USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 761 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0708) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.511 F(o=-1.2,f=-0.51) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.807 K(o=0.81,f=-0.0028) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 102:sc= 0.721 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 47 HIS : no HD1:sc= -0.0343 X(o=-0.034,f=-0.034) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -40:sc= -4.32! USER MOD Single : A 60 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.8!) USER MOD Single : A 62 LYS NZ :NH3+ -110:sc= -0.397 (180deg=-3.04!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0538 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 77:sc= 1.1 USER MOD Single : A 84 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.78) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.946 -2.259 9.506 1.00 0.00 N ATOM 21 CA LEU A 2 -11.551 -2.551 8.212 1.00 0.00 C ATOM 22 C LEU A 2 -10.899 -3.773 7.571 1.00 0.00 C ATOM 23 O LEU A 2 -9.807 -4.184 7.965 1.00 0.00 O ATOM 24 CB LEU A 2 -11.428 -1.345 7.279 1.00 0.00 C ATOM 25 CG LEU A 2 -10.121 -0.557 7.403 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.700 -0.007 6.050 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.274 0.569 8.415 1.00 0.00 C ATOM 0 HA LEU A 2 -12.607 -2.766 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.530 -1.690 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.261 -0.669 7.473 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.342 -1.233 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.769 0.550 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.551 -0.831 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.477 0.655 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.336 1.119 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.066 1.244 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.530 0.151 9.389 1.00 0.00 H new ATOM 39 N LYS A 3 -11.576 -4.349 6.585 1.00 0.00 N ATOM 40 CA LYS A 3 -11.063 -5.525 5.890 1.00 0.00 C ATOM 41 C LYS A 3 -10.000 -5.135 4.869 1.00 0.00 C ATOM 42 O LYS A 3 -10.029 -4.036 4.315 1.00 0.00 O ATOM 43 CB LYS A 3 -12.204 -6.271 5.194 1.00 0.00 C ATOM 44 CG LYS A 3 -11.924 -7.750 4.986 1.00 0.00 C ATOM 45 CD LYS A 3 -11.403 -8.027 3.584 1.00 0.00 C ATOM 46 CE LYS A 3 -12.415 -7.630 2.521 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.781 -8.778 1.645 1.00 0.00 N ATOM 0 H LYS A 3 -12.481 -4.022 6.248 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.606 -6.181 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.113 -6.161 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.395 -5.806 4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.194 -8.090 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.837 -8.322 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.474 -7.479 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.168 -9.087 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.312 -7.240 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.004 -6.825 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.473 -8.465 0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.929 -9.135 1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.197 -9.537 2.222 1.00 0.00 H new ATOM 61 N LEU A 4 -9.062 -6.045 4.624 1.00 0.00 N ATOM 62 CA LEU A 4 -7.989 -5.799 3.669 1.00 0.00 C ATOM 63 C LEU A 4 -8.028 -6.819 2.534 1.00 0.00 C ATOM 64 O LEU A 4 -8.422 -7.968 2.732 1.00 0.00 O ATOM 65 CB LEU A 4 -6.630 -5.853 4.372 1.00 0.00 C ATOM 66 CG LEU A 4 -5.424 -5.573 3.473 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.344 -4.831 4.245 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.876 -6.871 2.901 1.00 0.00 C ATOM 0 H LEU A 4 -9.024 -6.959 5.074 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.132 -4.805 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.631 -5.130 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.509 -6.839 4.820 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.749 -4.942 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.494 -4.640 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.742 -3.883 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.021 -5.437 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.019 -6.654 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.567 -7.526 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.650 -7.365 2.313 1.00 0.00 H new ATOM 80 N ASN A 5 -7.616 -6.390 1.346 1.00 0.00 N ATOM 81 CA ASN A 5 -7.605 -7.266 0.180 1.00 0.00 C ATOM 82 C ASN A 5 -6.299 -7.122 -0.597 1.00 0.00 C ATOM 83 O ASN A 5 -5.406 -6.378 -0.195 1.00 0.00 O ATOM 84 CB ASN A 5 -8.794 -6.952 -0.730 1.00 0.00 C ATOM 85 CG ASN A 5 -9.506 -8.204 -1.203 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.557 -9.209 -0.494 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.063 -8.148 -2.407 1.00 0.00 N ATOM 0 H ASN A 5 -7.286 -5.442 1.165 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.686 -8.296 0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.500 -6.316 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.447 -6.386 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.558 -8.959 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.996 -7.294 -2.961 1.00 0.00 H new ATOM 94 N LEU A 6 -6.198 -7.839 -1.711 1.00 0.00 N ATOM 95 CA LEU A 6 -5.003 -7.791 -2.545 1.00 0.00 C ATOM 96 C LEU A 6 -5.358 -7.961 -4.017 1.00 0.00 C ATOM 97 O LEU A 6 -6.134 -8.845 -4.382 1.00 0.00 O ATOM 98 CB LEU A 6 -4.014 -8.877 -2.119 1.00 0.00 C ATOM 99 CG LEU A 6 -3.342 -8.647 -0.764 1.00 0.00 C ATOM 100 CD1 LEU A 6 -2.910 -9.969 -0.149 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.151 -7.713 -0.912 1.00 0.00 C ATOM 0 H LEU A 6 -6.929 -8.460 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.539 -6.814 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.538 -9.832 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.240 -8.961 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.066 -8.179 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.434 -9.784 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.783 -10.606 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.203 -10.466 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.685 -7.560 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.426 -8.154 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.487 -6.755 -1.307 1.00 0.00 H new ATOM 113 N LYS A 7 -4.788 -7.107 -4.861 1.00 0.00 N ATOM 114 CA LYS A 7 -5.044 -7.164 -6.296 1.00 0.00 C ATOM 115 C LYS A 7 -3.861 -7.774 -7.037 1.00 0.00 C ATOM 116 O LYS A 7 -2.822 -8.058 -6.442 1.00 0.00 O ATOM 117 CB LYS A 7 -5.332 -5.762 -6.838 1.00 0.00 C ATOM 118 CG LYS A 7 -6.698 -5.225 -6.440 1.00 0.00 C ATOM 119 CD LYS A 7 -7.745 -5.526 -7.499 1.00 0.00 C ATOM 120 CE LYS A 7 -8.023 -4.310 -8.370 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.340 -4.409 -9.058 1.00 0.00 N ATOM 0 H LYS A 7 -4.146 -6.367 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.916 -7.797 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.563 -5.078 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.261 -5.780 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.001 -5.667 -5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.635 -4.148 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.405 -6.352 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.668 -5.849 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.001 -3.410 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.232 -4.207 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.492 -3.561 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.352 -5.254 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.097 -4.481 -8.349 1.00 0.00 H new ATOM 135 N LYS A 8 -4.027 -7.975 -8.341 1.00 0.00 N ATOM 136 CA LYS A 8 -2.971 -8.553 -9.164 1.00 0.00 C ATOM 137 C LYS A 8 -1.761 -7.627 -9.228 1.00 0.00 C ATOM 138 O LYS A 8 -0.620 -8.084 -9.308 1.00 0.00 O ATOM 139 CB LYS A 8 -3.492 -8.828 -10.577 1.00 0.00 C ATOM 140 CG LYS A 8 -2.567 -9.702 -11.408 1.00 0.00 C ATOM 141 CD LYS A 8 -2.454 -9.198 -12.837 1.00 0.00 C ATOM 142 CE LYS A 8 -2.291 -10.346 -13.821 1.00 0.00 C ATOM 143 NZ LYS A 8 -1.115 -11.196 -13.492 1.00 0.00 N ATOM 0 H LYS A 8 -4.881 -7.746 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.662 -9.493 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.468 -9.309 -10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.640 -7.879 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.578 -9.724 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.939 -10.726 -11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.343 -8.622 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.602 -8.523 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.193 -10.958 -13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.180 -9.947 -14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.927 -11.848 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.283 -10.592 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.312 -11.743 -12.629 1.00 0.00 H new ATOM 157 N SER A 9 -2.018 -6.323 -9.191 1.00 0.00 N ATOM 158 CA SER A 9 -0.949 -5.333 -9.244 1.00 0.00 C ATOM 159 C SER A 9 -0.126 -5.349 -7.960 1.00 0.00 C ATOM 160 O SER A 9 1.106 -5.350 -8.000 1.00 0.00 O ATOM 161 CB SER A 9 -1.532 -3.936 -9.470 1.00 0.00 C ATOM 162 OG SER A 9 -1.869 -3.739 -10.833 1.00 0.00 O ATOM 0 H SER A 9 -2.956 -5.928 -9.125 1.00 0.00 H new ATOM 0 HA SER A 9 -0.294 -5.588 -10.077 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.419 -3.804 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.809 -3.182 -9.158 1.00 0.00 H new ATOM 0 HG SER A 9 -2.241 -2.840 -10.951 1.00 0.00 H new ATOM 168 N PHE A 10 -0.812 -5.363 -6.822 1.00 0.00 N ATOM 169 CA PHE A 10 -0.145 -5.379 -5.526 1.00 0.00 C ATOM 170 C PHE A 10 0.743 -6.611 -5.384 1.00 0.00 C ATOM 171 O PHE A 10 1.762 -6.578 -4.693 1.00 0.00 O ATOM 172 CB PHE A 10 -1.176 -5.349 -4.396 1.00 0.00 C ATOM 173 CG PHE A 10 -0.608 -4.913 -3.077 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.531 -3.569 -2.749 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.150 -5.849 -2.163 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.009 -3.165 -1.537 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.374 -5.450 -0.947 1.00 0.00 C ATOM 178 CZ PHE A 10 0.445 -4.108 -0.634 1.00 0.00 C ATOM 0 H PHE A 10 -1.831 -5.364 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 10 0.483 -4.491 -5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.987 -4.676 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.610 -6.343 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.884 -2.828 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.203 -6.901 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.045 -2.114 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.727 -6.188 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.855 -3.795 0.315 1.00 0.00 H new ATOM 188 N GLN A 11 0.352 -7.698 -6.042 1.00 0.00 N ATOM 189 CA GLN A 11 1.114 -8.940 -5.988 1.00 0.00 C ATOM 190 C GLN A 11 2.526 -8.739 -6.529 1.00 0.00 C ATOM 191 O GLN A 11 3.502 -9.182 -5.923 1.00 0.00 O ATOM 192 CB GLN A 11 0.401 -10.035 -6.785 1.00 0.00 C ATOM 193 CG GLN A 11 -0.812 -10.611 -6.073 1.00 0.00 C ATOM 194 CD GLN A 11 -0.463 -11.229 -4.732 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.434 -10.405 -3.690 1.00 0.00 O flip ATOM 196 NE2 GLN A 11 -0.221 -12.432 -4.633 1.00 0.00 N flip ATOM 0 H GLN A 11 -0.488 -7.743 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 11 1.186 -9.247 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.089 -9.628 -7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.106 -10.840 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.550 -9.822 -5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.276 -11.366 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.255 -13.029 -5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.013 -12.832 -3.724 1.00 0.00 H new ATOM 205 N LYS A 12 2.628 -8.068 -7.672 1.00 0.00 N ATOM 206 CA LYS A 12 3.923 -7.809 -8.294 1.00 0.00 C ATOM 207 C LYS A 12 4.694 -6.729 -7.535 1.00 0.00 C ATOM 208 O LYS A 12 5.912 -6.617 -7.655 1.00 0.00 O ATOM 209 CB LYS A 12 3.736 -7.391 -9.752 1.00 0.00 C ATOM 210 CG LYS A 12 2.759 -8.272 -10.517 1.00 0.00 C ATOM 211 CD LYS A 12 3.262 -8.580 -11.920 1.00 0.00 C ATOM 212 CE LYS A 12 3.649 -10.043 -12.065 1.00 0.00 C ATOM 213 NZ LYS A 12 2.512 -10.874 -12.548 1.00 0.00 N ATOM 0 H LYS A 12 1.831 -7.694 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 12 4.503 -8.731 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.384 -6.360 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.703 -7.413 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.605 -9.204 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.791 -7.775 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.488 -8.334 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.123 -7.951 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.483 -10.130 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.994 -10.424 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.818 -11.864 -12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.724 -10.812 -11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.199 -10.527 -13.477 1.00 0.00 H new ATOM 227 N ASP A 13 3.974 -5.939 -6.751 1.00 0.00 N ATOM 228 CA ASP A 13 4.586 -4.873 -5.967 1.00 0.00 C ATOM 229 C ASP A 13 4.993 -5.376 -4.584 1.00 0.00 C ATOM 230 O ASP A 13 5.783 -4.739 -3.888 1.00 0.00 O ATOM 231 CB ASP A 13 3.621 -3.694 -5.827 1.00 0.00 C ATOM 232 CG ASP A 13 3.279 -3.066 -7.164 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.197 -2.901 -7.995 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.093 -2.735 -7.378 1.00 0.00 O ATOM 0 H ASP A 13 2.963 -6.016 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 13 5.482 -4.542 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.705 -4.033 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.065 -2.940 -5.177 1.00 0.00 H new ATOM 239 N PHE A 14 4.439 -6.519 -4.191 1.00 0.00 N ATOM 240 CA PHE A 14 4.730 -7.106 -2.893 1.00 0.00 C ATOM 241 C PHE A 14 5.908 -8.069 -2.969 1.00 0.00 C ATOM 242 O PHE A 14 6.967 -7.809 -2.409 1.00 0.00 O ATOM 243 CB PHE A 14 3.496 -7.835 -2.355 1.00 0.00 C ATOM 244 CG PHE A 14 3.702 -8.435 -0.993 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.285 -7.695 0.022 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.312 -9.737 -0.730 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.477 -8.243 1.275 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.500 -10.291 0.522 1.00 0.00 C ATOM 249 CZ PHE A 14 4.083 -9.544 1.526 1.00 0.00 C ATOM 0 H PHE A 14 3.784 -7.057 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 14 4.998 -6.297 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.660 -7.136 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.217 -8.624 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.593 -6.678 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.856 -10.326 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.934 -7.656 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.191 -11.308 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.231 -9.975 2.505 1.00 0.00 H new ATOM 259 N ASP A 15 5.705 -9.194 -3.646 1.00 0.00 N ATOM 260 CA ASP A 15 6.741 -10.212 -3.776 1.00 0.00 C ATOM 261 C ASP A 15 7.605 -10.007 -5.020 1.00 0.00 C ATOM 262 O ASP A 15 8.820 -10.202 -4.973 1.00 0.00 O ATOM 263 CB ASP A 15 6.109 -11.604 -3.811 1.00 0.00 C ATOM 264 CG ASP A 15 7.146 -12.710 -3.808 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.931 -12.786 -2.841 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.172 -13.502 -4.774 1.00 0.00 O ATOM 0 H ASP A 15 4.829 -9.424 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 15 7.391 -10.121 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.452 -11.723 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.487 -11.695 -4.701 1.00 0.00 H new ATOM 271 N LYS A 16 6.980 -9.635 -6.136 1.00 0.00 N ATOM 272 CA LYS A 16 7.726 -9.438 -7.378 1.00 0.00 C ATOM 273 C LYS A 16 8.597 -8.189 -7.310 1.00 0.00 C ATOM 274 O LYS A 16 9.610 -8.094 -8.001 1.00 0.00 O ATOM 275 CB LYS A 16 6.777 -9.362 -8.575 1.00 0.00 C ATOM 276 CG LYS A 16 7.420 -9.779 -9.888 1.00 0.00 C ATOM 277 CD LYS A 16 7.126 -11.234 -10.215 1.00 0.00 C ATOM 278 CE LYS A 16 8.072 -12.173 -9.484 1.00 0.00 C ATOM 279 NZ LYS A 16 8.546 -13.278 -10.361 1.00 0.00 N ATOM 0 H LYS A 16 5.977 -9.466 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 16 8.382 -10.299 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.913 -9.999 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.406 -8.342 -8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.052 -9.143 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.498 -9.629 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.097 -11.468 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.215 -11.391 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.929 -11.610 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.567 -12.592 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.189 -13.895 -9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.731 -13.832 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.051 -12.880 -11.179 1.00 0.00 H new ATOM 293 N LEU A 17 8.211 -7.240 -6.463 1.00 0.00 N ATOM 294 CA LEU A 17 8.977 -6.017 -6.305 1.00 0.00 C ATOM 295 C LEU A 17 10.266 -6.309 -5.548 1.00 0.00 C ATOM 296 O LEU A 17 11.304 -5.703 -5.809 1.00 0.00 O ATOM 297 CB LEU A 17 8.156 -4.966 -5.556 1.00 0.00 C ATOM 298 CG LEU A 17 8.948 -3.763 -5.051 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.567 -3.002 -6.213 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.061 -2.848 -4.221 1.00 0.00 C ATOM 0 H LEU A 17 7.376 -7.297 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 17 9.222 -5.627 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.364 -4.609 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.671 -5.445 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 17 9.754 -4.127 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.127 -2.148 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.239 -3.661 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.779 -2.651 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.644 -1.996 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.231 -2.493 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.671 -3.398 -3.365 1.00 0.00 H new ATOM 312 N LEU A 18 10.186 -7.250 -4.611 1.00 0.00 N ATOM 313 CA LEU A 18 11.352 -7.627 -3.815 1.00 0.00 C ATOM 314 C LEU A 18 12.493 -8.092 -4.715 1.00 0.00 C ATOM 315 O LEU A 18 13.667 -7.918 -4.388 1.00 0.00 O ATOM 316 CB LEU A 18 10.993 -8.738 -2.820 1.00 0.00 C ATOM 317 CG LEU A 18 10.170 -8.305 -1.598 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.453 -6.987 -1.850 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.178 -9.395 -1.215 1.00 0.00 C ATOM 0 H LEU A 18 9.333 -7.762 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 18 11.676 -6.747 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.438 -9.510 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.917 -9.196 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 18 10.857 -8.151 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.880 -6.710 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.186 -6.210 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.779 -7.096 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.602 -9.074 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.503 -9.582 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.718 -10.310 -0.973 1.00 0.00 H new ATOM 331 N LEU A 19 12.138 -8.686 -5.852 1.00 0.00 N ATOM 332 CA LEU A 19 13.129 -9.178 -6.802 1.00 0.00 C ATOM 333 C LEU A 19 13.505 -8.105 -7.823 1.00 0.00 C ATOM 334 O LEU A 19 14.412 -8.303 -8.632 1.00 0.00 O ATOM 335 CB LEU A 19 12.599 -10.418 -7.524 1.00 0.00 C ATOM 336 CG LEU A 19 11.871 -11.427 -6.633 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.310 -12.567 -7.466 1.00 0.00 C ATOM 338 CD2 LEU A 19 12.807 -11.959 -5.558 1.00 0.00 C ATOM 0 H LEU A 19 11.170 -8.838 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 19 14.025 -9.441 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.919 -10.097 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.435 -10.922 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 19 11.039 -10.919 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.796 -13.274 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.607 -12.171 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.124 -13.075 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.274 -12.675 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.659 -12.451 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.160 -11.132 -4.942 1.00 0.00 H new ATOM 350 N ASN A 20 12.805 -6.973 -7.789 1.00 0.00 N ATOM 351 CA ASN A 20 13.075 -5.882 -8.718 1.00 0.00 C ATOM 352 C ASN A 20 13.986 -4.834 -8.085 1.00 0.00 C ATOM 353 O ASN A 20 13.933 -3.657 -8.441 1.00 0.00 O ATOM 354 CB ASN A 20 11.766 -5.230 -9.166 1.00 0.00 C ATOM 355 CG ASN A 20 11.807 -4.785 -10.615 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.940 -5.145 -11.412 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.818 -3.999 -10.965 1.00 0.00 N ATOM 0 H ASN A 20 12.049 -6.789 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 20 13.583 -6.300 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.947 -5.935 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.556 -4.370 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.898 -3.669 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.514 -3.725 -10.272 1.00 0.00 H new ATOM 364 N GLY A 21 14.824 -5.268 -7.150 1.00 0.00 N ATOM 365 CA GLY A 21 15.735 -4.355 -6.489 1.00 0.00 C ATOM 366 C GLY A 21 15.167 -3.786 -5.202 1.00 0.00 C ATOM 367 O GLY A 21 15.591 -2.724 -4.748 1.00 0.00 O ATOM 0 H GLY A 21 14.888 -6.237 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.668 -4.875 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.977 -3.537 -7.167 1.00 0.00 H new ATOM 371 N PHE A 22 14.209 -4.494 -4.610 1.00 0.00 N ATOM 372 CA PHE A 22 13.592 -4.048 -3.367 1.00 0.00 C ATOM 373 C PHE A 22 13.929 -5.001 -2.223 1.00 0.00 C ATOM 374 O PHE A 22 13.870 -6.220 -2.379 1.00 0.00 O ATOM 375 CB PHE A 22 12.073 -3.938 -3.529 1.00 0.00 C ATOM 376 CG PHE A 22 11.376 -3.437 -2.297 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.260 -4.242 -1.174 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.838 -2.159 -2.260 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.621 -3.781 -0.037 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.198 -1.694 -1.127 1.00 0.00 C ATOM 381 CZ PHE A 22 10.089 -2.506 -0.014 1.00 0.00 C ATOM 0 H PHE A 22 13.845 -5.376 -4.970 1.00 0.00 H new ATOM 0 HA PHE A 22 13.991 -3.063 -3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.851 -3.269 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.671 -4.917 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.673 -5.240 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.920 -1.520 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.538 -4.417 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.783 -0.697 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.589 -2.145 0.872 1.00 0.00 H new ATOM 391 N ASP A 23 14.284 -4.433 -1.075 1.00 0.00 N ATOM 392 CA ASP A 23 14.632 -5.229 0.098 1.00 0.00 C ATOM 393 C ASP A 23 13.414 -5.441 0.994 1.00 0.00 C ATOM 394 O ASP A 23 12.796 -4.482 1.454 1.00 0.00 O ATOM 395 CB ASP A 23 15.749 -4.546 0.890 1.00 0.00 C ATOM 396 CG ASP A 23 16.496 -5.513 1.786 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.895 -6.525 2.200 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.685 -5.257 2.075 1.00 0.00 O ATOM 0 H ASP A 23 14.338 -3.425 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 23 14.982 -6.203 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.450 -4.081 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.324 -3.747 1.497 1.00 0.00 H new ATOM 403 N ASP A 24 13.077 -6.704 1.234 1.00 0.00 N ATOM 404 CA ASP A 24 11.934 -7.045 2.075 1.00 0.00 C ATOM 405 C ASP A 24 12.077 -6.456 3.476 1.00 0.00 C ATOM 406 O ASP A 24 11.089 -6.306 4.197 1.00 0.00 O ATOM 407 CB ASP A 24 11.779 -8.564 2.163 1.00 0.00 C ATOM 408 CG ASP A 24 13.036 -9.246 2.666 1.00 0.00 C ATOM 409 OD1 ASP A 24 13.904 -9.579 1.831 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.153 -9.447 3.893 1.00 0.00 O ATOM 0 H ASP A 24 13.579 -7.509 0.858 1.00 0.00 H new ATOM 0 HA ASP A 24 11.043 -6.616 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.949 -8.804 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.524 -8.958 1.179 1.00 0.00 H new ATOM 415 N SER A 25 13.307 -6.125 3.860 1.00 0.00 N ATOM 416 CA SER A 25 13.573 -5.555 5.178 1.00 0.00 C ATOM 417 C SER A 25 12.648 -4.375 5.466 1.00 0.00 C ATOM 418 O SER A 25 11.943 -4.360 6.475 1.00 0.00 O ATOM 419 CB SER A 25 15.032 -5.106 5.275 1.00 0.00 C ATOM 420 OG SER A 25 15.231 -4.252 6.388 1.00 0.00 O ATOM 0 H SER A 25 14.136 -6.242 3.277 1.00 0.00 H new ATOM 0 HA SER A 25 13.383 -6.329 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.679 -5.979 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.318 -4.588 4.360 1.00 0.00 H new ATOM 0 HG SER A 25 16.172 -3.981 6.428 1.00 0.00 H new ATOM 426 N VAL A 26 12.658 -3.391 4.575 1.00 0.00 N ATOM 427 CA VAL A 26 11.821 -2.208 4.735 1.00 0.00 C ATOM 428 C VAL A 26 10.342 -2.560 4.602 1.00 0.00 C ATOM 429 O VAL A 26 9.491 -1.976 5.272 1.00 0.00 O ATOM 430 CB VAL A 26 12.174 -1.125 3.696 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.388 0.150 3.962 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.670 -0.850 3.699 1.00 0.00 C ATOM 0 H VAL A 26 13.236 -3.389 3.735 1.00 0.00 H new ATOM 0 HA VAL A 26 12.012 -1.818 5.735 1.00 0.00 H new ATOM 0 HB VAL A 26 11.898 -1.493 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.651 0.902 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.320 -0.061 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.628 0.525 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.900 -0.083 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.974 -0.505 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.209 -1.765 3.453 1.00 0.00 H new ATOM 442 N LEU A 27 10.047 -3.518 3.732 1.00 0.00 N ATOM 443 CA LEU A 27 8.676 -3.954 3.506 1.00 0.00 C ATOM 444 C LEU A 27 8.084 -4.558 4.779 1.00 0.00 C ATOM 445 O LEU A 27 6.876 -4.487 5.007 1.00 0.00 O ATOM 446 CB LEU A 27 8.637 -4.970 2.356 1.00 0.00 C ATOM 447 CG LEU A 27 7.480 -5.970 2.394 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.146 -5.248 2.298 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.621 -6.988 1.273 1.00 0.00 C ATOM 0 H LEU A 27 10.742 -4.009 3.170 1.00 0.00 H new ATOM 0 HA LEU A 27 8.072 -3.089 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.590 -4.423 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.574 -5.526 2.355 1.00 0.00 H new ATOM 0 HG LEU A 27 7.513 -6.500 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.335 -5.976 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.044 -4.559 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.100 -4.691 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.790 -7.692 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.614 -6.474 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.560 -7.529 1.388 1.00 0.00 H new ATOM 461 N ASN A 28 8.942 -5.151 5.603 1.00 0.00 N ATOM 462 CA ASN A 28 8.505 -5.767 6.850 1.00 0.00 C ATOM 463 C ASN A 28 7.919 -4.728 7.804 1.00 0.00 C ATOM 464 O ASN A 28 7.139 -5.065 8.694 1.00 0.00 O ATOM 465 CB ASN A 28 9.674 -6.490 7.522 1.00 0.00 C ATOM 466 CG ASN A 28 9.212 -7.521 8.533 1.00 0.00 C ATOM 467 OD1 ASN A 28 8.065 -7.965 8.504 1.00 0.00 O ATOM 468 ND2 ASN A 28 10.107 -7.905 9.436 1.00 0.00 N ATOM 0 H ASN A 28 9.945 -5.218 5.429 1.00 0.00 H new ATOM 0 HA ASN A 28 7.725 -6.490 6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.281 -6.979 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.313 -5.759 8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.854 -8.595 10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.047 -7.510 9.422 1.00 0.00 H new ATOM 475 N GLU A 29 8.301 -3.469 7.615 1.00 0.00 N ATOM 476 CA GLU A 29 7.811 -2.387 8.464 1.00 0.00 C ATOM 477 C GLU A 29 6.492 -1.824 7.941 1.00 0.00 C ATOM 478 O GLU A 29 5.762 -1.151 8.671 1.00 0.00 O ATOM 479 CB GLU A 29 8.855 -1.271 8.550 1.00 0.00 C ATOM 480 CG GLU A 29 10.145 -1.694 9.232 1.00 0.00 C ATOM 481 CD GLU A 29 10.672 -0.643 10.189 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.906 -0.209 11.075 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.851 -0.255 10.054 1.00 0.00 O ATOM 0 H GLU A 29 8.947 -3.172 6.883 1.00 0.00 H new ATOM 0 HA GLU A 29 7.635 -2.796 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.084 -0.921 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.428 -0.427 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.976 -2.623 9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.901 -1.901 8.474 1.00 0.00 H new ATOM 490 N VAL A 30 6.190 -2.095 6.675 1.00 0.00 N ATOM 491 CA VAL A 30 4.961 -1.608 6.058 1.00 0.00 C ATOM 492 C VAL A 30 3.813 -2.603 6.228 1.00 0.00 C ATOM 493 O VAL A 30 2.850 -2.343 6.950 1.00 0.00 O ATOM 494 CB VAL A 30 5.167 -1.331 4.558 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.882 -0.831 3.914 1.00 0.00 C ATOM 496 CG2 VAL A 30 6.296 -0.332 4.352 1.00 0.00 C ATOM 0 H VAL A 30 6.780 -2.650 6.056 1.00 0.00 H new ATOM 0 HA VAL A 30 4.701 -0.679 6.566 1.00 0.00 H new ATOM 0 HB VAL A 30 5.442 -2.268 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.055 -0.643 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.102 -1.584 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.567 0.093 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.428 -0.147 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.050 0.604 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.219 -0.736 4.768 1.00 0.00 H new ATOM 506 N ILE A 31 3.918 -3.734 5.539 1.00 0.00 N ATOM 507 CA ILE A 31 2.890 -4.771 5.582 1.00 0.00 C ATOM 508 C ILE A 31 2.470 -5.111 7.014 1.00 0.00 C ATOM 509 O ILE A 31 1.280 -5.256 7.298 1.00 0.00 O ATOM 510 CB ILE A 31 3.370 -6.048 4.846 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.750 -6.111 3.448 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.037 -7.313 5.630 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.084 -4.911 2.586 1.00 0.00 C ATOM 0 H ILE A 31 4.712 -3.958 4.939 1.00 0.00 H new ATOM 0 HA ILE A 31 2.014 -4.373 5.071 1.00 0.00 H new ATOM 0 HB ILE A 31 4.455 -5.994 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.094 -7.016 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.667 -6.191 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.390 -8.185 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.525 -7.276 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.958 -7.383 5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.612 -5.022 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.716 -4.004 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.165 -4.842 2.461 1.00 0.00 H new ATOM 525 N LEU A 32 3.442 -5.247 7.911 1.00 0.00 N ATOM 526 CA LEU A 32 3.144 -5.583 9.300 1.00 0.00 C ATOM 527 C LEU A 32 2.267 -4.517 9.961 1.00 0.00 C ATOM 528 O LEU A 32 1.678 -4.757 11.012 1.00 0.00 O ATOM 529 CB LEU A 32 4.442 -5.790 10.097 1.00 0.00 C ATOM 530 CG LEU A 32 4.886 -4.614 10.972 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.105 -4.996 11.799 1.00 0.00 C ATOM 532 CD2 LEU A 32 5.182 -3.396 10.115 1.00 0.00 C ATOM 0 H LEU A 32 4.434 -5.131 7.704 1.00 0.00 H new ATOM 0 HA LEU A 32 2.583 -6.517 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.318 -6.665 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.244 -6.018 9.395 1.00 0.00 H new ATOM 0 HG LEU A 32 4.073 -4.364 11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.407 -4.149 12.415 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.859 -5.842 12.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.924 -5.272 11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.496 -2.570 10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.978 -3.633 9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.284 -3.110 9.567 1.00 0.00 H new ATOM 544 N THR A 33 2.181 -3.340 9.344 1.00 0.00 N ATOM 545 CA THR A 33 1.370 -2.254 9.889 1.00 0.00 C ATOM 546 C THR A 33 -0.059 -2.315 9.353 1.00 0.00 C ATOM 547 O THR A 33 -1.012 -2.005 10.066 1.00 0.00 O ATOM 548 CB THR A 33 1.995 -0.899 9.547 1.00 0.00 C ATOM 549 OG1 THR A 33 3.312 -0.810 10.063 1.00 0.00 O ATOM 550 CG2 THR A 33 1.212 0.277 10.090 1.00 0.00 C ATOM 0 H THR A 33 2.660 -3.115 8.472 1.00 0.00 H new ATOM 0 HA THR A 33 1.338 -2.370 10.972 1.00 0.00 H new ATOM 0 HB THR A 33 1.991 -0.847 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.957 -0.962 9.341 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.710 1.206 9.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.205 0.267 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.157 0.207 11.176 1.00 0.00 H new ATOM 558 N LEU A 34 -0.198 -2.708 8.090 1.00 0.00 N ATOM 559 CA LEU A 34 -1.509 -2.800 7.456 1.00 0.00 C ATOM 560 C LEU A 34 -2.203 -4.114 7.804 1.00 0.00 C ATOM 561 O LEU A 34 -3.431 -4.184 7.850 1.00 0.00 O ATOM 562 CB LEU A 34 -1.370 -2.674 5.938 1.00 0.00 C ATOM 563 CG LEU A 34 -0.652 -1.412 5.457 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.363 -1.500 3.967 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.481 -0.176 5.770 1.00 0.00 C ATOM 0 H LEU A 34 0.581 -2.968 7.486 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.121 -1.981 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.832 -3.545 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.365 -2.699 5.494 1.00 0.00 H new ATOM 0 HG LEU A 34 0.297 -1.331 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.148 -0.594 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.270 -2.365 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.300 -1.604 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.955 0.713 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.445 -0.248 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.637 -0.106 6.846 1.00 0.00 H new ATOM 577 N ARG A 35 -1.410 -5.154 8.043 1.00 0.00 N ATOM 578 CA ARG A 35 -1.952 -6.466 8.381 1.00 0.00 C ATOM 579 C ARG A 35 -2.020 -6.668 9.893 1.00 0.00 C ATOM 580 O ARG A 35 -2.086 -7.799 10.374 1.00 0.00 O ATOM 581 CB ARG A 35 -1.103 -7.567 7.744 1.00 0.00 C ATOM 582 CG ARG A 35 -0.819 -7.336 6.270 1.00 0.00 C ATOM 583 CD ARG A 35 -0.703 -8.647 5.510 1.00 0.00 C ATOM 584 NE ARG A 35 -0.737 -8.448 4.065 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.576 -9.425 3.176 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.366 -10.671 3.582 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.623 -9.156 1.879 1.00 0.00 N ATOM 0 H ARG A 35 -0.391 -5.114 8.009 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.967 -6.520 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.157 -7.642 8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.613 -8.523 7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.616 -6.732 5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.106 -6.769 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.227 -9.144 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.517 -9.309 5.804 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.894 -7.503 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.327 -10.883 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.243 -11.417 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.783 -8.200 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.500 -9.905 1.198 1.00 0.00 H new ATOM 601 N LYS A 36 -2.002 -5.567 10.639 1.00 0.00 N ATOM 602 CA LYS A 36 -2.058 -5.630 12.096 1.00 0.00 C ATOM 603 C LYS A 36 -3.184 -4.759 12.639 1.00 0.00 C ATOM 604 O LYS A 36 -3.117 -4.276 13.770 1.00 0.00 O ATOM 605 CB LYS A 36 -0.734 -5.174 12.687 1.00 0.00 C ATOM 606 CG LYS A 36 0.208 -6.319 13.021 1.00 0.00 C ATOM 607 CD LYS A 36 0.196 -6.634 14.509 1.00 0.00 C ATOM 608 CE LYS A 36 1.504 -6.226 15.171 1.00 0.00 C ATOM 609 NZ LYS A 36 1.919 -7.191 16.226 1.00 0.00 N ATOM 0 H LYS A 36 -1.949 -4.622 10.259 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.251 -6.664 12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.242 -4.504 11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.928 -4.598 13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.082 -7.206 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.221 -6.061 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.634 -6.113 14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.029 -7.701 14.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.287 -6.156 14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.395 -5.234 15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.814 -6.876 16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.184 -7.239 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.049 -8.133 15.804 1.00 0.00 H new ATOM 623 N LYS A 37 -4.206 -4.562 11.822 1.00 0.00 N ATOM 624 CA LYS A 37 -5.359 -3.746 12.200 1.00 0.00 C ATOM 625 C LYS A 37 -4.918 -2.419 12.816 1.00 0.00 C ATOM 626 O LYS A 37 -5.336 -2.062 13.918 1.00 0.00 O ATOM 627 CB LYS A 37 -6.260 -4.510 13.176 1.00 0.00 C ATOM 628 CG LYS A 37 -5.563 -4.926 14.463 1.00 0.00 C ATOM 629 CD LYS A 37 -6.554 -5.461 15.486 1.00 0.00 C ATOM 630 CE LYS A 37 -6.355 -6.949 15.730 1.00 0.00 C ATOM 631 NZ LYS A 37 -7.636 -7.633 16.057 1.00 0.00 N ATOM 0 H LYS A 37 -4.264 -4.958 10.884 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.926 -3.528 11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.119 -3.887 13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.645 -5.400 12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.817 -5.690 14.243 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.031 -4.072 14.882 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.438 -4.919 16.424 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.571 -5.281 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.915 -7.407 14.844 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.648 -7.092 16.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.458 -8.645 16.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.044 -7.214 16.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.302 -7.519 15.267 1.00 0.00 H new ATOM 645 N GLU A 38 -4.072 -1.694 12.092 1.00 0.00 N ATOM 646 CA GLU A 38 -3.572 -0.406 12.561 1.00 0.00 C ATOM 647 C GLU A 38 -3.773 0.672 11.496 1.00 0.00 C ATOM 648 O GLU A 38 -3.023 0.738 10.523 1.00 0.00 O ATOM 649 CB GLU A 38 -2.090 -0.514 12.919 1.00 0.00 C ATOM 650 CG GLU A 38 -1.553 0.700 13.660 1.00 0.00 C ATOM 651 CD GLU A 38 -0.422 0.351 14.609 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.379 -0.545 14.273 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.340 0.973 15.688 1.00 0.00 O ATOM 0 H GLU A 38 -3.718 -1.976 11.178 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.135 -0.124 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.937 -1.401 13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.513 -0.656 12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.202 1.436 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.363 1.166 14.221 1.00 0.00 H new ATOM 660 N PRO A 39 -4.792 1.536 11.665 1.00 0.00 N ATOM 661 CA PRO A 39 -5.079 2.609 10.708 1.00 0.00 C ATOM 662 C PRO A 39 -3.995 3.681 10.697 1.00 0.00 C ATOM 663 O PRO A 39 -3.516 4.104 11.750 1.00 0.00 O ATOM 664 CB PRO A 39 -6.405 3.191 11.207 1.00 0.00 C ATOM 665 CG PRO A 39 -6.447 2.853 12.657 1.00 0.00 C ATOM 666 CD PRO A 39 -5.740 1.534 12.794 1.00 0.00 C ATOM 0 HA PRO A 39 -5.122 2.239 9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.448 4.269 11.051 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.252 2.758 10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.956 3.623 13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.475 2.784 13.012 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.225 1.452 13.751 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.436 0.697 12.733 1.00 0.00 H new ATOM 674 N LEU A 40 -3.614 4.117 9.501 1.00 0.00 N ATOM 675 CA LEU A 40 -2.587 5.141 9.353 1.00 0.00 C ATOM 676 C LEU A 40 -3.127 6.515 9.733 1.00 0.00 C ATOM 677 O LEU A 40 -4.336 6.744 9.719 1.00 0.00 O ATOM 678 CB LEU A 40 -2.065 5.163 7.915 1.00 0.00 C ATOM 679 CG LEU A 40 -1.819 3.785 7.294 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.909 3.449 6.287 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.448 3.730 6.634 1.00 0.00 C ATOM 0 H LEU A 40 -4.001 3.777 8.621 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.766 4.897 10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.780 5.703 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.133 5.727 7.892 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.846 3.042 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.716 2.466 5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.877 3.443 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.915 4.197 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.293 2.743 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.391 4.485 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.323 3.923 7.380 1.00 0.00 H new ATOM 693 N ASP A 41 -2.222 7.428 10.072 1.00 0.00 N ATOM 694 CA ASP A 41 -2.607 8.780 10.458 1.00 0.00 C ATOM 695 C ASP A 41 -2.895 9.639 9.229 1.00 0.00 C ATOM 696 O ASP A 41 -2.523 9.282 8.110 1.00 0.00 O ATOM 697 CB ASP A 41 -1.503 9.426 11.299 1.00 0.00 C ATOM 698 CG ASP A 41 -1.741 9.266 12.787 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.037 8.133 13.223 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.630 10.273 13.519 1.00 0.00 O ATOM 0 H ASP A 41 -1.217 7.255 10.087 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.518 8.715 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.543 8.980 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.439 10.487 11.056 1.00 0.00 H new ATOM 705 N PRO A 42 -3.564 10.790 9.421 1.00 0.00 N ATOM 706 CA PRO A 42 -3.900 11.702 8.322 1.00 0.00 C ATOM 707 C PRO A 42 -2.665 12.359 7.710 1.00 0.00 C ATOM 708 O PRO A 42 -2.739 12.953 6.635 1.00 0.00 O ATOM 709 CB PRO A 42 -4.790 12.753 8.988 1.00 0.00 C ATOM 710 CG PRO A 42 -4.411 12.719 10.427 1.00 0.00 C ATOM 711 CD PRO A 42 -4.042 11.291 10.723 1.00 0.00 C ATOM 0 HA PRO A 42 -4.381 11.179 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.624 13.741 8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.846 12.520 8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.574 13.388 10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.238 13.047 11.057 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.269 11.225 11.488 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.898 10.721 11.085 1.00 0.00 H new ATOM 719 N GLN A 43 -1.532 12.248 8.399 1.00 0.00 N ATOM 720 CA GLN A 43 -0.286 12.832 7.915 1.00 0.00 C ATOM 721 C GLN A 43 0.453 11.875 6.981 1.00 0.00 C ATOM 722 O GLN A 43 1.589 12.139 6.584 1.00 0.00 O ATOM 723 CB GLN A 43 0.616 13.205 9.095 1.00 0.00 C ATOM 724 CG GLN A 43 0.009 14.253 10.017 1.00 0.00 C ATOM 725 CD GLN A 43 0.851 15.511 10.106 1.00 0.00 C ATOM 726 OE1 GLN A 43 1.495 15.769 11.122 1.00 0.00 O ATOM 727 NE2 GLN A 43 0.851 16.301 9.039 1.00 0.00 N ATOM 0 H GLN A 43 -1.452 11.760 9.291 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.537 13.731 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.834 12.307 9.673 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.566 13.576 8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.988 14.512 9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.110 13.829 11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.302 16.048 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.400 17.161 9.041 1.00 0.00 H new ATOM 736 N PHE A 44 -0.192 10.764 6.632 1.00 0.00 N ATOM 737 CA PHE A 44 0.413 9.777 5.744 1.00 0.00 C ATOM 738 C PHE A 44 0.017 10.029 4.290 1.00 0.00 C ATOM 739 O PHE A 44 0.208 9.167 3.431 1.00 0.00 O ATOM 740 CB PHE A 44 -0.005 8.366 6.161 1.00 0.00 C ATOM 741 CG PHE A 44 0.736 7.852 7.363 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.802 8.601 8.528 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.365 6.618 7.329 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.483 8.130 9.634 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.047 6.141 8.433 1.00 0.00 C ATOM 746 CZ PHE A 44 2.105 6.898 9.586 1.00 0.00 C ATOM 0 H PHE A 44 -1.131 10.526 6.950 1.00 0.00 H new ATOM 0 HA PHE A 44 1.496 9.870 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.074 8.360 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.158 7.685 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.315 9.564 8.571 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.322 6.022 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.529 8.724 10.535 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.534 5.178 8.393 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.636 6.527 10.450 1.00 0.00 H new ATOM 756 N GLN A 45 -0.533 11.209 4.018 1.00 0.00 N ATOM 757 CA GLN A 45 -0.951 11.563 2.666 1.00 0.00 C ATOM 758 C GLN A 45 -1.983 10.574 2.135 1.00 0.00 C ATOM 759 O GLN A 45 -1.965 10.212 0.959 1.00 0.00 O ATOM 760 CB GLN A 45 0.259 11.609 1.732 1.00 0.00 C ATOM 761 CG GLN A 45 1.248 12.711 2.070 1.00 0.00 C ATOM 762 CD GLN A 45 0.768 14.080 1.631 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.444 14.291 0.462 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.719 15.020 2.568 1.00 0.00 N ATOM 0 H GLN A 45 -0.699 11.935 4.715 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.411 12.551 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.772 10.648 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.088 11.746 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.423 12.719 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.204 12.495 1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.997 14.801 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.403 15.961 2.331 1.00 0.00 H new ATOM 773 N ASP A 46 -2.884 10.141 3.011 1.00 0.00 N ATOM 774 CA ASP A 46 -3.925 9.193 2.631 1.00 0.00 C ATOM 775 C ASP A 46 -5.111 9.913 1.995 1.00 0.00 C ATOM 776 O ASP A 46 -6.127 10.151 2.646 1.00 0.00 O ATOM 777 CB ASP A 46 -4.393 8.399 3.851 1.00 0.00 C ATOM 778 CG ASP A 46 -4.921 9.294 4.956 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.511 10.473 5.011 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.742 8.815 5.767 1.00 0.00 O ATOM 0 H ASP A 46 -2.914 10.431 3.988 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.503 8.505 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.173 7.701 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.564 7.804 4.234 1.00 0.00 H new ATOM 785 N HIS A 47 -4.972 10.256 0.719 1.00 0.00 N ATOM 786 CA HIS A 47 -6.031 10.949 -0.005 1.00 0.00 C ATOM 787 C HIS A 47 -6.201 10.372 -1.406 1.00 0.00 C ATOM 788 O HIS A 47 -5.447 9.492 -1.823 1.00 0.00 O ATOM 789 CB HIS A 47 -5.727 12.445 -0.090 1.00 0.00 C ATOM 790 CG HIS A 47 -5.605 13.107 1.248 1.00 0.00 C ATOM 791 ND1 HIS A 47 -6.694 13.412 2.038 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.516 13.521 1.937 1.00 0.00 C ATOM 793 CE1 HIS A 47 -6.279 13.985 3.154 1.00 0.00 C ATOM 794 NE2 HIS A 47 -4.962 14.064 3.116 1.00 0.00 N ATOM 0 H HIS A 47 -4.137 10.066 0.165 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.963 10.806 0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.799 12.588 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.516 12.936 -0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.487 13.439 1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -6.910 14.330 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.371 14.464 3.845 1.00 0.00 H new ATOM 803 N ALA A 48 -7.196 10.875 -2.132 1.00 0.00 N ATOM 804 CA ALA A 48 -7.465 10.407 -3.486 1.00 0.00 C ATOM 805 C ALA A 48 -6.446 10.966 -4.474 1.00 0.00 C ATOM 806 O ALA A 48 -5.886 12.042 -4.260 1.00 0.00 O ATOM 807 CB ALA A 48 -8.875 10.794 -3.906 1.00 0.00 C ATOM 0 H ALA A 48 -7.828 11.606 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.379 9.320 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.063 10.439 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.595 10.342 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.979 11.879 -3.877 1.00 0.00 H new ATOM 813 N LEU A 49 -6.212 10.230 -5.555 1.00 0.00 N ATOM 814 CA LEU A 49 -5.262 10.651 -6.577 1.00 0.00 C ATOM 815 C LEU A 49 -5.981 11.337 -7.735 1.00 0.00 C ATOM 816 O LEU A 49 -7.197 11.525 -7.697 1.00 0.00 O ATOM 817 CB LEU A 49 -4.465 9.450 -7.090 1.00 0.00 C ATOM 818 CG LEU A 49 -3.168 9.163 -6.334 1.00 0.00 C ATOM 819 CD1 LEU A 49 -2.716 7.730 -6.575 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.080 10.142 -6.750 1.00 0.00 C ATOM 0 H LEU A 49 -6.668 9.338 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.573 11.366 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.099 8.565 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.226 9.614 -8.141 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.356 9.290 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.791 7.544 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.487 7.042 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.546 7.577 -7.641 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.164 9.923 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.894 10.046 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.401 11.159 -6.527 1.00 0.00 H new ATOM 832 N LYS A 50 -5.223 11.705 -8.763 1.00 0.00 N ATOM 833 CA LYS A 50 -5.792 12.370 -9.930 1.00 0.00 C ATOM 834 C LYS A 50 -5.240 11.772 -11.220 1.00 0.00 C ATOM 835 O LYS A 50 -4.150 11.200 -11.238 1.00 0.00 O ATOM 836 CB LYS A 50 -5.498 13.870 -9.883 1.00 0.00 C ATOM 837 CG LYS A 50 -5.859 14.520 -8.557 1.00 0.00 C ATOM 838 CD LYS A 50 -6.604 15.830 -8.759 1.00 0.00 C ATOM 839 CE LYS A 50 -6.334 16.806 -7.626 1.00 0.00 C ATOM 840 NZ LYS A 50 -7.210 18.007 -7.708 1.00 0.00 N ATOM 0 H LYS A 50 -4.215 11.554 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.871 12.218 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.438 14.030 -10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.049 14.365 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.475 13.837 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.951 14.702 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.303 16.278 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.674 15.634 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.492 16.306 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.289 17.116 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.995 18.648 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.041 18.499 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.206 17.714 -7.655 1.00 0.00 H new ATOM 854 N GLY A 51 -6.002 11.911 -12.301 1.00 0.00 N ATOM 855 CA GLY A 51 -5.576 11.382 -13.583 1.00 0.00 C ATOM 856 C GLY A 51 -5.374 9.888 -13.558 1.00 0.00 C ATOM 857 O GLY A 51 -4.395 9.397 -12.998 1.00 0.00 O ATOM 0 H GLY A 51 -6.907 12.381 -12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.320 11.631 -14.340 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.645 11.865 -13.880 1.00 0.00 H new ATOM 861 N LYS A 52 -6.298 9.169 -14.170 1.00 0.00 N ATOM 862 CA LYS A 52 -6.230 7.712 -14.226 1.00 0.00 C ATOM 863 C LYS A 52 -6.474 7.097 -12.848 1.00 0.00 C ATOM 864 O LYS A 52 -7.249 6.151 -12.712 1.00 0.00 O ATOM 865 CB LYS A 52 -4.870 7.259 -14.769 1.00 0.00 C ATOM 866 CG LYS A 52 -4.974 6.331 -15.970 1.00 0.00 C ATOM 867 CD LYS A 52 -4.721 4.883 -15.579 1.00 0.00 C ATOM 868 CE LYS A 52 -4.720 3.969 -16.796 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.440 3.219 -16.924 1.00 0.00 N ATOM 0 H LYS A 52 -7.110 9.569 -14.639 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.014 7.366 -14.900 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.288 8.138 -15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.321 6.752 -13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.965 6.421 -16.416 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.254 6.635 -16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.763 4.806 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.488 4.555 -14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.548 3.264 -16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.885 4.562 -17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.478 2.608 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.652 3.891 -17.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.294 2.634 -16.077 1.00 0.00 H new ATOM 883 N TRP A 53 -5.809 7.637 -11.830 1.00 0.00 N ATOM 884 CA TRP A 53 -5.958 7.134 -10.470 1.00 0.00 C ATOM 885 C TRP A 53 -6.917 8.005 -9.667 1.00 0.00 C ATOM 886 O TRP A 53 -6.752 8.177 -8.459 1.00 0.00 O ATOM 887 CB TRP A 53 -4.597 7.076 -9.774 1.00 0.00 C ATOM 888 CG TRP A 53 -3.551 6.364 -10.575 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.484 6.925 -11.213 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.473 4.956 -10.824 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.746 5.953 -11.845 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.333 4.735 -11.621 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.256 3.859 -10.450 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.958 3.465 -12.049 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.882 2.598 -10.877 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.743 2.411 -11.668 1.00 0.00 C ATOM 0 H TRP A 53 -5.163 8.421 -11.922 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.373 6.128 -10.526 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.258 8.091 -9.568 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.710 6.577 -8.812 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.253 7.980 -11.220 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.900 6.112 -12.392 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.136 3.994 -9.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.080 3.317 -12.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.479 1.743 -10.595 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.478 1.413 -11.985 1.00 0.00 H new ATOM 907 N LYS A 54 -7.920 8.554 -10.342 1.00 0.00 N ATOM 908 CA LYS A 54 -8.904 9.409 -9.686 1.00 0.00 C ATOM 909 C LYS A 54 -9.827 8.588 -8.789 1.00 0.00 C ATOM 910 O LYS A 54 -10.018 8.916 -7.618 1.00 0.00 O ATOM 911 CB LYS A 54 -9.723 10.177 -10.726 1.00 0.00 C ATOM 912 CG LYS A 54 -9.952 11.637 -10.364 1.00 0.00 C ATOM 913 CD LYS A 54 -11.398 11.900 -9.977 1.00 0.00 C ATOM 914 CE LYS A 54 -11.561 12.008 -8.469 1.00 0.00 C ATOM 915 NZ LYS A 54 -12.843 12.669 -8.094 1.00 0.00 N ATOM 0 H LYS A 54 -8.074 8.423 -11.342 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.368 10.125 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.213 10.126 -11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.688 9.686 -10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.298 11.914 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.681 12.269 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.740 12.822 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.029 11.096 -10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.524 11.012 -8.028 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.726 12.573 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.916 12.723 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.868 13.629 -8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.641 12.117 -8.469 1.00 0.00 H new ATOM 929 N PRO A 55 -10.415 7.502 -9.324 1.00 0.00 N ATOM 930 CA PRO A 55 -11.317 6.635 -8.561 1.00 0.00 C ATOM 931 C PRO A 55 -10.588 5.849 -7.473 1.00 0.00 C ATOM 932 O PRO A 55 -11.218 5.172 -6.661 1.00 0.00 O ATOM 933 CB PRO A 55 -11.891 5.675 -9.616 1.00 0.00 C ATOM 934 CG PRO A 55 -11.512 6.255 -10.938 1.00 0.00 C ATOM 935 CD PRO A 55 -10.250 7.029 -10.706 1.00 0.00 C ATOM 0 HA PRO A 55 -12.078 7.214 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.482 4.672 -9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.974 5.591 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -11.357 5.470 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.301 6.902 -11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.364 6.404 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.147 7.856 -11.408 1.00 0.00 H new ATOM 943 N PHE A 56 -9.259 5.938 -7.461 1.00 0.00 N ATOM 944 CA PHE A 56 -8.456 5.228 -6.472 1.00 0.00 C ATOM 945 C PHE A 56 -7.985 6.170 -5.370 1.00 0.00 C ATOM 946 O PHE A 56 -8.260 7.369 -5.402 1.00 0.00 O ATOM 947 CB PHE A 56 -7.250 4.569 -7.143 1.00 0.00 C ATOM 948 CG PHE A 56 -7.623 3.603 -8.231 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.921 4.057 -9.506 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.675 2.241 -7.979 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.265 3.171 -10.510 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.019 1.351 -8.979 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.313 1.816 -10.246 1.00 0.00 C ATOM 0 H PHE A 56 -8.718 6.494 -8.124 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.081 4.457 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.608 5.345 -7.561 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.665 4.045 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.884 5.115 -9.718 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.444 1.871 -6.991 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.496 3.538 -11.499 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.058 0.292 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.580 1.121 -11.029 1.00 0.00 H new ATOM 963 N ARG A 57 -7.271 5.617 -4.393 1.00 0.00 N ATOM 964 CA ARG A 57 -6.759 6.405 -3.277 1.00 0.00 C ATOM 965 C ARG A 57 -5.323 6.005 -2.947 1.00 0.00 C ATOM 966 O ARG A 57 -4.953 4.836 -3.054 1.00 0.00 O ATOM 967 CB ARG A 57 -7.648 6.221 -2.047 1.00 0.00 C ATOM 968 CG ARG A 57 -7.234 7.082 -0.864 1.00 0.00 C ATOM 969 CD ARG A 57 -8.260 8.167 -0.575 1.00 0.00 C ATOM 970 NE ARG A 57 -9.362 7.672 0.246 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.240 7.346 1.531 1.00 0.00 C ATOM 972 NH1 ARG A 57 -8.069 7.461 2.143 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.294 6.905 2.204 1.00 0.00 N ATOM 0 H ARG A 57 -7.034 4.626 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.768 7.455 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.678 6.457 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.628 5.173 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.110 6.454 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.266 7.540 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.774 8.999 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.653 8.554 -1.515 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.278 7.570 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.256 7.801 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.981 7.210 3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.196 6.816 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.202 6.655 3.189 1.00 0.00 H new ATOM 987 N GLU A 58 -4.519 6.985 -2.547 1.00 0.00 N ATOM 988 CA GLU A 58 -3.123 6.733 -2.203 1.00 0.00 C ATOM 989 C GLU A 58 -2.908 6.815 -0.693 1.00 0.00 C ATOM 990 O GLU A 58 -3.783 7.269 0.045 1.00 0.00 O ATOM 991 CB GLU A 58 -2.212 7.733 -2.917 1.00 0.00 C ATOM 992 CG GLU A 58 -1.015 7.087 -3.596 1.00 0.00 C ATOM 993 CD GLU A 58 0.071 8.087 -3.943 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.515 8.818 -3.033 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.475 8.139 -5.123 1.00 0.00 O ATOM 0 H GLU A 58 -4.809 7.959 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.871 5.725 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.794 8.274 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.857 8.468 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.601 6.320 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.345 6.585 -4.506 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.737 6.375 -0.244 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.404 6.400 1.175 1.00 0.00 C ATOM 1004 C CYS A 59 0.080 6.116 1.391 1.00 0.00 C ATOM 1005 O CYS A 59 0.594 5.087 0.953 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.247 5.375 1.937 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.200 5.571 3.734 1.00 0.00 S ATOM 0 H CYS A 59 -1.003 5.997 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.624 7.397 1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.281 5.449 1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.900 4.374 1.682 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.990 5.866 4.107 1.00 0.00 H new ATOM 1013 N HIS A 60 0.762 7.036 2.067 1.00 0.00 N ATOM 1014 CA HIS A 60 2.186 6.885 2.340 1.00 0.00 C ATOM 1015 C HIS A 60 2.415 6.231 3.699 1.00 0.00 C ATOM 1016 O HIS A 60 2.470 6.911 4.724 1.00 0.00 O ATOM 1017 CB HIS A 60 2.882 8.247 2.294 1.00 0.00 C ATOM 1018 CG HIS A 60 2.755 8.940 0.974 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.707 9.811 0.486 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.778 8.890 0.037 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.320 10.265 -0.693 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.155 9.723 -0.989 1.00 0.00 N ATOM 0 H HIS A 60 0.351 7.894 2.435 1.00 0.00 H new ATOM 0 HA HIS A 60 2.611 6.240 1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.464 8.886 3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.939 8.114 2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.872 8.305 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.866 10.963 -1.310 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.621 9.894 -1.841 1.00 0.00 H new ATOM 1031 N ILE A 61 2.553 4.909 3.699 1.00 0.00 N ATOM 1032 CA ILE A 61 2.779 4.163 4.932 1.00 0.00 C ATOM 1033 C ILE A 61 4.065 4.619 5.615 1.00 0.00 C ATOM 1034 O ILE A 61 4.171 4.594 6.841 1.00 0.00 O ATOM 1035 CB ILE A 61 2.859 2.646 4.666 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.615 2.173 3.909 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.012 1.879 5.974 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.810 2.094 2.412 1.00 0.00 C ATOM 0 H ILE A 61 2.512 4.332 2.859 1.00 0.00 H new ATOM 0 HA ILE A 61 1.930 4.362 5.586 1.00 0.00 H new ATOM 0 HB ILE A 61 3.736 2.449 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.325 1.190 4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.789 2.852 4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.067 0.811 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.925 2.197 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.154 2.080 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.888 1.752 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.070 3.080 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.614 1.393 2.186 1.00 0.00 H new ATOM 1050 N LYS A 62 5.037 5.036 4.813 1.00 0.00 N ATOM 1051 CA LYS A 62 6.317 5.497 5.334 1.00 0.00 C ATOM 1052 C LYS A 62 6.879 6.621 4.464 1.00 0.00 C ATOM 1053 O LYS A 62 6.332 6.925 3.404 1.00 0.00 O ATOM 1054 CB LYS A 62 7.313 4.336 5.400 1.00 0.00 C ATOM 1055 CG LYS A 62 6.701 3.036 5.898 1.00 0.00 C ATOM 1056 CD LYS A 62 7.758 2.105 6.468 1.00 0.00 C ATOM 1057 CE LYS A 62 8.308 2.627 7.784 1.00 0.00 C ATOM 1058 NZ LYS A 62 7.656 1.977 8.956 1.00 0.00 N ATOM 0 H LYS A 62 4.962 5.064 3.796 1.00 0.00 H new ATOM 0 HA LYS A 62 6.158 5.884 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.734 4.173 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.139 4.613 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.955 3.253 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.181 2.540 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.329 1.115 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.571 1.994 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.383 2.452 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.159 3.705 7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.050 2.668 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.077 1.177 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.386 1.632 9.612 1.00 0.00 H new ATOM 1072 N PRO A 63 7.981 7.258 4.901 1.00 0.00 N ATOM 1073 CA PRO A 63 8.611 8.354 4.155 1.00 0.00 C ATOM 1074 C PRO A 63 9.212 7.899 2.827 1.00 0.00 C ATOM 1075 O PRO A 63 9.706 8.714 2.048 1.00 0.00 O ATOM 1076 CB PRO A 63 9.715 8.860 5.096 1.00 0.00 C ATOM 1077 CG PRO A 63 9.402 8.266 6.430 1.00 0.00 C ATOM 1078 CD PRO A 63 8.696 6.972 6.152 1.00 0.00 C ATOM 0 HA PRO A 63 7.881 9.118 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.700 8.549 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.723 9.949 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.312 8.098 7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.773 8.935 7.017 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.396 6.145 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.012 6.702 6.957 1.00 0.00 H new ATOM 1086 N ASP A 64 9.165 6.598 2.576 1.00 0.00 N ATOM 1087 CA ASP A 64 9.700 6.036 1.342 1.00 0.00 C ATOM 1088 C ASP A 64 8.816 4.900 0.834 1.00 0.00 C ATOM 1089 O ASP A 64 9.294 3.975 0.179 1.00 0.00 O ATOM 1090 CB ASP A 64 11.126 5.528 1.566 1.00 0.00 C ATOM 1091 CG ASP A 64 12.170 6.582 1.253 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.860 7.516 0.484 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.299 6.473 1.777 1.00 0.00 O ATOM 0 H ASP A 64 8.761 5.910 3.212 1.00 0.00 H new ATOM 0 HA ASP A 64 9.716 6.824 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.236 5.207 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.299 4.652 0.941 1.00 0.00 H new ATOM 1098 N VAL A 65 7.524 4.977 1.143 1.00 0.00 N ATOM 1099 CA VAL A 65 6.576 3.955 0.717 1.00 0.00 C ATOM 1100 C VAL A 65 5.187 4.546 0.498 1.00 0.00 C ATOM 1101 O VAL A 65 4.756 5.438 1.229 1.00 0.00 O ATOM 1102 CB VAL A 65 6.478 2.812 1.746 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.509 1.738 1.272 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.851 2.218 2.008 1.00 0.00 C ATOM 0 H VAL A 65 7.112 5.736 1.686 1.00 0.00 H new ATOM 0 HA VAL A 65 6.950 3.555 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 65 6.095 3.223 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.457 0.942 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.519 2.175 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.856 1.327 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.766 1.412 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.261 1.824 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.513 2.991 2.398 1.00 0.00 H new ATOM 1114 N LEU A 66 4.495 4.038 -0.514 1.00 0.00 N ATOM 1115 CA LEU A 66 3.153 4.507 -0.839 1.00 0.00 C ATOM 1116 C LEU A 66 2.402 3.464 -1.660 1.00 0.00 C ATOM 1117 O LEU A 66 2.823 3.110 -2.762 1.00 0.00 O ATOM 1118 CB LEU A 66 3.214 5.832 -1.606 1.00 0.00 C ATOM 1119 CG LEU A 66 4.548 6.130 -2.299 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.314 6.775 -3.656 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.416 7.022 -1.424 1.00 0.00 C ATOM 0 H LEU A 66 4.842 3.299 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 66 2.617 4.668 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.425 5.833 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.995 6.644 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 66 5.072 5.187 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.273 6.979 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.733 6.100 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.768 7.709 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.359 7.223 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.898 7.962 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.614 6.521 -0.477 1.00 0.00 H new ATOM 1133 N LEU A 67 1.291 2.972 -1.121 1.00 0.00 N ATOM 1134 CA LEU A 67 0.488 1.968 -1.810 1.00 0.00 C ATOM 1135 C LEU A 67 -0.933 2.475 -2.050 1.00 0.00 C ATOM 1136 O LEU A 67 -1.547 3.075 -1.167 1.00 0.00 O ATOM 1137 CB LEU A 67 0.477 0.654 -1.010 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.841 0.301 -0.310 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.796 -0.380 -1.280 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.578 -0.589 0.896 1.00 0.00 C ATOM 0 H LEU A 67 0.927 3.252 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 67 0.939 1.774 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.736 -0.161 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.263 0.705 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.307 1.224 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.726 -0.623 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.007 0.290 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.340 -1.296 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.523 -0.831 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.091 -1.508 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.069 -0.066 1.600 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.446 2.228 -3.249 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.790 2.656 -3.612 1.00 0.00 C ATOM 1154 C VAL A 68 -3.810 1.565 -3.304 1.00 0.00 C ATOM 1155 O VAL A 68 -3.574 0.387 -3.571 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.873 3.022 -5.107 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.268 3.513 -5.472 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.826 4.067 -5.456 1.00 0.00 C ATOM 0 H VAL A 68 -0.949 1.732 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.019 3.540 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.672 2.123 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.299 3.765 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.996 2.729 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.508 4.397 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.898 4.314 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.995 4.965 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.833 3.672 -5.242 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.946 1.966 -2.742 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.003 1.023 -2.399 1.00 0.00 C ATOM 1170 C TYR A 69 -7.367 1.560 -2.819 1.00 0.00 C ATOM 1171 O TYR A 69 -7.488 2.705 -3.254 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.992 0.738 -0.895 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.010 1.985 -0.039 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.116 2.826 -0.025 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.922 2.319 0.757 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.136 3.966 0.757 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.934 3.456 1.543 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.043 4.275 1.538 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.060 5.408 2.319 1.00 0.00 O ATOM 0 H TYR A 69 -5.157 2.938 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.818 0.094 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.857 0.124 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.105 0.154 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.974 2.585 -0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.052 1.679 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.003 4.610 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.080 3.701 2.157 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.214 5.480 2.809 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.393 0.724 -2.689 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.750 1.115 -3.056 1.00 0.00 C ATOM 1191 C LEU A 70 -10.670 1.096 -1.839 1.00 0.00 C ATOM 1192 O LEU A 70 -10.353 0.485 -0.818 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.296 0.182 -4.139 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.082 0.877 -5.254 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.204 1.890 -5.972 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.632 -0.147 -6.235 1.00 0.00 C ATOM 0 H LEU A 70 -8.310 -0.228 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.716 2.132 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.462 -0.359 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.941 -0.559 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.922 1.408 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.779 2.375 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.859 2.641 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.344 1.382 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.188 0.364 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.808 -0.706 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.295 -0.834 -5.710 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.811 1.768 -1.955 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.777 1.828 -0.866 1.00 0.00 C ATOM 1210 C VAL A 71 -13.989 0.951 -1.158 1.00 0.00 C ATOM 1211 O VAL A 71 -14.760 1.228 -2.076 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.250 3.270 -0.611 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -14.100 3.341 0.648 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -12.061 4.214 -0.514 1.00 0.00 C ATOM 0 H VAL A 71 -12.089 2.279 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.270 1.458 0.026 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.866 3.583 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.424 4.369 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.973 2.699 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.512 3.006 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.416 5.229 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.416 3.904 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.498 4.187 -1.447 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.152 -0.108 -0.370 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.271 -1.026 -0.543 1.00 0.00 C ATOM 1226 C LYS A 72 -16.272 -0.884 0.598 1.00 0.00 C ATOM 1227 O LYS A 72 -15.940 -0.378 1.670 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.766 -2.468 -0.618 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.603 -3.361 -1.521 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.422 -2.997 -2.985 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.700 -4.184 -3.895 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.017 -4.062 -4.579 1.00 0.00 N ATOM 0 H LYS A 72 -13.522 -0.351 0.395 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.774 -0.775 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.737 -2.465 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.752 -2.892 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.322 -4.403 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.655 -3.271 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.091 -2.176 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.405 -2.642 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.909 -4.263 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.679 -5.103 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.169 -4.890 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.774 -4.012 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.029 -3.198 -5.158 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.500 -1.336 0.363 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.550 -1.259 1.374 1.00 0.00 C ATOM 1248 C ASP A 73 -18.142 -2.005 2.640 1.00 0.00 C ATOM 1249 O ASP A 73 -18.125 -3.236 2.669 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.857 -1.834 0.829 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.600 -0.850 -0.055 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.595 0.356 0.266 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.184 -1.287 -1.068 1.00 0.00 O ATOM 0 H ASP A 73 -17.793 -1.759 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.701 -0.209 1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.643 -2.739 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.497 -2.125 1.662 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.811 -1.252 3.684 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.398 -1.840 4.954 1.00 0.00 C ATOM 1260 C ASP A 74 -16.192 -2.755 4.769 1.00 0.00 C ATOM 1261 O ASP A 74 -15.987 -3.691 5.541 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.556 -2.624 5.576 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.547 -2.563 7.092 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.560 -1.442 7.641 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -18.526 -3.638 7.729 1.00 0.00 O ATOM 0 H ASP A 74 -17.821 -0.232 3.676 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.113 -1.028 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.501 -2.227 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.500 -3.665 5.257 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.397 -2.481 3.737 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.212 -3.281 3.452 1.00 0.00 C ATOM 1272 C GLU A 75 -13.211 -2.490 2.617 1.00 0.00 C ATOM 1273 O GLU A 75 -13.593 -1.641 1.811 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.605 -4.566 2.715 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.464 -5.505 3.546 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.751 -6.814 2.836 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.218 -6.771 1.677 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.508 -7.882 3.436 1.00 0.00 O ATOM 0 H GLU A 75 -15.553 -1.712 3.086 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.742 -3.542 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.145 -4.303 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.700 -5.090 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.961 -5.711 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.406 -5.012 3.787 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.927 -2.775 2.813 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.870 -2.089 2.076 1.00 0.00 C ATOM 1287 C LEU A 76 -10.032 -3.083 1.278 1.00 0.00 C ATOM 1288 O LEU A 76 -9.697 -4.161 1.769 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.974 -1.305 3.037 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.014 -0.321 2.369 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.696 1.019 2.141 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.760 -0.148 3.212 1.00 0.00 C ATOM 0 H LEU A 76 -11.593 -3.475 3.475 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.339 -1.394 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.607 -0.755 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.392 -2.013 3.627 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.724 -0.726 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.997 1.707 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.564 0.880 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.016 1.432 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.087 0.556 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.033 0.235 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.261 -1.110 3.323 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.696 -2.714 0.046 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.898 -3.575 -0.818 1.00 0.00 C ATOM 1306 C ILE A 77 -7.653 -2.851 -1.320 1.00 0.00 C ATOM 1307 O ILE A 77 -7.722 -1.694 -1.737 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.717 -4.074 -2.027 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.056 -2.913 -2.966 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.988 -4.768 -1.557 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.065 -2.745 -4.099 1.00 0.00 C ATOM 0 H ILE A 77 -9.964 -1.825 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.595 -4.433 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.112 -4.794 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.050 -3.072 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.097 -1.989 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.555 -5.114 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.727 -5.620 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.594 -4.067 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.367 -1.905 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.073 -2.555 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.041 -3.654 -4.700 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.517 -3.539 -1.283 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.260 -2.960 -1.739 1.00 0.00 C ATOM 1325 C LEU A 78 -5.160 -3.016 -3.259 1.00 0.00 C ATOM 1326 O LEU A 78 -5.599 -3.981 -3.884 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.075 -3.697 -1.110 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.116 -3.807 0.417 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.899 -4.561 0.928 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.198 -2.425 1.050 1.00 0.00 C ATOM 0 H LEU A 78 -6.441 -4.497 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.234 -1.916 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.027 -4.702 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.156 -3.187 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.009 -4.365 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.944 -4.630 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.886 -5.564 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.993 -4.030 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.226 -2.523 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.325 -1.840 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.102 -1.921 0.708 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.584 -1.974 -3.848 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.432 -1.905 -5.297 1.00 0.00 C ATOM 1344 C LEU A 79 -2.993 -2.198 -5.712 1.00 0.00 C ATOM 1345 O LEU A 79 -2.705 -3.254 -6.276 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.858 -0.528 -5.810 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.888 -0.549 -6.941 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.361 -1.344 -8.126 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.205 -1.131 -6.450 1.00 0.00 C ATOM 0 H LEU A 79 -4.215 -1.167 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.076 -2.664 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.268 0.043 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.972 0.004 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.065 0.476 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.106 -1.349 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.442 -0.885 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.156 -2.368 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.927 -1.139 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.044 -2.150 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.590 -0.522 -5.632 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.095 -1.259 -5.436 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.689 -1.425 -5.788 1.00 0.00 C ATOM 1363 C ARG A 80 0.223 -0.771 -4.755 1.00 0.00 C ATOM 1364 O ARG A 80 -0.209 0.084 -3.982 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.422 -0.829 -7.173 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.584 0.682 -7.229 1.00 0.00 C ATOM 1367 CD ARG A 80 0.760 1.391 -7.198 1.00 0.00 C ATOM 1368 NE ARG A 80 0.663 2.773 -7.661 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.435 3.117 -8.927 1.00 0.00 C ATOM 1370 NH1 ARG A 80 0.279 2.184 -9.858 1.00 0.00 N ATOM 1371 NH2 ARG A 80 0.361 4.397 -9.262 1.00 0.00 N ATOM 0 H ARG A 80 -2.314 -0.378 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.470 -2.493 -5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.591 -1.089 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.102 -1.285 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.120 0.957 -8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.191 1.015 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.154 1.376 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.470 0.849 -7.823 1.00 0.00 H new ATOM 0 HE ARG A 80 0.777 3.518 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.334 1.197 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.105 2.454 -10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.479 5.118 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.186 4.661 -10.232 1.00 0.00 H new ATOM 1385 N LEU A 81 1.487 -1.180 -4.752 1.00 0.00 N ATOM 1386 CA LEU A 81 2.468 -0.636 -3.817 1.00 0.00 C ATOM 1387 C LEU A 81 3.663 -0.057 -4.568 1.00 0.00 C ATOM 1388 O LEU A 81 4.199 -0.686 -5.480 1.00 0.00 O ATOM 1389 CB LEU A 81 2.933 -1.725 -2.843 1.00 0.00 C ATOM 1390 CG LEU A 81 4.093 -1.338 -1.916 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.424 -1.463 -2.642 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.909 0.076 -1.377 1.00 0.00 C ATOM 0 H LEU A 81 1.858 -1.887 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 81 1.995 0.166 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.084 -2.023 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.230 -2.600 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 81 4.095 -2.027 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.234 -1.184 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.564 -2.493 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.429 -0.802 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.744 0.327 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.874 0.781 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.977 0.133 -0.814 1.00 0.00 H new ATOM 1404 N GLY A 82 4.075 1.145 -4.178 1.00 0.00 N ATOM 1405 CA GLY A 82 5.203 1.788 -4.824 1.00 0.00 C ATOM 1406 C GLY A 82 5.892 2.794 -3.925 1.00 0.00 C ATOM 1407 O GLY A 82 5.522 2.953 -2.761 1.00 0.00 O ATOM 0 H GLY A 82 3.647 1.685 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.922 1.029 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.861 2.289 -5.730 1.00 0.00 H new ATOM 1411 N SER A 83 6.898 3.474 -4.462 1.00 0.00 N ATOM 1412 CA SER A 83 7.643 4.471 -3.701 1.00 0.00 C ATOM 1413 C SER A 83 7.573 5.837 -4.377 1.00 0.00 C ATOM 1414 O SER A 83 7.069 5.963 -5.494 1.00 0.00 O ATOM 1415 CB SER A 83 9.102 4.040 -3.548 1.00 0.00 C ATOM 1416 OG SER A 83 9.710 4.684 -2.442 1.00 0.00 O ATOM 0 H SER A 83 7.217 3.353 -5.423 1.00 0.00 H new ATOM 0 HA SER A 83 7.189 4.551 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.153 2.959 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.652 4.277 -4.459 1.00 0.00 H new ATOM 0 HG SER A 83 9.410 4.260 -1.611 1.00 0.00 H new ATOM 1422 N HIS A 84 8.081 6.854 -3.693 1.00 0.00 N ATOM 1423 CA HIS A 84 8.077 8.213 -4.227 1.00 0.00 C ATOM 1424 C HIS A 84 8.858 8.285 -5.538 1.00 0.00 C ATOM 1425 O HIS A 84 8.575 9.125 -6.393 1.00 0.00 O ATOM 1426 CB HIS A 84 8.677 9.184 -3.210 1.00 0.00 C ATOM 1427 CG HIS A 84 8.098 10.563 -3.285 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.291 10.983 -4.322 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.213 11.621 -2.448 1.00 0.00 C ATOM 1430 CE1 HIS A 84 6.935 12.240 -4.118 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.480 12.648 -2.987 1.00 0.00 N ATOM 0 H HIS A 84 8.501 6.765 -2.768 1.00 0.00 H new ATOM 0 HA HIS A 84 7.043 8.496 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.522 8.788 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.754 9.242 -3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.777 11.651 -1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.306 12.832 -4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.373 13.577 -2.580 1.00 0.00 H new ATOM 1440 N SER A 85 9.840 7.403 -5.687 1.00 0.00 N ATOM 1441 CA SER A 85 10.660 7.370 -6.894 1.00 0.00 C ATOM 1442 C SER A 85 9.971 6.584 -8.007 1.00 0.00 C ATOM 1443 O SER A 85 10.283 6.758 -9.185 1.00 0.00 O ATOM 1444 CB SER A 85 12.026 6.753 -6.591 1.00 0.00 C ATOM 1445 OG SER A 85 11.888 5.477 -5.992 1.00 0.00 O ATOM 0 H SER A 85 10.088 6.702 -4.989 1.00 0.00 H new ATOM 0 HA SER A 85 10.797 8.397 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.601 6.665 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.586 7.411 -5.927 1.00 0.00 H new ATOM 0 HG SER A 85 12.776 5.103 -5.810 1.00 0.00 H new ATOM 1451 N GLU A 86 9.036 5.717 -7.630 1.00 0.00 N ATOM 1452 CA GLU A 86 8.310 4.905 -8.600 1.00 0.00 C ATOM 1453 C GLU A 86 7.107 5.661 -9.155 1.00 0.00 C ATOM 1454 O GLU A 86 7.066 6.000 -10.339 1.00 0.00 O ATOM 1455 CB GLU A 86 7.852 3.594 -7.958 1.00 0.00 C ATOM 1456 CG GLU A 86 8.033 2.381 -8.857 1.00 0.00 C ATOM 1457 CD GLU A 86 6.723 1.890 -9.443 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.787 1.620 -8.659 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.632 1.773 -10.682 1.00 0.00 O ATOM 0 H GLU A 86 8.764 5.559 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 86 8.986 4.681 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.409 3.438 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.800 3.680 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.718 2.632 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.496 1.576 -8.286 1.00 0.00 H new ATOM 1466 N LEU A 87 6.126 5.919 -8.295 1.00 0.00 N ATOM 1467 CA LEU A 87 4.920 6.631 -8.700 1.00 0.00 C ATOM 1468 C LEU A 87 5.260 8.002 -9.279 1.00 0.00 C ATOM 1469 O LEU A 87 4.625 8.459 -10.228 1.00 0.00 O ATOM 1470 CB LEU A 87 3.972 6.789 -7.509 1.00 0.00 C ATOM 1471 CG LEU A 87 3.267 5.504 -7.071 1.00 0.00 C ATOM 1472 CD1 LEU A 87 4.188 4.657 -6.206 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.983 5.833 -6.324 1.00 0.00 C ATOM 0 H LEU A 87 6.143 5.645 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 87 4.427 6.044 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.537 7.182 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.216 7.533 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 87 3.011 4.929 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.669 3.747 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.080 4.394 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.475 5.222 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.493 4.909 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.218 6.428 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.317 6.399 -6.976 1.00 0.00 H new ATOM 1485 N PHE A 88 6.265 8.651 -8.701 1.00 0.00 N ATOM 1486 CA PHE A 88 6.687 9.970 -9.160 1.00 0.00 C ATOM 1487 C PHE A 88 8.083 9.911 -9.773 1.00 0.00 C ATOM 1488 O PHE A 88 8.850 8.997 -9.407 1.00 0.00 O ATOM 1489 CB PHE A 88 6.668 10.969 -8.001 1.00 0.00 C ATOM 1490 CG PHE A 88 5.331 11.618 -7.789 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.946 12.708 -8.554 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.458 11.138 -6.825 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.716 13.308 -8.359 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.227 11.734 -6.627 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.855 12.820 -7.396 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.396 10.778 -10.616 1.00 0.00 O ATOM 0 H PHE A 88 6.802 8.286 -7.915 1.00 0.00 H new ATOM 0 HA PHE A 88 5.986 10.301 -9.926 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.963 10.456 -7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.413 11.743 -8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.614 13.093 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.743 10.289 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.428 14.158 -8.960 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.556 11.351 -5.872 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.893 13.286 -7.244 1.00 0.00 H new