USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 803 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 79 THR OG1 : rot 71:sc= -0.355 USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= 0.726 F(o=-4.8,f=0.37) USER MOD Set 2.1: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 MET CE :methyl -125:sc= -0.0681 (180deg=-1.48) USER MOD Set 3.1: A 17 ASN : amide:sc= -1.22 K(o=0.08,f=-1.5) USER MOD Set 3.2: A 20 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 1 LEU N :NH3+ -133:sc= -4.02! (180deg=-7.04!) USER MOD Single : A 2 LYS NZ :NH3+ -148:sc= -0.166 (180deg=-0.789) USER MOD Single : A 14 ASN :FLIP amide:sc= -2.72! C(o=-6!,f=-2.7!) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.132 (180deg=-0.923) USER MOD Single : A 25 HIS : no HD1:sc= -10.6! C(o=-11!,f=-18!) USER MOD Single : A 28 ASN :FLIP amide:sc= -1.62 F(o=-4.5!,f=-1.6) USER MOD Single : A 29 SER OG : rot -67:sc= 1.06 USER MOD Single : A 36 GLN :FLIP amide:sc= -6.96! C(o=-8.3!,f=-7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.0876 F(o=-0.88,f=-0.088) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.106 (180deg=-1.33) USER MOD Single : A 72 HIS : no HE2:sc= 0.0574 K(o=0.057,f=-3.9!) USER MOD Single : A 74 MET CE :methyl 163:sc= -0.0977 (180deg=-0.755) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.0187 (180deg=-0.601) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.75! C(o=-14!,f=-2.7!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.329 F(o=-2.8!,f=-0.33) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -53:sc= 0.579 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 32.547 9.966 4.868 1.00 0.00 N ATOM 2 CA LEU A 1 31.119 10.046 5.287 1.00 0.00 C ATOM 3 C LEU A 1 30.320 8.952 4.574 1.00 0.00 C ATOM 4 O LEU A 1 30.025 9.052 3.400 1.00 0.00 O ATOM 5 CB LEU A 1 30.553 11.423 4.916 1.00 0.00 C ATOM 6 CG LEU A 1 31.009 12.465 5.942 1.00 0.00 C ATOM 7 CD1 LEU A 1 32.536 12.464 6.037 1.00 0.00 C ATOM 8 CD2 LEU A 1 30.524 13.850 5.505 1.00 0.00 C ATOM 0 H1 LEU A 1 33.158 10.016 5.708 1.00 0.00 H new ATOM 0 H2 LEU A 1 32.713 9.068 4.371 1.00 0.00 H new ATOM 0 H3 LEU A 1 32.767 10.759 4.232 1.00 0.00 H new ATOM 0 HA LEU A 1 31.046 9.905 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 1 30.890 11.709 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 1 29.464 11.382 4.885 1.00 0.00 H new ATOM 0 HG LEU A 1 30.590 12.221 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 1 32.856 13.207 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 1 32.881 11.478 6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 1 32.961 12.707 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 1 30.846 14.595 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 1 30.944 14.091 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 1 29.436 13.851 5.442 1.00 0.00 H new ATOM 20 N LYS A 2 29.969 7.909 5.274 1.00 0.00 N ATOM 21 CA LYS A 2 29.190 6.811 4.634 1.00 0.00 C ATOM 22 C LYS A 2 27.831 7.349 4.180 1.00 0.00 C ATOM 23 O LYS A 2 27.160 6.753 3.361 1.00 0.00 O ATOM 24 CB LYS A 2 28.979 5.681 5.643 1.00 0.00 C ATOM 25 CG LYS A 2 28.326 4.487 4.943 1.00 0.00 C ATOM 26 CD LYS A 2 28.279 3.295 5.901 1.00 0.00 C ATOM 27 CE LYS A 2 27.692 2.082 5.177 1.00 0.00 C ATOM 28 NZ LYS A 2 26.379 2.451 4.576 1.00 0.00 N ATOM 0 H LYS A 2 30.187 7.769 6.260 1.00 0.00 H new ATOM 0 HA LYS A 2 29.738 6.431 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.934 5.384 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 2 28.349 6.025 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 2 27.318 4.748 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.889 4.225 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 2 29.281 3.066 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 2 27.673 3.540 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 2 28.377 1.742 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.565 1.254 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.752 1.621 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.943 3.212 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.524 2.777 3.599 1.00 0.00 H new ATOM 42 N GLU A 3 27.421 8.470 4.706 1.00 0.00 N ATOM 43 CA GLU A 3 26.106 9.044 4.305 1.00 0.00 C ATOM 44 C GLU A 3 26.064 9.212 2.784 1.00 0.00 C ATOM 45 O GLU A 3 26.983 9.729 2.181 1.00 0.00 O ATOM 46 CB GLU A 3 25.920 10.407 4.973 1.00 0.00 C ATOM 47 CG GLU A 3 24.510 10.929 4.685 1.00 0.00 C ATOM 48 CD GLU A 3 24.278 12.229 5.457 1.00 0.00 C ATOM 49 OE1 GLU A 3 24.491 12.228 6.658 1.00 0.00 O ATOM 50 OE2 GLU A 3 23.889 13.203 4.833 1.00 0.00 O ATOM 0 H GLU A 3 27.940 9.013 5.396 1.00 0.00 H new ATOM 0 HA GLU A 3 25.306 8.373 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 3 26.075 10.321 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.663 11.111 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.386 11.102 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.769 10.184 4.975 1.00 0.00 H new ATOM 57 N VAL A 4 25.003 8.778 2.161 1.00 0.00 N ATOM 58 CA VAL A 4 24.901 8.913 0.681 1.00 0.00 C ATOM 59 C VAL A 4 25.007 10.389 0.294 1.00 0.00 C ATOM 60 O VAL A 4 24.334 11.236 0.848 1.00 0.00 O ATOM 61 CB VAL A 4 23.556 8.359 0.209 1.00 0.00 C ATOM 62 CG1 VAL A 4 23.513 8.353 -1.321 1.00 0.00 C ATOM 63 CG2 VAL A 4 23.382 6.931 0.728 1.00 0.00 C ATOM 0 H VAL A 4 24.203 8.336 2.613 1.00 0.00 H new ATOM 0 HA VAL A 4 25.710 8.355 0.210 1.00 0.00 H new ATOM 0 HB VAL A 4 22.752 8.987 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 4 22.554 7.958 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 4 23.636 9.370 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 4 24.318 7.726 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 4 22.423 6.536 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 4 24.187 6.304 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 4 23.411 6.934 1.818 1.00 0.00 H new ATOM 73 N TRP A 5 25.844 10.704 -0.655 1.00 0.00 N ATOM 74 CA TRP A 5 25.990 12.125 -1.078 1.00 0.00 C ATOM 75 C TRP A 5 24.651 12.637 -1.612 1.00 0.00 C ATOM 76 O TRP A 5 24.192 12.226 -2.659 1.00 0.00 O ATOM 77 CB TRP A 5 27.049 12.225 -2.176 1.00 0.00 C ATOM 78 CG TRP A 5 28.304 11.557 -1.717 1.00 0.00 C ATOM 79 CD1 TRP A 5 28.758 10.364 -2.164 1.00 0.00 C ATOM 80 CD2 TRP A 5 29.271 12.020 -0.732 1.00 0.00 C ATOM 81 NE1 TRP A 5 29.942 10.064 -1.516 1.00 0.00 N ATOM 82 CE2 TRP A 5 30.301 11.056 -0.622 1.00 0.00 C ATOM 83 CE3 TRP A 5 29.353 13.173 0.070 1.00 0.00 C ATOM 84 CZ2 TRP A 5 31.376 11.231 0.253 1.00 0.00 C ATOM 85 CZ3 TRP A 5 30.433 13.352 0.950 1.00 0.00 C ATOM 86 CH2 TRP A 5 31.442 12.382 1.042 1.00 0.00 C ATOM 0 H TRP A 5 26.433 10.039 -1.156 1.00 0.00 H new ATOM 0 HA TRP A 5 26.296 12.729 -0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 5 26.687 11.754 -3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 5 27.246 13.271 -2.412 1.00 0.00 H new ATOM 0 HD1 TRP A 5 28.274 9.746 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 5 30.484 9.215 -1.678 1.00 0.00 H new ATOM 0 HE3 TRP A 5 28.581 13.925 0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 32.151 10.482 0.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 30.487 14.242 1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 5 32.269 12.525 1.722 1.00 0.00 H new ATOM 97 N GLU A 6 24.021 13.532 -0.901 1.00 0.00 N ATOM 98 CA GLU A 6 22.713 14.068 -1.372 1.00 0.00 C ATOM 99 C GLU A 6 22.894 14.700 -2.754 1.00 0.00 C ATOM 100 O GLU A 6 23.958 14.645 -3.338 1.00 0.00 O ATOM 101 CB GLU A 6 22.212 15.128 -0.389 1.00 0.00 C ATOM 102 CG GLU A 6 22.059 14.506 1.001 1.00 0.00 C ATOM 103 CD GLU A 6 21.579 15.572 1.987 1.00 0.00 C ATOM 104 OE1 GLU A 6 22.269 16.567 2.136 1.00 0.00 O ATOM 105 OE2 GLU A 6 20.529 15.375 2.577 1.00 0.00 O ATOM 0 H GLU A 6 24.355 13.914 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 6 21.987 13.258 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 6 22.912 15.963 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 6 21.256 15.529 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 6 21.347 13.681 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 6 23.011 14.091 1.332 1.00 0.00 H new ATOM 112 N GLU A 7 21.863 15.302 -3.281 1.00 0.00 N ATOM 113 CA GLU A 7 21.981 15.938 -4.623 1.00 0.00 C ATOM 114 C GLU A 7 20.748 16.805 -4.885 1.00 0.00 C ATOM 115 O GLU A 7 19.897 16.463 -5.683 1.00 0.00 O ATOM 116 CB GLU A 7 22.084 14.850 -5.696 1.00 0.00 C ATOM 117 CG GLU A 7 22.374 15.491 -7.056 1.00 0.00 C ATOM 118 CD GLU A 7 22.367 14.412 -8.141 1.00 0.00 C ATOM 119 OE1 GLU A 7 23.039 13.411 -7.957 1.00 0.00 O ATOM 120 OE2 GLU A 7 21.687 14.605 -9.136 1.00 0.00 O ATOM 0 H GLU A 7 20.946 15.381 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 7 22.875 16.561 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.876 14.146 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.155 14.282 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.625 16.251 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.341 15.994 -7.034 1.00 0.00 H new ATOM 127 N LEU A 8 20.652 17.929 -4.220 1.00 0.00 N ATOM 128 CA LEU A 8 19.477 18.844 -4.420 1.00 0.00 C ATOM 129 C LEU A 8 19.942 20.105 -5.148 1.00 0.00 C ATOM 130 O LEU A 8 19.951 21.186 -4.595 1.00 0.00 O ATOM 131 CB LEU A 8 18.884 19.244 -3.055 1.00 0.00 C ATOM 132 CG LEU A 8 17.504 19.921 -3.256 1.00 0.00 C ATOM 133 CD1 LEU A 8 16.388 18.861 -3.305 1.00 0.00 C ATOM 134 CD2 LEU A 8 17.212 20.884 -2.091 1.00 0.00 C ATOM 0 H LEU A 8 21.340 18.257 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 8 18.717 18.329 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.777 18.362 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 8 19.561 19.925 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 8 17.531 20.471 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.425 19.352 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.572 18.177 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.376 18.302 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.240 21.354 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.204 20.329 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.984 21.652 -2.052 1.00 0.00 H new ATOM 146 N ASP A 9 20.330 19.976 -6.389 1.00 0.00 N ATOM 147 CA ASP A 9 20.794 21.169 -7.154 1.00 0.00 C ATOM 148 C ASP A 9 19.581 21.915 -7.711 1.00 0.00 C ATOM 149 O ASP A 9 19.633 23.100 -7.973 1.00 0.00 O ATOM 150 CB ASP A 9 21.687 20.716 -8.309 1.00 0.00 C ATOM 151 CG ASP A 9 20.926 19.715 -9.181 1.00 0.00 C ATOM 152 OD1 ASP A 9 19.898 20.092 -9.720 1.00 0.00 O ATOM 153 OD2 ASP A 9 21.383 18.589 -9.294 1.00 0.00 O ATOM 0 H ASP A 9 20.346 19.096 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 9 21.358 21.829 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 9 21.992 21.576 -8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.597 20.258 -7.921 1.00 0.00 H new ATOM 158 N GLY A 10 18.488 21.227 -7.891 1.00 0.00 N ATOM 159 CA GLY A 10 17.267 21.887 -8.430 1.00 0.00 C ATOM 160 C GLY A 10 16.070 20.952 -8.258 1.00 0.00 C ATOM 161 O GLY A 10 14.971 21.381 -7.967 1.00 0.00 O ATOM 0 H GLY A 10 18.388 20.233 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.087 22.827 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.406 22.129 -9.484 1.00 0.00 H new ATOM 165 N LEU A 11 16.275 19.674 -8.432 1.00 0.00 N ATOM 166 CA LEU A 11 15.141 18.708 -8.276 1.00 0.00 C ATOM 167 C LEU A 11 14.417 19.000 -6.960 1.00 0.00 C ATOM 168 O LEU A 11 15.009 18.988 -5.900 1.00 0.00 O ATOM 169 CB LEU A 11 15.670 17.260 -8.266 1.00 0.00 C ATOM 170 CG LEU A 11 14.517 16.270 -8.033 1.00 0.00 C ATOM 171 CD1 LEU A 11 13.433 16.451 -9.111 1.00 0.00 C ATOM 172 CD2 LEU A 11 15.071 14.840 -8.102 1.00 0.00 C ATOM 0 H LEU A 11 17.173 19.255 -8.674 1.00 0.00 H new ATOM 0 HA LEU A 11 14.452 18.822 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.162 17.039 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.420 17.145 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 11 14.073 16.455 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.622 15.744 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.043 17.468 -9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.865 16.269 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.262 14.128 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.513 14.668 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.832 14.707 -7.333 1.00 0.00 H new ATOM 184 N ASP A 12 13.142 19.264 -7.019 1.00 0.00 N ATOM 185 CA ASP A 12 12.386 19.560 -5.769 1.00 0.00 C ATOM 186 C ASP A 12 12.125 18.240 -5.013 1.00 0.00 C ATOM 187 O ASP A 12 12.005 17.207 -5.640 1.00 0.00 O ATOM 188 CB ASP A 12 11.050 20.211 -6.136 1.00 0.00 C ATOM 189 CG ASP A 12 11.285 21.665 -6.553 1.00 0.00 C ATOM 190 OD1 ASP A 12 12.262 21.912 -7.241 1.00 0.00 O ATOM 191 OD2 ASP A 12 10.485 22.505 -6.176 1.00 0.00 O ATOM 0 H ASP A 12 12.591 19.288 -7.877 1.00 0.00 H new ATOM 0 HA ASP A 12 12.961 20.236 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.577 19.661 -6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.369 20.171 -5.286 1.00 0.00 H new ATOM 196 N PRO A 13 12.034 18.291 -3.692 1.00 0.00 N ATOM 197 CA PRO A 13 11.778 17.071 -2.899 1.00 0.00 C ATOM 198 C PRO A 13 10.423 16.463 -3.289 1.00 0.00 C ATOM 199 O PRO A 13 10.150 15.310 -3.020 1.00 0.00 O ATOM 200 CB PRO A 13 11.771 17.547 -1.425 1.00 0.00 C ATOM 201 CG PRO A 13 11.867 19.099 -1.440 1.00 0.00 C ATOM 202 CD PRO A 13 12.177 19.528 -2.891 1.00 0.00 C ATOM 0 HA PRO A 13 12.527 16.297 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.860 17.223 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.609 17.115 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.933 19.545 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.649 19.442 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.487 20.301 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.183 19.939 -2.975 1.00 0.00 H new ATOM 210 N ASN A 14 9.568 17.228 -3.914 1.00 0.00 N ATOM 211 CA ASN A 14 8.237 16.687 -4.308 1.00 0.00 C ATOM 212 C ASN A 14 8.394 15.759 -5.513 1.00 0.00 C ATOM 213 O ASN A 14 7.887 16.025 -6.584 1.00 0.00 O ATOM 214 CB ASN A 14 7.306 17.845 -4.674 1.00 0.00 C ATOM 215 CG ASN A 14 5.897 17.307 -4.926 1.00 0.00 C ATOM 216 OD1 ASN A 14 4.917 17.692 -4.154 1.00 0.00 O flip ATOM 217 ND2 ASN A 14 5.684 16.528 -5.833 1.00 0.00 N flip ATOM 0 H ASN A 14 9.734 18.202 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 14 7.813 16.127 -3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.288 18.579 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.676 18.356 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.449 16.227 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.740 16.175 -5.991 1.00 0.00 H new ATOM 224 N ARG A 15 9.094 14.667 -5.345 1.00 0.00 N ATOM 225 CA ARG A 15 9.290 13.711 -6.478 1.00 0.00 C ATOM 226 C ARG A 15 8.278 12.568 -6.363 1.00 0.00 C ATOM 227 O ARG A 15 8.605 11.478 -5.941 1.00 0.00 O ATOM 228 CB ARG A 15 10.707 13.139 -6.416 1.00 0.00 C ATOM 229 CG ARG A 15 10.977 12.301 -7.673 1.00 0.00 C ATOM 230 CD ARG A 15 12.414 11.727 -7.642 1.00 0.00 C ATOM 231 NE ARG A 15 13.062 11.897 -8.982 1.00 0.00 N ATOM 232 CZ ARG A 15 12.436 11.579 -10.086 1.00 0.00 C ATOM 233 NH1 ARG A 15 11.269 10.998 -10.041 1.00 0.00 N ATOM 234 NH2 ARG A 15 12.998 11.813 -11.240 1.00 0.00 N ATOM 0 H ARG A 15 9.540 14.394 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 15 9.144 14.232 -7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.434 13.948 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.823 12.524 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.255 11.487 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.844 12.916 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.001 12.236 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.387 10.671 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 15 14.011 12.268 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.838 10.788 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.787 10.753 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.922 12.242 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.513 11.566 -12.103 1.00 0.00 H new ATOM 248 N PHE A 16 7.050 12.807 -6.738 1.00 0.00 N ATOM 249 CA PHE A 16 6.024 11.729 -6.650 1.00 0.00 C ATOM 250 C PHE A 16 6.477 10.530 -7.486 1.00 0.00 C ATOM 251 O PHE A 16 7.101 10.682 -8.517 1.00 0.00 O ATOM 252 CB PHE A 16 4.686 12.249 -7.187 1.00 0.00 C ATOM 253 CG PHE A 16 4.051 13.166 -6.167 1.00 0.00 C ATOM 254 CD1 PHE A 16 3.572 12.643 -4.960 1.00 0.00 C ATOM 255 CD2 PHE A 16 3.938 14.539 -6.427 1.00 0.00 C ATOM 256 CE1 PHE A 16 2.981 13.490 -4.013 1.00 0.00 C ATOM 257 CE2 PHE A 16 3.348 15.385 -5.480 1.00 0.00 C ATOM 258 CZ PHE A 16 2.869 14.861 -4.273 1.00 0.00 C ATOM 0 H PHE A 16 6.714 13.699 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 16 5.903 11.426 -5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.842 12.784 -8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.020 11.413 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.658 11.585 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.306 14.944 -7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.612 13.085 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.262 16.443 -5.681 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.414 15.514 -3.543 1.00 0.00 H new ATOM 268 N ASN A 17 6.167 9.339 -7.050 1.00 0.00 N ATOM 269 CA ASN A 17 6.582 8.132 -7.822 1.00 0.00 C ATOM 270 C ASN A 17 5.922 6.880 -7.220 1.00 0.00 C ATOM 271 O ASN A 17 6.604 6.049 -6.655 1.00 0.00 O ATOM 272 CB ASN A 17 8.104 7.984 -7.746 1.00 0.00 C ATOM 273 CG ASN A 17 8.547 6.799 -8.606 1.00 0.00 C ATOM 274 OD1 ASN A 17 9.517 6.138 -8.294 1.00 0.00 O ATOM 275 ND2 ASN A 17 7.872 6.500 -9.682 1.00 0.00 N ATOM 0 H ASN A 17 5.645 9.149 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 17 6.271 8.242 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.586 8.898 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.414 7.832 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.159 5.711 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.057 7.055 -9.944 1.00 0.00 H new ATOM 282 N PRO A 18 4.615 6.776 -7.349 1.00 0.00 N ATOM 283 CA PRO A 18 3.879 5.618 -6.804 1.00 0.00 C ATOM 284 C PRO A 18 4.325 4.331 -7.520 1.00 0.00 C ATOM 285 O PRO A 18 4.157 3.238 -7.017 1.00 0.00 O ATOM 286 CB PRO A 18 2.386 5.932 -7.073 1.00 0.00 C ATOM 287 CG PRO A 18 2.325 7.282 -7.850 1.00 0.00 C ATOM 288 CD PRO A 18 3.775 7.784 -8.032 1.00 0.00 C ATOM 0 HA PRO A 18 4.064 5.459 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.925 5.134 -7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.834 6.004 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.843 7.145 -8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.733 8.014 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.035 7.866 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.909 8.773 -7.593 1.00 0.00 H new ATOM 296 N LYS A 19 4.881 4.462 -8.693 1.00 0.00 N ATOM 297 CA LYS A 19 5.331 3.265 -9.458 1.00 0.00 C ATOM 298 C LYS A 19 6.303 2.409 -8.628 1.00 0.00 C ATOM 299 O LYS A 19 6.268 1.194 -8.692 1.00 0.00 O ATOM 300 CB LYS A 19 6.039 3.731 -10.732 1.00 0.00 C ATOM 301 CG LYS A 19 6.506 2.514 -11.533 1.00 0.00 C ATOM 302 CD LYS A 19 6.963 2.962 -12.923 1.00 0.00 C ATOM 303 CE LYS A 19 7.296 1.733 -13.771 1.00 0.00 C ATOM 304 NZ LYS A 19 6.085 0.874 -13.897 1.00 0.00 N ATOM 0 H LYS A 19 5.044 5.355 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 19 4.459 2.658 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.363 4.338 -11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.892 4.360 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.324 2.015 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.696 1.790 -11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.179 3.547 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.837 3.607 -12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.641 2.041 -14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.108 1.170 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.145 0.316 -14.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.028 0.232 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.236 1.473 -13.925 1.00 0.00 H new ATOM 318 N THR A 20 7.184 3.009 -7.867 1.00 0.00 N ATOM 319 CA THR A 20 8.149 2.194 -7.082 1.00 0.00 C ATOM 320 C THR A 20 7.430 1.472 -5.937 1.00 0.00 C ATOM 321 O THR A 20 7.688 0.315 -5.668 1.00 0.00 O ATOM 322 CB THR A 20 9.251 3.098 -6.525 1.00 0.00 C ATOM 323 OG1 THR A 20 10.023 3.622 -7.596 1.00 0.00 O ATOM 324 CG2 THR A 20 10.147 2.284 -5.600 1.00 0.00 C ATOM 0 H THR A 20 7.273 4.019 -7.758 1.00 0.00 H new ATOM 0 HA THR A 20 8.595 1.445 -7.736 1.00 0.00 H new ATOM 0 HB THR A 20 8.803 3.921 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.633 4.469 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.934 2.923 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.553 1.883 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.596 1.462 -6.158 1.00 0.00 H new ATOM 332 N PHE A 21 6.532 2.132 -5.261 1.00 0.00 N ATOM 333 CA PHE A 21 5.811 1.455 -4.144 1.00 0.00 C ATOM 334 C PHE A 21 5.186 0.169 -4.701 1.00 0.00 C ATOM 335 O PHE A 21 5.265 -0.888 -4.105 1.00 0.00 O ATOM 336 CB PHE A 21 4.730 2.425 -3.583 1.00 0.00 C ATOM 337 CG PHE A 21 3.411 1.717 -3.339 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.491 1.580 -4.386 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.111 1.202 -2.072 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.271 0.929 -4.167 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.892 0.550 -1.852 1.00 0.00 C ATOM 342 CZ PHE A 21 0.972 0.413 -2.900 1.00 0.00 C ATOM 0 H PHE A 21 6.267 3.102 -5.430 1.00 0.00 H new ATOM 0 HA PHE A 21 6.484 1.195 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.085 2.865 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.578 3.245 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.723 1.977 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.820 1.308 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.561 0.825 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.661 0.153 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.032 -0.091 -2.730 1.00 0.00 H new ATOM 352 N PHE A 22 4.575 0.259 -5.846 1.00 0.00 N ATOM 353 CA PHE A 22 3.953 -0.942 -6.458 1.00 0.00 C ATOM 354 C PHE A 22 5.017 -2.032 -6.646 1.00 0.00 C ATOM 355 O PHE A 22 4.741 -3.211 -6.516 1.00 0.00 O ATOM 356 CB PHE A 22 3.352 -0.551 -7.811 1.00 0.00 C ATOM 357 CG PHE A 22 2.404 -1.624 -8.286 1.00 0.00 C ATOM 358 CD1 PHE A 22 2.909 -2.787 -8.876 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.022 -1.450 -8.146 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.031 -3.779 -9.324 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.145 -2.442 -8.595 1.00 0.00 C ATOM 362 CZ PHE A 22 0.650 -3.606 -9.184 1.00 0.00 C ATOM 0 H PHE A 22 4.480 1.119 -6.387 1.00 0.00 H new ATOM 0 HA PHE A 22 3.167 -1.329 -5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.824 0.399 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.147 -0.407 -8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.975 -2.919 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.634 -0.550 -7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.419 -4.679 -9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.921 -2.310 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.027 -4.372 -9.531 1.00 0.00 H new ATOM 372 N ILE A 23 6.240 -1.656 -6.933 1.00 0.00 N ATOM 373 CA ILE A 23 7.295 -2.682 -7.108 1.00 0.00 C ATOM 374 C ILE A 23 7.642 -3.261 -5.738 1.00 0.00 C ATOM 375 O ILE A 23 7.473 -4.435 -5.492 1.00 0.00 O ATOM 376 CB ILE A 23 8.531 -2.034 -7.736 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.195 -1.592 -9.168 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.671 -3.049 -7.765 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.358 -0.788 -9.759 1.00 0.00 C ATOM 0 H ILE A 23 6.544 -0.690 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 23 6.945 -3.480 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 23 8.834 -1.167 -7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.994 -2.465 -9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.288 -0.987 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.554 -2.592 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.902 -3.366 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.372 -3.915 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.109 -0.480 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.539 0.095 -9.146 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.255 -1.406 -9.778 1.00 0.00 H new ATOM 391 N LEU A 24 8.123 -2.448 -4.840 1.00 0.00 N ATOM 392 CA LEU A 24 8.473 -2.970 -3.487 1.00 0.00 C ATOM 393 C LEU A 24 7.349 -3.887 -2.942 1.00 0.00 C ATOM 394 O LEU A 24 7.560 -4.607 -1.985 1.00 0.00 O ATOM 395 CB LEU A 24 8.689 -1.784 -2.527 1.00 0.00 C ATOM 396 CG LEU A 24 9.619 -2.196 -1.362 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.090 -2.053 -1.779 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.362 -1.298 -0.146 1.00 0.00 C ATOM 0 H LEU A 24 8.289 -1.451 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 24 9.387 -3.559 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.124 -0.944 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.730 -1.447 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 24 9.411 -3.235 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.733 -2.346 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.289 -2.695 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.293 -1.016 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.021 -1.594 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.559 -0.260 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.324 -1.401 0.170 1.00 0.00 H new ATOM 410 N HIS A 25 6.166 -3.877 -3.529 1.00 0.00 N ATOM 411 CA HIS A 25 5.058 -4.755 -3.026 1.00 0.00 C ATOM 412 C HIS A 25 4.870 -5.960 -3.960 1.00 0.00 C ATOM 413 O HIS A 25 4.193 -6.910 -3.621 1.00 0.00 O ATOM 414 CB HIS A 25 3.758 -3.948 -2.977 1.00 0.00 C ATOM 415 CG HIS A 25 3.931 -2.777 -2.050 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.136 -2.104 -1.925 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.060 -2.149 -1.194 1.00 0.00 C ATOM 418 CE1 HIS A 25 4.959 -1.120 -1.024 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.712 -1.103 -0.547 1.00 0.00 N ATOM 0 H HIS A 25 5.925 -3.298 -4.333 1.00 0.00 H new ATOM 0 HA HIS A 25 5.313 -5.114 -2.029 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.496 -3.599 -3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.938 -4.579 -2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.026 -2.425 -1.045 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.732 -0.428 -0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.321 -0.462 0.143 1.00 0.00 H new ATOM 427 N ASP A 26 5.461 -5.939 -5.128 1.00 0.00 N ATOM 428 CA ASP A 26 5.303 -7.099 -6.059 1.00 0.00 C ATOM 429 C ASP A 26 6.233 -8.243 -5.615 1.00 0.00 C ATOM 430 O ASP A 26 7.185 -8.596 -6.279 1.00 0.00 O ATOM 431 CB ASP A 26 5.625 -6.655 -7.493 1.00 0.00 C ATOM 432 CG ASP A 26 7.128 -6.407 -7.662 1.00 0.00 C ATOM 433 OD1 ASP A 26 7.830 -6.405 -6.666 1.00 0.00 O ATOM 434 OD2 ASP A 26 7.551 -6.222 -8.792 1.00 0.00 O ATOM 0 H ASP A 26 6.042 -5.176 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 26 4.274 -7.459 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.297 -7.419 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.073 -5.745 -7.729 1.00 0.00 H new ATOM 439 N ILE A 27 5.950 -8.820 -4.479 1.00 0.00 N ATOM 440 CA ILE A 27 6.790 -9.925 -3.947 1.00 0.00 C ATOM 441 C ILE A 27 7.011 -11.009 -5.011 1.00 0.00 C ATOM 442 O ILE A 27 8.130 -11.401 -5.274 1.00 0.00 O ATOM 443 CB ILE A 27 6.077 -10.525 -2.734 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.795 -9.428 -1.701 1.00 0.00 C ATOM 445 CG2 ILE A 27 6.951 -11.592 -2.090 1.00 0.00 C ATOM 446 CD1 ILE A 27 4.903 -9.989 -0.590 1.00 0.00 C ATOM 0 H ILE A 27 5.158 -8.566 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 27 7.767 -9.534 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 27 5.139 -10.970 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.731 -9.061 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.307 -8.579 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.435 -12.013 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.153 -12.382 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.892 -11.146 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.703 -9.209 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.962 -10.334 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.408 -10.824 -0.104 1.00 0.00 H new ATOM 458 N ASN A 28 5.969 -11.507 -5.621 1.00 0.00 N ATOM 459 CA ASN A 28 6.155 -12.578 -6.658 1.00 0.00 C ATOM 460 C ASN A 28 6.351 -11.946 -8.039 1.00 0.00 C ATOM 461 O ASN A 28 6.321 -12.624 -9.045 1.00 0.00 O ATOM 462 CB ASN A 28 4.942 -13.513 -6.687 1.00 0.00 C ATOM 463 CG ASN A 28 5.255 -14.727 -7.566 1.00 0.00 C ATOM 464 OD1 ASN A 28 6.441 -14.847 -8.103 1.00 0.00 O flip ATOM 465 ND2 ASN A 28 4.411 -15.579 -7.767 1.00 0.00 N flip ATOM 0 H ASN A 28 5.003 -11.226 -5.452 1.00 0.00 H new ATOM 0 HA ASN A 28 7.041 -13.158 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.694 -13.837 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.071 -12.985 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.485 -15.488 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.629 -16.385 -8.353 1.00 0.00 H new ATOM 472 N SER A 29 6.579 -10.661 -8.092 1.00 0.00 N ATOM 473 CA SER A 29 6.809 -9.986 -9.406 1.00 0.00 C ATOM 474 C SER A 29 5.836 -10.515 -10.467 1.00 0.00 C ATOM 475 O SER A 29 6.233 -10.907 -11.546 1.00 0.00 O ATOM 476 CB SER A 29 8.244 -10.240 -9.853 1.00 0.00 C ATOM 477 OG SER A 29 8.364 -9.975 -11.244 1.00 0.00 O ATOM 0 H SER A 29 6.616 -10.046 -7.279 1.00 0.00 H new ATOM 0 HA SER A 29 6.639 -8.916 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.928 -9.605 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.523 -11.273 -9.644 1.00 0.00 H new ATOM 0 HG SER A 29 7.845 -10.635 -11.749 1.00 0.00 H new ATOM 483 N ASP A 30 4.562 -10.519 -10.177 1.00 0.00 N ATOM 484 CA ASP A 30 3.565 -11.007 -11.177 1.00 0.00 C ATOM 485 C ASP A 30 3.020 -9.802 -11.942 1.00 0.00 C ATOM 486 O ASP A 30 2.161 -9.922 -12.794 1.00 0.00 O ATOM 487 CB ASP A 30 2.417 -11.714 -10.452 1.00 0.00 C ATOM 488 CG ASP A 30 1.410 -12.239 -11.478 1.00 0.00 C ATOM 489 OD1 ASP A 30 1.831 -12.577 -12.572 1.00 0.00 O ATOM 490 OD2 ASP A 30 0.236 -12.292 -11.151 1.00 0.00 O ATOM 0 H ASP A 30 4.167 -10.205 -9.290 1.00 0.00 H new ATOM 0 HA ASP A 30 4.036 -11.708 -11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.804 -12.538 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.926 -11.024 -9.766 1.00 0.00 H new ATOM 495 N GLY A 31 3.517 -8.638 -11.630 1.00 0.00 N ATOM 496 CA GLY A 31 3.044 -7.404 -12.315 1.00 0.00 C ATOM 497 C GLY A 31 1.652 -7.036 -11.798 1.00 0.00 C ATOM 498 O GLY A 31 1.080 -6.041 -12.199 1.00 0.00 O ATOM 0 H GLY A 31 4.237 -8.488 -10.923 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.740 -6.585 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.013 -7.563 -13.393 1.00 0.00 H new ATOM 502 N VAL A 32 1.111 -7.814 -10.887 1.00 0.00 N ATOM 503 CA VAL A 32 -0.238 -7.490 -10.319 1.00 0.00 C ATOM 504 C VAL A 32 -0.256 -7.871 -8.830 1.00 0.00 C ATOM 505 O VAL A 32 0.549 -8.664 -8.383 1.00 0.00 O ATOM 506 CB VAL A 32 -1.340 -8.261 -11.088 1.00 0.00 C ATOM 507 CG1 VAL A 32 -0.934 -8.422 -12.552 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.573 -9.650 -10.471 1.00 0.00 C ATOM 0 H VAL A 32 1.545 -8.658 -10.513 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.434 -6.423 -10.423 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.265 -7.688 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.713 -8.965 -13.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.801 -7.439 -13.003 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.002 -8.978 -12.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.351 -10.170 -11.029 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.649 -10.227 -10.513 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.884 -9.539 -9.432 1.00 0.00 H new ATOM 518 N LEU A 33 -1.196 -7.358 -8.077 1.00 0.00 N ATOM 519 CA LEU A 33 -1.301 -7.742 -6.617 1.00 0.00 C ATOM 520 C LEU A 33 -2.530 -8.639 -6.454 1.00 0.00 C ATOM 521 O LEU A 33 -3.655 -8.204 -6.596 1.00 0.00 O ATOM 522 CB LEU A 33 -1.445 -6.507 -5.696 1.00 0.00 C ATOM 523 CG LEU A 33 -0.223 -5.582 -5.824 1.00 0.00 C ATOM 524 CD1 LEU A 33 -0.373 -4.424 -4.829 1.00 0.00 C ATOM 525 CD2 LEU A 33 1.070 -6.361 -5.506 1.00 0.00 C ATOM 0 H LEU A 33 -1.898 -6.691 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.386 -8.257 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.350 -5.958 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.554 -6.831 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.164 -5.200 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.488 -3.761 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.283 -3.867 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.431 -4.820 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.928 -5.696 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.021 -6.748 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.176 -7.191 -6.205 1.00 0.00 H new ATOM 537 N ASP A 34 -2.315 -9.898 -6.173 1.00 0.00 N ATOM 538 CA ASP A 34 -3.465 -10.847 -6.015 1.00 0.00 C ATOM 539 C ASP A 34 -3.990 -10.806 -4.571 1.00 0.00 C ATOM 540 O ASP A 34 -3.520 -10.042 -3.751 1.00 0.00 O ATOM 541 CB ASP A 34 -3.012 -12.273 -6.385 1.00 0.00 C ATOM 542 CG ASP A 34 -1.958 -12.196 -7.491 1.00 0.00 C ATOM 543 OD1 ASP A 34 -2.344 -12.136 -8.647 1.00 0.00 O ATOM 544 OD2 ASP A 34 -0.783 -12.198 -7.164 1.00 0.00 O ATOM 0 H ASP A 34 -1.392 -10.314 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.273 -10.549 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.601 -12.775 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.865 -12.863 -6.720 1.00 0.00 H new ATOM 549 N GLU A 35 -4.977 -11.608 -4.265 1.00 0.00 N ATOM 550 CA GLU A 35 -5.558 -11.605 -2.886 1.00 0.00 C ATOM 551 C GLU A 35 -4.613 -12.271 -1.877 1.00 0.00 C ATOM 552 O GLU A 35 -4.433 -11.775 -0.782 1.00 0.00 O ATOM 553 CB GLU A 35 -6.900 -12.339 -2.890 1.00 0.00 C ATOM 554 CG GLU A 35 -7.937 -11.512 -3.653 1.00 0.00 C ATOM 555 CD GLU A 35 -9.295 -12.212 -3.588 1.00 0.00 C ATOM 556 OE1 GLU A 35 -9.540 -13.065 -4.425 1.00 0.00 O ATOM 557 OE2 GLU A 35 -10.068 -11.885 -2.702 1.00 0.00 O ATOM 0 H GLU A 35 -5.408 -12.268 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.702 -10.568 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.788 -13.319 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.236 -12.508 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.010 -10.513 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.628 -11.390 -4.691 1.00 0.00 H new ATOM 564 N GLN A 36 -4.009 -13.376 -2.206 1.00 0.00 N ATOM 565 CA GLN A 36 -3.096 -14.018 -1.222 1.00 0.00 C ATOM 566 C GLN A 36 -1.950 -13.055 -0.921 1.00 0.00 C ATOM 567 O GLN A 36 -1.341 -13.107 0.129 1.00 0.00 O ATOM 568 CB GLN A 36 -2.562 -15.350 -1.778 1.00 0.00 C ATOM 569 CG GLN A 36 -1.722 -15.119 -3.049 1.00 0.00 C ATOM 570 CD GLN A 36 -0.256 -14.830 -2.688 1.00 0.00 C ATOM 571 OE1 GLN A 36 0.087 -14.665 -1.437 1.00 0.00 O flip ATOM 572 NE2 GLN A 36 0.588 -14.757 -3.558 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.105 -13.857 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.636 -14.237 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.955 -15.847 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.396 -16.014 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.777 -15.998 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.133 -14.284 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.325 -14.885 -4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.559 -14.568 -3.311 1.00 0.00 H new ATOM 581 N GLU A 37 -1.661 -12.163 -1.832 1.00 0.00 N ATOM 582 CA GLU A 37 -0.558 -11.179 -1.592 1.00 0.00 C ATOM 583 C GLU A 37 -1.122 -9.968 -0.835 1.00 0.00 C ATOM 584 O GLU A 37 -0.449 -9.352 -0.034 1.00 0.00 O ATOM 585 CB GLU A 37 0.047 -10.728 -2.934 1.00 0.00 C ATOM 586 CG GLU A 37 0.513 -11.954 -3.721 1.00 0.00 C ATOM 587 CD GLU A 37 1.208 -11.500 -5.006 1.00 0.00 C ATOM 588 OE1 GLU A 37 0.737 -10.549 -5.608 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.200 -12.113 -5.367 1.00 0.00 O ATOM 0 H GLU A 37 -2.137 -12.071 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 37 0.226 -11.647 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.693 -10.172 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.886 -10.055 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.196 -12.550 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.338 -12.591 -3.961 1.00 0.00 H new ATOM 596 N LEU A 38 -2.362 -9.633 -1.082 1.00 0.00 N ATOM 597 CA LEU A 38 -2.996 -8.478 -0.386 1.00 0.00 C ATOM 598 C LEU A 38 -3.269 -8.847 1.075 1.00 0.00 C ATOM 599 O LEU A 38 -3.187 -8.020 1.961 1.00 0.00 O ATOM 600 CB LEU A 38 -4.337 -8.166 -1.083 1.00 0.00 C ATOM 601 CG LEU A 38 -4.979 -6.861 -0.519 1.00 0.00 C ATOM 602 CD1 LEU A 38 -4.511 -5.624 -1.311 1.00 0.00 C ATOM 603 CD2 LEU A 38 -6.512 -6.940 -0.618 1.00 0.00 C ATOM 0 H LEU A 38 -2.968 -10.117 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.335 -7.612 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.176 -8.060 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.024 -9.001 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.667 -6.766 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.975 -4.729 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.427 -5.536 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.800 -5.730 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.950 -6.024 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.804 -7.060 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.870 -7.793 -0.041 1.00 0.00 H new ATOM 615 N GLU A 39 -3.608 -10.083 1.329 1.00 0.00 N ATOM 616 CA GLU A 39 -3.905 -10.506 2.726 1.00 0.00 C ATOM 617 C GLU A 39 -2.614 -10.636 3.539 1.00 0.00 C ATOM 618 O GLU A 39 -2.505 -10.105 4.626 1.00 0.00 O ATOM 619 CB GLU A 39 -4.630 -11.854 2.704 1.00 0.00 C ATOM 620 CG GLU A 39 -6.045 -11.662 2.155 1.00 0.00 C ATOM 621 CD GLU A 39 -6.777 -13.006 2.146 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.279 -13.924 1.516 1.00 0.00 O ATOM 623 OE2 GLU A 39 -7.821 -13.093 2.770 1.00 0.00 O ATOM 0 H GLU A 39 -3.692 -10.818 0.627 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.536 -9.750 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.081 -12.564 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.672 -12.273 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.590 -10.944 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.002 -11.253 1.146 1.00 0.00 H new ATOM 630 N ALA A 40 -1.641 -11.353 3.041 1.00 0.00 N ATOM 631 CA ALA A 40 -0.382 -11.519 3.822 1.00 0.00 C ATOM 632 C ALA A 40 0.326 -10.176 3.998 1.00 0.00 C ATOM 633 O ALA A 40 0.976 -9.939 4.997 1.00 0.00 O ATOM 634 CB ALA A 40 0.561 -12.485 3.118 1.00 0.00 C ATOM 0 H ALA A 40 -1.663 -11.826 2.137 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.649 -11.918 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.474 -12.593 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.078 -13.457 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.807 -12.098 2.129 1.00 0.00 H new ATOM 640 N LEU A 41 0.227 -9.297 3.041 1.00 0.00 N ATOM 641 CA LEU A 41 0.924 -7.986 3.178 1.00 0.00 C ATOM 642 C LEU A 41 0.179 -7.099 4.190 1.00 0.00 C ATOM 643 O LEU A 41 0.780 -6.291 4.866 1.00 0.00 O ATOM 644 CB LEU A 41 1.015 -7.297 1.802 1.00 0.00 C ATOM 645 CG LEU A 41 1.598 -5.883 1.946 1.00 0.00 C ATOM 646 CD1 LEU A 41 2.960 -5.944 2.651 1.00 0.00 C ATOM 647 CD2 LEU A 41 1.772 -5.274 0.551 1.00 0.00 C ATOM 0 H LEU A 41 -0.301 -9.426 2.178 1.00 0.00 H new ATOM 0 HA LEU A 41 1.936 -8.150 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.641 -7.888 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.025 -7.244 1.349 1.00 0.00 H new ATOM 0 HG LEU A 41 0.921 -5.270 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.365 -4.937 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.838 -6.383 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.646 -6.556 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.185 -4.270 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.450 -5.894 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.804 -5.224 0.052 1.00 0.00 H new ATOM 659 N PHE A 42 -1.122 -7.228 4.307 1.00 0.00 N ATOM 660 CA PHE A 42 -1.861 -6.363 5.289 1.00 0.00 C ATOM 661 C PHE A 42 -1.797 -6.992 6.688 1.00 0.00 C ATOM 662 O PHE A 42 -1.457 -6.337 7.656 1.00 0.00 O ATOM 663 CB PHE A 42 -3.343 -6.163 4.842 1.00 0.00 C ATOM 664 CG PHE A 42 -3.550 -4.716 4.416 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.882 -3.744 5.374 1.00 0.00 C ATOM 666 CD2 PHE A 42 -3.374 -4.341 3.074 1.00 0.00 C ATOM 667 CE1 PHE A 42 -4.036 -2.409 4.991 1.00 0.00 C ATOM 668 CE2 PHE A 42 -3.536 -3.003 2.695 1.00 0.00 C ATOM 669 CZ PHE A 42 -3.865 -2.038 3.654 1.00 0.00 C ATOM 0 H PHE A 42 -1.698 -7.882 3.777 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.385 -5.383 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.580 -6.834 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.018 -6.413 5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.018 -4.028 6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.114 -5.084 2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.288 -1.662 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.407 -2.715 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.987 -1.006 3.361 1.00 0.00 H new ATOM 679 N THR A 43 -2.130 -8.246 6.808 1.00 0.00 N ATOM 680 CA THR A 43 -2.103 -8.899 8.148 1.00 0.00 C ATOM 681 C THR A 43 -0.669 -8.960 8.685 1.00 0.00 C ATOM 682 O THR A 43 -0.426 -8.739 9.854 1.00 0.00 O ATOM 683 CB THR A 43 -2.666 -10.320 8.026 1.00 0.00 C ATOM 684 OG1 THR A 43 -4.047 -10.250 7.700 1.00 0.00 O ATOM 685 CG2 THR A 43 -2.491 -11.061 9.353 1.00 0.00 C ATOM 0 H THR A 43 -2.420 -8.848 6.037 1.00 0.00 H new ATOM 0 HA THR A 43 -2.710 -8.316 8.841 1.00 0.00 H new ATOM 0 HB THR A 43 -2.131 -10.857 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.410 -11.157 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.892 -12.070 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.431 -11.113 9.604 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.024 -10.528 10.140 1.00 0.00 H new ATOM 693 N LYS A 44 0.275 -9.294 7.851 1.00 0.00 N ATOM 694 CA LYS A 44 1.683 -9.408 8.328 1.00 0.00 C ATOM 695 C LYS A 44 2.296 -8.028 8.609 1.00 0.00 C ATOM 696 O LYS A 44 2.948 -7.835 9.610 1.00 0.00 O ATOM 697 CB LYS A 44 2.522 -10.128 7.266 1.00 0.00 C ATOM 698 CG LYS A 44 3.830 -10.639 7.892 1.00 0.00 C ATOM 699 CD LYS A 44 4.865 -10.936 6.790 1.00 0.00 C ATOM 700 CE LYS A 44 5.578 -9.646 6.359 1.00 0.00 C ATOM 701 NZ LYS A 44 6.786 -9.996 5.561 1.00 0.00 N ATOM 0 H LYS A 44 0.134 -9.493 6.861 1.00 0.00 H new ATOM 0 HA LYS A 44 1.681 -9.975 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.958 -10.962 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.743 -9.449 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.226 -9.895 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.636 -11.541 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.596 -11.658 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.370 -11.389 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.905 -9.025 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.863 -9.064 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.272 -9.125 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.429 -10.573 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.501 -10.535 4.718 1.00 0.00 H new ATOM 715 N GLU A 45 2.123 -7.074 7.738 1.00 0.00 N ATOM 716 CA GLU A 45 2.739 -5.734 7.984 1.00 0.00 C ATOM 717 C GLU A 45 2.331 -5.198 9.362 1.00 0.00 C ATOM 718 O GLU A 45 3.131 -4.615 10.067 1.00 0.00 O ATOM 719 CB GLU A 45 2.288 -4.751 6.900 1.00 0.00 C ATOM 720 CG GLU A 45 3.011 -3.408 7.074 1.00 0.00 C ATOM 721 CD GLU A 45 2.335 -2.590 8.179 1.00 0.00 C ATOM 722 OE1 GLU A 45 1.131 -2.409 8.101 1.00 0.00 O ATOM 723 OE2 GLU A 45 3.032 -2.160 9.082 1.00 0.00 O ATOM 0 H GLU A 45 1.588 -7.159 6.874 1.00 0.00 H new ATOM 0 HA GLU A 45 3.823 -5.840 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.501 -5.163 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.210 -4.603 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.058 -3.579 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.994 -2.852 6.136 1.00 0.00 H new ATOM 730 N LEU A 46 1.099 -5.374 9.752 1.00 0.00 N ATOM 731 CA LEU A 46 0.664 -4.853 11.082 1.00 0.00 C ATOM 732 C LEU A 46 1.594 -5.371 12.180 1.00 0.00 C ATOM 733 O LEU A 46 1.725 -4.773 13.230 1.00 0.00 O ATOM 734 CB LEU A 46 -0.767 -5.328 11.376 1.00 0.00 C ATOM 735 CG LEU A 46 -1.793 -4.443 10.627 1.00 0.00 C ATOM 736 CD1 LEU A 46 -3.092 -5.233 10.437 1.00 0.00 C ATOM 737 CD2 LEU A 46 -2.101 -3.164 11.432 1.00 0.00 C ATOM 0 H LEU A 46 0.377 -5.853 9.213 1.00 0.00 H new ATOM 0 HA LEU A 46 0.699 -3.764 11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.882 -6.368 11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.957 -5.288 12.449 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.372 -4.161 9.662 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.820 -4.616 9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.889 -6.132 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.493 -5.514 11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.824 -2.557 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.514 -3.436 12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.183 -2.594 11.575 1.00 0.00 H new ATOM 749 N GLU A 47 2.225 -6.483 11.956 1.00 0.00 N ATOM 750 CA GLU A 47 3.129 -7.046 12.996 1.00 0.00 C ATOM 751 C GLU A 47 4.253 -6.053 13.307 1.00 0.00 C ATOM 752 O GLU A 47 4.832 -6.073 14.375 1.00 0.00 O ATOM 753 CB GLU A 47 3.740 -8.348 12.486 1.00 0.00 C ATOM 754 CG GLU A 47 2.663 -9.432 12.372 1.00 0.00 C ATOM 755 CD GLU A 47 2.251 -9.894 13.770 1.00 0.00 C ATOM 756 OE1 GLU A 47 2.916 -10.765 14.304 1.00 0.00 O ATOM 757 OE2 GLU A 47 1.276 -9.368 14.282 1.00 0.00 O ATOM 0 H GLU A 47 2.156 -7.030 11.098 1.00 0.00 H new ATOM 0 HA GLU A 47 2.554 -7.235 13.902 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.204 -8.183 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.528 -8.678 13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.797 -9.043 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.042 -10.276 11.796 1.00 0.00 H new ATOM 764 N LYS A 48 4.577 -5.190 12.376 1.00 0.00 N ATOM 765 CA LYS A 48 5.679 -4.201 12.608 1.00 0.00 C ATOM 766 C LYS A 48 5.094 -2.839 12.995 1.00 0.00 C ATOM 767 O LYS A 48 5.561 -1.810 12.551 1.00 0.00 O ATOM 768 CB LYS A 48 6.491 -4.048 11.320 1.00 0.00 C ATOM 769 CG LYS A 48 7.041 -5.415 10.896 1.00 0.00 C ATOM 770 CD LYS A 48 7.683 -5.298 9.507 1.00 0.00 C ATOM 771 CE LYS A 48 7.990 -6.692 8.945 1.00 0.00 C ATOM 772 NZ LYS A 48 8.788 -6.554 7.693 1.00 0.00 N ATOM 0 H LYS A 48 4.126 -5.126 11.463 1.00 0.00 H new ATOM 0 HA LYS A 48 6.316 -4.559 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.864 -3.635 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.311 -3.347 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.777 -5.764 11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.238 -6.152 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.012 -4.766 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.601 -4.714 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.542 -7.279 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.062 -7.227 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.998 -7.498 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.245 -6.009 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.679 -6.059 7.902 1.00 0.00 H new ATOM 786 N VAL A 49 4.083 -2.818 13.824 1.00 0.00 N ATOM 787 CA VAL A 49 3.481 -1.512 14.237 1.00 0.00 C ATOM 788 C VAL A 49 2.905 -1.638 15.652 1.00 0.00 C ATOM 789 O VAL A 49 3.297 -0.930 16.557 1.00 0.00 O ATOM 790 CB VAL A 49 2.358 -1.128 13.266 1.00 0.00 C ATOM 791 CG1 VAL A 49 1.763 0.217 13.681 1.00 0.00 C ATOM 792 CG2 VAL A 49 2.919 -1.014 11.846 1.00 0.00 C ATOM 0 H VAL A 49 3.648 -3.645 14.233 1.00 0.00 H new ATOM 0 HA VAL A 49 4.252 -0.742 14.222 1.00 0.00 H new ATOM 0 HB VAL A 49 1.585 -1.896 13.291 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.965 0.490 12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.359 0.140 14.691 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.540 0.981 13.658 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.118 -0.741 11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.695 -0.248 11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.345 -1.971 11.545 1.00 0.00 H new ATOM 802 N TYR A 50 1.976 -2.535 15.848 1.00 0.00 N ATOM 803 CA TYR A 50 1.371 -2.710 17.202 1.00 0.00 C ATOM 804 C TYR A 50 2.184 -3.727 18.009 1.00 0.00 C ATOM 805 O TYR A 50 3.393 -3.639 18.093 1.00 0.00 O ATOM 806 CB TYR A 50 -0.072 -3.200 17.053 1.00 0.00 C ATOM 807 CG TYR A 50 -0.899 -2.115 16.395 1.00 0.00 C ATOM 808 CD1 TYR A 50 -1.351 -1.027 17.153 1.00 0.00 C ATOM 809 CD2 TYR A 50 -1.211 -2.194 15.032 1.00 0.00 C ATOM 810 CE1 TYR A 50 -2.112 -0.019 16.549 1.00 0.00 C ATOM 811 CE2 TYR A 50 -1.972 -1.185 14.428 1.00 0.00 C ATOM 812 CZ TYR A 50 -2.423 -0.099 15.186 1.00 0.00 C ATOM 813 OH TYR A 50 -3.173 0.894 14.591 1.00 0.00 O ATOM 0 H TYR A 50 1.609 -3.156 15.127 1.00 0.00 H new ATOM 0 HA TYR A 50 1.378 -1.755 17.728 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.100 -4.110 16.453 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.487 -3.449 18.030 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.112 -0.966 18.204 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.865 -3.033 14.447 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.459 0.820 17.134 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.211 -1.245 13.376 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.297 0.686 13.641 1.00 0.00 H new ATOM 823 N ASP A 51 1.529 -4.684 18.615 1.00 0.00 N ATOM 824 CA ASP A 51 2.251 -5.705 19.435 1.00 0.00 C ATOM 825 C ASP A 51 1.564 -7.073 19.235 1.00 0.00 C ATOM 826 O ASP A 51 0.442 -7.235 19.670 1.00 0.00 O ATOM 827 CB ASP A 51 2.139 -5.307 20.916 1.00 0.00 C ATOM 828 CG ASP A 51 0.701 -4.884 21.218 1.00 0.00 C ATOM 829 OD1 ASP A 51 0.379 -3.732 20.971 1.00 0.00 O ATOM 830 OD2 ASP A 51 -0.055 -5.717 21.690 1.00 0.00 O ATOM 0 H ASP A 51 0.517 -4.803 18.577 1.00 0.00 H new ATOM 0 HA ASP A 51 3.298 -5.763 19.137 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.425 -6.145 21.552 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.825 -4.489 21.138 1.00 0.00 H new ATOM 835 N PRO A 52 2.212 -8.031 18.584 1.00 0.00 N ATOM 836 CA PRO A 52 1.580 -9.345 18.362 1.00 0.00 C ATOM 837 C PRO A 52 1.470 -10.098 19.697 1.00 0.00 C ATOM 838 O PRO A 52 1.722 -11.281 19.782 1.00 0.00 O ATOM 839 CB PRO A 52 2.512 -10.071 17.375 1.00 0.00 C ATOM 840 CG PRO A 52 3.845 -9.281 17.366 1.00 0.00 C ATOM 841 CD PRO A 52 3.577 -7.912 18.025 1.00 0.00 C ATOM 0 HA PRO A 52 0.568 -9.271 17.964 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.675 -11.104 17.684 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.073 -10.102 16.378 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.617 -9.825 17.911 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.207 -9.151 16.346 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.308 -7.697 18.805 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.639 -7.102 17.298 1.00 0.00 H new ATOM 849 N LYS A 53 1.080 -9.396 20.722 1.00 0.00 N ATOM 850 CA LYS A 53 0.908 -10.000 22.085 1.00 0.00 C ATOM 851 C LYS A 53 2.270 -10.300 22.716 1.00 0.00 C ATOM 852 O LYS A 53 2.355 -10.932 23.750 1.00 0.00 O ATOM 853 CB LYS A 53 0.074 -11.295 22.024 1.00 0.00 C ATOM 854 CG LYS A 53 -1.206 -11.075 21.193 1.00 0.00 C ATOM 855 CD LYS A 53 -1.793 -12.425 20.753 1.00 0.00 C ATOM 856 CE LYS A 53 -2.777 -12.204 19.602 1.00 0.00 C ATOM 857 NZ LYS A 53 -3.469 -13.486 19.288 1.00 0.00 N ATOM 0 H LYS A 53 0.866 -8.400 20.677 1.00 0.00 H new ATOM 0 HA LYS A 53 0.377 -9.273 22.699 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.667 -12.096 21.583 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.190 -11.612 23.033 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.940 -10.526 21.782 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.980 -10.466 20.318 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.994 -13.096 20.438 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.299 -12.904 21.591 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.507 -11.442 19.874 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.248 -11.839 18.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.138 -13.337 18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.766 -14.201 19.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.986 -13.816 20.128 1.00 0.00 H new ATOM 871 N ASN A 54 3.336 -9.842 22.118 1.00 0.00 N ATOM 872 CA ASN A 54 4.688 -10.093 22.708 1.00 0.00 C ATOM 873 C ASN A 54 4.994 -8.994 23.724 1.00 0.00 C ATOM 874 O ASN A 54 5.886 -9.118 24.539 1.00 0.00 O ATOM 875 CB ASN A 54 5.752 -10.092 21.606 1.00 0.00 C ATOM 876 CG ASN A 54 7.115 -10.434 22.213 1.00 0.00 C ATOM 877 OD1 ASN A 54 7.189 -11.333 23.157 1.00 0.00 O flip ATOM 878 ND2 ASN A 54 8.122 -9.878 21.825 1.00 0.00 N flip ATOM 0 H ASN A 54 3.333 -9.307 21.250 1.00 0.00 H new ATOM 0 HA ASN A 54 4.697 -11.066 23.200 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.493 -10.817 20.835 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.791 -9.115 21.124 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.065 -9.176 21.088 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.025 -10.113 22.236 1.00 0.00 H new ATOM 885 N GLU A 55 4.252 -7.927 23.690 1.00 0.00 N ATOM 886 CA GLU A 55 4.485 -6.821 24.663 1.00 0.00 C ATOM 887 C GLU A 55 3.212 -5.981 24.795 1.00 0.00 C ATOM 888 O GLU A 55 2.602 -5.601 23.816 1.00 0.00 O ATOM 889 CB GLU A 55 5.634 -5.936 24.174 1.00 0.00 C ATOM 890 CG GLU A 55 5.322 -5.410 22.771 1.00 0.00 C ATOM 891 CD GLU A 55 6.573 -4.757 22.183 1.00 0.00 C ATOM 892 OE1 GLU A 55 7.261 -4.069 22.919 1.00 0.00 O ATOM 893 OE2 GLU A 55 6.823 -4.955 21.005 1.00 0.00 O ATOM 0 H GLU A 55 3.491 -7.769 23.029 1.00 0.00 H new ATOM 0 HA GLU A 55 4.745 -7.243 25.634 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.781 -5.102 24.861 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.563 -6.505 24.161 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.989 -6.227 22.130 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.507 -4.687 22.815 1.00 0.00 H new ATOM 900 N GLU A 56 2.808 -5.685 26.000 1.00 0.00 N ATOM 901 CA GLU A 56 1.580 -4.866 26.193 1.00 0.00 C ATOM 902 C GLU A 56 0.441 -5.448 25.348 1.00 0.00 C ATOM 903 O GLU A 56 0.554 -6.522 24.791 1.00 0.00 O ATOM 904 CB GLU A 56 1.876 -3.432 25.751 1.00 0.00 C ATOM 905 CG GLU A 56 2.712 -2.727 26.823 1.00 0.00 C ATOM 906 CD GLU A 56 1.843 -2.452 28.050 1.00 0.00 C ATOM 907 OE1 GLU A 56 1.137 -1.457 28.041 1.00 0.00 O ATOM 908 OE2 GLU A 56 1.897 -3.242 28.979 1.00 0.00 O ATOM 0 H GLU A 56 3.276 -5.975 26.859 1.00 0.00 H new ATOM 0 HA GLU A 56 1.282 -4.874 27.241 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.412 -3.436 24.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.944 -2.891 25.588 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.565 -3.347 27.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.112 -1.792 26.431 1.00 0.00 H new ATOM 915 N ASP A 57 -0.659 -4.746 25.250 1.00 0.00 N ATOM 916 CA ASP A 57 -1.813 -5.245 24.448 1.00 0.00 C ATOM 917 C ASP A 57 -2.513 -4.050 23.808 1.00 0.00 C ATOM 918 O ASP A 57 -3.110 -3.232 24.478 1.00 0.00 O ATOM 919 CB ASP A 57 -2.793 -5.983 25.365 1.00 0.00 C ATOM 920 CG ASP A 57 -3.938 -6.558 24.530 1.00 0.00 C ATOM 921 OD1 ASP A 57 -4.892 -5.836 24.292 1.00 0.00 O ATOM 922 OD2 ASP A 57 -3.841 -7.711 24.144 1.00 0.00 O ATOM 0 H ASP A 57 -0.807 -3.841 25.696 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.463 -5.930 23.676 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.278 -6.784 25.896 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.186 -5.301 26.119 1.00 0.00 H new ATOM 927 N ASP A 58 -2.449 -3.949 22.512 1.00 0.00 N ATOM 928 CA ASP A 58 -3.109 -2.818 21.805 1.00 0.00 C ATOM 929 C ASP A 58 -3.291 -3.205 20.337 1.00 0.00 C ATOM 930 O ASP A 58 -3.739 -2.422 19.523 1.00 0.00 O ATOM 931 CB ASP A 58 -2.228 -1.569 21.892 1.00 0.00 C ATOM 932 CG ASP A 58 -2.164 -1.082 23.341 1.00 0.00 C ATOM 933 OD1 ASP A 58 -3.157 -0.556 23.814 1.00 0.00 O ATOM 934 OD2 ASP A 58 -1.120 -1.241 23.952 1.00 0.00 O ATOM 0 H ASP A 58 -1.962 -4.609 21.905 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.075 -2.606 22.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.225 -1.794 21.529 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.630 -0.784 21.252 1.00 0.00 H new ATOM 939 N MET A 59 -2.941 -4.418 19.998 1.00 0.00 N ATOM 940 CA MET A 59 -3.082 -4.880 18.586 1.00 0.00 C ATOM 941 C MET A 59 -4.512 -5.374 18.363 1.00 0.00 C ATOM 942 O MET A 59 -4.936 -5.601 17.249 1.00 0.00 O ATOM 943 CB MET A 59 -2.086 -6.022 18.329 1.00 0.00 C ATOM 944 CG MET A 59 -1.948 -6.302 16.821 1.00 0.00 C ATOM 945 SD MET A 59 -3.243 -7.453 16.296 1.00 0.00 S ATOM 946 CE MET A 59 -3.509 -6.768 14.641 1.00 0.00 C ATOM 0 H MET A 59 -2.562 -5.112 20.642 1.00 0.00 H new ATOM 0 HA MET A 59 -2.873 -4.060 17.899 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.113 -5.762 18.745 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.421 -6.924 18.841 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.025 -5.371 16.259 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.965 -6.722 16.607 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.284 -7.340 14.131 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.822 -5.727 14.724 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.582 -6.824 14.071 1.00 0.00 H new ATOM 956 N ARG A 60 -5.263 -5.539 19.419 1.00 0.00 N ATOM 957 CA ARG A 60 -6.673 -6.011 19.279 1.00 0.00 C ATOM 958 C ARG A 60 -7.614 -4.805 19.310 1.00 0.00 C ATOM 959 O ARG A 60 -8.387 -4.588 18.401 1.00 0.00 O ATOM 960 CB ARG A 60 -7.010 -6.945 20.442 1.00 0.00 C ATOM 961 CG ARG A 60 -8.361 -7.612 20.183 1.00 0.00 C ATOM 962 CD ARG A 60 -8.755 -8.457 21.395 1.00 0.00 C ATOM 963 NE ARG A 60 -7.577 -9.245 21.854 1.00 0.00 N ATOM 964 CZ ARG A 60 -7.584 -9.802 23.033 1.00 0.00 C ATOM 965 NH1 ARG A 60 -8.622 -9.666 23.812 1.00 0.00 N ATOM 966 NH2 ARG A 60 -6.553 -10.492 23.435 1.00 0.00 N ATOM 0 H ARG A 60 -4.960 -5.367 20.377 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.790 -6.544 18.335 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.233 -7.702 20.552 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.042 -6.384 21.376 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.121 -6.855 19.992 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.304 -8.238 19.293 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.112 -7.814 22.200 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.575 -9.126 21.134 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.765 -9.349 21.246 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.427 -9.124 23.499 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.628 -10.102 24.734 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.741 -10.596 22.827 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.559 -10.927 24.357 1.00 0.00 H new ATOM 980 N GLU A 61 -7.576 -4.048 20.374 1.00 0.00 N ATOM 981 CA GLU A 61 -8.478 -2.864 20.520 1.00 0.00 C ATOM 982 C GLU A 61 -8.695 -2.134 19.184 1.00 0.00 C ATOM 983 O GLU A 61 -9.684 -1.447 19.023 1.00 0.00 O ATOM 984 CB GLU A 61 -7.860 -1.889 21.529 1.00 0.00 C ATOM 985 CG GLU A 61 -8.012 -2.446 22.949 1.00 0.00 C ATOM 986 CD GLU A 61 -7.176 -3.719 23.095 1.00 0.00 C ATOM 987 OE1 GLU A 61 -6.134 -3.796 22.465 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.592 -4.596 23.834 1.00 0.00 O ATOM 0 H GLU A 61 -6.948 -4.202 21.163 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.448 -3.222 20.866 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.806 -1.734 21.300 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.348 -0.917 21.455 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.690 -1.702 23.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.060 -2.662 23.155 1.00 0.00 H new ATOM 995 N MET A 62 -7.796 -2.261 18.231 1.00 0.00 N ATOM 996 CA MET A 62 -7.985 -1.547 16.915 1.00 0.00 C ATOM 997 C MET A 62 -8.317 -2.543 15.806 1.00 0.00 C ATOM 998 O MET A 62 -8.417 -2.173 14.656 1.00 0.00 O ATOM 999 CB MET A 62 -6.720 -0.747 16.535 1.00 0.00 C ATOM 1000 CG MET A 62 -5.417 -1.563 16.705 1.00 0.00 C ATOM 1001 SD MET A 62 -5.593 -3.271 16.100 1.00 0.00 S ATOM 1002 CE MET A 62 -5.425 -2.991 14.308 1.00 0.00 C ATOM 0 H MET A 62 -6.947 -2.822 18.303 1.00 0.00 H new ATOM 0 HA MET A 62 -8.817 -0.852 17.030 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.803 -0.416 15.500 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.664 0.150 17.152 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.608 -1.070 16.166 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.135 -1.579 17.758 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.291 -3.405 13.792 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.363 -1.921 14.111 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.520 -3.480 13.947 1.00 0.00 H new ATOM 1012 N GLU A 63 -8.471 -3.801 16.141 1.00 0.00 N ATOM 1013 CA GLU A 63 -8.785 -4.843 15.107 1.00 0.00 C ATOM 1014 C GLU A 63 -9.771 -4.284 14.077 1.00 0.00 C ATOM 1015 O GLU A 63 -9.846 -4.747 12.956 1.00 0.00 O ATOM 1016 CB GLU A 63 -9.401 -6.063 15.794 1.00 0.00 C ATOM 1017 CG GLU A 63 -10.678 -5.645 16.526 1.00 0.00 C ATOM 1018 CD GLU A 63 -11.185 -6.811 17.377 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -11.493 -7.844 16.806 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -11.255 -6.651 18.585 1.00 0.00 O ATOM 0 H GLU A 63 -8.392 -4.156 17.094 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.866 -5.130 14.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.627 -6.833 15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.690 -6.495 16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.480 -4.779 17.158 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.441 -5.347 15.807 1.00 0.00 H new ATOM 1027 N GLU A 64 -10.513 -3.283 14.450 1.00 0.00 N ATOM 1028 CA GLU A 64 -11.485 -2.673 13.503 1.00 0.00 C ATOM 1029 C GLU A 64 -10.728 -1.982 12.364 1.00 0.00 C ATOM 1030 O GLU A 64 -11.253 -1.783 11.286 1.00 0.00 O ATOM 1031 CB GLU A 64 -12.317 -1.634 14.251 1.00 0.00 C ATOM 1032 CG GLU A 64 -13.236 -2.334 15.255 1.00 0.00 C ATOM 1033 CD GLU A 64 -14.310 -3.122 14.504 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -15.247 -2.503 14.026 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -14.178 -4.333 14.418 1.00 0.00 O ATOM 0 H GLU A 64 -10.488 -2.857 15.377 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.132 -3.448 13.092 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.662 -0.934 14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.910 -1.052 13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.655 -3.004 15.889 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.702 -1.599 15.911 1.00 0.00 H new ATOM 1042 N GLU A 65 -9.502 -1.601 12.601 1.00 0.00 N ATOM 1043 CA GLU A 65 -8.712 -0.907 11.543 1.00 0.00 C ATOM 1044 C GLU A 65 -8.381 -1.882 10.408 1.00 0.00 C ATOM 1045 O GLU A 65 -8.208 -1.487 9.272 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.409 -0.380 12.149 1.00 0.00 C ATOM 1047 CG GLU A 65 -6.763 0.616 11.184 1.00 0.00 C ATOM 1048 CD GLU A 65 -7.574 1.913 11.169 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -7.671 2.541 12.211 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -8.084 2.257 10.116 1.00 0.00 O ATOM 0 H GLU A 65 -9.012 -1.741 13.484 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.299 -0.080 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.610 0.102 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.727 -1.207 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.737 0.820 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.719 0.191 10.181 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.285 -3.147 10.704 1.00 0.00 N ATOM 1058 CA ARG A 66 -7.956 -4.138 9.635 1.00 0.00 C ATOM 1059 C ARG A 66 -9.044 -4.094 8.553 1.00 0.00 C ATOM 1060 O ARG A 66 -8.756 -4.037 7.374 1.00 0.00 O ATOM 1061 CB ARG A 66 -7.883 -5.555 10.255 1.00 0.00 C ATOM 1062 CG ARG A 66 -6.434 -5.902 10.626 1.00 0.00 C ATOM 1063 CD ARG A 66 -6.378 -7.326 11.181 1.00 0.00 C ATOM 1064 NE ARG A 66 -7.463 -7.511 12.185 1.00 0.00 N ATOM 1065 CZ ARG A 66 -7.803 -8.713 12.563 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -7.194 -9.752 12.061 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -8.752 -8.876 13.444 1.00 0.00 N ATOM 0 H ARG A 66 -8.419 -3.540 11.636 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.993 -3.894 9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.514 -5.604 11.142 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.270 -6.289 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.792 -5.816 9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.058 -5.196 11.367 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.490 -8.048 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.407 -7.511 11.641 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.940 -6.699 12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.452 -9.625 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.460 -10.691 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.228 -8.064 13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.018 -9.815 13.739 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.286 -4.128 8.945 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.386 -4.099 7.940 1.00 0.00 C ATOM 1083 C LEU A 67 -11.534 -2.684 7.361 1.00 0.00 C ATOM 1084 O LEU A 67 -11.977 -2.513 6.242 1.00 0.00 O ATOM 1085 CB LEU A 67 -12.697 -4.578 8.605 1.00 0.00 C ATOM 1086 CG LEU A 67 -13.450 -3.402 9.269 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.280 -2.608 8.221 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -14.376 -3.949 10.370 1.00 0.00 C ATOM 0 H LEU A 67 -10.588 -4.175 9.918 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.152 -4.771 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.337 -5.047 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.472 -5.338 9.353 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.720 -2.721 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.799 -1.787 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.614 -2.209 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.009 -3.271 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.909 -3.123 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.095 -4.641 9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.781 -4.471 11.119 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.178 -1.670 8.102 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.320 -0.285 7.561 1.00 0.00 C ATOM 1102 C ARG A 68 -10.366 -0.102 6.376 1.00 0.00 C ATOM 1103 O ARG A 68 -10.695 0.539 5.397 1.00 0.00 O ATOM 1104 CB ARG A 68 -10.994 0.739 8.660 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.041 2.172 8.103 1.00 0.00 C ATOM 1106 CD ARG A 68 -12.429 2.478 7.521 1.00 0.00 C ATOM 1107 NE ARG A 68 -12.512 1.961 6.125 1.00 0.00 N ATOM 1108 CZ ARG A 68 -13.675 1.830 5.547 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -14.764 2.150 6.191 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -13.749 1.380 4.324 1.00 0.00 N ATOM 0 H ARG A 68 -10.800 -1.737 9.047 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.345 -0.129 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.706 0.639 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.005 0.536 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.807 2.884 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.282 2.293 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.202 2.018 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.610 3.553 7.533 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.661 1.710 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.707 2.503 7.146 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.673 2.048 5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.898 1.131 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.658 1.278 3.872 1.00 0.00 H new ATOM 1124 N MET A 69 -9.190 -0.662 6.454 1.00 0.00 N ATOM 1125 CA MET A 69 -8.219 -0.518 5.323 1.00 0.00 C ATOM 1126 C MET A 69 -8.520 -1.582 4.265 1.00 0.00 C ATOM 1127 O MET A 69 -8.652 -1.281 3.095 1.00 0.00 O ATOM 1128 CB MET A 69 -6.771 -0.680 5.819 1.00 0.00 C ATOM 1129 CG MET A 69 -6.502 0.221 7.038 1.00 0.00 C ATOM 1130 SD MET A 69 -5.121 -0.461 7.988 1.00 0.00 S ATOM 1131 CE MET A 69 -4.546 1.097 8.707 1.00 0.00 C ATOM 0 H MET A 69 -8.857 -1.211 7.246 1.00 0.00 H new ATOM 0 HA MET A 69 -8.325 0.478 4.894 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.588 -1.721 6.084 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.078 -0.429 5.016 1.00 0.00 H new ATOM 0 HG2 MET A 69 -6.269 1.235 6.712 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.393 0.284 7.663 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.015 0.894 9.637 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.875 1.595 8.007 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.401 1.741 8.910 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.633 -2.820 4.656 1.00 0.00 N ATOM 1142 CA ARG A 70 -8.930 -3.889 3.661 1.00 0.00 C ATOM 1143 C ARG A 70 -10.165 -3.506 2.830 1.00 0.00 C ATOM 1144 O ARG A 70 -10.270 -3.860 1.672 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.202 -5.200 4.404 1.00 0.00 C ATOM 1146 CG ARG A 70 -9.323 -6.357 3.397 1.00 0.00 C ATOM 1147 CD ARG A 70 -9.809 -7.637 4.105 1.00 0.00 C ATOM 1148 NE ARG A 70 -9.250 -8.837 3.404 1.00 0.00 N ATOM 1149 CZ ARG A 70 -9.367 -8.983 2.112 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -10.139 -8.189 1.423 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -8.754 -9.966 1.512 1.00 0.00 N ATOM 0 H ARG A 70 -8.533 -3.138 5.620 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.077 -4.009 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.396 -5.403 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.120 -5.115 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.020 -6.086 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.358 -6.539 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.492 -7.631 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.898 -7.676 4.103 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.769 -9.554 3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.657 -7.447 1.893 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.225 -8.310 0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.185 -10.618 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.844 -10.083 0.503 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.109 -2.808 3.408 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.339 -2.436 2.638 1.00 0.00 C ATOM 1167 C GLU A 71 -12.121 -1.133 1.859 1.00 0.00 C ATOM 1168 O GLU A 71 -12.336 -1.076 0.666 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.509 -2.254 3.611 1.00 0.00 C ATOM 1170 CG GLU A 71 -13.936 -3.615 4.167 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.245 -3.462 4.942 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.539 -2.354 5.359 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.934 -4.456 5.105 1.00 0.00 O ATOM 0 H GLU A 71 -11.084 -2.480 4.374 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.560 -3.233 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.216 -1.593 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.348 -1.779 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.064 -4.328 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.159 -4.013 4.820 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.702 -0.085 2.516 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.482 1.205 1.794 1.00 0.00 C ATOM 1182 C HIS A 72 -10.526 0.990 0.616 1.00 0.00 C ATOM 1183 O HIS A 72 -10.661 1.619 -0.416 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.901 2.253 2.754 1.00 0.00 C ATOM 1185 CG HIS A 72 -11.091 3.633 2.181 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -10.702 3.957 0.891 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -11.623 4.782 2.712 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.004 5.253 0.690 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -11.568 5.803 1.768 1.00 0.00 N ATOM 0 H HIS A 72 -11.503 -0.064 3.516 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.439 1.564 1.414 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.392 2.182 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.841 2.061 2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -10.266 3.328 0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.023 4.879 3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.813 5.784 -0.231 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.565 0.120 0.743 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.629 -0.100 -0.398 1.00 0.00 C ATOM 1199 C VAL A 73 -9.331 -0.909 -1.495 1.00 0.00 C ATOM 1200 O VAL A 73 -9.371 -0.509 -2.641 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.386 -0.854 0.089 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.539 -1.284 -1.113 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.557 0.064 0.991 1.00 0.00 C ATOM 0 H VAL A 73 -9.386 -0.443 1.575 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.325 0.865 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.695 -1.737 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.656 -1.820 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.127 -1.936 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.230 -0.402 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.672 -0.470 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.251 0.946 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.157 0.370 1.848 1.00 0.00 H new ATOM 1213 N MET A 74 -9.879 -2.042 -1.159 1.00 0.00 N ATOM 1214 CA MET A 74 -10.568 -2.869 -2.191 1.00 0.00 C ATOM 1215 C MET A 74 -11.804 -2.135 -2.719 1.00 0.00 C ATOM 1216 O MET A 74 -12.349 -2.495 -3.740 1.00 0.00 O ATOM 1217 CB MET A 74 -10.989 -4.216 -1.589 1.00 0.00 C ATOM 1218 CG MET A 74 -9.761 -5.115 -1.401 1.00 0.00 C ATOM 1219 SD MET A 74 -10.303 -6.824 -1.126 1.00 0.00 S ATOM 1220 CE MET A 74 -10.040 -7.445 -2.809 1.00 0.00 C ATOM 0 H MET A 74 -9.881 -2.432 -0.217 1.00 0.00 H new ATOM 0 HA MET A 74 -9.877 -3.043 -3.016 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.483 -4.056 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.711 -4.705 -2.242 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.120 -5.062 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.169 -4.769 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.023 -8.535 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.849 -7.103 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.090 -7.071 -3.190 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.268 -1.122 -2.045 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.476 -0.402 -2.542 1.00 0.00 C ATOM 1232 C LYS A 75 -13.080 0.669 -3.569 1.00 0.00 C ATOM 1233 O LYS A 75 -13.791 0.906 -4.526 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.176 0.269 -1.362 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.580 0.710 -1.777 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.286 1.348 -0.577 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.471 2.174 -1.057 1.00 0.00 C ATOM 1238 NZ LYS A 75 -18.236 1.406 -2.079 1.00 0.00 N ATOM 0 H LYS A 75 -11.869 -0.762 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.144 -1.118 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.235 -0.422 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.598 1.130 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.521 1.422 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.151 -0.146 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.625 0.574 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.589 1.980 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.118 2.423 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.123 3.116 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.217 1.750 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.795 1.534 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.231 0.396 -1.830 1.00 0.00 H new ATOM 1252 N ASN A 76 -11.973 1.346 -3.361 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.557 2.437 -4.308 1.00 0.00 C ATOM 1254 C ASN A 76 -10.392 2.015 -5.219 1.00 0.00 C ATOM 1255 O ASN A 76 -10.225 2.571 -6.286 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.141 3.668 -3.495 1.00 0.00 C ATOM 1257 CG ASN A 76 -9.817 3.395 -2.777 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -9.407 2.166 -2.632 1.00 0.00 O flip ATOM 1259 ND2 ASN A 76 -9.149 4.312 -2.342 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.339 1.191 -2.577 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.408 2.660 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.037 4.531 -4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.915 3.913 -2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.469 5.274 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.269 4.120 -1.864 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.576 1.061 -4.836 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.430 0.668 -5.733 1.00 0.00 C ATOM 1268 C VAL A 77 -8.862 -0.467 -6.671 1.00 0.00 C ATOM 1269 O VAL A 77 -8.479 -0.495 -7.819 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.205 0.255 -4.898 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.195 -0.481 -5.791 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.529 1.514 -4.331 1.00 0.00 C ATOM 0 H VAL A 77 -9.647 0.544 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.147 1.529 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.528 -0.398 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.329 -0.772 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.662 -1.371 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.876 0.178 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.661 1.225 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.211 2.157 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.235 2.053 -3.700 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.669 -1.387 -6.222 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.123 -2.468 -7.149 1.00 0.00 C ATOM 1284 C ASP A 78 -11.002 -1.822 -8.216 1.00 0.00 C ATOM 1285 O ASP A 78 -12.122 -1.428 -7.960 1.00 0.00 O ATOM 1286 CB ASP A 78 -10.934 -3.515 -6.392 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.054 -4.189 -5.341 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -8.843 -4.089 -5.458 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -10.604 -4.794 -4.437 1.00 0.00 O ATOM 0 H ASP A 78 -10.031 -1.441 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.260 -2.962 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.794 -3.046 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.322 -4.260 -7.087 1.00 0.00 H new ATOM 1294 N THR A 79 -10.483 -1.668 -9.405 1.00 0.00 N ATOM 1295 CA THR A 79 -11.264 -0.999 -10.484 1.00 0.00 C ATOM 1296 C THR A 79 -12.213 -1.979 -11.184 1.00 0.00 C ATOM 1297 O THR A 79 -13.396 -1.729 -11.297 1.00 0.00 O ATOM 1298 CB THR A 79 -10.297 -0.387 -11.521 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.202 -1.235 -12.657 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.901 -0.181 -10.901 1.00 0.00 C ATOM 0 H THR A 79 -9.550 -1.978 -9.675 1.00 0.00 H new ATOM 0 HA THR A 79 -11.866 -0.215 -10.026 1.00 0.00 H new ATOM 0 HB THR A 79 -10.688 0.582 -11.830 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.041 -1.200 -13.162 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.232 0.251 -11.646 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.978 0.493 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.504 -1.141 -10.571 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.708 -3.081 -11.663 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.584 -4.075 -12.373 1.00 0.00 C ATOM 1310 C ASN A 80 -12.968 -5.194 -11.409 1.00 0.00 C ATOM 1311 O ASN A 80 -13.314 -6.287 -11.813 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.839 -4.659 -13.575 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.386 -3.524 -14.495 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -11.906 -2.337 -14.351 1.00 0.00 O flip ATOM 1315 ND2 ASN A 80 -10.550 -3.720 -15.355 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.725 -3.344 -11.597 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.486 -3.575 -12.724 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.977 -5.234 -13.238 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.487 -5.346 -14.119 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.143 -4.648 -15.468 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.256 -2.956 -15.964 1.00 0.00 H new ATOM 1322 N GLN A 81 -12.932 -4.901 -10.139 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.308 -5.890 -9.085 1.00 0.00 C ATOM 1324 C GLN A 81 -12.985 -7.333 -9.496 1.00 0.00 C ATOM 1325 O GLN A 81 -13.691 -8.256 -9.140 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.804 -5.768 -8.784 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.067 -4.488 -7.983 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.642 -4.695 -6.526 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -14.041 -5.802 -6.184 1.00 0.00 O flip ATOM 1330 NE2 GLN A 81 -14.860 -3.840 -5.691 1.00 0.00 N flip ATOM 0 H GLN A 81 -12.649 -3.991 -9.776 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.719 -5.663 -8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.372 -5.749 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.144 -6.637 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.515 -3.655 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.125 -4.229 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.330 -2.975 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.573 -3.987 -4.723 1.00 0.00 H new ATOM 1339 N ASP A 82 -11.920 -7.543 -10.212 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.552 -8.934 -10.605 1.00 0.00 C ATOM 1341 C ASP A 82 -10.755 -9.536 -9.454 1.00 0.00 C ATOM 1342 O ASP A 82 -10.109 -10.557 -9.581 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.688 -8.902 -11.868 1.00 0.00 C ATOM 1344 CG ASP A 82 -11.497 -8.312 -13.025 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -12.711 -8.422 -12.991 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -10.888 -7.760 -13.926 1.00 0.00 O ATOM 0 H ASP A 82 -11.287 -6.815 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.444 -9.526 -10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.793 -8.305 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.355 -9.909 -12.119 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.785 -8.866 -8.335 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.026 -9.316 -7.134 1.00 0.00 C ATOM 1353 C ARG A 83 -8.534 -9.242 -7.450 1.00 0.00 C ATOM 1354 O ARG A 83 -7.690 -9.471 -6.606 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.415 -10.746 -6.740 1.00 0.00 C ATOM 1356 CG ARG A 83 -11.950 -10.891 -6.763 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.370 -12.258 -6.178 1.00 0.00 C ATOM 1358 NE ARG A 83 -13.480 -12.838 -6.999 1.00 0.00 N ATOM 1359 CZ ARG A 83 -14.519 -12.118 -7.337 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -14.686 -10.923 -6.843 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -15.419 -12.618 -8.139 1.00 0.00 N ATOM 0 H ARG A 83 -11.316 -8.006 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.265 -8.667 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.962 -11.459 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.033 -10.976 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.406 -10.086 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.315 -10.798 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.518 -12.938 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.694 -12.138 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.425 -13.811 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.004 -10.542 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.499 -10.369 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.311 -13.566 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.231 -12.061 -8.405 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.210 -8.903 -8.670 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.789 -8.777 -9.100 1.00 0.00 C ATOM 1377 C LEU A 84 -6.583 -7.328 -9.548 1.00 0.00 C ATOM 1378 O LEU A 84 -7.395 -6.772 -10.260 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.542 -9.745 -10.282 1.00 0.00 C ATOM 1380 CG LEU A 84 -5.862 -11.050 -9.797 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -6.824 -11.870 -8.919 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.458 -11.879 -11.023 1.00 0.00 C ATOM 0 H LEU A 84 -8.890 -8.704 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.097 -9.025 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.489 -9.982 -10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.914 -9.260 -11.029 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.984 -10.797 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.327 -12.782 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.115 -11.280 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.712 -12.129 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.978 -12.801 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.346 -12.120 -11.608 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.763 -11.306 -11.637 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.516 -6.712 -9.115 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.255 -5.281 -9.485 1.00 0.00 C ATOM 1396 C VAL A 85 -4.028 -5.187 -10.389 1.00 0.00 C ATOM 1397 O VAL A 85 -2.980 -5.700 -10.053 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.967 -4.487 -8.208 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.591 -3.049 -8.581 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.213 -4.474 -7.315 1.00 0.00 C ATOM 0 H VAL A 85 -4.807 -7.137 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.126 -4.883 -10.005 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.143 -4.954 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.385 -2.480 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.703 -3.057 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.417 -2.585 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.004 -3.908 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.040 -4.008 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.482 -5.497 -7.051 1.00 0.00 H new ATOM 1410 N THR A 86 -4.126 -4.508 -11.511 1.00 0.00 N ATOM 1411 CA THR A 86 -2.927 -4.362 -12.401 1.00 0.00 C ATOM 1412 C THR A 86 -2.353 -2.963 -12.184 1.00 0.00 C ATOM 1413 O THR A 86 -2.921 -2.167 -11.473 1.00 0.00 O ATOM 1414 CB THR A 86 -3.324 -4.548 -13.862 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.071 -3.422 -14.298 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.164 -5.816 -14.009 1.00 0.00 C ATOM 0 H THR A 86 -4.975 -4.053 -11.846 1.00 0.00 H new ATOM 0 HA THR A 86 -2.183 -5.120 -12.159 1.00 0.00 H new ATOM 0 HB THR A 86 -2.426 -4.642 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.324 -3.541 -15.237 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.446 -5.946 -15.054 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.583 -6.678 -13.680 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.063 -5.730 -13.398 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.240 -2.652 -12.783 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.645 -1.293 -12.595 1.00 0.00 C ATOM 1426 C LEU A 87 -1.451 -0.273 -13.408 1.00 0.00 C ATOM 1427 O LEU A 87 -1.581 0.874 -13.031 1.00 0.00 O ATOM 1428 CB LEU A 87 0.820 -1.329 -13.087 1.00 0.00 C ATOM 1429 CG LEU A 87 1.474 0.100 -13.152 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.422 0.320 -11.969 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.275 0.261 -14.455 1.00 0.00 C ATOM 0 H LEU A 87 -0.714 -3.276 -13.395 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.671 -1.005 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.407 -1.963 -12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.856 -1.786 -14.076 1.00 0.00 H new ATOM 0 HG LEU A 87 0.669 0.834 -13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.862 1.315 -12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.866 0.231 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.213 -0.429 -11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.722 1.255 -14.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.062 -0.492 -14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.610 0.135 -15.309 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.978 -0.671 -14.521 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.746 0.288 -15.363 1.00 0.00 C ATOM 1445 C GLU A 88 -4.004 0.787 -14.642 1.00 0.00 C ATOM 1446 O GLU A 88 -4.124 1.957 -14.338 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.152 -0.410 -16.663 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.895 -0.834 -17.426 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.287 -1.376 -18.802 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -2.734 -0.589 -19.621 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.133 -2.567 -19.014 1.00 0.00 O ATOM 0 H GLU A 88 -1.914 -1.620 -14.890 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.112 1.150 -15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.769 -1.281 -16.444 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.754 0.261 -17.276 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.221 0.016 -17.537 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.356 -1.597 -16.864 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.955 -0.069 -14.397 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.211 0.390 -13.738 1.00 0.00 C ATOM 1460 C GLU A 89 -5.901 1.009 -12.361 1.00 0.00 C ATOM 1461 O GLU A 89 -6.555 1.943 -11.934 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.190 -0.799 -13.602 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.024 -1.757 -14.793 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.060 -0.965 -16.103 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.100 -0.400 -16.403 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.048 -0.937 -16.784 1.00 0.00 O ATOM 0 H GLU A 89 -4.919 -1.063 -14.623 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.679 1.159 -14.352 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.002 -1.330 -12.669 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.216 -0.433 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.081 -2.296 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.819 -2.502 -14.786 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.910 0.515 -11.667 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.576 1.095 -10.329 1.00 0.00 C ATOM 1475 C PHE A 90 -4.065 2.532 -10.509 1.00 0.00 C ATOM 1476 O PHE A 90 -4.540 3.457 -9.875 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.505 0.217 -9.672 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.718 0.992 -8.627 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.382 1.620 -7.565 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.321 1.081 -8.726 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.651 2.334 -6.606 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.593 1.795 -7.769 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.257 2.420 -6.709 1.00 0.00 C ATOM 0 H PHE A 90 -4.319 -0.261 -11.965 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.460 1.122 -9.692 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.977 -0.648 -9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.825 -0.162 -10.435 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.457 1.554 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.807 0.597 -9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.163 2.818 -5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.482 1.864 -7.849 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.694 2.970 -5.969 1.00 0.00 H new ATOM 1493 N LEU A 91 -3.113 2.725 -11.379 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.574 4.091 -11.623 1.00 0.00 C ATOM 1495 C LEU A 91 -3.750 5.067 -11.787 1.00 0.00 C ATOM 1496 O LEU A 91 -3.766 6.138 -11.213 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.710 4.058 -12.920 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.188 4.088 -12.604 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.196 3.098 -11.485 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.590 3.751 -13.883 1.00 0.00 C ATOM 0 H LEU A 91 -2.682 1.987 -11.936 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.956 4.419 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.945 3.159 -13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.967 4.910 -13.549 1.00 0.00 H new ATOM 0 HG LEU A 91 0.065 5.088 -12.251 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.269 3.156 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.343 3.353 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.066 2.085 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.660 3.769 -13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.305 2.758 -14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.359 4.486 -14.654 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.731 4.703 -12.568 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.900 5.605 -12.776 1.00 0.00 C ATOM 1514 C ALA A 92 -6.491 6.028 -11.427 1.00 0.00 C ATOM 1515 O ALA A 92 -6.583 7.202 -11.127 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.967 4.869 -13.589 1.00 0.00 C ATOM 0 H ALA A 92 -4.773 3.817 -13.072 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.571 6.495 -13.313 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.824 5.525 -13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.553 4.579 -14.555 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.285 3.978 -13.049 1.00 0.00 H new ATOM 1522 N SER A 93 -6.906 5.084 -10.616 1.00 0.00 N ATOM 1523 CA SER A 93 -7.503 5.438 -9.294 1.00 0.00 C ATOM 1524 C SER A 93 -6.664 6.522 -8.616 1.00 0.00 C ATOM 1525 O SER A 93 -7.164 7.313 -7.841 1.00 0.00 O ATOM 1526 CB SER A 93 -7.554 4.196 -8.405 1.00 0.00 C ATOM 1527 OG SER A 93 -8.262 3.163 -9.079 1.00 0.00 O ATOM 0 H SER A 93 -6.856 4.085 -10.814 1.00 0.00 H new ATOM 0 HA SER A 93 -8.514 5.815 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.544 3.864 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.044 4.431 -7.460 1.00 0.00 H new ATOM 0 HG SER A 93 -8.295 2.365 -8.512 1.00 0.00 H new ATOM 1533 N THR A 94 -5.390 6.577 -8.918 1.00 0.00 N ATOM 1534 CA THR A 94 -4.511 7.624 -8.309 1.00 0.00 C ATOM 1535 C THR A 94 -4.320 8.756 -9.322 1.00 0.00 C ATOM 1536 O THR A 94 -4.639 9.899 -9.056 1.00 0.00 O ATOM 1537 CB THR A 94 -3.151 7.016 -7.956 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.447 6.711 -9.152 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.356 5.739 -7.141 1.00 0.00 C ATOM 0 H THR A 94 -4.920 5.941 -9.562 1.00 0.00 H new ATOM 0 HA THR A 94 -4.972 8.011 -7.401 1.00 0.00 H new ATOM 0 HB THR A 94 -2.575 7.730 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.011 6.156 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.387 5.308 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.896 5.975 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.932 5.022 -7.726 1.00 0.00 H new ATOM 1547 N GLN A 95 -3.808 8.448 -10.483 1.00 0.00 N ATOM 1548 CA GLN A 95 -3.600 9.498 -11.516 1.00 0.00 C ATOM 1549 C GLN A 95 -4.862 10.366 -11.629 1.00 0.00 C ATOM 1550 O GLN A 95 -5.940 9.876 -11.902 1.00 0.00 O ATOM 1551 CB GLN A 95 -3.305 8.808 -12.864 1.00 0.00 C ATOM 1552 CG GLN A 95 -2.351 9.665 -13.695 1.00 0.00 C ATOM 1553 CD GLN A 95 -2.230 9.082 -15.104 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -2.461 7.812 -15.293 1.00 0.00 O flip ATOM 1555 NE2 GLN A 95 -1.921 9.790 -16.042 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.524 7.508 -10.760 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.762 10.138 -11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.866 7.826 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.234 8.649 -13.411 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.718 10.690 -13.745 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.371 9.700 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.741 10.783 -15.894 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.842 9.391 -16.978 1.00 0.00 H new ATOM 1564 N ARG A 96 -4.735 11.648 -11.421 1.00 0.00 N ATOM 1565 CA ARG A 96 -5.926 12.539 -11.517 1.00 0.00 C ATOM 1566 C ARG A 96 -5.478 14.001 -11.455 1.00 0.00 C ATOM 1567 O ARG A 96 -5.789 14.717 -10.525 1.00 0.00 O ATOM 1568 CB ARG A 96 -6.874 12.246 -10.350 1.00 0.00 C ATOM 1569 CG ARG A 96 -8.213 12.970 -10.566 1.00 0.00 C ATOM 1570 CD ARG A 96 -8.984 12.355 -11.748 1.00 0.00 C ATOM 1571 NE ARG A 96 -10.446 12.546 -11.530 1.00 0.00 N ATOM 1572 CZ ARG A 96 -11.280 12.376 -12.520 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -10.834 12.038 -13.699 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -12.560 12.545 -12.331 1.00 0.00 N ATOM 0 H ARG A 96 -3.859 12.117 -11.189 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.441 12.358 -12.461 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.041 11.172 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.422 12.572 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.816 12.906 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.033 14.028 -10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.679 12.826 -12.682 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.753 11.293 -11.836 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.795 12.809 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.833 11.907 -13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.486 11.905 -14.472 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.909 12.810 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.212 12.412 -13.104 1.00 0.00 H new ATOM 1588 N LYS A 97 -4.741 14.446 -12.439 1.00 0.00 N ATOM 1589 CA LYS A 97 -4.261 15.854 -12.444 1.00 0.00 C ATOM 1590 C LYS A 97 -5.405 16.799 -12.063 1.00 0.00 C ATOM 1591 O LYS A 97 -6.341 16.990 -12.813 1.00 0.00 O ATOM 1592 CB LYS A 97 -3.752 16.213 -13.841 1.00 0.00 C ATOM 1593 CG LYS A 97 -3.090 17.591 -13.806 1.00 0.00 C ATOM 1594 CD LYS A 97 -2.462 17.892 -15.167 1.00 0.00 C ATOM 1595 CE LYS A 97 -1.675 19.202 -15.089 1.00 0.00 C ATOM 1596 NZ LYS A 97 -1.102 19.518 -16.428 1.00 0.00 N ATOM 0 H LYS A 97 -4.451 13.889 -13.243 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.454 15.958 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.038 15.464 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.579 16.213 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.828 18.354 -13.558 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.327 17.620 -13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.802 17.076 -15.463 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.238 17.967 -15.929 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.327 20.011 -14.760 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.877 19.116 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.567 20.408 -16.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.467 18.749 -16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.872 19.617 -17.120 1.00 0.00 H new ATOM 1610 N GLU A 98 -5.337 17.391 -10.903 1.00 0.00 N ATOM 1611 CA GLU A 98 -6.420 18.323 -10.479 1.00 0.00 C ATOM 1612 C GLU A 98 -6.226 19.678 -11.162 1.00 0.00 C ATOM 1613 O GLU A 98 -5.796 20.636 -10.552 1.00 0.00 O ATOM 1614 CB GLU A 98 -6.370 18.506 -8.960 1.00 0.00 C ATOM 1615 CG GLU A 98 -6.767 17.198 -8.272 1.00 0.00 C ATOM 1616 CD GLU A 98 -8.269 16.968 -8.442 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -9.026 17.518 -7.658 1.00 0.00 O ATOM 1618 OE2 GLU A 98 -8.639 16.243 -9.351 1.00 0.00 O ATOM 0 H GLU A 98 -4.579 17.270 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.387 17.908 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.367 18.801 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.045 19.307 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.210 16.365 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.512 17.240 -7.213 1.00 0.00 H new ATOM 1625 N PHE A 99 -6.540 19.764 -12.426 1.00 0.00 N ATOM 1626 CA PHE A 99 -6.371 21.061 -13.148 1.00 0.00 C ATOM 1627 C PHE A 99 -7.146 22.155 -12.412 1.00 0.00 C ATOM 1628 O PHE A 99 -6.814 23.315 -12.596 1.00 0.00 O ATOM 1629 CB PHE A 99 -6.904 20.939 -14.580 1.00 0.00 C ATOM 1630 CG PHE A 99 -6.688 22.247 -15.308 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -7.676 23.242 -15.272 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -5.500 22.469 -16.019 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -7.476 24.452 -15.947 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -5.302 23.680 -16.692 1.00 0.00 C ATOM 1635 CZ PHE A 99 -6.289 24.671 -16.656 1.00 0.00 C ATOM 1636 OXT PHE A 99 -8.059 21.816 -11.676 1.00 0.00 O ATOM 0 H PHE A 99 -6.905 18.996 -12.990 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.312 21.315 -13.181 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.393 20.130 -15.103 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.965 20.689 -14.565 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.591 23.075 -14.723 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.737 21.705 -16.047 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.238 25.217 -15.921 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.387 23.850 -17.240 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.135 25.605 -17.175 1.00 0.00 H new TER 1646 PHE A 99