A 20 -5.122 10.231 5.962 1.00 0.00 C ATOM 0 H THR A 20 -3.067 7.331 5.270 1.00 0.00 H new ATOM 0 HA THR A 20 -5.059 8.837 3.716 1.00 0.00 H new ATOM 0 HB THR A 20 -3.794 10.928 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.638 10.718 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.989 11.110 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.006 10.363 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.249 9.349 6.590 1.00 0.00 H new ATOM 306 N GLY A 21 -3.373 9.431 1.953 1.00 0.00 N ATOM 307 CA GLY A 21 -2.432 9.540 0.863 1.00 0.00 C ATOM 308 C GLY A 21 -2.888 10.496 -0.216 1.00 0.00 C ATOM 309 O GLY A 21 -4.071 10.825 -0.305 1.00 0.00 O ATOM 0 H GLY A 21 -4.295 9.827 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.470 9.872 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.275 8.554 0.425 1.00 0.00 H new ATOM 313 N LYS A 22 -1.935 10.958 -1.019 1.00 0.00 N ATOM 314 CA LYS A 22 -2.227 11.747 -2.210 1.00 0.00 C ATOM 315 C LYS A 22 -3.196 10.985 -3.107 1.00 0.00 C ATOM 316 O LYS A 22 -4.115 11.557 -3.695 1.00 0.00 O ATOM 317 CB LYS A 22 -0.919 12.019 -2.960 1.00 0.00 C ATOM 318 CG LYS A 22 -1.078 12.794 -4.245 1.00 0.00 C ATOM 319 CD LYS A 22 -1.406 14.246 -3.983 1.00 0.00 C ATOM 320 CE LYS A 22 -1.247 15.051 -5.250 1.00 0.00 C ATOM 321 NZ LYS A 22 -1.594 16.482 -5.056 1.00 0.00 N ATOM 0 H LYS A 22 -0.940 10.796 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.686 12.693 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.246 12.568 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.439 11.066 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.159 12.727 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.869 12.345 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.427 14.335 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.750 14.641 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.218 14.973 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.882 14.628 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.470 16.994 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.584 16.560 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.972 16.895 -4.332 1.00 0.00 H new ATOM 335 N GLN A 23 -2.961 9.683 -3.201 1.00 0.00 N ATOM 336 CA GLN A 23 -3.827 8.774 -3.934 1.00 0.00 C ATOM 337 C GLN A 23 -3.867 7.452 -3.174 1.00 0.00 C ATOM 338 O GLN A 23 -3.178 7.324 -2.161 1.00 0.00 O ATOM 339 CB GLN A 23 -3.305 8.529 -5.351 1.00 0.00 C ATOM 340 CG GLN A 23 -2.294 9.546 -5.848 1.00 0.00 C ATOM 341 CD GLN A 23 -1.579 9.073 -7.094 1.00 0.00 C ATOM 342 OE1 GLN A 23 -2.020 9.328 -8.213 1.00 0.00 O ATOM 343 NE2 GLN A 23 -0.464 8.385 -6.905 1.00 0.00 N ATOM 0 H GLN A 23 -2.158 9.227 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.821 9.212 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.850 7.539 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.152 8.516 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.800 10.488 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.563 9.744 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.135 8.197 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.066 8.043 -7.706 1.00 0.00 H new ATOM 352 N PRO A 24 -4.647 6.447 -3.628 1.00 0.00 N ATOM 353 CA PRO A 24 -4.686 5.139 -2.970 1.00 0.00 C ATOM 354 C PRO A 24 -3.290 4.555 -2.769 1.00 0.00 C ATOM 355 O PRO A 24 -2.963 4.135 -1.677 1.00 0.00 O ATOM 356 CB PRO A 24 -5.529 4.280 -3.916 1.00 0.00 C ATOM 357 CG PRO A 24 -6.408 5.261 -4.608 1.00 0.00 C ATOM 358 CD PRO A 24 -5.575 6.504 -4.776 1.00 0.00 C ATOM 0 HA PRO A 24 -5.105 5.193 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.904 3.735 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.112 3.539 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.739 4.878 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.304 5.466 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.041 6.505 -5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.188 7.405 -4.754 1.00 0.00 H new ATOM 366 N ARG A 25 -2.506 4.470 -3.846 1.00 0.00 N ATOM 367 CA ARG A 25 -1.068 4.145 -3.751 1.00 0.00 C ATOM 368 C ARG A 25 -0.414 4.667 -2.471 1.00 0.00 C ATOM 369 O ARG A 25 0.196 3.903 -1.724 1.00 0.00 O ATOM 370 CB ARG A 25 -0.301 4.686 -4.967 1.00 0.00 C ATOM 371 CG ARG A 25 1.213 4.618 -4.793 1.00 0.00 C ATOM 372 CD ARG A 25 1.957 5.183 -5.991 1.00 0.00 C ATOM 373 NE ARG A 25 1.998 4.252 -7.114 1.00 0.00 N ATOM 374 CZ ARG A 25 2.636 4.505 -8.258 1.00 0.00 C ATOM 375 NH1 ARG A 25 3.260 5.667 -8.433 1.00 0.00 N ATOM 376 NH2 ARG A 25 2.641 3.599 -9.226 1.00 0.00 N ATOM 0 H ARG A 25 -2.837 4.621 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.013 3.057 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.586 4.117 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.595 5.720 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.499 5.170 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.512 3.581 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.478 6.109 -6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.975 5.436 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 25 1.513 3.360 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.251 6.367 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.747 5.858 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.158 2.710 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.128 3.791 -10.101 1.00 0.00 H new ATOM 390 N GLN A 26 -0.561 5.952 -2.205 1.00 0.00 N ATOM 391 CA GLN A 26 0.088 6.570 -1.071 1.00 0.00 C ATOM 392 C GLN A 26 -0.604 6.193 0.231 1.00 0.00 C ATOM 393 O GLN A 26 -0.025 6.295 1.311 1.00 0.00 O ATOM 394 CB GLN A 26 0.082 8.080 -1.256 1.00 0.00 C ATOM 395 CG GLN A 26 0.975 8.826 -0.293 1.00 0.00 C ATOM 396 CD GLN A 26 2.419 8.374 -0.373 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.203 8.903 -1.162 1.00 0.00 O ATOM 398 NE2 GLN A 26 2.779 7.394 0.443 1.00 0.00 N ATOM 0 H GLN A 26 -1.128 6.589 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 26 1.116 6.211 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.392 8.311 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.939 8.444 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.920 9.894 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.608 8.682 0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.096 6.985 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.739 7.049 0.433 1.00 0.00 H new ATOM 407 N ALA A 27 -1.824 5.705 0.109 1.00 0.00 N ATOM 408 CA ALA A 27 -2.632 5.333 1.262 1.00 0.00 C ATOM 409 C ALA A 27 -2.497 3.834 1.504 1.00 0.00 C ATOM 410 O ALA A 27 -2.864 3.315 2.557 1.00 0.00 O ATOM 411 CB ALA A 27 -4.086 5.714 1.029 1.00 0.00 C ATOM 0 H ALA A 27 -2.285 5.554 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.281 5.869 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.680 5.431 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.160 6.790 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.462 5.194 0.148 1.00 0.00 H new ATOM 417 N ALA A 28 -1.933 3.157 0.508 1.00 0.00 N ATOM 418 CA ALA A 28 -1.724 1.721 0.544 1.00 0.00 C ATOM 419 C ALA A 28 -0.307 1.471 1.015 1.00 0.00 C ATOM 420 O ALA A 28 -0.004 0.479 1.678 1.00 0.00 O ATOM 421 CB ALA A 28 -1.960 1.106 -0.835 1.00 0.00 C ATOM 0 H ALA A 28 -1.607 3.597 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.432 1.253 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.798 0.029 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.984 1.305 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.267 1.545 -1.553 1.00 0.00 H new ATOM 427 N LEU A 29 0.564 2.402 0.641 1.00 0.00 N ATOM 428 CA LEU A 29 1.928 2.445 1.134 1.00 0.00 C ATOM 429 C LEU A 29 1.940 2.529 2.654 1.00 0.00 C ATOM 430 O LEU A 29 2.730 1.868 3.320 1.00 0.00 O ATOM 431 CB LEU A 29 2.663 3.640 0.516 1.00 0.00 C ATOM 432 CG LEU A 29 3.561 3.295 -0.674 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.561 4.406 -0.913 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.279 1.976 -0.440 1.00 0.00 C ATOM 0 H LEU A 29 0.339 3.149 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 29 2.443 1.529 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.926 4.376 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.271 4.113 1.287 1.00 0.00 H new ATOM 0 HG LEU A 29 2.935 3.190 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.194 4.149 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.030 5.334 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.180 4.536 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.912 1.749 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.895 2.051 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.545 1.180 -0.310 1.00 0.00 H new ATOM 446 N LYS A 30 1.025 3.322 3.188 1.00 0.00 N ATOM 447 CA LYS A 30 0.857 3.460 4.631 1.00 0.00 C ATOM 448 C LYS A 30 0.277 2.200 5.253 1.00 0.00 C ATOM 449 O LYS A 30 0.193 2.083 6.479 1.00 0.00 O ATOM 450 CB LYS A 30 -0.058 4.634 4.961 1.00 0.00 C ATOM 451 CG LYS A 30 0.525 5.993 4.610 1.00 0.00 C ATOM 452 CD LYS A 30 1.863 6.221 5.293 1.00 0.00 C ATOM 453 CE LYS A 30 1.763 6.072 6.805 1.00 0.00 C ATOM 454 NZ LYS A 30 3.071 6.299 7.471 1.00 0.00 N ATOM 0 H LYS A 30 0.378 3.888 2.638 1.00 0.00 H new ATOM 0 HA LYS A 30 1.849 3.636 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.001 4.507 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.288 4.613 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.650 6.068 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.173 6.776 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.594 5.511 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.229 7.219 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.031 6.780 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.400 5.073 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.961 6.189 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.764 5.607 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.406 7.261 7.260 1.00 0.00 H new ATOM 468 N ALA A 31 -0.115 1.257 4.416 1.00 0.00 N ATOM 469 CA ALA A 31 -0.788 0.067 4.889 1.00 0.00 C ATOM 470 C ALA A 31 0.223 -1.068 4.946 1.00 0.00 C ATOM 471 O ALA A 31 0.367 -1.758 5.952 1.00 0.00 O ATOM 472 CB ALA A 31 -1.958 -0.279 3.980 1.00 0.00 C ATOM 0 H ALA A 31 0.022 1.294 3.406 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.194 0.237 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.453 -1.177 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.667 0.548 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.593 -0.457 2.969 1.00 0.00 H new ATOM 478 N ALA A 32 0.959 -1.201 3.845 1.00 0.00 N ATOM 479 CA ALA A 32 1.966 -2.246 3.668 1.00 0.00 C ATOM 480 C ALA A 32 3.212 -1.985 4.486 1.00 0.00 C ATOM 481 O ALA A 32 4.061 -2.861 4.654 1.00 0.00 O ATOM 482 CB ALA A 32 2.353 -2.346 2.205 1.00 0.00 C ATOM 0 H ALA A 32 0.872 -0.579 3.041 1.00 0.00 H new ATOM 0 HA ALA A 32 1.523 -3.180 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.104 -3.126 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.472 -2.591 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.762 -1.392 1.871 1.00 0.00 H new ATOM 488 N ASN A 33 3.301 -0.793 5.027 1.00 0.00 N ATOM 489 CA ASN A 33 4.550 -0.311 5.594 1.00 0.00 C ATOM 490 C ASN A 33 4.718 -0.821 7.019 1.00 0.00 C ATOM 491 O ASN A 33 5.727 -0.559 7.665 1.00 0.00 O ATOM 492 CB ASN A 33 4.592 1.230 5.568 1.00 0.00 C ATOM 493 CG ASN A 33 3.820 1.906 6.704 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.783 1.261 7.226 1.00 0.00 O flip ATOM 495 ND2 ASN A 33 4.169 3.011 7.119 1.00 0.00 N flip ATOM 0 H ASN A 33 2.525 -0.134 5.089 1.00 0.00 H new ATOM 0 HA ASN A 33 5.374 -0.691 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.632 1.553 5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.189 1.576 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.969 3.484 6.699 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.658 3.454 7.883 1.00 0.00 H new ATOM 502 N ARG A 34 3.716 -1.552 7.504 1.00 0.00 N ATOM 503 CA ARG A 34 3.704 -2.036 8.874 1.00 0.00 C ATOM 504 C ARG A 34 3.774 -3.554 8.832 1.00 0.00 C ATOM 505 O ARG A 34 3.503 -4.247 9.812 1.00 0.00 O ATOM 506 CB ARG A 34 2.434 -1.566 9.590 1.00 0.00 C ATOM 507 CG ARG A 34 1.146 -2.131 9.004 1.00 0.00 C ATOM 508 CD ARG A 34 -0.080 -1.433 9.572 1.00 0.00 C ATOM 509 NE ARG A 34 -0.187 -0.045 9.113 1.00 0.00 N ATOM 510 CZ ARG A 34 -0.541 0.973 9.896 1.00 0.00 C ATOM 511 NH1 ARG A 34 -0.787 0.771 11.183 1.00 0.00 N ATOM 512 NH2 ARG A 34 -0.646 2.196 9.389 1.00 0.00 N ATOM 0 H ARG A 34 2.897 -1.821 6.959 1.00 0.00 H new ATOM 0 HA ARG A 34 4.556 -1.642 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.497 -1.848 10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.391 -0.477 9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.159 -2.020 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.088 -3.199 9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.976 -1.981 9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.035 -1.452 10.661 1.00 0.00 H new ATOM 0 HE ARG A 34 0.022 0.153 8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.705 -0.166 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.058 1.553 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.456 2.356 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.917 2.975 9.989 1.00 0.00 H new ATOM 526 N GLY A 35 4.154 -4.047 7.665 1.00 0.00 N ATOM 527 CA GLY A 35 4.108 -5.460 7.377 1.00 0.00 C ATOM 528 C GLY A 35 5.460 -5.996 7.023 1.00 0.00 C ATOM 529 O GLY A 35 6.413 -5.876 7.792 1.00 0.00 O ATOM 0 H GLY A 35 4.502 -3.475 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.719 -5.996 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.417 -5.641 6.554 1.00 0.00 H new ATOM 533 N SER A 36 5.538 -6.513 5.820 1.00 0.00 N ATOM 534 CA SER A 36 6.693 -7.225 5.305 1.00 0.00 C ATOM 535 C SER A 36 6.331 -7.727 3.928 1.00 0.00 C ATOM 536 O SER A 36 7.064 -7.515 2.967 1.00 0.00 O ATOM 537 CB SER A 36 7.093 -8.418 6.192 1.00 0.00 C ATOM 538 OG SER A 36 7.722 -7.998 7.392 1.00 0.00 O ATOM 0 H SER A 36 4.775 -6.450 5.146 1.00 0.00 H new ATOM 0 HA SER A 36 7.546 -6.547 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.206 -9.004 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.767 -9.072 5.639 1.00 0.00 H new ATOM 0 HG SER A 36 7.579 -7.037 7.517 1.00 0.00 H new ATOM 544 N GLY A 37 5.144 -8.328 3.842 1.00 0.00 N ATOM 545 CA GLY A 37 4.695 -8.940 2.600 1.00 0.00 C ATOM 546 C GLY A 37 5.754 -9.809 1.932 1.00 0.00 C ATOM 547 O GLY A 37 6.748 -10.191 2.554 1.00 0.00 O ATOM 0 H GLY A 37 4.482 -8.402 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.813 -9.547 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.390 -8.156 1.907 1.00 0.00 H new ATOM 551 N THR A 38 5.521 -10.129 0.665 1.00 0.00 N ATOM 552 CA THR A 38 6.462 -10.885 -0.150 1.00 0.00 C ATOM 553 C THR A 38 6.202 -10.607 -1.618 1.00 0.00 C ATOM 554 O THR A 38 5.058 -10.484 -2.036 1.00 0.00 O ATOM 555 CB THR A 38 6.310 -12.397 0.073 1.00 0.00 C ATOM 556 OG1 THR A 38 4.925 -12.724 0.063 1.00 0.00 O ATOM 557 CG2 THR A 38 6.931 -12.864 1.375 1.00 0.00 C ATOM 0 H THR A 38 4.667 -9.869 0.171 1.00 0.00 H new ATOM 0 HA THR A 38 7.467 -10.576 0.139 1.00 0.00 H new ATOM 0 HB THR A 38 6.840 -12.906 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.808 -13.642 -0.259 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.793 -13.940 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.996 -12.633 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.451 -12.355 2.210 1.00 0.00 H new ATOM 565 N LYS A 39 7.267 -10.506 -2.390 1.00 0.00 N ATOM 566 CA LYS A 39 7.168 -10.307 -3.827 1.00 0.00 C ATOM 567 C LYS A 39 6.555 -11.535 -4.492 1.00 0.00 C ATOM 568 O LYS A 39 6.010 -11.471 -5.595 1.00 0.00 O ATOM 569 CB LYS A 39 8.557 -10.036 -4.388 1.00 0.00 C ATOM 570 CG LYS A 39 8.539 -9.693 -5.852 1.00 0.00 C ATOM 571 CD LYS A 39 9.881 -9.145 -6.309 1.00 0.00 C ATOM 572 CE LYS A 39 9.820 -8.603 -7.724 1.00 0.00 C ATOM 573 NZ LYS A 39 11.115 -7.997 -8.136 1.00 0.00 N ATOM 0 H LYS A 39 8.224 -10.559 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 39 6.522 -9.454 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.014 -9.216 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.184 -10.914 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.290 -10.581 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.759 -8.957 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.200 -8.353 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.632 -9.933 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.560 -9.408 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.030 -7.856 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.979 -7.447 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.460 -7.370 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.812 -8.750 -8.306 1.00 0.00 H new ATOM 587 N ALA A 40 6.670 -12.644 -3.794 1.00 0.00 N ATOM 588 CA ALA A 40 6.115 -13.921 -4.230 1.00 0.00 C ATOM 589 C ALA A 40 4.594 -13.891 -4.261 1.00 0.00 C ATOM 590 O ALA A 40 3.969 -14.364 -5.214 1.00 0.00 O ATOM 591 CB ALA A 40 6.586 -15.033 -3.307 1.00 0.00 C ATOM 0 H ALA A 40 7.155 -12.692 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 40 6.469 -14.108 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.167 -15.983 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.674 -15.088 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.254 -14.826 -2.289 1.00 0.00 H new ATOM 597 N ASN A 41 4.009 -13.309 -3.231 1.00 0.00 N ATOM 598 CA ASN A 41 2.557 -13.227 -3.109 1.00 0.00 C ATOM 599 C ASN A 41 2.159 -12.079 -2.184 1.00 0.00 C ATOM 600 O ASN A 41 1.771 -12.293 -1.036 1.00 0.00 O ATOM 601 CB ASN A 41 1.941 -14.569 -2.644 1.00 0.00 C ATOM 602 CG ASN A 41 2.693 -15.281 -1.517 1.00 0.00 C ATOM 603 OD1 ASN A 41 3.229 -14.540 -0.569 1.00 0.00 O flip ATOM 604 ND2 ASN A 41 2.764 -16.509 -1.494 1.00 0.00 N flip ATOM 0 H ASN A 41 4.518 -12.881 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 41 2.152 -13.021 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.918 -14.385 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.885 -15.240 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.340 -17.058 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.247 -16.978 -0.728 1.00 0.00 H new ATOM 611 N PRO A 42 2.281 -10.837 -2.689 1.00 0.00 N ATOM 612 CA PRO A 42 1.982 -9.622 -1.924 1.00 0.00 C ATOM 613 C PRO A 42 0.605 -9.629 -1.292 1.00 0.00 C ATOM 614 O PRO A 42 -0.401 -9.851 -1.972 1.00 0.00 O ATOM 615 CB PRO A 42 2.023 -8.512 -2.957 1.00 0.00 C ATOM 616 CG PRO A 42 2.870 -9.025 -4.068 1.00 0.00 C ATOM 617 CD PRO A 42 2.746 -10.527 -4.052 1.00 0.00 C ATOM 0 HA PRO A 42 2.691 -9.516 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.021 -8.268 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.443 -7.599 -2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.540 -8.620 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.908 -8.721 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.038 -10.876 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.701 -11.008 -4.266 1.00 0.00 H new ATOM 625 N ASP A 43 0.583 -9.414 0.014 1.00 0.00 N ATOM 626 CA ASP A 43 -0.655 -9.237 0.768 1.00 0.00 C ATOM 627 C ASP A 43 -1.647 -8.360 0.036 1.00 0.00 C ATOM 628 O ASP A 43 -1.331 -7.243 -0.373 1.00 0.00 O ATOM 629 CB ASP A 43 -0.378 -8.619 2.141 1.00 0.00 C ATOM 630 CG ASP A 43 0.289 -9.569 3.112 1.00 0.00 C ATOM 631 OD1 ASP A 43 1.526 -9.742 3.039 1.00 0.00 O ATOM 632 OD2 ASP A 43 -0.416 -10.131 3.977 1.00 0.00 O ATOM 0 H ASP A 43 1.425 -9.357 0.586 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.085 -10.231 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.255 -7.741 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.319 -8.275 2.571 1.00 0.00 H new ATOM 637 N ILE A 44 -2.850 -8.865 -0.114 1.00 0.00 N ATOM 638 CA ILE A 44 -3.897 -8.122 -0.772 1.00 0.00 C ATOM 639 C ILE A 44 -4.511 -7.130 0.191 1.00 0.00 C ATOM 640 O ILE A 44 -5.091 -7.505 1.212 1.00 0.00 O ATOM 641 CB ILE A 44 -4.980 -9.055 -1.359 1.00 0.00 C ATOM 642 CG1 ILE A 44 -4.450 -9.716 -2.634 1.00 0.00 C ATOM 643 CG2 ILE A 44 -6.272 -8.299 -1.638 1.00 0.00 C ATOM 644 CD1 ILE A 44 -4.015 -8.717 -3.684 1.00 0.00 C ATOM 0 H ILE A 44 -3.127 -9.791 0.212 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.451 -7.580 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.209 -9.827 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.606 -10.357 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.225 -10.359 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.013 -8.984 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.651 -7.871 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.079 -7.500 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.650 -9.249 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.863 -8.092 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.219 -8.090 -3.282 1.00 0.00 H new ATOM 656 N ILE A 45 -4.349 -5.862 -0.123 1.00 0.00 N ATOM 657 CA ILE A 45 -4.895 -4.807 0.706 1.00 0.00 C ATOM 658 C ILE A 45 -6.107 -4.188 0.032 1.00 0.00 C ATOM 659 O ILE A 45 -6.238 -4.225 -1.190 1.00 0.00 O ATOM 660 CB ILE A 45 -3.842 -3.717 1.042 1.00 0.00 C ATOM 661 CG1 ILE A 45 -3.136 -3.204 -0.216 1.00 0.00 C ATOM 662 CG2 ILE A 45 -2.821 -4.246 2.032 1.00 0.00 C ATOM 663 CD1 ILE A 45 -3.898 -2.119 -0.939 1.00 0.00 C ATOM 0 H ILE A 45 -3.843 -5.536 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.199 -5.258 1.651 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.375 -2.880 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.153 -2.823 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.975 -4.039 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.092 -3.467 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.326 -4.544 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.311 -5.108 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.337 -1.805 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.872 -2.501 -1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.036 -1.266 -0.274 1.00 0.00 H new ATOM 675 N ARG A 46 -6.984 -3.621 0.828 1.00 0.00 N ATOM 676 CA ARG A 46 -8.196 -3.019 0.316 1.00 0.00 C ATOM 677 C ARG A 46 -8.354 -1.616 0.871 1.00 0.00 C ATOM 678 O ARG A 46 -8.754 -1.442 2.023 1.00 0.00 O ATOM 679 CB ARG A 46 -9.414 -3.858 0.701 1.00 0.00 C ATOM 680 CG ARG A 46 -10.145 -4.463 -0.482 1.00 0.00 C ATOM 681 CD ARG A 46 -9.356 -5.587 -1.122 1.00 0.00 C ATOM 682 NE ARG A 46 -9.985 -6.047 -2.356 1.00 0.00 N ATOM 683 CZ ARG A 46 -10.228 -7.332 -2.634 1.00 0.00 C ATOM 684 NH1 ARG A 46 -9.926 -8.282 -1.754 1.00 0.00 N ATOM 685 NH2 ARG A 46 -10.780 -7.673 -3.791 1.00 0.00 N ATOM 0 H ARG A 46 -6.880 -3.563 1.841 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.125 -2.974 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.094 -4.660 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.109 -3.235 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.114 -4.841 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.339 -3.688 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.342 -5.247 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.273 -6.419 -0.423 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.255 -5.347 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.506 -8.033 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.115 -9.260 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.021 -6.954 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.964 -8.655 -3.999 1.00 0.00 H new ATOM 699 N LEU A 47 -8.030 -0.615 0.065 1.00 0.00 N ATOM 700 CA LEU A 47 -8.221 0.764 0.483 1.00 0.00 C ATOM 701 C LEU A 47 -9.536 1.270 -0.054 1.00 0.00 C ATOM 702 O LEU A 47 -9.870 1.052 -1.219 1.00 0.00 O ATOM 703 CB LEU A 47 -7.082 1.686 0.026 1.00 0.00 C ATOM 704 CG LEU A 47 -5.847 1.714 0.935 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.229 2.158 2.337 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.168 0.358 0.977 1.00 0.00 C ATOM 0 H LEU A 47 -7.639 -0.730 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.223 0.778 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.769 1.380 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.472 2.700 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.141 2.433 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.341 2.172 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.662 3.158 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.959 1.463 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.296 0.408 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.866 -0.387 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.854 0.077 -0.028 1.00 0.00 H new ATOM 718 N ARG A 48 -10.271 1.949 0.789 1.00 0.00 N ATOM 719 CA ARG A 48 -11.590 2.413 0.441 1.00 0.00 C ATOM 720 C ARG A 48 -11.734 3.872 0.839 1.00 0.00 C ATOM 721 O ARG A 48 -11.693 4.205 2.022 1.00 0.00 O ATOM 722 CB ARG A 48 -12.642 1.524 1.118 1.00 0.00 C ATOM 723 CG ARG A 48 -14.018 2.164 1.225 1.00 0.00 C ATOM 724 CD ARG A 48 -15.071 1.158 1.648 1.00 0.00 C ATOM 725 NE ARG A 48 -16.370 1.798 1.881 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.395 1.207 2.497 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.272 -0.032 2.955 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.528 1.872 2.690 1.00 0.00 N ATOM 0 H ARG A 48 -9.974 2.195 1.733 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.744 2.346 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.729 0.592 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.294 1.265 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.985 2.981 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.294 2.598 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.175 0.394 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.746 0.652 2.557 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.498 2.755 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.392 -0.535 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.057 -0.482 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.615 2.836 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.311 1.419 3.161 1.00 0.00 H new ATOM 742 N GLU A 49 -11.859 4.745 -0.152 1.00 0.00 N ATOM 743 CA GLU A 49 -11.966 6.178 0.073 1.00 0.00 C ATOM 744 C GLU A 49 -13.181 6.481 0.931 1.00 0.00 C ATOM 745 O GLU A 49 -14.303 6.288 0.485 1.00 0.00 O ATOM 746 CB GLU A 49 -12.145 6.877 -1.270 1.00 0.00 C ATOM 747 CG GLU A 49 -11.087 6.569 -2.302 1.00 0.00 C ATOM 748 CD GLU A 49 -11.410 7.172 -3.650 1.00 0.00 C ATOM 749 OE1 GLU A 49 -11.313 8.403 -3.795 1.00 0.00 O ATOM 750 OE2 GLU A 49 -11.771 6.413 -4.576 1.00 0.00 O ATOM 0 H GLU A 49 -11.889 4.477 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.064 6.527 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.118 6.602 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.163 7.954 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.125 6.948 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.986 5.489 -2.404 1.00 0.00 H new ATOM 757 N ARG A 50 -12.930 6.878 2.180 1.00 0.00 N ATOM 758 CA ARG A 50 -13.978 7.335 3.116 1.00 0.00 C ATOM 759 C ARG A 50 -15.124 8.085 2.436 1.00 0.00 C ATOM 760 O ARG A 50 -16.287 7.867 2.763 1.00 0.00 O ATOM 761 CB ARG A 50 -13.403 8.249 4.211 1.00 0.00 C ATOM 762 CG ARG A 50 -12.037 7.856 4.741 1.00 0.00 C ATOM 763 CD ARG A 50 -11.885 8.254 6.206 1.00 0.00 C ATOM 764 NE ARG A 50 -12.784 7.486 7.069 1.00 0.00 N ATOM 765 CZ ARG A 50 -12.758 7.503 8.404 1.00 0.00 C ATOM 766 NH1 ARG A 50 -11.975 8.357 9.055 1.00 0.00 N ATOM 767 NH2 ARG A 50 -13.544 6.679 9.089 1.00 0.00 N ATOM 0 H ARG A 50 -11.992 6.894 2.580 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.373 6.416 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.342 9.264 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.104 8.272 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.898 6.780 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.260 8.337 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.854 8.096 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.093 9.318 6.318 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.482 6.894 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.386 9.008 8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.963 8.362 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.164 6.037 8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.527 6.689 10.109 1.00 0.00 H new ATOM 781 N GLY A 51 -14.796 8.985 1.517 1.00 0.00 N ATOM 782 CA GLY A 51 -15.821 9.773 0.857 1.00 0.00 C ATOM 783 C GLY A 51 -16.640 8.961 -0.131 1.00 0.00 C ATOM 784 O GLY A 51 -17.791 9.292 -0.418 1.00 0.00 O ATOM 0 H GLY A 51 -13.841 9.183 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.485 10.200 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.352 10.607 0.335 1.00 0.00 H new ATOM 788 N THR A 52 -16.036 7.909 -0.660 1.00 0.00 N ATOM 789 CA THR A 52 -16.683 7.055 -1.644 1.00 0.00 C ATOM 790 C THR A 52 -17.152 5.746 -1.009 1.00 0.00 C ATOM 791 O THR A 52 -17.026 5.540 0.199 1.00 0.00 O ATOM 792 CB THR A 52 -15.695 6.710 -2.779 1.00 0.00 C ATOM 793 OG1 THR A 52 -14.809 5.668 -2.356 1.00 0.00 O ATOM 794 CG2 THR A 52 -14.860 7.919 -3.167 1.00 0.00 C ATOM 0 H THR A 52 -15.087 7.623 -0.421 1.00 0.00 H new ATOM 0 HA THR A 52 -17.542 7.599 -2.038 1.00 0.00 H new ATOM 0 HB THR A 52 -16.281 6.387 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.136 5.509 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.174 7.645 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.516 8.720 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.291 8.260 -2.303 1.00 0.00 H new ATOM 802 N LYS A 53 -17.704 4.867 -1.833 1.00 0.00 N ATOM 803 CA LYS A 53 -17.978 3.501 -1.417 1.00 0.00 C ATOM 804 C LYS A 53 -17.238 2.529 -2.322 1.00 0.00 C ATOM 805 O LYS A 53 -17.381 1.315 -2.193 1.00 0.00 O ATOM 806 CB LYS A 53 -19.478 3.192 -1.442 1.00 0.00 C ATOM 807 CG LYS A 53 -20.294 3.985 -0.437 1.00 0.00 C ATOM 808 CD LYS A 53 -21.720 3.468 -0.354 1.00 0.00 C ATOM 809 CE LYS A 53 -22.439 3.589 -1.688 1.00 0.00 C ATOM 810 NZ LYS A 53 -23.816 3.034 -1.637 1.00 0.00 N ATOM 0 H LYS A 53 -17.971 5.077 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.630 3.388 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.862 3.391 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.622 2.128 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.825 3.924 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.302 5.037 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.711 2.425 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.266 4.027 0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -22.483 4.638 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.867 3.067 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -24.267 3.138 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.775 2.026 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -24.371 3.548 -0.924 1.00 0.00 H new ATOM 824 N LYS A 54 -16.438 3.069 -3.238 1.00 0.00 N ATOM 825 CA LYS A 54 -15.690 2.236 -4.158 1.00 0.00 C ATOM 826 C LYS A 54 -14.322 1.906 -3.579 1.00 0.00 C ATOM 827 O LYS A 54 -13.620 2.777 -3.058 1.00 0.00 O ATOM 828 CB LYS A 54 -15.567 2.882 -5.541 1.00 0.00 C ATOM 829 CG LYS A 54 -14.788 4.176 -5.569 1.00 0.00 C ATOM 830 CD LYS A 54 -14.841 4.811 -6.955 1.00 0.00 C ATOM 831 CE LYS A 54 -13.874 5.978 -7.100 1.00 0.00 C ATOM 832 NZ LYS A 54 -14.130 7.049 -6.106 1.00 0.00 N ATOM 0 H LYS A 54 -16.296 4.072 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.242 1.306 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.090 2.172 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.568 3.068 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.196 4.867 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.751 3.988 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.609 4.056 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.855 5.157 -7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.852 5.616 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.955 6.391 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.152 7.971 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.045 6.879 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.373 7.048 -5.392 1.00 0.00 H new ATOM 846 N VAL A 55 -13.956 0.642 -3.653 1.00 0.00 N ATOM 847 CA VAL A 55 -12.729 0.172 -3.031 1.00 0.00 C ATOM 848 C VAL A 55 -11.635 -0.045 -4.083 1.00 0.00 C ATOM 849 O VAL A 55 -11.922 -0.279 -5.258 1.00 0.00 O ATOM 850 CB VAL A 55 -12.985 -1.126 -2.236 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.774 -1.511 -1.399 1.00 0.00 C ATOM 852 CG2 VAL A 55 -14.220 -0.987 -1.356 1.00 0.00 C ATOM 0 H VAL A 55 -14.489 -0.080 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.385 0.937 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.162 -1.924 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.987 -2.429 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.916 -1.669 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.551 -0.711 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.381 -1.914 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.075 -0.167 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.090 -0.780 -1.980 1.00 0.00 H new ATOM 862 N HIS A 56 -10.380 0.062 -3.660 1.00 0.00 N ATOM 863 CA HIS A 56 -9.242 -0.090 -4.562 1.00 0.00 C ATOM 864 C HIS A 56 -8.246 -1.097 -3.986 1.00 0.00 C ATOM 865 O HIS A 56 -7.631 -0.841 -2.947 1.00 0.00 O ATOM 866 CB HIS A 56 -8.550 1.272 -4.779 1.00 0.00 C ATOM 867 CG HIS A 56 -9.471 2.381 -5.218 1.00 0.00 C ATOM 868 ND1 HIS A 56 -9.895 2.535 -6.522 1.00 0.00 N ATOM 869 CD2 HIS A 56 -10.052 3.400 -4.519 1.00 0.00 C ATOM 870 CE1 HIS A 56 -10.688 3.587 -6.606 1.00 0.00 C ATOM 871 NE2 HIS A 56 -10.799 4.125 -5.408 1.00 0.00 N ATOM 0 H HIS A 56 -10.123 0.255 -2.692 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.602 -0.459 -5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.062 1.569 -3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.766 1.151 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.943 3.597 -3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -11.166 3.946 -7.505 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -11.353 4.950 -5.180 1.00 0.00 H new ATOM 880 N VAL A 57 -8.111 -2.248 -4.640 1.00 0.00 N ATOM 881 CA VAL A 57 -7.213 -3.298 -4.149 1.00 0.00 C ATOM 882 C VAL A 57 -5.850 -3.300 -4.843 1.00 0.00 C ATOM 883 O VAL A 57 -5.729 -3.342 -6.069 1.00 0.00 O ATOM 884 CB VAL A 57 -7.853 -4.713 -4.230 1.00 0.00 C ATOM 885 CG1 VAL A 57 -8.468 -4.992 -5.590 1.00 0.00 C ATOM 886 CG2 VAL A 57 -6.832 -5.791 -3.889 1.00 0.00 C ATOM 0 H VAL A 57 -8.605 -2.479 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.047 -3.054 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.657 -4.735 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.901 -5.992 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.247 -4.258 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.697 -4.927 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.303 -6.772 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.001 -5.741 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.460 -5.632 -2.877 1.00 0.00 H new ATOM 896 N PHE A 58 -4.833 -3.243 -4.008 1.00 0.00 N ATOM 897 CA PHE A 58 -3.441 -3.342 -4.415 1.00 0.00 C ATOM 898 C PHE A 58 -2.880 -4.634 -3.826 1.00 0.00 C ATOM 899 O PHE A 58 -3.621 -5.412 -3.227 1.00 0.00 O ATOM 900 CB PHE A 58 -2.598 -2.155 -3.924 1.00 0.00 C ATOM 901 CG PHE A 58 -2.995 -0.787 -4.397 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.318 -0.411 -4.586 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.001 0.140 -4.641 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.631 0.862 -5.007 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.309 1.408 -5.058 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.624 1.772 -5.242 1.00 0.00 C ATOM 0 H PHE A 58 -4.951 -3.124 -3.002 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.395 -3.336 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.619 -2.154 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.564 -2.329 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.109 -1.123 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.967 -0.138 -4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.663 1.146 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.520 2.122 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.866 2.772 -5.571 1.00 0.00 H new ATOM 916 N LYS A 59 -1.579 -4.855 -3.958 1.00 0.00 N ATOM 917 CA LYS A 59 -0.967 -6.063 -3.428 1.00 0.00 C ATOM 918 C LYS A 59 0.385 -5.639 -2.859 1.00 0.00 C ATOM 919 O LYS A 59 1.199 -5.044 -3.559 1.00 0.00 O ATOM 920 CB LYS A 59 -0.836 -7.193 -4.452 1.00 0.00 C ATOM 921 CG LYS A 59 -0.205 -6.819 -5.779 1.00 0.00 C ATOM 922 CD LYS A 59 0.045 -8.069 -6.612 1.00 0.00 C ATOM 923 CE LYS A 59 -1.205 -8.939 -6.700 1.00 0.00 C ATOM 924 NZ LYS A 59 -0.922 -10.260 -7.319 1.00 0.00 N ATOM 0 H LYS A 59 -0.932 -4.218 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.608 -6.494 -2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.247 -7.994 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.829 -7.597 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.859 -6.136 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.734 -6.293 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.362 -7.782 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.860 -8.644 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.614 -9.087 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.967 -8.421 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.798 -10.819 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.555 -10.121 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.214 -10.766 -6.749 1.00 0.00 H new ATOM 938 N ALA A 60 0.573 -5.884 -1.573 1.00 0.00 N ATOM 939 CA ALA A 60 1.650 -5.259 -0.808 1.00 0.00 C ATOM 940 C ALA A 60 2.771 -6.221 -0.424 1.00 0.00 C ATOM 941 O ALA A 60 2.523 -7.362 -0.040 1.00 0.00 O ATOM 942 CB ALA A 60 1.055 -4.652 0.437 1.00 0.00 C ATOM 0 H ALA A 60 -0.011 -6.518 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 60 2.108 -4.504 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.843 -4.179 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.312 -3.905 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.579 -5.433 1.031 1.00 0.00 H new ATOM 948 N TRP A 61 4.008 -5.736 -0.490 1.00 0.00 N ATOM 949 CA TRP A 61 5.173 -6.565 -0.202 1.00 0.00 C ATOM 950 C TRP A 61 6.390 -5.676 0.115 1.00 0.00 C ATOM 951 O TRP A 61 6.254 -4.461 0.221 1.00 0.00 O ATOM 952 CB TRP A 61 5.453 -7.450 -1.423 1.00 0.00 C ATOM 953 CG TRP A 61 6.119 -6.704 -2.536 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.442 -6.719 -2.839 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.502 -5.816 -3.475 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.694 -5.873 -3.884 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.520 -5.309 -4.297 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.190 -5.397 -3.694 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.270 -4.395 -5.317 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.942 -4.497 -4.711 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.978 -4.001 -5.508 1.00 0.00 C ATOM 0 H TRP A 61 4.229 -4.772 -0.741 1.00 0.00 H new ATOM 0 HA TRP A 61 4.981 -7.193 0.668 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.084 -8.287 -1.123 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.515 -7.872 -1.784 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.187 -7.312 -2.329 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.612 -5.692 -4.290 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.383 -5.769 -3.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.069 -4.012 -5.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.929 -4.170 -4.894 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.751 -3.292 -6.290 1.00 0.00 H new ATOM 972 N LYS A 62 7.566 -6.284 0.287 1.00 0.00 N ATOM 973 CA LYS A 62 8.825 -5.537 0.435 1.00 0.00 C ATOM 974 C LYS A 62 9.867 -6.040 -0.562 1.00 0.00 C ATOM 975 O LYS A 62 9.840 -7.207 -0.967 1.00 0.00 O ATOM 976 CB LYS A 62 9.373 -5.633 1.865 1.00 0.00 C ATOM 977 CG LYS A 62 8.628 -4.772 2.879 1.00 0.00 C ATOM 978 CD LYS A 62 9.355 -4.725 4.207 1.00 0.00 C ATOM 979 CE LYS A 62 8.607 -3.861 5.190 1.00 0.00 C ATOM 980 NZ LYS A 62 9.145 -3.980 6.572 1.00 0.00 N ATOM 0 H LYS A 62 7.676 -7.297 0.328 1.00 0.00 H new ATOM 0 HA LYS A 62 8.611 -4.489 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.332 -6.673 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.423 -5.342 1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.517 -3.761 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.624 -5.169 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.459 -5.734 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.362 -4.334 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.661 -2.820 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.554 -4.141 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.599 -3.368 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.070 -4.967 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.143 -3.688 6.582 1.00 0.00 H new ATOM 994 N GLU A 63 10.800 -5.163 -0.929 1.00 0.00 N ATOM 995 CA GLU A 63 11.643 -5.389 -2.116 1.00 0.00 C ATOM 996 C GLU A 63 12.884 -4.500 -2.145 1.00 0.00 C ATOM 997 O GLU A 63 13.096 -3.668 -1.256 1.00 0.00 O ATOM 998 CB GLU A 63 10.835 -5.064 -3.357 1.00 0.00 C ATOM 999 CG GLU A 63 10.735 -6.164 -4.382 1.00 0.00 C ATOM 1000 CD GLU A 63 12.050 -6.530 -5.033 1.00 0.00 C ATOM 1001 OE1 GLU A 63 12.919 -7.113 -4.358 1.00 0.00 O ATOM 1002 OE2 GLU A 63 12.214 -6.236 -6.236 1.00 0.00 O ATOM 0 H GLU A 63 10.995 -4.295 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 63 11.963 -6.430 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.827 -4.788 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.274 -4.188 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.319 -7.052 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.032 -5.859 -5.157 1.00 0.00 H new ATOM 1009 N ILE A 64 13.710 -4.708 -3.177 1.00 0.00 N ATOM 1010 CA ILE A 64 14.774 -3.800 -3.507 1.00 0.00 C ATOM 1011 C ILE A 64 14.215 -2.426 -3.880 1.00 0.00 C ATOM 1012 O ILE A 64 13.209 -2.296 -4.581 1.00 0.00 O ATOM 1013 CB ILE A 64 15.642 -4.342 -4.649 1.00 0.00 C ATOM 1014 CG1 ILE A 64 14.845 -4.423 -5.943 1.00 0.00 C ATOM 1015 CG2 ILE A 64 16.211 -5.702 -4.281 1.00 0.00 C ATOM 1016 CD1 ILE A 64 15.712 -4.469 -7.183 1.00 0.00 C ATOM 0 H ILE A 64 13.646 -5.516 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 64 15.403 -3.699 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 64 16.471 -3.652 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.214 -5.311 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.180 -3.562 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.825 -6.074 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.822 -5.610 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 64 15.395 -6.399 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.078 -4.526 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.324 -3.569 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 16.359 -5.346 -7.143 1.00 0.00 H new ATOM 1028 N VAL A 65 14.883 -1.420 -3.367 1.00 0.00 N ATOM 1029 CA VAL A 65 14.374 -0.058 -3.328 1.00 0.00 C ATOM 1030 C VAL A 65 14.899 0.899 -4.425 1.00 0.00 C ATOM 1031 O VAL A 65 15.409 0.489 -5.460 1.00 0.00 O ATOM 1032 CB VAL A 65 14.589 0.517 -1.915 1.00 0.00 C ATOM 1033 CG1 VAL A 65 14.353 -0.598 -0.911 1.00 0.00 C ATOM 1034 CG2 VAL A 65 15.970 1.123 -1.723 1.00 0.00 C ATOM 0 H VAL A 65 15.811 -1.520 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 65 13.311 -0.129 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 65 13.882 1.333 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.500 -0.215 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.334 -0.970 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.056 -1.410 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.059 1.511 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 65 16.729 0.358 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.113 1.935 -2.436 1.00 0.00 H new ATOM 1044 N ASP A 66 14.677 2.177 -4.121 1.00 0.00 N ATOM 1045 CA ASP A 66 14.772 3.339 -5.030 1.00 0.00 C ATOM 1046 C ASP A 66 15.855 3.248 -6.137 1.00 0.00 C ATOM 1047 O ASP A 66 15.579 2.730 -7.223 1.00 0.00 O ATOM 1048 CB ASP A 66 14.980 4.606 -4.196 1.00 0.00 C ATOM 1049 CG ASP A 66 14.943 5.883 -5.014 1.00 0.00 C ATOM 1050 OD1 ASP A 66 13.951 6.105 -5.739 1.00 0.00 O ATOM 1051 OD2 ASP A 66 15.902 6.678 -4.911 1.00 0.00 O ATOM 0 H ASP A 66 14.409 2.455 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 66 13.829 3.360 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.210 4.655 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.940 4.540 -3.683 1.00 0.00 H new ATOM 1056 N ALA A 67 17.059 3.798 -5.880 1.00 0.00 N ATOM 1057 CA ALA A 67 18.068 4.045 -6.933 1.00 0.00 C ATOM 1058 C ALA A 67 18.398 2.867 -7.865 1.00 0.00 C ATOM 1059 O ALA A 67 18.313 1.699 -7.496 1.00 0.00 O ATOM 1060 CB ALA A 67 19.336 4.570 -6.282 1.00 0.00 C ATOM 0 H ALA A 67 17.358 4.081 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 67 17.611 4.777 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 67 20.088 4.756 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 67 19.117 5.499 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 67 19.714 3.832 -5.574 1.00 0.00 H new ATOM 1066 N PRO A 68 18.778 3.216 -9.120 1.00 0.00 N ATOM 1067 CA PRO A 68 19.002 2.301 -10.232 1.00 0.00 C ATOM 1068 C PRO A 68 20.479 2.147 -10.673 1.00 0.00 C ATOM 1069 O PRO A 68 21.275 1.485 -10.011 1.00 0.00 O ATOM 1070 CB PRO A 68 18.225 3.034 -11.332 1.00 0.00 C ATOM 1071 CG PRO A 68 18.281 4.495 -10.956 1.00 0.00 C ATOM 1072 CD PRO A 68 18.957 4.571 -9.608 1.00 0.00 C ATOM 0 HA PRO A 68 18.705 1.281 -9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.673 2.863 -12.311 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.195 2.682 -11.387 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.837 5.065 -11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 68 17.279 4.922 -10.911 1.00 0.00 H new ATOM 0 HD2 PRO A 68 20.010 4.842 -9.691 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.489 5.308 -8.955 1.00 0.00 H new ATOM 1080 N LYS A 69 20.832 2.807 -11.791 1.00 0.00 N ATOM 1081 CA LYS A 69 22.105 2.576 -12.489 1.00 0.00 C ATOM 1082 C LYS A 69 23.255 3.360 -11.870 1.00 0.00 C ATOM 1083 O LYS A 69 24.418 2.988 -12.029 1.00 0.00 O ATOM 1084 CB LYS A 69 21.992 2.947 -13.973 1.00 0.00 C ATOM 1085 CG LYS A 69 21.276 1.917 -14.842 1.00 0.00 C ATOM 1086 CD LYS A 69 19.824 1.729 -14.434 1.00 0.00 C ATOM 1087 CE LYS A 69 19.059 0.922 -15.468 1.00 0.00 C ATOM 1088 NZ LYS A 69 18.820 1.704 -16.709 1.00 0.00 N ATOM 0 H LYS A 69 20.243 3.513 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 69 22.320 1.512 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.466 3.898 -14.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.995 3.102 -14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 69 21.321 2.231 -15.885 1.00 0.00 H new ATOM 0 HG3 LYS A 69 21.797 0.962 -14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.778 1.224 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.351 2.703 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.617 0.018 -15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.104 0.605 -15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.104 1.223 -17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.481 2.655 -16.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.707 1.782 -17.246 1.00 0.00 H new ATOM 1102 N ASN A 70 22.936 4.450 -11.175 1.00 0.00 N ATOM 1103 CA ASN A 70 23.950 5.221 -10.440 1.00 0.00 C ATOM 1104 C ASN A 70 24.545 4.384 -9.320 1.00 0.00 C ATOM 1105 O ASN A 70 25.510 4.759 -8.653 1.00 0.00 O ATOM 1106 CB ASN A 70 23.341 6.493 -9.863 1.00 0.00 C ATOM 1107 CG ASN A 70 23.100 7.565 -10.902 1.00 0.00 C ATOM 1108 OD1 ASN A 70 22.060 7.585 -11.561 1.00 0.00 O ATOM 1109 ND2 ASN A 70 24.040 8.482 -11.031 1.00 0.00 N ATOM 0 H ASN A 70 21.989 4.822 -11.102 1.00 0.00 H new ATOM 0 HA ASN A 70 24.741 5.494 -11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 70 22.396 6.248 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 70 24.003 6.887 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.920 9.245 -11.697 1.00 0.00 H new ATOM 0 HD22 ASN A 70 24.887 8.428 -10.465 1.00 0.00 H new ATOM 1116 N ARG A 71 23.929 3.253 -9.142 1.00 0.00 N ATOM 1117 CA ARG A 71 24.271 2.293 -8.124 1.00 0.00 C ATOM 1118 C ARG A 71 24.721 0.990 -8.786 1.00 0.00 C ATOM 1119 O ARG A 71 24.612 0.866 -10.007 1.00 0.00 O ATOM 1120 CB ARG A 71 23.029 2.092 -7.272 1.00 0.00 C ATOM 1121 CG ARG A 71 22.479 3.398 -6.750 1.00 0.00 C ATOM 1122 CD ARG A 71 23.411 4.015 -5.744 1.00 0.00 C ATOM 1123 NE ARG A 71 23.301 3.363 -4.441 1.00 0.00 N ATOM 1124 CZ ARG A 71 24.281 3.321 -3.541 1.00 0.00 C ATOM 1125 NH1 ARG A 71 25.426 3.950 -3.774 1.00 0.00 N ATOM 1126 NH2 ARG A 71 24.111 2.660 -2.401 1.00 0.00 N ATOM 0 H ARG A 71 23.144 2.959 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 71 25.094 2.637 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.264 1.587 -7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.268 1.439 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.325 4.089 -7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.505 3.228 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 71 24.437 3.940 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.186 5.076 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 71 22.417 2.911 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 71 25.556 4.467 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.176 3.917 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.229 2.184 -2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.863 2.629 -1.713 1.00 0.00 H new ATOM 1140 N PRO A 72 25.265 0.017 -8.029 1.00 0.00 N ATOM 1141 CA PRO A 72 25.671 -1.273 -8.602 1.00 0.00 C ATOM 1142 C PRO A 72 24.511 -1.988 -9.291 1.00 0.00 C ATOM 1143 O PRO A 72 23.351 -1.589 -9.148 1.00 0.00 O ATOM 1144 CB PRO A 72 26.149 -2.075 -7.387 1.00 0.00 C ATOM 1145 CG PRO A 72 26.521 -1.043 -6.383 1.00 0.00 C ATOM 1146 CD PRO A 72 25.547 0.079 -6.582 1.00 0.00 C ATOM 0 HA PRO A 72 26.433 -1.154 -9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.364 -2.731 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 72 27.000 -2.708 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 72 26.460 -1.441 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 72 27.546 -0.704 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.644 -0.060 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 72 25.973 1.040 -6.294 1.00 0.00 H new ATOM 1154 N ALA A 73 24.815 -3.044 -10.029 1.00 0.00 N ATOM 1155 CA ALA A 73 23.789 -3.775 -10.755 1.00 0.00 C ATOM 1156 C ALA A 73 22.743 -4.315 -9.796 1.00 0.00 C ATOM 1157 O ALA A 73 21.538 -4.167 -10.013 1.00 0.00 O ATOM 1158 CB ALA A 73 24.412 -4.913 -11.548 1.00 0.00 C ATOM 0 H ALA A 73 25.759 -3.413 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 73 23.303 -3.090 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 73 23.632 -5.451 -12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.132 -4.509 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 73 24.920 -5.596 -10.867 1.00 0.00 H new ATOM 1164 N TRP A 74 23.217 -4.937 -8.730 1.00 0.00 N ATOM 1165 CA TRP A 74 22.354 -5.551 -7.739 1.00 0.00 C ATOM 1166 C TRP A 74 21.828 -4.542 -6.718 1.00 0.00 C ATOM 1167 O TRP A 74 20.715 -4.694 -6.216 1.00 0.00 O ATOM 1168 CB TRP A 74 23.144 -6.639 -7.007 1.00 0.00 C ATOM 1169 CG TRP A 74 24.423 -6.118 -6.424 1.00 0.00 C ATOM 1170 CD1 TRP A 74 25.602 -5.917 -7.082 1.00 0.00 C ATOM 1171 CD2 TRP A 74 24.645 -5.716 -5.068 1.00 0.00 C ATOM 1172 NE1 TRP A 74 26.534 -5.396 -6.226 1.00 0.00 N ATOM 1173 CE2 TRP A 74 25.973 -5.271 -4.985 1.00 0.00 C ATOM 1174 CE3 TRP A 74 23.849 -5.682 -3.916 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 26.524 -4.800 -3.804 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 24.400 -5.218 -2.740 1.00 0.00 C ATOM 1177 CH2 TRP A 74 25.726 -4.779 -2.691 1.00 0.00 C ATOM 0 H TRP A 74 24.213 -5.030 -8.528 1.00 0.00 H new ATOM 0 HA TRP A 74 21.492 -5.970 -8.259 1.00 0.00 H new ATOM 0 HB2 TRP A 74 22.529 -7.058 -6.211 1.00 0.00 H new ATOM 0 HB3 TRP A 74 23.367 -7.451 -7.699 1.00 0.00 H new ATOM 0 HD1 TRP A 74 25.774 -6.137 -8.125 1.00 0.00 H new ATOM 0 HE1 TRP A 74 27.491 -5.142 -6.473 1.00 0.00 H new ATOM 0 HE3 TRP A 74 22.822 -6.013 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 27.549 -4.461 -3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 23.798 -5.193 -1.844 1.00 0.00 H new ATOM 0 HH2 TRP A 74 26.129 -4.416 -1.757 1.00 0.00 H new ATOM 1188 N MET A 75 22.627 -3.528 -6.389 1.00 0.00 N ATOM 1189 CA MET A 75 22.293 -2.643 -5.277 1.00 0.00 C ATOM 1190 C MET A 75 21.559 -1.391 -5.729 1.00 0.00 C ATOM 1191 O MET A 75 22.124 -0.546 -6.409 1.00 0.00 O ATOM 1192 CB MET A 75 23.556 -2.217 -4.537 1.00 0.00 C ATOM 1193 CG MET A 75 23.275 -1.691 -3.141 1.00 0.00 C ATOM 1194 SD MET A 75 24.520 -0.519 -2.562 1.00 0.00 S ATOM 1195 CE MET A 75 26.019 -1.490 -2.676 1.00 0.00 C ATOM 0 H MET A 75 23.498 -3.302 -6.869 1.00 0.00 H new ATOM 0 HA MET A 75 21.635 -3.212 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 75 24.235 -3.067 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 75 24.066 -1.446 -5.114 1.00 0.00 H new ATOM 0 HG2 MET A 75 22.298 -1.208 -3.131 1.00 0.00 H new ATOM 0 HG3 MET A 75 23.223 -2.530 -2.447 1.00 0.00 H new ATOM 0 HE1 MET A 75 26.879 -0.824 -2.753 1.00 0.00 H new ATOM 0 HE2 MET A 75 26.119 -2.110 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 75 25.973 -2.127 -3.559 1.00 0.00 H new ATOM 1205 N PRO A 76 20.280 -1.279 -5.358 1.00 0.00 N ATOM 1206 CA PRO A 76 19.491 -0.049 -5.518 1.00 0.00 C ATOM 1207 C PRO A 76 19.998 1.096 -4.660 1.00 0.00 C ATOM 1208 O PRO A 76 20.583 2.047 -5.142 1.00 0.00 O ATOM 1209 CB PRO A 76 18.116 -0.448 -5.013 1.00 0.00 C ATOM 1210 CG PRO A 76 18.084 -1.924 -5.151 1.00 0.00 C ATOM 1211 CD PRO A 76 19.470 -2.371 -4.816 1.00 0.00 C ATOM 0 HA PRO A 76 19.527 0.304 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.970 -0.143 -3.977 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.326 0.023 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 76 17.352 -2.368 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 76 17.807 -2.220 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 76 19.612 -2.490 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.713 -3.328 -5.278 1.00 0.00 H new ATOM 1219 N GLU A 77 19.766 0.983 -3.374 1.00 0.00 N ATOM 1220 CA GLU A 77 20.149 2.006 -2.424 1.00 0.00 C ATOM 1221 C GLU A 77 20.771 1.315 -1.235 1.00 0.00 C ATOM 1222 O GLU A 77 21.988 1.242 -1.087 1.00 0.00 O ATOM 1223 CB GLU A 77 18.933 2.807 -1.965 1.00 0.00 C ATOM 1224 CG GLU A 77 18.500 3.863 -2.950 1.00 0.00 C ATOM 1225 CD GLU A 77 19.389 5.084 -2.897 1.00 0.00 C ATOM 1226 OE1 GLU A 77 20.586 4.973 -3.223 1.00 0.00 O ATOM 1227 OE2 GLU A 77 18.892 6.161 -2.508 1.00 0.00 O ATOM 0 H GLU A 77 19.305 0.177 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 77 20.850 2.697 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 77 18.103 2.123 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 77 19.161 3.283 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.515 3.447 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 77 17.471 4.154 -2.740 1.00 0.00 H new ATOM 1234 N LYS A 78 19.879 0.822 -0.399 1.00 0.00 N ATOM 1235 CA LYS A 78 20.152 -0.122 0.670 1.00 0.00 C ATOM 1236 C LYS A 78 18.779 -0.706 0.935 1.00 0.00 C ATOM 1237 O LYS A 78 17.876 0.030 1.330 1.00 0.00 O ATOM 1238 CB LYS A 78 20.752 0.528 1.931 1.00 0.00 C ATOM 1239 CG LYS A 78 20.119 1.851 2.331 1.00 0.00 C ATOM 1240 CD LYS A 78 20.712 2.994 1.532 1.00 0.00 C ATOM 1241 CE LYS A 78 22.143 3.282 1.960 1.00 0.00 C ATOM 1242 NZ LYS A 78 22.673 4.534 1.357 1.00 0.00 N ATOM 0 H LYS A 78 18.894 1.081 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 78 20.907 -0.858 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.656 -0.170 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 78 21.818 0.686 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.042 1.808 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.274 2.026 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.690 2.748 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.103 3.888 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.186 3.358 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.781 2.446 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.650 4.687 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.658 4.453 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 22.082 5.338 1.650 1.00 0.00 H new ATOM 1256 N ILE A 79 18.557 -1.978 0.699 1.00 0.00 N ATOM 1257 CA ILE A 79 17.201 -2.320 0.324 1.00 0.00 C ATOM 1258 C ILE A 79 16.431 -3.276 1.167 1.00 0.00 C ATOM 1259 O ILE A 79 16.780 -4.441 1.371 1.00 0.00 O ATOM 1260 CB ILE A 79 17.091 -2.764 -1.116 1.00 0.00 C ATOM 1261 CG1 ILE A 79 17.882 -4.052 -1.419 1.00 0.00 C ATOM 1262 CG2 ILE A 79 17.557 -1.619 -1.967 1.00 0.00 C ATOM 1263 CD1 ILE A 79 19.382 -3.868 -1.478 1.00 0.00 C ATOM 0 H ILE A 79 19.233 -2.740 0.752 1.00 0.00 H new ATOM 0 HA ILE A 79 16.723 -1.356 0.500 1.00 0.00 H new ATOM 0 HB ILE A 79 16.054 -3.020 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.650 -4.794 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 79 17.541 -4.457 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.494 -1.898 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.926 -0.749 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.590 -1.377 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 79 19.858 -4.824 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 79 19.630 -3.152 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 79 19.741 -3.495 -0.519 1.00 0.00 H new ATOM 1275 N SER A 80 15.381 -2.689 1.681 1.00 0.00 N ATOM 1276 CA SER A 80 14.225 -3.393 2.176 1.00 0.00 C ATOM 1277 C SER A 80 13.096 -2.394 2.436 1.00 0.00 C ATOM 1278 O SER A 80 13.017 -1.855 3.543 1.00 0.00 O ATOM 1279 CB SER A 80 14.596 -4.127 3.430 1.00 0.00 C ATOM 1280 OG SER A 80 13.584 -5.033 3.834 1.00 0.00 O ATOM 0 H SER A 80 15.304 -1.676 1.770 1.00 0.00 H new ATOM 0 HA SER A 80 13.879 -4.118 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.527 -4.671 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.780 -3.409 4.229 1.00 0.00 H new ATOM 0 HG SER A 80 13.864 -5.492 4.653 1.00 0.00 H new ATOM 1286 N LYS A 81 12.251 -2.085 1.472 1.00 0.00 N ATOM 1287 CA LYS A 81 11.087 -1.245 1.786 1.00 0.00 C ATOM 1288 C LYS A 81 9.794 -1.934 1.428 1.00 0.00 C ATOM 1289 O LYS A 81 9.762 -2.795 0.554 1.00 0.00 O ATOM 1290 CB LYS A 81 11.092 0.067 1.001 1.00 0.00 C ATOM 1291 CG LYS A 81 12.408 0.787 0.936 1.00 0.00 C ATOM 1292 CD LYS A 81 12.545 1.840 1.993 1.00 0.00 C ATOM 1293 CE LYS A 81 13.602 2.840 1.573 1.00 0.00 C ATOM 1294 NZ LYS A 81 13.821 3.886 2.604 1.00 0.00 N ATOM 0 H LYS A 81 12.331 -2.383 0.500 1.00 0.00 H new ATOM 0 HA LYS A 81 11.156 -1.056 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.762 -0.140 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.355 0.736 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.218 0.065 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.517 1.248 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.591 2.345 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.819 1.383 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.539 2.318 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.303 3.311 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.552 4.549 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.933 4.403 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.131 3.440 3.491 1.00 0.00 H new ATOM 1308 N PRO A 82 8.712 -1.530 2.094 1.00 0.00 N ATOM 1309 CA PRO A 82 7.358 -1.933 1.738 1.00 0.00 C ATOM 1310 C PRO A 82 6.862 -1.184 0.518 1.00 0.00 C ATOM 1311 O PRO A 82 6.842 0.050 0.496 1.00 0.00 O ATOM 1312 CB PRO A 82 6.546 -1.546 2.962 1.00 0.00 C ATOM 1313 CG PRO A 82 7.267 -0.372 3.505 1.00 0.00 C ATOM 1314 CD PRO A 82 8.727 -0.644 3.264 1.00 0.00 C ATOM 0 HA PRO A 82 7.288 -2.991 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.518 -1.298 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.502 -2.359 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.952 0.545 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.063 -0.244 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.281 0.274 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.196 -1.121 4.125 1.00 0.00 H new ATOM 1322 N PHE A 83 6.478 -1.923 -0.497 1.00 0.00 N ATOM 1323 CA PHE A 83 5.958 -1.339 -1.708 1.00 0.00 C ATOM 1324 C PHE A 83 4.596 -1.926 -1.988 1.00 0.00 C ATOM 1325 O PHE A 83 4.310 -3.065 -1.619 1.00 0.00 O ATOM 1326 CB PHE A 83 6.867 -1.629 -2.901 1.00 0.00 C ATOM 1327 CG PHE A 83 8.316 -1.305 -2.676 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.740 -0.011 -2.394 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.257 -2.305 -2.763 1.00 0.00 C ATOM 1330 CE1 PHE A 83 10.084 0.263 -2.200 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.589 -2.043 -2.576 1.00 0.00 C ATOM 1332 CZ PHE A 83 11.011 -0.756 -2.290 1.00 0.00 C ATOM 0 H PHE A 83 6.518 -2.942 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 83 5.899 -0.259 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.780 -2.684 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.510 -1.060 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.015 0.787 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.940 -3.314 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.405 1.270 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.311 -2.842 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.060 -0.550 -2.138 1.00 0.00 H new ATOM 1342 N VAL A 84 3.757 -1.143 -2.607 1.00 0.00 N ATOM 1343 CA VAL A 84 2.471 -1.628 -3.048 1.00 0.00 C ATOM 1344 C VAL A 84 2.345 -1.425 -4.545 1.00 0.00 C ATOM 1345 O VAL A 84 3.096 -0.650 -5.139 1.00 0.00 O ATOM 1346 CB VAL A 84 1.295 -0.934 -2.337 1.00 0.00 C ATOM 1347 CG1 VAL A 84 0.122 -1.878 -2.233 1.00 0.00 C ATOM 1348 CG2 VAL A 84 1.701 -0.424 -0.969 1.00 0.00 C ATOM 0 H VAL A 84 3.938 -0.162 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 84 2.420 -2.687 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 84 0.998 -0.071 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.704 -1.377 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.192 -2.180 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.414 -2.760 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.848 0.061 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.033 -1.260 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.514 0.294 -1.075 1.00 0.00 H new ATOM 1358 N LYS A 85 1.396 -2.108 -5.148 1.00 0.00 N ATOM 1359 CA LYS A 85 1.185 -2.041 -6.574 1.00 0.00 C ATOM 1360 C LYS A 85 -0.295 -2.241 -6.811 1.00 0.00 C ATOM 1361 O LYS A 85 -0.877 -3.163 -6.243 1.00 0.00 O ATOM 1362 CB LYS A 85 2.003 -3.145 -7.272 1.00 0.00 C ATOM 1363 CG LYS A 85 2.133 -3.014 -8.789 1.00 0.00 C ATOM 1364 CD LYS A 85 0.822 -3.270 -9.523 1.00 0.00 C ATOM 1365 CE LYS A 85 0.282 -4.675 -9.277 1.00 0.00 C ATOM 1366 NZ LYS A 85 1.088 -5.714 -9.975 1.00 0.00 N ATOM 0 H LYS A 85 0.748 -2.727 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 85 1.508 -1.082 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.004 -3.159 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.545 -4.108 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.490 -2.013 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.886 -3.717 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.081 -2.538 -9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.973 -3.124 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.277 -4.879 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.752 -4.730 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.686 -6.653 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.072 -5.536 -10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.070 -5.680 -9.633 1.00 0.00 H new ATOM 1380 N LYS A 86 -0.916 -1.408 -7.630 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.340 -1.516 -7.849 1.00 0.00 C ATOM 1382 C LYS A 86 -2.618 -2.729 -8.699 1.00 0.00 C ATOM 1383 O LYS A 86 -2.257 -2.795 -9.874 1.00 0.00 O ATOM 1384 CB LYS A 86 -2.862 -0.237 -8.493 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.358 -0.227 -8.701 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.869 1.183 -8.921 1.00 0.00 C ATOM 1387 CE LYS A 86 -6.334 1.188 -9.312 1.00 0.00 C ATOM 1388 NZ LYS A 86 -6.551 0.555 -10.642 1.00 0.00 N ATOM 0 H LYS A 86 -0.458 -0.658 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.861 -1.640 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.586 0.612 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.370 -0.099 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.613 -0.848 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.852 -0.665 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.732 1.767 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.281 1.667 -9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.914 0.657 -8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.702 2.214 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.433 0.916 -11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.753 0.782 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.619 -0.477 -10.529 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.275 -3.678 -8.084 1.00 0.00 N ATOM 1403 CA GLU A 87 -3.437 -4.985 -8.668 1.00 0.00 C ATOM 1404 C GLU A 87 -4.791 -5.080 -9.349 1.00 0.00 C ATOM 1405 O GLU A 87 -4.891 -5.515 -10.497 1.00 0.00 O ATOM 1406 CB GLU A 87 -3.231 -6.050 -7.575 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.261 -7.156 -7.507 1.00 0.00 C ATOM 1408 CD GLU A 87 -4.195 -8.110 -8.688 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -3.074 -8.477 -9.097 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -5.261 -8.507 -9.204 1.00 0.00 O ATOM 0 H GLU A 87 -3.711 -3.568 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.689 -5.162 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.251 -6.505 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.207 -5.547 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.119 -7.720 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.256 -6.714 -7.460 1.00 0.00 H new ATOM 1417 N ARG A 88 -5.822 -4.605 -8.672 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.183 -4.815 -9.151 1.00 0.00 C ATOM 1419 C ARG A 88 -8.125 -3.764 -8.594 1.00 0.00 C ATOM 1420 O ARG A 88 -7.708 -2.825 -7.913 1.00 0.00 O ATOM 1421 CB ARG A 88 -7.620 -6.226 -8.737 1.00 0.00 C ATOM 1422 CG ARG A 88 -8.758 -6.808 -9.552 1.00 0.00 C ATOM 1423 CD ARG A 88 -8.926 -8.290 -9.269 1.00 0.00 C ATOM 1424 NE ARG A 88 -9.218 -8.556 -7.859 1.00 0.00 N ATOM 1425 CZ ARG A 88 -8.390 -9.205 -7.037 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -7.155 -9.498 -7.418 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -8.779 -9.521 -5.809 1.00 0.00 N ATOM 0 H ARG A 88 -5.749 -4.079 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.214 -4.722 -10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.761 -6.893 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.917 -6.205 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.684 -6.282 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.565 -6.656 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.732 -8.686 -9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.016 -8.818 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.107 -8.226 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.830 -9.227 -8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.530 -9.994 -6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.714 -9.268 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.143 -10.017 -5.184 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.395 -3.921 -8.900 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.401 -2.971 -8.506 1.00 0.00 C ATOM 1443 C ILE A 89 -11.560 -3.677 -7.793 1.00 0.00 C ATOM 1444 O ILE A 89 -11.818 -4.861 -8.012 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.874 -2.178 -9.746 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -9.815 -1.143 -10.137 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -12.209 -1.490 -9.501 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -9.578 -0.093 -9.069 1.00 0.00 C ATOM 0 H ILE A 89 -9.755 -4.714 -9.430 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.978 -2.262 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.012 -2.887 -10.562 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.876 -1.656 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.122 -0.650 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.506 -0.944 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.966 -2.238 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.112 -0.795 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.817 0.608 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.506 0.445 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.241 -0.576 -8.152 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.247 -2.923 -6.955 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.226 -3.432 -6.029 1.00 0.00 C ATOM 1462 C GLU A 90 -14.585 -2.816 -6.291 1.00 0.00 C ATOM 1463 O GLU A 90 -14.793 -2.138 -7.300 1.00 0.00 O ATOM 1464 CB GLU A 90 -12.774 -3.170 -4.613 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.363 -4.423 -3.880 1.00 0.00 C ATOM 1466 CD GLU A 90 -13.541 -5.130 -3.236 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -14.663 -4.598 -3.305 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.345 -6.209 -2.640 1.00 0.00 O ATOM 0 H GLU A 90 -12.132 -1.911 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.321 -4.509 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.935 -2.474 -4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.581 -2.684 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.871 -5.103 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.632 -4.168 -3.113 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.499 -3.081 -5.389 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.892 -2.692 -5.534 1.00 0.00 C ATOM 1477 C LYS A 91 -17.059 -1.178 -5.438 1.00 0.00 C ATOM 1478 O LYS A 91 -16.112 -0.444 -5.152 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.752 -3.401 -4.486 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.678 -4.917 -4.595 1.00 0.00 C ATOM 1481 CD LYS A 91 -18.567 -5.616 -3.579 1.00 0.00 C ATOM 1482 CE LYS A 91 -18.062 -5.431 -2.159 1.00 0.00 C ATOM 1483 NZ LYS A 91 -18.821 -6.272 -1.195 1.00 0.00 N ATOM 0 H LYS A 91 -15.300 -3.579 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.227 -2.997 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.430 -3.096 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.789 -3.083 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.971 -5.221 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.646 -5.239 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.582 -5.226 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.615 -6.680 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.004 -5.688 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.149 -4.382 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.450 -6.121 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.827 -6.010 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.717 -7.274 -1.452 1.00 0.00 H new