USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 77 CYS SG : rot 78:sc= 2.08 USER MOD Set 1.2: A 100 TYR OH : rot 80:sc= 1.24 USER MOD Set 2.1: A 39 CYS SG : rot 82:sc= -8.9! USER MOD Set 2.2: A 63 ASN : amide:sc= -8.58! C(o=-17!,f=-21!) USER MOD Set 3.1: A 20 TYR OH : rot -23:sc= -1.02! USER MOD Set 3.2: A 43 HIS : no HE2:sc= -1.1 K(o=-2.1,f=-16!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -6.92! C(o=-9.8!,f=-17!) USER MOD Set 4.2: A 36 MET CE :methyl 127:sc= -0.697 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot -163:sc= -2.14 USER MOD Single : A 1 GLY N :NH3+ -117:sc= -0.577 (180deg=-2.09!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 15:sc= 1.92 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 66:sc= -1.85! USER MOD Single : A 19 ASN : amide:sc= -1.44! X(o=-1.4!,f=-0.98) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 27 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.45) USER MOD Single : A 29 SER OG : rot -96:sc=0.000372 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -90:sc= 0.416 USER MOD Single : A 33 SER OG : rot -83:sc= 0.194 USER MOD Single : A 34 SER OG : rot -163:sc= -0.236 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0304 (180deg=-0.421) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc=-0.00036 (180deg=-0.302) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 69 SER OG : rot 180:sc= -0.403 USER MOD Single : A 70 THR OG1 : rot 98:sc= 1.18 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 86 MET CE :methyl -164:sc= -0.0116 (180deg=-0.102) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot -60:sc= -2.37! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 101:sc= 0.71 USER MOD Single : A 102 GLN : amide:sc= -0.0198 K(o=-0.02,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 70:sc= 0.0242 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc=-0.00212 (180deg=-0.174) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc= -2.47 (180deg=-2.59) USER MOD Single : A 116 THR OG1 : rot -31:sc= 1.21 USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= -0.0158 (180deg=-0.315) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.395 14.754 5.118 1.00 0.00 N ATOM 2 CA GLY A 1 -2.562 15.337 6.206 1.00 0.00 C ATOM 3 C GLY A 1 -1.196 15.724 5.654 1.00 0.00 C ATOM 4 O GLY A 1 -0.196 15.059 5.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.228 15.356 4.958 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.835 14.698 4.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.705 13.800 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.057 16.213 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.447 14.616 7.016 1.00 0.00 H new ATOM 10 N PRO A 2 -1.135 16.782 4.888 1.00 0.00 N ATOM 11 CA PRO A 2 0.143 17.263 4.302 1.00 0.00 C ATOM 12 C PRO A 2 1.041 17.840 5.389 1.00 0.00 C ATOM 13 O PRO A 2 2.269 17.796 5.302 1.00 0.00 O ATOM 14 CB PRO A 2 -0.269 18.340 3.269 1.00 0.00 C ATOM 15 CG PRO A 2 -1.777 18.439 3.319 1.00 0.00 C ATOM 16 CD PRO A 2 -2.269 17.634 4.528 1.00 0.00 C ATOM 0 HA PRO A 2 0.715 16.463 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.190 19.300 3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.067 18.066 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.087 19.480 3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.214 18.050 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.551 18.289 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.148 17.040 4.278 1.00 0.00 H new ATOM 24 N LEU A 3 0.400 18.396 6.406 1.00 0.00 N ATOM 25 CA LEU A 3 1.106 19.006 7.519 1.00 0.00 C ATOM 26 C LEU A 3 1.944 17.969 8.257 1.00 0.00 C ATOM 27 O LEU A 3 3.069 18.251 8.677 1.00 0.00 O ATOM 28 CB LEU A 3 0.083 19.645 8.473 1.00 0.00 C ATOM 29 CG LEU A 3 -0.391 21.001 7.904 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.772 21.357 8.473 1.00 0.00 C ATOM 31 CD2 LEU A 3 0.612 22.105 8.279 1.00 0.00 C ATOM 0 H LEU A 3 -0.616 18.436 6.482 1.00 0.00 H new ATOM 0 HA LEU A 3 1.780 19.774 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.769 18.979 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.531 19.790 9.456 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.457 20.921 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.097 22.314 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.489 20.583 8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.711 21.426 9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.272 23.058 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.685 22.177 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.591 21.864 7.864 1.00 0.00 H new ATOM 43 N GLY A 4 1.390 16.773 8.408 1.00 0.00 N ATOM 44 CA GLY A 4 2.094 15.701 9.096 1.00 0.00 C ATOM 45 C GLY A 4 3.176 15.089 8.208 1.00 0.00 C ATOM 46 O GLY A 4 2.990 14.934 7.001 1.00 0.00 O ATOM 0 H GLY A 4 0.462 16.523 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.546 16.087 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.384 14.929 9.393 1.00 0.00 H new ATOM 50 N SER A 5 4.304 14.742 8.818 1.00 0.00 N ATOM 51 CA SER A 5 5.412 14.149 8.080 1.00 0.00 C ATOM 52 C SER A 5 4.910 13.028 7.177 1.00 0.00 C ATOM 53 O SER A 5 5.609 12.590 6.265 1.00 0.00 O ATOM 54 CB SER A 5 6.447 13.594 9.057 1.00 0.00 C ATOM 55 OG SER A 5 5.821 12.640 9.906 1.00 0.00 O ATOM 0 H SER A 5 4.474 14.860 9.817 1.00 0.00 H new ATOM 0 HA SER A 5 5.872 14.921 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.268 13.130 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.875 14.402 9.650 1.00 0.00 H new ATOM 0 HG SER A 5 6.481 12.279 10.534 1.00 0.00 H new ATOM 61 N LYS A 6 3.692 12.574 7.441 1.00 0.00 N ATOM 62 CA LYS A 6 3.093 11.504 6.650 1.00 0.00 C ATOM 63 C LYS A 6 2.831 11.973 5.222 1.00 0.00 C ATOM 64 O LYS A 6 2.223 11.260 4.423 1.00 0.00 O ATOM 65 CB LYS A 6 1.781 11.062 7.292 1.00 0.00 C ATOM 66 CG LYS A 6 2.077 10.425 8.652 1.00 0.00 C ATOM 67 CD LYS A 6 0.777 9.926 9.294 1.00 0.00 C ATOM 68 CE LYS A 6 -0.140 11.114 9.618 1.00 0.00 C ATOM 69 NZ LYS A 6 -1.109 10.715 10.676 1.00 0.00 N ATOM 0 H LYS A 6 3.100 12.927 8.193 1.00 0.00 H new ATOM 0 HA LYS A 6 3.787 10.664 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.116 11.917 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.268 10.349 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.773 9.595 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.559 11.152 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.269 9.238 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.002 9.371 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.453 11.965 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.673 11.431 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.732 11.518 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.682 9.916 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.591 10.432 11.532 1.00 0.00 H new ATOM 83 N ASN A 7 3.305 13.174 4.907 1.00 0.00 N ATOM 84 CA ASN A 7 3.137 13.721 3.571 1.00 0.00 C ATOM 85 C ASN A 7 4.027 12.982 2.578 1.00 0.00 C ATOM 86 O ASN A 7 3.621 12.698 1.452 1.00 0.00 O ATOM 87 CB ASN A 7 3.487 15.208 3.566 1.00 0.00 C ATOM 88 CG ASN A 7 3.352 15.774 2.156 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.259 15.780 1.589 1.00 0.00 O ATOM 90 ND2 ASN A 7 4.405 16.249 1.553 1.00 0.00 N ATOM 0 H ASN A 7 3.805 13.782 5.556 1.00 0.00 H new ATOM 0 HA ASN A 7 2.096 13.595 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.828 15.747 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.505 15.351 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.325 16.627 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.309 16.243 2.025 1.00 0.00 H new ATOM 97 N MET A 8 5.249 12.691 3.009 1.00 0.00 N ATOM 98 CA MET A 8 6.211 12.002 2.157 1.00 0.00 C ATOM 99 C MET A 8 5.607 10.723 1.594 1.00 0.00 C ATOM 100 O MET A 8 5.559 10.530 0.381 1.00 0.00 O ATOM 101 CB MET A 8 7.455 11.657 2.988 1.00 0.00 C ATOM 102 CG MET A 8 8.538 11.029 2.102 1.00 0.00 C ATOM 103 SD MET A 8 9.164 12.270 0.943 1.00 0.00 S ATOM 104 CE MET A 8 9.626 11.124 -0.379 1.00 0.00 C ATOM 0 H MET A 8 5.596 12.921 3.940 1.00 0.00 H new ATOM 0 HA MET A 8 6.482 12.653 1.326 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.843 12.558 3.463 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.185 10.966 3.787 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.352 10.649 2.719 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.128 10.179 1.556 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.045 11.683 -1.216 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.369 10.419 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.743 10.579 -0.713 1.00 0.00 H new ATOM 114 N LEU A 9 5.147 9.855 2.484 1.00 0.00 N ATOM 115 CA LEU A 9 4.546 8.598 2.080 1.00 0.00 C ATOM 116 C LEU A 9 3.264 8.836 1.303 1.00 0.00 C ATOM 117 O LEU A 9 3.019 8.197 0.281 1.00 0.00 O ATOM 118 CB LEU A 9 4.220 7.785 3.326 1.00 0.00 C ATOM 119 CG LEU A 9 5.505 7.318 4.002 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.167 6.740 5.380 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.214 6.248 3.144 1.00 0.00 C ATOM 0 H LEU A 9 5.180 10.002 3.493 1.00 0.00 H new ATOM 0 HA LEU A 9 5.250 8.064 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.634 8.388 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.608 6.924 3.057 1.00 0.00 H new ATOM 0 HG LEU A 9 6.177 8.169 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.082 6.404 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.691 7.508 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.487 5.896 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.128 5.928 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.554 5.391 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.461 6.669 2.169 1.00 0.00 H new ATOM 133 N LEU A 10 2.445 9.751 1.809 1.00 0.00 N ATOM 134 CA LEU A 10 1.174 10.054 1.161 1.00 0.00 C ATOM 135 C LEU A 10 1.434 10.578 -0.244 1.00 0.00 C ATOM 136 O LEU A 10 0.821 10.131 -1.209 1.00 0.00 O ATOM 137 CB LEU A 10 0.400 11.089 1.992 1.00 0.00 C ATOM 138 CG LEU A 10 -0.932 11.449 1.315 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.793 10.194 1.158 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.684 12.480 2.177 1.00 0.00 C ATOM 0 H LEU A 10 2.634 10.290 2.654 1.00 0.00 H new ATOM 0 HA LEU A 10 0.572 9.148 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.210 10.692 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.004 11.988 2.116 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.730 11.871 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.735 10.457 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.264 9.464 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.994 9.765 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.629 12.736 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.880 12.057 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.076 13.379 2.283 1.00 0.00 H new ATOM 152 N GLU A 11 2.365 11.515 -0.349 1.00 0.00 N ATOM 153 CA GLU A 11 2.724 12.098 -1.637 1.00 0.00 C ATOM 154 C GLU A 11 3.173 11.010 -2.592 1.00 0.00 C ATOM 155 O GLU A 11 2.726 10.904 -3.733 1.00 0.00 O ATOM 156 CB GLU A 11 3.894 13.043 -1.409 1.00 0.00 C ATOM 157 CG GLU A 11 4.222 13.792 -2.696 1.00 0.00 C ATOM 158 CD GLU A 11 5.339 14.797 -2.435 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.345 14.406 -1.868 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.171 15.947 -2.809 1.00 0.00 O ATOM 0 H GLU A 11 2.887 11.890 0.443 1.00 0.00 H new ATOM 0 HA GLU A 11 1.865 12.619 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.650 13.753 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.766 12.481 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.527 13.088 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.335 14.307 -3.065 1.00 0.00 H new ATOM 167 N TRP A 12 4.080 10.224 -2.068 1.00 0.00 N ATOM 168 CA TRP A 12 4.694 9.107 -2.757 1.00 0.00 C ATOM 169 C TRP A 12 3.651 8.070 -3.192 1.00 0.00 C ATOM 170 O TRP A 12 3.473 7.825 -4.382 1.00 0.00 O ATOM 171 CB TRP A 12 5.662 8.539 -1.731 1.00 0.00 C ATOM 172 CG TRP A 12 6.432 7.368 -2.210 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.534 7.409 -2.986 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.217 5.983 -1.869 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.006 6.118 -3.152 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.218 5.201 -2.482 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.243 5.343 -1.097 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.254 3.816 -2.323 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.270 3.952 -0.934 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.275 3.188 -1.544 1.00 0.00 C ATOM 0 H TRP A 12 4.426 10.345 -1.116 1.00 0.00 H new ATOM 0 HA TRP A 12 5.192 9.404 -3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.359 9.322 -1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.104 8.253 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.975 8.300 -3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.831 5.874 -3.700 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.465 5.924 -0.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.030 3.233 -2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.513 3.466 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.294 2.116 -1.413 1.00 0.00 H new ATOM 191 N CYS A 13 2.956 7.483 -2.221 1.00 0.00 N ATOM 192 CA CYS A 13 1.931 6.481 -2.515 1.00 0.00 C ATOM 193 C CYS A 13 0.927 7.006 -3.545 1.00 0.00 C ATOM 194 O CYS A 13 0.551 6.299 -4.479 1.00 0.00 O ATOM 195 CB CYS A 13 1.196 6.129 -1.207 1.00 0.00 C ATOM 196 SG CYS A 13 2.060 4.783 -0.362 1.00 0.00 S ATOM 0 H CYS A 13 3.082 7.681 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 13 2.410 5.595 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.147 7.005 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.169 5.835 -1.424 1.00 0.00 H new ATOM 0 HG CYS A 13 3.247 4.641 -0.873 1.00 0.00 H new ATOM 202 N ARG A 14 0.503 8.251 -3.356 1.00 0.00 N ATOM 203 CA ARG A 14 -0.462 8.875 -4.258 1.00 0.00 C ATOM 204 C ARG A 14 0.068 8.872 -5.684 1.00 0.00 C ATOM 205 O ARG A 14 -0.649 8.554 -6.633 1.00 0.00 O ATOM 206 CB ARG A 14 -0.690 10.325 -3.839 1.00 0.00 C ATOM 207 CG ARG A 14 -1.901 10.893 -4.581 1.00 0.00 C ATOM 208 CD ARG A 14 -2.064 12.376 -4.236 1.00 0.00 C ATOM 209 NE ARG A 14 -0.883 13.124 -4.664 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.765 13.584 -5.906 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.426 12.774 -6.872 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.984 14.846 -6.159 1.00 0.00 N ATOM 0 H ARG A 14 0.811 8.848 -2.588 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.393 8.311 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.852 10.381 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.196 10.921 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.771 10.771 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.801 10.344 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.953 12.775 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.209 12.494 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.133 13.297 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.252 11.789 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.335 13.126 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.246 15.480 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.893 15.198 -7.112 1.00 0.00 H new ATOM 226 N ALA A 15 1.328 9.248 -5.812 1.00 0.00 N ATOM 227 CA ALA A 15 1.976 9.318 -7.118 1.00 0.00 C ATOM 228 C ALA A 15 1.802 8.012 -7.892 1.00 0.00 C ATOM 229 O ALA A 15 1.553 8.022 -9.099 1.00 0.00 O ATOM 230 CB ALA A 15 3.466 9.605 -6.937 1.00 0.00 C ATOM 0 H ALA A 15 1.927 9.511 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 15 1.507 10.121 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.948 9.657 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.593 10.555 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.921 8.808 -6.350 1.00 0.00 H new ATOM 236 N MET A 16 1.940 6.893 -7.193 1.00 0.00 N ATOM 237 CA MET A 16 1.803 5.585 -7.819 1.00 0.00 C ATOM 238 C MET A 16 0.335 5.170 -7.891 1.00 0.00 C ATOM 239 O MET A 16 -0.004 4.187 -8.540 1.00 0.00 O ATOM 240 CB MET A 16 2.611 4.550 -7.019 1.00 0.00 C ATOM 241 CG MET A 16 3.861 5.219 -6.443 1.00 0.00 C ATOM 242 SD MET A 16 4.741 6.111 -7.752 1.00 0.00 S ATOM 243 CE MET A 16 6.179 6.620 -6.772 1.00 0.00 C ATOM 0 H MET A 16 2.146 6.865 -6.194 1.00 0.00 H new ATOM 0 HA MET A 16 2.188 5.638 -8.837 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.001 4.139 -6.214 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.894 3.717 -7.662 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.581 5.908 -5.646 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.515 4.468 -6.000 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.862 7.194 -7.399 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.850 7.236 -5.936 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.691 5.736 -6.392 1.00 0.00 H new ATOM 253 N THR A 17 -0.528 5.919 -7.211 1.00 0.00 N ATOM 254 CA THR A 17 -1.962 5.616 -7.199 1.00 0.00 C ATOM 255 C THR A 17 -2.687 6.317 -8.348 1.00 0.00 C ATOM 256 O THR A 17 -3.807 5.949 -8.712 1.00 0.00 O ATOM 257 CB THR A 17 -2.570 6.082 -5.865 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.694 5.751 -4.800 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.916 5.393 -5.637 1.00 0.00 C ATOM 0 H THR A 17 -0.264 6.737 -6.662 1.00 0.00 H new ATOM 0 HA THR A 17 -2.083 4.539 -7.318 1.00 0.00 H new ATOM 0 HB THR A 17 -2.715 7.162 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.864 6.264 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.340 5.728 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.597 5.646 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.772 4.313 -5.608 1.00 0.00 H new ATOM 267 N ARG A 18 -2.042 7.321 -8.921 1.00 0.00 N ATOM 268 CA ARG A 18 -2.635 8.061 -10.024 1.00 0.00 C ATOM 269 C ARG A 18 -2.851 7.117 -11.207 1.00 0.00 C ATOM 270 O ARG A 18 -3.960 6.974 -11.724 1.00 0.00 O ATOM 271 CB ARG A 18 -1.690 9.185 -10.427 1.00 0.00 C ATOM 272 CG ARG A 18 -2.367 10.068 -11.459 1.00 0.00 C ATOM 273 CD ARG A 18 -1.479 11.265 -11.778 1.00 0.00 C ATOM 274 NE ARG A 18 -2.222 12.222 -12.584 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.707 13.401 -12.897 1.00 0.00 C ATOM 276 NH1 ARG A 18 -0.947 13.522 -13.948 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.962 14.440 -12.150 1.00 0.00 N ATOM 0 H ARG A 18 -1.114 7.641 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.594 8.481 -9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.415 9.775 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.768 8.771 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.563 9.497 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.331 10.409 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.141 11.736 -10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.588 10.937 -12.313 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.156 11.980 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.748 12.708 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.550 14.430 -14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.557 14.343 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.566 15.349 -12.389 1.00 0.00 H new ATOM 291 N ASN A 19 -1.762 6.475 -11.606 1.00 0.00 N ATOM 292 CA ASN A 19 -1.787 5.523 -12.714 1.00 0.00 C ATOM 293 C ASN A 19 -2.900 4.507 -12.493 1.00 0.00 C ATOM 294 O ASN A 19 -3.478 3.976 -13.442 1.00 0.00 O ATOM 295 CB ASN A 19 -0.445 4.797 -12.809 1.00 0.00 C ATOM 296 CG ASN A 19 0.644 5.759 -13.261 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.400 6.624 -14.101 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.840 5.664 -12.746 1.00 0.00 N ATOM 0 H ASN A 19 -0.844 6.595 -11.178 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.968 6.064 -13.643 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.185 4.371 -11.840 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.521 3.967 -13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.574 6.308 -13.040 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.040 4.946 -12.050 1.00 0.00 H new ATOM 305 N TYR A 20 -3.186 4.244 -11.221 1.00 0.00 N ATOM 306 CA TYR A 20 -4.223 3.295 -10.842 1.00 0.00 C ATOM 307 C TYR A 20 -5.572 3.991 -10.721 1.00 0.00 C ATOM 308 O TYR A 20 -5.636 5.178 -10.398 1.00 0.00 O ATOM 309 CB TYR A 20 -3.846 2.668 -9.502 1.00 0.00 C ATOM 310 CG TYR A 20 -2.727 1.676 -9.702 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.453 2.131 -10.042 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.968 0.307 -9.559 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.409 1.213 -10.238 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.931 -0.611 -9.752 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.650 -0.158 -10.091 1.00 0.00 C ATOM 316 OH TYR A 20 0.375 -1.061 -10.277 1.00 0.00 O ATOM 0 H TYR A 20 -2.709 4.680 -10.432 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.304 2.526 -11.610 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.537 3.443 -8.801 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.712 2.171 -9.066 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.270 3.189 -10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.956 -0.042 -9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.578 1.564 -10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.118 -1.669 -9.640 1.00 0.00 H new ATOM 0 HH TYR A 20 1.068 -0.658 -10.841 1.00 0.00 H new ATOM 326 N GLU A 21 -6.647 3.251 -10.997 1.00 0.00 N ATOM 327 CA GLU A 21 -8.001 3.807 -10.930 1.00 0.00 C ATOM 328 C GLU A 21 -8.837 3.058 -9.912 1.00 0.00 C ATOM 329 O GLU A 21 -8.387 2.062 -9.354 1.00 0.00 O ATOM 330 CB GLU A 21 -8.671 3.702 -12.295 1.00 0.00 C ATOM 331 CG GLU A 21 -7.967 4.636 -13.276 1.00 0.00 C ATOM 332 CD GLU A 21 -8.574 4.472 -14.664 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.454 3.641 -14.806 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.148 5.178 -15.563 1.00 0.00 O ATOM 0 H GLU A 21 -6.608 2.269 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.926 4.853 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.626 2.675 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.726 3.966 -12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.066 5.670 -12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.901 4.412 -13.306 1.00 0.00 H new ATOM 341 N HIS A 22 -10.051 3.558 -9.667 1.00 0.00 N ATOM 342 CA HIS A 22 -10.946 2.936 -8.694 1.00 0.00 C ATOM 343 C HIS A 22 -10.298 3.015 -7.313 1.00 0.00 C ATOM 344 O HIS A 22 -10.848 2.562 -6.314 1.00 0.00 O ATOM 345 CB HIS A 22 -11.221 1.476 -9.103 1.00 0.00 C ATOM 346 CG HIS A 22 -12.255 0.849 -8.201 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.021 0.627 -6.859 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.509 0.350 -8.448 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.103 0.019 -6.349 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.045 -0.173 -7.274 1.00 0.00 N ATOM 0 H HIS A 22 -10.432 4.385 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.902 3.459 -8.664 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.566 1.443 -10.136 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.296 0.901 -9.057 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.176 0.880 -6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.005 0.361 -9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.200 -0.279 -5.315 1.00 0.00 H new ATOM 358 N VAL A 23 -9.112 3.622 -7.274 1.00 0.00 N ATOM 359 CA VAL A 23 -8.365 3.786 -6.030 1.00 0.00 C ATOM 360 C VAL A 23 -8.018 5.259 -5.827 1.00 0.00 C ATOM 361 O VAL A 23 -7.452 5.901 -6.711 1.00 0.00 O ATOM 362 CB VAL A 23 -7.083 2.956 -6.119 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.214 3.148 -4.877 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.442 1.477 -6.267 1.00 0.00 C ATOM 0 H VAL A 23 -8.647 4.010 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.967 3.449 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.517 3.292 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.310 2.546 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.942 4.199 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.769 2.836 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.529 0.885 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.023 1.155 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.030 1.334 -7.173 1.00 0.00 H new ATOM 374 N ASP A 24 -8.340 5.777 -4.646 1.00 0.00 N ATOM 375 CA ASP A 24 -8.052 7.174 -4.307 1.00 0.00 C ATOM 376 C ASP A 24 -7.595 7.264 -2.858 1.00 0.00 C ATOM 377 O ASP A 24 -8.385 7.069 -1.938 1.00 0.00 O ATOM 378 CB ASP A 24 -9.300 8.033 -4.509 1.00 0.00 C ATOM 379 CG ASP A 24 -9.574 8.208 -5.999 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.692 7.902 -6.782 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.661 8.647 -6.335 1.00 0.00 O ATOM 0 H ASP A 24 -8.802 5.252 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.261 7.542 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.157 7.564 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.162 9.007 -4.039 1.00 0.00 H new ATOM 386 N ILE A 25 -6.306 7.534 -2.663 1.00 0.00 N ATOM 387 CA ILE A 25 -5.741 7.611 -1.317 1.00 0.00 C ATOM 388 C ILE A 25 -5.925 8.990 -0.679 1.00 0.00 C ATOM 389 O ILE A 25 -5.065 9.866 -0.778 1.00 0.00 O ATOM 390 CB ILE A 25 -4.265 7.213 -1.373 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.183 5.740 -1.791 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.624 7.387 0.003 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.735 5.336 -2.087 1.00 0.00 C ATOM 0 H ILE A 25 -5.637 7.702 -3.414 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.283 6.915 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.736 7.844 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.586 5.110 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.799 5.574 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.573 7.101 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.703 8.429 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.138 6.755 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.703 4.287 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.344 5.952 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.127 5.481 -1.194 1.00 0.00 H new ATOM 405 N GLN A 26 -7.066 9.147 0.002 1.00 0.00 N ATOM 406 CA GLN A 26 -7.396 10.392 0.701 1.00 0.00 C ATOM 407 C GLN A 26 -6.933 10.290 2.145 1.00 0.00 C ATOM 408 O GLN A 26 -6.653 11.289 2.804 1.00 0.00 O ATOM 409 CB GLN A 26 -8.910 10.627 0.671 1.00 0.00 C ATOM 410 CG GLN A 26 -9.360 10.890 -0.765 1.00 0.00 C ATOM 411 CD GLN A 26 -10.873 11.072 -0.811 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.614 10.272 -0.239 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.379 12.085 -1.460 1.00 0.00 N ATOM 0 H GLN A 26 -7.779 8.422 0.083 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.896 11.225 0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.431 9.758 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.169 11.475 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.866 11.781 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.066 10.059 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.763 12.746 -1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.390 12.215 -1.494 1.00 0.00 H new ATOM 422 N ASN A 27 -6.837 9.056 2.614 1.00 0.00 N ATOM 423 CA ASN A 27 -6.387 8.767 3.967 1.00 0.00 C ATOM 424 C ASN A 27 -5.652 7.442 3.949 1.00 0.00 C ATOM 425 O ASN A 27 -5.426 6.874 2.882 1.00 0.00 O ATOM 426 CB ASN A 27 -7.575 8.688 4.931 1.00 0.00 C ATOM 427 CG ASN A 27 -8.307 10.025 4.979 1.00 0.00 C ATOM 428 OD1 ASN A 27 -9.330 10.198 4.317 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.847 10.986 5.736 1.00 0.00 N ATOM 0 H ASN A 27 -7.069 8.226 2.068 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.729 9.565 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.260 7.902 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.226 8.421 5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.336 11.880 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.999 10.842 6.284 1.00 0.00 H new ATOM 436 N PHE A 28 -5.274 6.952 5.117 1.00 0.00 N ATOM 437 CA PHE A 28 -4.556 5.681 5.204 1.00 0.00 C ATOM 438 C PHE A 28 -5.476 4.584 5.724 1.00 0.00 C ATOM 439 O PHE A 28 -5.132 3.405 5.698 1.00 0.00 O ATOM 440 CB PHE A 28 -3.363 5.847 6.148 1.00 0.00 C ATOM 441 CG PHE A 28 -2.252 6.577 5.430 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.231 7.975 5.401 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.249 5.848 4.783 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.204 8.646 4.726 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.222 6.516 4.108 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.198 7.916 4.080 1.00 0.00 C ATOM 0 H PHE A 28 -5.448 7.406 6.014 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.208 5.397 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.663 6.402 7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.013 4.871 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.007 8.537 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.267 4.768 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.187 9.726 4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.552 5.952 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.596 8.433 3.561 1.00 0.00 H new ATOM 456 N SER A 29 -6.635 4.993 6.230 1.00 0.00 N ATOM 457 CA SER A 29 -7.603 4.058 6.811 1.00 0.00 C ATOM 458 C SER A 29 -8.795 3.785 5.894 1.00 0.00 C ATOM 459 O SER A 29 -8.939 2.696 5.340 1.00 0.00 O ATOM 460 CB SER A 29 -8.123 4.648 8.118 1.00 0.00 C ATOM 461 OG SER A 29 -7.031 4.864 9.002 1.00 0.00 O ATOM 0 H SER A 29 -6.931 5.969 6.251 1.00 0.00 H new ATOM 0 HA SER A 29 -7.087 3.110 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.642 5.587 7.926 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.846 3.972 8.573 1.00 0.00 H new ATOM 0 HG SER A 29 -6.952 4.105 9.616 1.00 0.00 H new ATOM 467 N SER A 30 -9.659 4.780 5.761 1.00 0.00 N ATOM 468 CA SER A 30 -10.862 4.645 4.946 1.00 0.00 C ATOM 469 C SER A 30 -10.548 4.344 3.491 1.00 0.00 C ATOM 470 O SER A 30 -11.210 3.518 2.864 1.00 0.00 O ATOM 471 CB SER A 30 -11.684 5.928 5.022 1.00 0.00 C ATOM 472 OG SER A 30 -12.650 5.925 3.980 1.00 0.00 O ATOM 0 H SER A 30 -9.551 5.691 6.206 1.00 0.00 H new ATOM 0 HA SER A 30 -11.426 3.803 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.177 6.002 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.033 6.797 4.929 1.00 0.00 H new ATOM 0 HG SER A 30 -13.182 6.747 4.025 1.00 0.00 H new ATOM 478 N SER A 31 -9.563 5.028 2.947 1.00 0.00 N ATOM 479 CA SER A 31 -9.207 4.834 1.555 1.00 0.00 C ATOM 480 C SER A 31 -8.534 3.484 1.341 1.00 0.00 C ATOM 481 O SER A 31 -8.115 3.159 0.229 1.00 0.00 O ATOM 482 CB SER A 31 -8.282 5.954 1.107 1.00 0.00 C ATOM 483 OG SER A 31 -8.880 7.209 1.417 1.00 0.00 O ATOM 0 H SER A 31 -8.998 5.718 3.442 1.00 0.00 H new ATOM 0 HA SER A 31 -10.120 4.852 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.316 5.865 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.096 5.881 0.035 1.00 0.00 H new ATOM 0 HG SER A 31 -9.427 7.506 0.660 1.00 0.00 H new ATOM 489 N TRP A 32 -8.418 2.703 2.415 1.00 0.00 N ATOM 490 CA TRP A 32 -7.780 1.388 2.345 1.00 0.00 C ATOM 491 C TRP A 32 -8.782 0.263 2.609 1.00 0.00 C ATOM 492 O TRP A 32 -8.442 -0.914 2.498 1.00 0.00 O ATOM 493 CB TRP A 32 -6.689 1.340 3.403 1.00 0.00 C ATOM 494 CG TRP A 32 -5.561 2.204 2.976 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.623 3.546 2.852 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.211 1.814 2.624 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.391 4.005 2.428 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.483 2.974 2.284 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.559 0.577 2.565 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.144 2.906 1.903 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.211 0.501 2.180 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.503 1.665 1.853 1.00 0.00 C ATOM 0 H TRP A 32 -8.757 2.957 3.343 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.372 1.244 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.080 1.679 4.362 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.346 0.315 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.490 4.158 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.178 4.985 2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.096 -0.325 2.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.605 3.807 1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.718 -0.459 2.136 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.464 1.603 1.563 1.00 0.00 H new ATOM 513 N SER A 33 -10.008 0.623 2.977 1.00 0.00 N ATOM 514 CA SER A 33 -11.026 -0.376 3.270 1.00 0.00 C ATOM 515 C SER A 33 -11.347 -1.224 2.046 1.00 0.00 C ATOM 516 O SER A 33 -12.142 -2.159 2.126 1.00 0.00 O ATOM 517 CB SER A 33 -12.301 0.316 3.750 1.00 0.00 C ATOM 518 OG SER A 33 -12.931 0.956 2.647 1.00 0.00 O ATOM 0 H SER A 33 -10.317 1.590 3.078 1.00 0.00 H new ATOM 0 HA SER A 33 -10.636 -1.032 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.977 -0.412 4.198 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.063 1.047 4.522 1.00 0.00 H new ATOM 0 HG SER A 33 -12.521 1.834 2.501 1.00 0.00 H new ATOM 524 N SER A 34 -10.739 -0.897 0.906 1.00 0.00 N ATOM 525 CA SER A 34 -10.990 -1.644 -0.325 1.00 0.00 C ATOM 526 C SER A 34 -10.005 -2.797 -0.493 1.00 0.00 C ATOM 527 O SER A 34 -10.294 -3.769 -1.190 1.00 0.00 O ATOM 528 CB SER A 34 -10.866 -0.709 -1.525 1.00 0.00 C ATOM 529 OG SER A 34 -11.402 -1.348 -2.674 1.00 0.00 O ATOM 0 H SER A 34 -10.076 -0.128 0.810 1.00 0.00 H new ATOM 0 HA SER A 34 -11.997 -2.056 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.398 0.223 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.821 -0.450 -1.693 1.00 0.00 H new ATOM 0 HG SER A 34 -11.090 -0.886 -3.480 1.00 0.00 H new ATOM 535 N GLY A 35 -8.828 -2.668 0.107 1.00 0.00 N ATOM 536 CA GLY A 35 -7.807 -3.697 -0.034 1.00 0.00 C ATOM 537 C GLY A 35 -7.109 -3.520 -1.369 1.00 0.00 C ATOM 538 O GLY A 35 -6.029 -4.063 -1.605 1.00 0.00 O ATOM 0 H GLY A 35 -8.560 -1.873 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.086 -3.626 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.259 -4.687 0.026 1.00 0.00 H new ATOM 542 N MET A 36 -7.744 -2.728 -2.225 1.00 0.00 N ATOM 543 CA MET A 36 -7.217 -2.431 -3.543 1.00 0.00 C ATOM 544 C MET A 36 -5.923 -1.625 -3.422 1.00 0.00 C ATOM 545 O MET A 36 -5.033 -1.734 -4.262 1.00 0.00 O ATOM 546 CB MET A 36 -8.258 -1.630 -4.330 1.00 0.00 C ATOM 547 CG MET A 36 -9.505 -2.496 -4.545 1.00 0.00 C ATOM 548 SD MET A 36 -10.805 -1.502 -5.320 1.00 0.00 S ATOM 549 CE MET A 36 -10.440 -1.931 -7.037 1.00 0.00 C ATOM 0 H MET A 36 -8.636 -2.277 -2.022 1.00 0.00 H new ATOM 0 HA MET A 36 -7.000 -3.363 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.521 -0.722 -3.788 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.846 -1.320 -5.290 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.262 -3.352 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.855 -2.892 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.347 -2.292 -7.523 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.073 -1.049 -7.562 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.679 -2.711 -7.063 1.00 0.00 H new ATOM 559 N ALA A 37 -5.841 -0.800 -2.381 1.00 0.00 N ATOM 560 CA ALA A 37 -4.659 0.036 -2.175 1.00 0.00 C ATOM 561 C ALA A 37 -3.394 -0.814 -2.007 1.00 0.00 C ATOM 562 O ALA A 37 -2.404 -0.593 -2.702 1.00 0.00 O ATOM 563 CB ALA A 37 -4.856 0.922 -0.943 1.00 0.00 C ATOM 0 H ALA A 37 -6.569 -0.692 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.531 0.661 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.972 1.542 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.727 1.561 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.010 0.295 -0.065 1.00 0.00 H new ATOM 569 N PHE A 38 -3.421 -1.769 -1.074 1.00 0.00 N ATOM 570 CA PHE A 38 -2.244 -2.611 -0.834 1.00 0.00 C ATOM 571 C PHE A 38 -1.818 -3.337 -2.112 1.00 0.00 C ATOM 572 O PHE A 38 -0.634 -3.398 -2.430 1.00 0.00 O ATOM 573 CB PHE A 38 -2.538 -3.647 0.280 1.00 0.00 C ATOM 574 CG PHE A 38 -2.128 -3.095 1.634 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.765 -2.945 1.941 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.097 -2.740 2.579 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.380 -2.439 3.190 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.706 -2.235 3.827 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.353 -2.085 4.131 1.00 0.00 C ATOM 0 H PHE A 38 -4.226 -1.977 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.429 -1.961 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.600 -3.893 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.998 -4.572 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.014 -3.220 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.146 -2.855 2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.667 -2.322 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.455 -1.961 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.056 -1.695 5.094 1.00 0.00 H new ATOM 589 N CYS A 39 -2.779 -3.896 -2.824 1.00 0.00 N ATOM 590 CA CYS A 39 -2.464 -4.621 -4.053 1.00 0.00 C ATOM 591 C CYS A 39 -1.936 -3.680 -5.136 1.00 0.00 C ATOM 592 O CYS A 39 -0.956 -3.983 -5.819 1.00 0.00 O ATOM 593 CB CYS A 39 -3.720 -5.344 -4.567 1.00 0.00 C ATOM 594 SG CYS A 39 -3.836 -6.974 -3.793 1.00 0.00 S ATOM 0 H CYS A 39 -3.770 -3.867 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.685 -5.348 -3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.610 -4.757 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.675 -5.447 -5.651 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.372 -6.858 -2.614 1.00 0.00 H new ATOM 600 N ALA A 40 -2.615 -2.555 -5.297 1.00 0.00 N ATOM 601 CA ALA A 40 -2.255 -1.575 -6.318 1.00 0.00 C ATOM 602 C ALA A 40 -0.851 -1.007 -6.110 1.00 0.00 C ATOM 603 O ALA A 40 -0.096 -0.831 -7.067 1.00 0.00 O ATOM 604 CB ALA A 40 -3.266 -0.432 -6.279 1.00 0.00 C ATOM 0 H ALA A 40 -3.423 -2.294 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.266 -2.079 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.009 0.308 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.264 -0.822 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.248 0.036 -5.295 1.00 0.00 H new ATOM 610 N LEU A 41 -0.516 -0.707 -4.864 1.00 0.00 N ATOM 611 CA LEU A 41 0.790 -0.140 -4.540 1.00 0.00 C ATOM 612 C LEU A 41 1.913 -1.138 -4.831 1.00 0.00 C ATOM 613 O LEU A 41 2.954 -0.777 -5.383 1.00 0.00 O ATOM 614 CB LEU A 41 0.791 0.272 -3.064 1.00 0.00 C ATOM 615 CG LEU A 41 2.106 0.958 -2.679 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.327 2.224 -3.534 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.034 1.343 -1.197 1.00 0.00 C ATOM 0 H LEU A 41 -1.128 -0.846 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 41 0.971 0.735 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.043 0.946 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.640 -0.608 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 41 2.938 0.277 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.266 2.698 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.367 1.949 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.504 2.921 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.962 1.833 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.198 2.024 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.891 0.446 -0.595 1.00 0.00 H new ATOM 629 N ILE A 42 1.685 -2.394 -4.465 1.00 0.00 N ATOM 630 CA ILE A 42 2.663 -3.458 -4.692 1.00 0.00 C ATOM 631 C ILE A 42 2.875 -3.719 -6.188 1.00 0.00 C ATOM 632 O ILE A 42 3.996 -3.906 -6.641 1.00 0.00 O ATOM 633 CB ILE A 42 2.170 -4.747 -3.994 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.247 -4.574 -2.464 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.987 -5.978 -4.418 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.706 -4.356 -1.993 1.00 0.00 C ATOM 0 H ILE A 42 0.828 -2.704 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 42 3.621 -3.146 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 42 1.137 -4.913 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.634 -3.725 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.833 -5.456 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.607 -6.861 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.900 -6.119 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.034 -5.828 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.725 -4.238 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.312 -5.217 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.110 -3.459 -2.463 1.00 0.00 H new ATOM 648 N HIS A 43 1.790 -3.749 -6.937 1.00 0.00 N ATOM 649 CA HIS A 43 1.867 -4.030 -8.372 1.00 0.00 C ATOM 650 C HIS A 43 2.838 -3.081 -9.078 1.00 0.00 C ATOM 651 O HIS A 43 3.676 -3.506 -9.875 1.00 0.00 O ATOM 652 CB HIS A 43 0.475 -3.890 -8.981 1.00 0.00 C ATOM 653 CG HIS A 43 0.522 -4.183 -10.457 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.395 -3.187 -11.412 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.664 -5.356 -11.156 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.459 -3.773 -12.620 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.624 -5.094 -12.522 1.00 0.00 N ATOM 0 H HIS A 43 0.847 -3.584 -6.586 1.00 0.00 H new ATOM 0 HA HIS A 43 2.238 -5.046 -8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.216 -4.574 -8.489 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.097 -2.881 -8.815 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.275 -2.190 -11.231 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.788 -6.333 -10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.386 -3.240 -13.556 1.00 0.00 H new ATOM 665 N LYS A 44 2.704 -1.798 -8.784 1.00 0.00 N ATOM 666 CA LYS A 44 3.552 -0.777 -9.395 1.00 0.00 C ATOM 667 C LYS A 44 5.010 -1.228 -9.454 1.00 0.00 C ATOM 668 O LYS A 44 5.735 -0.881 -10.386 1.00 0.00 O ATOM 669 CB LYS A 44 3.474 0.512 -8.559 1.00 0.00 C ATOM 670 CG LYS A 44 4.252 1.658 -9.246 1.00 0.00 C ATOM 671 CD LYS A 44 3.362 2.341 -10.289 1.00 0.00 C ATOM 672 CE LYS A 44 4.129 3.493 -10.933 1.00 0.00 C ATOM 673 NZ LYS A 44 5.262 2.942 -11.728 1.00 0.00 N ATOM 0 H LYS A 44 2.016 -1.434 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 44 3.196 -0.605 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.432 0.802 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.884 0.332 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.578 2.385 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.150 1.265 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.057 1.622 -11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.452 2.713 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.466 4.073 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.503 4.171 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.585 3.655 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.045 2.694 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.947 2.092 -12.237 1.00 0.00 H new ATOM 687 N PHE A 45 5.444 -1.969 -8.445 1.00 0.00 N ATOM 688 CA PHE A 45 6.834 -2.425 -8.377 1.00 0.00 C ATOM 689 C PHE A 45 6.993 -3.865 -8.854 1.00 0.00 C ATOM 690 O PHE A 45 8.091 -4.286 -9.216 1.00 0.00 O ATOM 691 CB PHE A 45 7.307 -2.313 -6.925 1.00 0.00 C ATOM 692 CG PHE A 45 6.741 -1.057 -6.289 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.848 0.183 -6.942 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.111 -1.130 -5.040 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.324 1.339 -6.343 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.591 0.021 -4.446 1.00 0.00 C ATOM 697 CZ PHE A 45 5.697 1.257 -5.095 1.00 0.00 C ATOM 0 H PHE A 45 4.861 -2.269 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 45 7.434 -1.798 -9.037 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.989 -3.190 -6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.396 -2.289 -6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.333 0.246 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.027 -2.081 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.405 2.292 -6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.106 -0.042 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.295 2.146 -4.633 1.00 0.00 H new ATOM 707 N PHE A 46 5.908 -4.629 -8.825 1.00 0.00 N ATOM 708 CA PHE A 46 5.957 -6.036 -9.221 1.00 0.00 C ATOM 709 C PHE A 46 4.890 -6.361 -10.273 1.00 0.00 C ATOM 710 O PHE A 46 3.994 -7.137 -10.006 1.00 0.00 O ATOM 711 CB PHE A 46 5.725 -6.870 -7.954 1.00 0.00 C ATOM 712 CG PHE A 46 6.800 -6.531 -6.950 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.087 -7.037 -7.111 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.512 -5.691 -5.867 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.086 -6.705 -6.188 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.503 -5.359 -4.947 1.00 0.00 C ATOM 717 CZ PHE A 46 8.788 -5.863 -5.103 1.00 0.00 C ATOM 0 H PHE A 46 4.987 -4.303 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 46 6.923 -6.263 -9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.740 -6.660 -7.538 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.751 -7.934 -8.191 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.314 -7.684 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.514 -5.298 -5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.085 -7.096 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.273 -4.711 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.558 -5.608 -4.390 1.00 0.00 H new ATOM 727 N PRO A 47 4.954 -5.794 -11.459 1.00 0.00 N ATOM 728 CA PRO A 47 3.931 -6.064 -12.521 1.00 0.00 C ATOM 729 C PRO A 47 3.624 -7.556 -12.645 1.00 0.00 C ATOM 730 O PRO A 47 2.473 -7.950 -12.843 1.00 0.00 O ATOM 731 CB PRO A 47 4.575 -5.536 -13.826 1.00 0.00 C ATOM 732 CG PRO A 47 5.946 -5.031 -13.450 1.00 0.00 C ATOM 733 CD PRO A 47 5.973 -4.851 -11.929 1.00 0.00 C ATOM 0 HA PRO A 47 2.980 -5.582 -12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.644 -6.327 -14.573 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.973 -4.738 -14.261 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.714 -5.737 -13.766 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.157 -4.086 -13.951 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.955 -5.080 -11.514 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.736 -3.827 -11.641 1.00 0.00 H new ATOM 741 N GLU A 48 4.657 -8.371 -12.515 1.00 0.00 N ATOM 742 CA GLU A 48 4.488 -9.815 -12.600 1.00 0.00 C ATOM 743 C GLU A 48 3.517 -10.265 -11.518 1.00 0.00 C ATOM 744 O GLU A 48 2.820 -11.270 -11.661 1.00 0.00 O ATOM 745 CB GLU A 48 5.841 -10.514 -12.406 1.00 0.00 C ATOM 746 CG GLU A 48 5.671 -12.028 -12.561 1.00 0.00 C ATOM 747 CD GLU A 48 7.014 -12.731 -12.387 1.00 0.00 C ATOM 748 OE1 GLU A 48 7.935 -12.098 -11.897 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.099 -13.896 -12.739 1.00 0.00 O ATOM 0 H GLU A 48 5.615 -8.062 -12.351 1.00 0.00 H new ATOM 0 HA GLU A 48 4.094 -10.079 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.560 -10.143 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.241 -10.283 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.960 -12.399 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.258 -12.256 -13.544 1.00 0.00 H new ATOM 756 N ALA A 49 3.498 -9.500 -10.434 1.00 0.00 N ATOM 757 CA ALA A 49 2.632 -9.787 -9.288 1.00 0.00 C ATOM 758 C ALA A 49 1.302 -10.392 -9.696 1.00 0.00 C ATOM 759 O ALA A 49 1.057 -11.582 -9.494 1.00 0.00 O ATOM 760 CB ALA A 49 2.329 -8.492 -8.533 1.00 0.00 C ATOM 0 H ALA A 49 4.077 -8.668 -10.320 1.00 0.00 H new ATOM 0 HA ALA A 49 3.170 -10.504 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.685 -8.710 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.261 -8.050 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.825 -7.792 -9.199 1.00 0.00 H new ATOM 766 N PHE A 50 0.454 -9.555 -10.270 1.00 0.00 N ATOM 767 CA PHE A 50 -0.853 -9.980 -10.710 1.00 0.00 C ATOM 768 C PHE A 50 -1.469 -8.902 -11.590 1.00 0.00 C ATOM 769 O PHE A 50 -1.047 -7.742 -11.555 1.00 0.00 O ATOM 770 CB PHE A 50 -1.755 -10.240 -9.494 1.00 0.00 C ATOM 771 CG PHE A 50 -1.556 -9.150 -8.460 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.087 -7.871 -8.673 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.839 -9.420 -7.286 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.898 -6.865 -7.715 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.653 -8.415 -6.330 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.181 -7.139 -6.544 1.00 0.00 C ATOM 0 H PHE A 50 0.655 -8.570 -10.441 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.758 -10.902 -11.283 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.799 -10.271 -9.805 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.522 -11.212 -9.059 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.642 -7.660 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.429 -10.405 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.306 -5.879 -7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.101 -8.626 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.036 -6.364 -5.806 1.00 0.00 H new ATOM 786 N ASP A 51 -2.482 -9.280 -12.352 1.00 0.00 N ATOM 787 CA ASP A 51 -3.168 -8.329 -13.212 1.00 0.00 C ATOM 788 C ASP A 51 -4.170 -7.534 -12.379 1.00 0.00 C ATOM 789 O ASP A 51 -5.323 -7.938 -12.231 1.00 0.00 O ATOM 790 CB ASP A 51 -3.902 -9.070 -14.333 1.00 0.00 C ATOM 791 CG ASP A 51 -2.901 -9.615 -15.348 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.758 -9.190 -15.314 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.293 -10.449 -16.148 1.00 0.00 O ATOM 0 H ASP A 51 -2.846 -10.232 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.439 -7.652 -13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.489 -9.888 -13.915 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.602 -8.396 -14.827 1.00 0.00 H new ATOM 798 N TYR A 52 -3.716 -6.416 -11.819 1.00 0.00 N ATOM 799 CA TYR A 52 -4.567 -5.578 -10.981 1.00 0.00 C ATOM 800 C TYR A 52 -5.854 -5.225 -11.695 1.00 0.00 C ATOM 801 O TYR A 52 -6.864 -4.914 -11.062 1.00 0.00 O ATOM 802 CB TYR A 52 -3.829 -4.285 -10.634 1.00 0.00 C ATOM 803 CG TYR A 52 -4.735 -3.371 -9.836 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.823 -3.504 -8.444 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.494 -2.390 -10.494 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.668 -2.663 -7.713 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.336 -1.548 -9.758 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.423 -1.687 -8.368 1.00 0.00 C ATOM 809 OH TYR A 52 -7.256 -0.860 -7.644 1.00 0.00 O ATOM 0 H TYR A 52 -2.763 -6.070 -11.931 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.805 -6.136 -10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.931 -4.512 -10.060 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.506 -3.784 -11.547 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.238 -4.256 -7.935 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.428 -2.285 -11.567 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.737 -2.768 -6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.918 -0.791 -10.263 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.899 -0.433 -8.248 1.00 0.00 H new ATOM 819 N ALA A 53 -5.818 -5.277 -13.013 1.00 0.00 N ATOM 820 CA ALA A 53 -6.994 -4.960 -13.806 1.00 0.00 C ATOM 821 C ALA A 53 -7.934 -6.153 -13.867 1.00 0.00 C ATOM 822 O ALA A 53 -9.105 -6.016 -14.225 1.00 0.00 O ATOM 823 CB ALA A 53 -6.568 -4.566 -15.221 1.00 0.00 C ATOM 0 H ALA A 53 -4.994 -5.534 -13.556 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.518 -4.127 -13.337 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.451 -4.329 -15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.916 -3.693 -15.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.032 -5.395 -15.684 1.00 0.00 H new ATOM 829 N GLU A 54 -7.414 -7.333 -13.538 1.00 0.00 N ATOM 830 CA GLU A 54 -8.210 -8.557 -13.574 1.00 0.00 C ATOM 831 C GLU A 54 -8.913 -8.783 -12.253 1.00 0.00 C ATOM 832 O GLU A 54 -9.871 -9.556 -12.171 1.00 0.00 O ATOM 833 CB GLU A 54 -7.272 -9.734 -13.835 1.00 0.00 C ATOM 834 CG GLU A 54 -8.082 -11.007 -14.104 1.00 0.00 C ATOM 835 CD GLU A 54 -7.145 -12.148 -14.488 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.955 -12.015 -14.256 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.632 -13.141 -15.005 1.00 0.00 O ATOM 0 H GLU A 54 -6.447 -7.467 -13.244 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.961 -8.469 -14.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.631 -9.515 -14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.618 -9.885 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.655 -11.278 -13.217 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.800 -10.829 -14.905 1.00 0.00 H new ATOM 844 N LEU A 55 -8.437 -8.112 -11.215 1.00 0.00 N ATOM 845 CA LEU A 55 -9.023 -8.252 -9.889 1.00 0.00 C ATOM 846 C LEU A 55 -10.279 -7.405 -9.741 1.00 0.00 C ATOM 847 O LEU A 55 -10.433 -6.375 -10.401 1.00 0.00 O ATOM 848 CB LEU A 55 -7.989 -7.828 -8.846 1.00 0.00 C ATOM 849 CG LEU A 55 -6.837 -8.852 -8.827 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.645 -8.299 -8.033 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.313 -10.180 -8.194 1.00 0.00 C ATOM 0 H LEU A 55 -7.649 -7.467 -11.264 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.307 -9.294 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.605 -6.835 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.453 -7.766 -7.861 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.524 -9.038 -9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.839 -9.033 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.294 -7.378 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.954 -8.093 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.490 -10.895 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.645 -9.998 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.140 -10.585 -8.777 1.00 0.00 H new ATOM 863 N ASP A 56 -11.185 -7.861 -8.871 1.00 0.00 N ATOM 864 CA ASP A 56 -12.444 -7.160 -8.631 1.00 0.00 C ATOM 865 C ASP A 56 -12.543 -6.737 -7.157 1.00 0.00 C ATOM 866 O ASP A 56 -11.814 -7.263 -6.317 1.00 0.00 O ATOM 867 CB ASP A 56 -13.615 -8.092 -8.992 1.00 0.00 C ATOM 868 CG ASP A 56 -13.915 -8.024 -10.489 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.335 -6.971 -10.945 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.718 -9.024 -11.160 1.00 0.00 O ATOM 0 H ASP A 56 -11.067 -8.713 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.485 -6.264 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.371 -9.117 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.501 -7.808 -8.425 1.00 0.00 H new ATOM 875 N PRO A 57 -13.423 -5.811 -6.817 1.00 0.00 N ATOM 876 CA PRO A 57 -13.589 -5.355 -5.406 1.00 0.00 C ATOM 877 C PRO A 57 -14.310 -6.413 -4.583 1.00 0.00 C ATOM 878 O PRO A 57 -14.270 -6.405 -3.350 1.00 0.00 O ATOM 879 CB PRO A 57 -14.417 -4.049 -5.508 1.00 0.00 C ATOM 880 CG PRO A 57 -14.696 -3.825 -6.972 1.00 0.00 C ATOM 881 CD PRO A 57 -14.369 -5.123 -7.709 1.00 0.00 C ATOM 0 HA PRO A 57 -12.635 -5.187 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.347 -4.136 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.867 -3.208 -5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.740 -3.550 -7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.091 -3.004 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.264 -5.721 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.926 -4.927 -8.685 1.00 0.00 H new ATOM 889 N ALA A 58 -14.975 -7.316 -5.291 1.00 0.00 N ATOM 890 CA ALA A 58 -15.715 -8.389 -4.653 1.00 0.00 C ATOM 891 C ALA A 58 -14.764 -9.333 -3.932 1.00 0.00 C ATOM 892 O ALA A 58 -15.048 -9.802 -2.829 1.00 0.00 O ATOM 893 CB ALA A 58 -16.495 -9.169 -5.716 1.00 0.00 C ATOM 0 H ALA A 58 -15.015 -7.324 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.404 -7.959 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.052 -9.976 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.189 -8.499 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.799 -9.588 -6.443 1.00 0.00 H new ATOM 899 N LYS A 59 -13.637 -9.616 -4.583 1.00 0.00 N ATOM 900 CA LYS A 59 -12.630 -10.521 -4.035 1.00 0.00 C ATOM 901 C LYS A 59 -11.584 -9.753 -3.218 1.00 0.00 C ATOM 902 O LYS A 59 -10.381 -9.900 -3.440 1.00 0.00 O ATOM 903 CB LYS A 59 -11.933 -11.250 -5.194 1.00 0.00 C ATOM 904 CG LYS A 59 -12.946 -12.137 -5.932 1.00 0.00 C ATOM 905 CD LYS A 59 -12.259 -12.835 -7.115 1.00 0.00 C ATOM 906 CE LYS A 59 -13.294 -13.644 -7.904 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.796 -14.762 -7.057 1.00 0.00 N ATOM 0 H LYS A 59 -13.398 -9.229 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.123 -11.235 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.499 -10.526 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.113 -11.858 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.359 -12.880 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.781 -11.533 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.789 -12.096 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.468 -13.492 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.121 -13.002 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.846 -14.037 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.279 -15.461 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.996 -15.216 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.463 -14.390 -6.351 1.00 0.00 H new ATOM 921 N ARG A 60 -12.047 -8.928 -2.283 1.00 0.00 N ATOM 922 CA ARG A 60 -11.142 -8.136 -1.447 1.00 0.00 C ATOM 923 C ARG A 60 -10.279 -9.016 -0.543 1.00 0.00 C ATOM 924 O ARG A 60 -9.089 -8.753 -0.373 1.00 0.00 O ATOM 925 CB ARG A 60 -11.955 -7.149 -0.608 1.00 0.00 C ATOM 926 CG ARG A 60 -12.990 -7.914 0.218 1.00 0.00 C ATOM 927 CD ARG A 60 -13.874 -6.925 0.976 1.00 0.00 C ATOM 928 NE ARG A 60 -14.708 -6.184 0.039 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.381 -5.105 0.421 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.755 -4.122 1.006 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.666 -5.028 0.209 1.00 0.00 N ATOM 0 H ARG A 60 -13.038 -8.789 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.465 -7.591 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.295 -6.584 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.452 -6.428 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.601 -8.538 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.489 -8.581 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.501 -7.458 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.254 -6.235 1.548 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.776 -6.500 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.750 -4.183 1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.270 -3.292 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.154 -5.797 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.183 -4.199 0.503 1.00 0.00 H new ATOM 945 N ARG A 61 -10.876 -10.043 0.053 1.00 0.00 N ATOM 946 CA ARG A 61 -10.126 -10.918 0.951 1.00 0.00 C ATOM 947 C ARG A 61 -8.877 -11.435 0.271 1.00 0.00 C ATOM 948 O ARG A 61 -7.761 -11.317 0.791 1.00 0.00 O ATOM 949 CB ARG A 61 -10.993 -12.109 1.339 1.00 0.00 C ATOM 950 CG ARG A 61 -10.238 -13.012 2.316 1.00 0.00 C ATOM 951 CD ARG A 61 -11.176 -14.101 2.838 1.00 0.00 C ATOM 952 NE ARG A 61 -12.192 -13.517 3.715 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.438 -13.987 3.746 1.00 0.00 C ATOM 954 NH1 ARG A 61 -13.661 -15.212 4.139 1.00 0.00 N ATOM 955 NH2 ARG A 61 -14.431 -13.227 3.376 1.00 0.00 N ATOM 0 H ARG A 61 -11.859 -10.288 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.845 -10.345 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.920 -11.761 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.269 -12.674 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.380 -13.465 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.851 -12.422 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.656 -14.609 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.605 -14.853 3.382 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.940 -12.732 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.882 -15.807 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.614 -15.574 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.254 -12.273 3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.385 -13.587 3.400 1.00 0.00 H new ATOM 969 N HIS A 62 -9.076 -12.008 -0.900 1.00 0.00 N ATOM 970 CA HIS A 62 -7.982 -12.560 -1.664 1.00 0.00 C ATOM 971 C HIS A 62 -6.969 -11.464 -2.006 1.00 0.00 C ATOM 972 O HIS A 62 -5.768 -11.717 -2.100 1.00 0.00 O ATOM 973 CB HIS A 62 -8.536 -13.187 -2.953 1.00 0.00 C ATOM 974 CG HIS A 62 -9.012 -14.590 -2.680 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.138 -15.622 -2.385 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.269 -15.141 -2.650 1.00 0.00 C ATOM 977 CE1 HIS A 62 -8.872 -16.733 -2.192 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.178 -16.495 -2.341 1.00 0.00 N ATOM 0 H HIS A 62 -9.991 -12.102 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.476 -13.324 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.358 -12.583 -3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.764 -13.199 -3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.188 -14.606 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.456 -17.699 -1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.944 -17.162 -2.248 1.00 0.00 H new ATOM 986 N ASN A 63 -7.471 -10.249 -2.194 1.00 0.00 N ATOM 987 CA ASN A 63 -6.621 -9.112 -2.528 1.00 0.00 C ATOM 988 C ASN A 63 -5.656 -8.828 -1.384 1.00 0.00 C ATOM 989 O ASN A 63 -4.480 -8.532 -1.606 1.00 0.00 O ATOM 990 CB ASN A 63 -7.499 -7.873 -2.782 1.00 0.00 C ATOM 991 CG ASN A 63 -6.762 -6.855 -3.646 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.364 -5.799 -3.159 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.556 -7.111 -4.909 1.00 0.00 N ATOM 0 H ASN A 63 -8.464 -10.026 -2.121 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.049 -9.345 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.424 -8.172 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.776 -7.417 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.064 -6.434 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.887 -7.988 -5.312 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.158 -8.929 -0.158 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.313 -8.683 0.995 1.00 0.00 C ATOM 1002 C PHE A 64 -4.223 -9.753 1.062 1.00 0.00 C ATOM 1003 O PHE A 64 -3.034 -9.439 1.039 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.149 -8.684 2.283 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.905 -7.377 2.412 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.224 -6.213 2.792 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.282 -7.329 2.161 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.917 -5.005 2.916 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.976 -6.119 2.285 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.292 -4.957 2.661 1.00 0.00 C ATOM 0 H PHE A 64 -7.125 -9.174 0.057 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.847 -7.703 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.850 -9.519 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.500 -8.825 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.163 -6.249 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.809 -8.226 1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.391 -4.108 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.038 -6.082 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.826 -4.023 2.754 1.00 0.00 H new ATOM 1020 N THR A 65 -4.637 -11.015 1.129 1.00 0.00 N ATOM 1021 CA THR A 65 -3.669 -12.108 1.184 1.00 0.00 C ATOM 1022 C THR A 65 -2.692 -11.989 0.022 1.00 0.00 C ATOM 1023 O THR A 65 -1.486 -12.171 0.184 1.00 0.00 O ATOM 1024 CB THR A 65 -4.368 -13.466 1.101 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.460 -13.496 2.008 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.370 -14.574 1.454 1.00 0.00 C ATOM 0 H THR A 65 -5.615 -11.304 1.146 1.00 0.00 H new ATOM 0 HA THR A 65 -3.138 -12.040 2.134 1.00 0.00 H new ATOM 0 HB THR A 65 -4.740 -13.623 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.908 -14.366 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.866 -15.543 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.537 -14.550 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.996 -14.418 2.466 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.234 -11.694 -1.149 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.426 -11.561 -2.354 1.00 0.00 C ATOM 1036 C LEU A 66 -1.386 -10.461 -2.197 1.00 0.00 C ATOM 1037 O LEU A 66 -0.213 -10.657 -2.511 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.354 -11.218 -3.518 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.570 -11.010 -4.819 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.789 -12.279 -5.182 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.566 -10.681 -5.934 1.00 0.00 C ATOM 0 H LEU A 66 -4.232 -11.542 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.902 -12.499 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.080 -12.019 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.916 -10.314 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.858 -10.194 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.238 -12.115 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.089 -12.517 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.484 -13.108 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.028 -10.529 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.269 -11.506 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.112 -9.773 -5.678 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.816 -9.303 -1.725 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.893 -8.198 -1.554 1.00 0.00 C ATOM 1055 C ALA A 67 0.186 -8.572 -0.559 1.00 0.00 C ATOM 1056 O ALA A 67 1.358 -8.228 -0.730 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.644 -6.951 -1.062 1.00 0.00 C ATOM 0 H ALA A 67 -2.781 -9.107 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.431 -7.977 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.940 -6.128 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.403 -6.672 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.122 -7.167 -0.107 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.219 -9.281 0.485 1.00 0.00 N ATOM 1064 CA PHE A 68 0.721 -9.694 1.511 1.00 0.00 C ATOM 1065 C PHE A 68 1.552 -10.887 1.042 1.00 0.00 C ATOM 1066 O PHE A 68 2.773 -10.894 1.195 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.032 -10.034 2.806 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.661 -8.777 3.391 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.140 -7.681 3.749 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.051 -8.711 3.585 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.444 -6.530 4.290 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.633 -7.554 4.131 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.826 -6.464 4.483 1.00 0.00 C ATOM 0 H PHE A 68 -1.182 -9.579 0.641 1.00 0.00 H new ATOM 0 HA PHE A 68 1.404 -8.868 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.804 -10.776 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.653 -10.477 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.210 -7.726 3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.673 -9.551 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.177 -5.688 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.702 -7.505 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.272 -5.574 4.903 1.00 0.00 H new ATOM 1083 N SER A 69 0.897 -11.894 0.470 1.00 0.00 N ATOM 1084 CA SER A 69 1.613 -13.074 -0.006 1.00 0.00 C ATOM 1085 C SER A 69 2.525 -12.719 -1.175 1.00 0.00 C ATOM 1086 O SER A 69 3.547 -13.371 -1.396 1.00 0.00 O ATOM 1087 CB SER A 69 0.625 -14.155 -0.445 1.00 0.00 C ATOM 1088 OG SER A 69 -0.090 -13.705 -1.586 1.00 0.00 O ATOM 0 H SER A 69 -0.113 -11.918 0.326 1.00 0.00 H new ATOM 0 HA SER A 69 2.221 -13.451 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.157 -15.078 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.067 -14.381 0.366 1.00 0.00 H new ATOM 0 HG SER A 69 -0.723 -14.397 -1.870 1.00 0.00 H new ATOM 1094 N THR A 70 2.172 -11.665 -1.909 1.00 0.00 N ATOM 1095 CA THR A 70 3.002 -11.234 -3.027 1.00 0.00 C ATOM 1096 C THR A 70 4.232 -10.490 -2.521 1.00 0.00 C ATOM 1097 O THR A 70 5.357 -10.775 -2.935 1.00 0.00 O ATOM 1098 CB THR A 70 2.212 -10.335 -3.980 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.121 -11.065 -4.528 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.136 -9.868 -5.104 1.00 0.00 C ATOM 0 H THR A 70 1.334 -11.105 -1.753 1.00 0.00 H new ATOM 0 HA THR A 70 3.320 -12.124 -3.570 1.00 0.00 H new ATOM 0 HB THR A 70 1.827 -9.471 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.306 -10.866 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.581 -9.226 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.971 -9.310 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.516 -10.734 -5.646 1.00 0.00 H new ATOM 1108 N ALA A 71 4.008 -9.533 -1.626 1.00 0.00 N ATOM 1109 CA ALA A 71 5.103 -8.750 -1.072 1.00 0.00 C ATOM 1110 C ALA A 71 6.059 -9.634 -0.280 1.00 0.00 C ATOM 1111 O ALA A 71 7.264 -9.387 -0.256 1.00 0.00 O ATOM 1112 CB ALA A 71 4.565 -7.648 -0.161 1.00 0.00 C ATOM 0 H ALA A 71 3.085 -9.283 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 71 5.643 -8.301 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.397 -7.073 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.913 -6.989 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.001 -8.095 0.657 1.00 0.00 H new ATOM 1118 N GLU A 72 5.520 -10.661 0.372 1.00 0.00 N ATOM 1119 CA GLU A 72 6.354 -11.558 1.159 1.00 0.00 C ATOM 1120 C GLU A 72 7.211 -12.439 0.256 1.00 0.00 C ATOM 1121 O GLU A 72 8.421 -12.546 0.440 1.00 0.00 O ATOM 1122 CB GLU A 72 5.480 -12.440 2.059 1.00 0.00 C ATOM 1123 CG GLU A 72 6.371 -13.280 2.982 1.00 0.00 C ATOM 1124 CD GLU A 72 5.509 -14.134 3.909 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.324 -13.860 4.005 1.00 0.00 O ATOM 1126 OE2 GLU A 72 6.048 -15.047 4.512 1.00 0.00 O ATOM 0 H GLU A 72 4.526 -10.889 0.371 1.00 0.00 H new ATOM 0 HA GLU A 72 7.013 -10.949 1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.809 -11.819 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.855 -13.092 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.023 -13.920 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.015 -12.627 3.571 1.00 0.00 H new ATOM 1133 N LYS A 73 6.588 -13.088 -0.715 1.00 0.00 N ATOM 1134 CA LYS A 73 7.339 -13.964 -1.600 1.00 0.00 C ATOM 1135 C LYS A 73 8.395 -13.177 -2.381 1.00 0.00 C ATOM 1136 O LYS A 73 9.516 -13.651 -2.573 1.00 0.00 O ATOM 1137 CB LYS A 73 6.389 -14.660 -2.584 1.00 0.00 C ATOM 1138 CG LYS A 73 5.405 -15.581 -1.839 1.00 0.00 C ATOM 1139 CD LYS A 73 6.057 -16.939 -1.528 1.00 0.00 C ATOM 1140 CE LYS A 73 5.057 -17.834 -0.789 1.00 0.00 C ATOM 1141 NZ LYS A 73 5.680 -19.162 -0.530 1.00 0.00 N ATOM 0 H LYS A 73 5.588 -13.028 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 73 7.842 -14.712 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.835 -13.912 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.966 -15.242 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.085 -15.105 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.511 -15.732 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.377 -17.420 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.949 -16.794 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.762 -17.369 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.151 -17.954 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.003 -19.771 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.941 -19.605 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.532 -19.038 0.053 1.00 0.00 H new ATOM 1155 N LEU A 74 8.026 -11.983 -2.840 1.00 0.00 N ATOM 1156 CA LEU A 74 8.936 -11.150 -3.618 1.00 0.00 C ATOM 1157 C LEU A 74 9.858 -10.289 -2.752 1.00 0.00 C ATOM 1158 O LEU A 74 11.023 -10.102 -3.098 1.00 0.00 O ATOM 1159 CB LEU A 74 8.127 -10.241 -4.548 1.00 0.00 C ATOM 1160 CG LEU A 74 7.443 -11.073 -5.650 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.493 -10.174 -6.450 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.493 -11.686 -6.600 1.00 0.00 C ATOM 0 H LEU A 74 7.105 -11.573 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 74 9.572 -11.827 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.376 -9.699 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.782 -9.496 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 74 6.883 -11.882 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.008 -10.760 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.736 -9.760 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.059 -9.361 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.990 -12.270 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.070 -10.888 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.162 -12.334 -6.034 1.00 0.00 H new ATOM 1174 N ALA A 75 9.337 -9.720 -1.658 1.00 0.00 N ATOM 1175 CA ALA A 75 10.149 -8.832 -0.802 1.00 0.00 C ATOM 1176 C ALA A 75 10.276 -9.337 0.632 1.00 0.00 C ATOM 1177 O ALA A 75 10.951 -8.704 1.447 1.00 0.00 O ATOM 1178 CB ALA A 75 9.524 -7.437 -0.791 1.00 0.00 C ATOM 0 H ALA A 75 8.375 -9.852 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 75 11.154 -8.809 -1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.119 -6.777 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.497 -7.042 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.509 -7.496 -0.398 1.00 0.00 H new ATOM 1184 N ASP A 76 9.654 -10.468 0.957 1.00 0.00 N ATOM 1185 CA ASP A 76 9.763 -10.986 2.322 1.00 0.00 C ATOM 1186 C ASP A 76 9.445 -9.879 3.321 1.00 0.00 C ATOM 1187 O ASP A 76 9.961 -9.865 4.439 1.00 0.00 O ATOM 1188 CB ASP A 76 11.181 -11.504 2.552 1.00 0.00 C ATOM 1189 CG ASP A 76 11.257 -12.249 3.876 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.236 -12.352 4.536 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.335 -12.712 4.210 1.00 0.00 O ATOM 0 H ASP A 76 9.087 -11.028 0.320 1.00 0.00 H new ATOM 0 HA ASP A 76 9.053 -11.801 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.471 -12.166 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.885 -10.672 2.553 1.00 0.00 H new ATOM 1196 N CYS A 77 8.602 -8.948 2.886 1.00 0.00 N ATOM 1197 CA CYS A 77 8.204 -7.805 3.705 1.00 0.00 C ATOM 1198 C CYS A 77 7.743 -8.213 5.106 1.00 0.00 C ATOM 1199 O CYS A 77 7.962 -9.340 5.553 1.00 0.00 O ATOM 1200 CB CYS A 77 7.076 -7.047 3.000 1.00 0.00 C ATOM 1201 SG CYS A 77 5.526 -7.971 3.170 1.00 0.00 S ATOM 0 H CYS A 77 8.176 -8.963 1.959 1.00 0.00 H new ATOM 0 HA CYS A 77 9.082 -7.170 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.967 -6.052 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.318 -6.913 1.946 1.00 0.00 H new ATOM 0 HG CYS A 77 5.038 -7.784 4.360 1.00 0.00 H new ATOM 1207 N ALA A 78 7.092 -7.268 5.782 1.00 0.00 N ATOM 1208 CA ALA A 78 6.578 -7.493 7.129 1.00 0.00 C ATOM 1209 C ALA A 78 5.190 -8.131 7.069 1.00 0.00 C ATOM 1210 O ALA A 78 4.584 -8.217 6.002 1.00 0.00 O ATOM 1211 CB ALA A 78 6.497 -6.159 7.882 1.00 0.00 C ATOM 0 H ALA A 78 6.908 -6.334 5.415 1.00 0.00 H new ATOM 0 HA ALA A 78 7.255 -8.168 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.113 -6.331 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.491 -5.716 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.830 -5.481 7.350 1.00 0.00 H new ATOM 1217 N GLN A 79 4.694 -8.579 8.221 1.00 0.00 N ATOM 1218 CA GLN A 79 3.375 -9.218 8.302 1.00 0.00 C ATOM 1219 C GLN A 79 2.594 -8.647 9.481 1.00 0.00 C ATOM 1220 O GLN A 79 1.897 -9.371 10.189 1.00 0.00 O ATOM 1221 CB GLN A 79 3.548 -10.725 8.495 1.00 0.00 C ATOM 1222 CG GLN A 79 4.451 -10.970 9.707 1.00 0.00 C ATOM 1223 CD GLN A 79 4.700 -12.465 9.882 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.821 -13.279 9.598 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.854 -12.874 10.335 1.00 0.00 N ATOM 0 H GLN A 79 5.183 -8.513 9.113 1.00 0.00 H new ATOM 0 HA GLN A 79 2.828 -9.026 7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.578 -11.199 8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.986 -11.171 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.399 -10.449 9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.986 -10.563 10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.579 -12.196 10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.030 -13.871 10.455 1.00 0.00 H new ATOM 1234 N LEU A 80 2.739 -7.345 9.698 1.00 0.00 N ATOM 1235 CA LEU A 80 2.072 -6.683 10.815 1.00 0.00 C ATOM 1236 C LEU A 80 0.546 -6.711 10.651 1.00 0.00 C ATOM 1237 O LEU A 80 -0.184 -6.522 11.623 1.00 0.00 O ATOM 1238 CB LEU A 80 2.515 -5.213 10.911 1.00 0.00 C ATOM 1239 CG LEU A 80 4.010 -5.065 10.610 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.409 -3.611 10.821 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.841 -5.951 11.537 1.00 0.00 C ATOM 0 H LEU A 80 3.309 -6.729 9.119 1.00 0.00 H new ATOM 0 HA LEU A 80 2.350 -7.224 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.939 -4.610 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.303 -4.831 11.909 1.00 0.00 H new ATOM 0 HG LEU A 80 4.196 -5.370 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.472 -3.491 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.832 -2.974 10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.210 -3.325 11.854 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.899 -5.829 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.661 -5.663 12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.556 -6.994 11.396 1.00 0.00 H new ATOM 1253 N LEU A 81 0.065 -6.923 9.421 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.393 -6.940 9.158 1.00 0.00 C ATOM 1255 C LEU A 81 -1.890 -8.333 8.772 1.00 0.00 C ATOM 1256 O LEU A 81 -1.213 -9.082 8.070 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.744 -5.976 8.008 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.896 -4.712 8.094 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.238 -3.777 6.926 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.177 -3.990 9.406 1.00 0.00 C ATOM 0 H LEU A 81 0.647 -7.084 8.599 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.879 -6.631 10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.578 -6.468 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.801 -5.716 8.054 1.00 0.00 H new ATOM 0 HG LEU A 81 0.157 -4.990 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.629 -2.875 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.035 -4.284 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.293 -3.507 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.568 -3.088 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.232 -3.720 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.932 -4.645 10.242 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.101 -8.650 9.233 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.740 -9.934 8.938 1.00 0.00 C ATOM 1274 C GLU A 82 -4.984 -9.726 8.078 1.00 0.00 C ATOM 1275 O GLU A 82 -5.802 -8.846 8.334 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.113 -10.640 10.239 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.834 -11.059 10.962 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.175 -11.711 12.294 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.353 -11.886 12.562 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.254 -12.030 13.029 1.00 0.00 O ATOM 0 H GLU A 82 -3.663 -8.030 9.817 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.037 -10.556 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.703 -9.977 10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.731 -11.513 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.268 -11.755 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.198 -10.189 11.126 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.111 -10.538 7.045 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.236 -10.441 6.124 1.00 0.00 C ATOM 1289 C VAL A 83 -7.570 -10.440 6.866 1.00 0.00 C ATOM 1290 O VAL A 83 -8.411 -9.564 6.658 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.177 -11.652 5.188 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.412 -11.680 4.271 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.882 -11.604 4.361 1.00 0.00 C ATOM 0 H VAL A 83 -4.446 -11.278 6.819 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.167 -9.505 5.570 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.178 -12.566 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.356 -12.546 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.315 -11.744 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.441 -10.770 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.843 -12.467 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.862 -10.689 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.022 -11.622 5.030 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.766 -11.439 7.708 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.010 -11.569 8.455 1.00 0.00 C ATOM 1305 C ASP A 84 -9.353 -10.280 9.196 1.00 0.00 C ATOM 1306 O ASP A 84 -10.498 -9.836 9.184 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.882 -12.712 9.459 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.870 -14.047 8.727 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.244 -14.068 7.564 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.481 -15.030 9.335 1.00 0.00 O ATOM 0 H ASP A 84 -7.082 -12.173 7.893 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.811 -11.777 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.966 -12.597 10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.712 -12.682 10.165 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.365 -9.694 9.847 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.596 -8.464 10.590 1.00 0.00 C ATOM 1317 C ASP A 85 -8.977 -7.332 9.645 1.00 0.00 C ATOM 1318 O ASP A 85 -9.870 -6.532 9.934 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.329 -8.090 11.377 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.333 -7.310 10.501 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.686 -6.233 10.045 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.233 -7.791 10.312 1.00 0.00 O ATOM 0 H ASP A 85 -7.407 -10.042 9.878 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.420 -8.623 11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.602 -7.488 12.244 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.853 -8.995 11.754 1.00 0.00 H new ATOM 1327 N MET A 86 -8.287 -7.274 8.512 1.00 0.00 N ATOM 1328 CA MET A 86 -8.551 -6.238 7.531 1.00 0.00 C ATOM 1329 C MET A 86 -9.973 -6.364 7.026 1.00 0.00 C ATOM 1330 O MET A 86 -10.707 -5.383 6.922 1.00 0.00 O ATOM 1331 CB MET A 86 -7.588 -6.388 6.348 1.00 0.00 C ATOM 1332 CG MET A 86 -6.129 -6.084 6.782 1.00 0.00 C ATOM 1333 SD MET A 86 -5.299 -5.126 5.488 1.00 0.00 S ATOM 1334 CE MET A 86 -5.651 -3.489 6.174 1.00 0.00 C ATOM 0 H MET A 86 -7.548 -7.928 8.255 1.00 0.00 H new ATOM 0 HA MET A 86 -8.411 -5.263 7.998 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.650 -7.401 5.949 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.882 -5.711 5.546 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.126 -5.528 7.719 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.591 -7.015 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.485 -2.731 5.409 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.689 -3.449 6.505 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.992 -3.300 7.021 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.342 -7.595 6.724 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.671 -7.894 6.230 1.00 0.00 C ATOM 1346 C VAL A 87 -12.726 -7.611 7.293 1.00 0.00 C ATOM 1347 O VAL A 87 -13.768 -7.022 7.002 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.736 -9.366 5.815 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.173 -9.743 5.431 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.801 -9.589 4.623 1.00 0.00 C ATOM 0 H VAL A 87 -9.734 -8.409 6.814 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.876 -7.256 5.370 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.424 -9.994 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.208 -10.792 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.832 -9.583 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.502 -9.122 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.841 -10.635 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.115 -8.958 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.781 -9.332 4.908 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.454 -8.032 8.523 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.392 -7.824 9.620 1.00 0.00 C ATOM 1362 C ARG A 88 -13.458 -6.361 10.038 1.00 0.00 C ATOM 1363 O ARG A 88 -14.542 -5.795 10.185 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.943 -8.664 10.819 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.190 -10.145 10.516 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.635 -11.005 11.652 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.393 -10.768 12.873 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.040 -11.327 14.024 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.786 -11.336 14.388 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.946 -11.869 14.792 1.00 0.00 N ATOM 0 H ARG A 88 -11.596 -8.517 8.785 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.384 -8.123 9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.886 -8.493 11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.492 -8.367 11.713 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.258 -10.328 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.713 -10.418 9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.688 -12.059 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.583 -10.771 11.816 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.212 -10.160 12.843 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.078 -10.913 13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.515 -11.766 15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.926 -11.863 14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.674 -12.298 15.676 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.296 -5.755 10.240 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.246 -4.361 10.653 1.00 0.00 C ATOM 1386 C LEU A 89 -12.838 -3.462 9.574 1.00 0.00 C ATOM 1387 O LEU A 89 -13.691 -2.616 9.847 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.789 -3.951 10.904 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.228 -4.677 12.141 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.705 -4.499 12.190 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.853 -4.104 13.431 1.00 0.00 C ATOM 0 H LEU A 89 -11.386 -6.201 10.126 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.828 -4.249 11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.183 -4.189 10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.729 -2.872 11.050 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.475 -5.736 12.070 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.307 -5.012 13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.260 -4.920 11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.465 -3.438 12.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.446 -4.628 14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.620 -3.042 13.507 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.934 -4.237 13.402 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.335 -3.623 8.356 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.775 -2.786 7.247 1.00 0.00 C ATOM 1405 C ALA A 90 -12.475 -1.344 7.626 1.00 0.00 C ATOM 1406 O ALA A 90 -13.122 -0.408 7.160 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.276 -2.967 6.993 1.00 0.00 C ATOM 0 H ALA A 90 -11.629 -4.318 8.113 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.254 -3.064 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.583 -2.333 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.481 -4.010 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.833 -2.687 7.887 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.463 -1.215 8.485 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.001 0.077 8.993 1.00 0.00 C ATOM 1415 C VAL A 91 -9.602 -0.075 9.608 1.00 0.00 C ATOM 1416 O VAL A 91 -9.476 -0.303 10.810 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.967 0.593 10.083 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.377 1.849 10.756 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.330 0.942 9.462 1.00 0.00 C ATOM 0 H VAL A 91 -10.938 -2.009 8.850 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.968 0.785 8.165 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.102 -0.191 10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.063 2.207 11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.419 1.601 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.231 2.628 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.002 1.304 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.198 1.717 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.757 0.053 8.999 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.551 0.046 8.828 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.164 -0.080 9.352 1.00 0.00 C ATOM 1431 C PRO A 92 -6.773 1.136 10.187 1.00 0.00 C ATOM 1432 O PRO A 92 -7.606 1.988 10.492 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.273 -0.224 8.094 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.201 -0.203 6.905 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.563 0.316 7.389 1.00 0.00 C ATOM 0 HA PRO A 92 -7.055 -0.934 10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.550 0.590 8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.705 -1.154 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.803 0.440 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.301 -1.201 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.681 1.380 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.386 -0.198 6.893 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.495 1.208 10.543 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.982 2.325 11.335 1.00 0.00 C ATOM 1445 C ASP A 93 -3.787 2.958 10.629 1.00 0.00 C ATOM 1446 O ASP A 93 -2.865 2.270 10.194 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.595 1.846 12.730 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.299 3.042 13.625 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.223 4.141 13.100 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.147 2.845 14.819 1.00 0.00 O ATOM 0 H ASP A 93 -4.795 0.508 10.297 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.762 3.079 11.437 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.403 1.252 13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.720 1.199 12.672 1.00 0.00 H new ATOM 1455 N SER A 94 -3.832 4.274 10.498 1.00 0.00 N ATOM 1456 CA SER A 94 -2.770 5.011 9.818 1.00 0.00 C ATOM 1457 C SER A 94 -1.395 4.573 10.293 1.00 0.00 C ATOM 1458 O SER A 94 -0.428 4.605 9.534 1.00 0.00 O ATOM 1459 CB SER A 94 -2.928 6.508 10.076 1.00 0.00 C ATOM 1460 OG SER A 94 -2.721 6.769 11.458 1.00 0.00 O ATOM 0 H SER A 94 -4.591 4.857 10.852 1.00 0.00 H new ATOM 0 HA SER A 94 -2.854 4.800 8.752 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.212 7.070 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.923 6.838 9.776 1.00 0.00 H new ATOM 0 HG SER A 94 -2.820 7.729 11.628 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.318 4.150 11.540 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.053 3.697 12.093 1.00 0.00 C ATOM 1468 C LYS A 95 0.294 2.307 11.572 1.00 0.00 C ATOM 1469 O LYS A 95 1.459 1.990 11.354 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.136 3.659 13.617 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.182 2.600 14.057 1.00 0.00 C ATOM 1472 CD LYS A 95 -0.482 1.303 14.502 1.00 0.00 C ATOM 1473 CE LYS A 95 0.022 1.453 15.939 1.00 0.00 C ATOM 1474 NZ LYS A 95 0.507 0.134 16.422 1.00 0.00 N ATOM 0 H LYS A 95 -2.107 4.110 12.185 1.00 0.00 H new ATOM 0 HA LYS A 95 0.726 4.395 11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.840 3.417 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.414 4.641 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.785 2.994 14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.863 2.388 13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.175 0.464 14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.352 1.082 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.826 2.188 15.981 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.778 1.818 16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.852 0.227 17.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.272 -0.554 16.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.282 -0.196 15.812 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.727 1.477 11.370 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.513 0.123 10.877 1.00 0.00 C ATOM 1490 C CYS A 96 -0.021 0.149 9.440 1.00 0.00 C ATOM 1491 O CYS A 96 0.952 -0.522 9.092 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.819 -0.685 10.980 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.912 -0.347 9.571 1.00 0.00 S ATOM 0 H CYS A 96 -1.704 1.718 11.539 1.00 0.00 H new ATOM 0 HA CYS A 96 0.250 -0.356 11.491 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.589 -1.750 11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.332 -0.436 11.909 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.211 0.918 9.547 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.703 0.934 8.614 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.340 1.060 7.216 1.00 0.00 C ATOM 1501 C VAL A 97 0.999 1.752 7.110 1.00 0.00 C ATOM 1502 O VAL A 97 1.869 1.352 6.339 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.391 1.887 6.473 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.973 2.046 5.010 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.756 1.190 6.555 1.00 0.00 C ATOM 0 H VAL A 97 -1.510 1.491 8.893 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.284 0.067 6.771 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.469 2.872 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.721 2.635 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.010 2.553 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.890 1.063 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.500 1.784 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.688 0.202 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.051 1.089 7.600 1.00 0.00 H new ATOM 1515 N TYR A 98 1.153 2.806 7.900 1.00 0.00 N ATOM 1516 CA TYR A 98 2.385 3.568 7.904 1.00 0.00 C ATOM 1517 C TYR A 98 3.547 2.677 8.296 1.00 0.00 C ATOM 1518 O TYR A 98 4.561 2.628 7.605 1.00 0.00 O ATOM 1519 CB TYR A 98 2.266 4.721 8.902 1.00 0.00 C ATOM 1520 CG TYR A 98 3.600 5.410 9.044 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.581 4.855 9.876 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.856 6.595 8.348 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.822 5.487 10.007 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.099 7.228 8.484 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.081 6.673 9.312 1.00 0.00 C ATOM 1526 OH TYR A 98 7.308 7.291 9.436 1.00 0.00 O ATOM 0 H TYR A 98 0.440 3.149 8.543 1.00 0.00 H new ATOM 0 HA TYR A 98 2.563 3.964 6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.513 5.432 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.936 4.344 9.870 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.380 3.941 10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.098 7.021 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.581 5.059 10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.299 8.145 7.949 1.00 0.00 H new ATOM 0 HH TYR A 98 7.323 8.102 8.887 1.00 0.00 H new ATOM 1536 N THR A 99 3.390 1.970 9.406 1.00 0.00 N ATOM 1537 CA THR A 99 4.438 1.085 9.879 1.00 0.00 C ATOM 1538 C THR A 99 4.760 0.043 8.822 1.00 0.00 C ATOM 1539 O THR A 99 5.929 -0.249 8.558 1.00 0.00 O ATOM 1540 CB THR A 99 4.006 0.391 11.172 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.585 1.364 12.116 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.178 -0.406 11.742 1.00 0.00 C ATOM 0 H THR A 99 2.554 1.993 9.990 1.00 0.00 H new ATOM 0 HA THR A 99 5.329 1.681 10.078 1.00 0.00 H new ATOM 0 HB THR A 99 3.179 -0.287 10.960 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.606 1.399 12.135 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.868 -0.900 12.663 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.495 -1.156 11.017 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.008 0.268 11.953 1.00 0.00 H new ATOM 1550 N TYR A 100 3.724 -0.512 8.203 1.00 0.00 N ATOM 1551 CA TYR A 100 3.910 -1.513 7.166 1.00 0.00 C ATOM 1552 C TYR A 100 4.676 -0.918 5.992 1.00 0.00 C ATOM 1553 O TYR A 100 5.668 -1.480 5.525 1.00 0.00 O ATOM 1554 CB TYR A 100 2.540 -1.956 6.670 1.00 0.00 C ATOM 1555 CG TYR A 100 2.704 -3.119 5.729 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.029 -2.892 4.389 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.521 -4.422 6.195 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.173 -3.974 3.515 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.665 -5.504 5.324 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.990 -5.281 3.981 1.00 0.00 C ATOM 1561 OH TYR A 100 3.133 -6.349 3.120 1.00 0.00 O ATOM 0 H TYR A 100 2.750 -0.285 8.403 1.00 0.00 H new ATOM 0 HA TYR A 100 4.470 -2.354 7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.910 -2.241 7.513 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.040 -1.131 6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.169 -1.883 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.268 -4.594 7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.426 -3.801 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.526 -6.512 5.686 1.00 0.00 H new ATOM 0 HH TYR A 100 4.085 -6.549 3.002 1.00 0.00 H new ATOM 1571 N ILE A 101 4.194 0.228 5.530 1.00 0.00 N ATOM 1572 CA ILE A 101 4.808 0.931 4.413 1.00 0.00 C ATOM 1573 C ILE A 101 6.235 1.318 4.789 1.00 0.00 C ATOM 1574 O ILE A 101 7.158 1.216 3.980 1.00 0.00 O ATOM 1575 CB ILE A 101 3.988 2.194 4.077 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.611 1.800 3.496 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.748 3.066 3.072 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.706 1.375 2.016 1.00 0.00 C ATOM 0 H ILE A 101 3.372 0.693 5.916 1.00 0.00 H new ATOM 0 HA ILE A 101 4.828 0.283 3.537 1.00 0.00 H new ATOM 0 HB ILE A 101 3.834 2.762 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.192 0.982 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.925 2.642 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.159 3.954 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.705 3.365 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.922 2.500 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.715 1.107 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.100 2.202 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.371 0.516 1.926 1.00 0.00 H new ATOM 1590 N GLN A 102 6.392 1.759 6.029 1.00 0.00 N ATOM 1591 CA GLN A 102 7.698 2.165 6.538 1.00 0.00 C ATOM 1592 C GLN A 102 8.743 1.094 6.261 1.00 0.00 C ATOM 1593 O GLN A 102 9.727 1.333 5.559 1.00 0.00 O ATOM 1594 CB GLN A 102 7.621 2.387 8.049 1.00 0.00 C ATOM 1595 CG GLN A 102 8.864 3.146 8.516 1.00 0.00 C ATOM 1596 CD GLN A 102 8.759 3.452 10.005 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.797 3.045 10.658 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.697 4.150 10.584 1.00 0.00 N ATOM 0 H GLN A 102 5.632 1.846 6.703 1.00 0.00 H new ATOM 0 HA GLN A 102 7.983 3.088 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.722 2.950 8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.551 1.429 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.757 2.553 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.967 4.073 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.492 4.485 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.635 4.360 11.580 1.00 0.00 H new ATOM 1607 N GLU A 103 8.528 -0.079 6.840 1.00 0.00 N ATOM 1608 CA GLU A 103 9.471 -1.171 6.665 1.00 0.00 C ATOM 1609 C GLU A 103 9.632 -1.477 5.183 1.00 0.00 C ATOM 1610 O GLU A 103 10.743 -1.680 4.693 1.00 0.00 O ATOM 1611 CB GLU A 103 8.973 -2.412 7.412 1.00 0.00 C ATOM 1612 CG GLU A 103 10.010 -3.534 7.309 1.00 0.00 C ATOM 1613 CD GLU A 103 11.278 -3.139 8.057 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.188 -2.282 8.923 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.319 -3.696 7.755 1.00 0.00 O ATOM 0 H GLU A 103 7.722 -0.296 7.426 1.00 0.00 H new ATOM 0 HA GLU A 103 10.439 -0.881 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.791 -2.168 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.023 -2.743 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.604 -4.456 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.242 -3.732 6.262 1.00 0.00 H new ATOM 1622 N LEU A 104 8.513 -1.511 4.479 1.00 0.00 N ATOM 1623 CA LEU A 104 8.515 -1.797 3.054 1.00 0.00 C ATOM 1624 C LEU A 104 9.315 -0.754 2.294 1.00 0.00 C ATOM 1625 O LEU A 104 10.119 -1.084 1.428 1.00 0.00 O ATOM 1626 CB LEU A 104 7.072 -1.752 2.568 1.00 0.00 C ATOM 1627 CG LEU A 104 6.966 -2.169 1.091 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.368 -3.644 0.923 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.516 -1.972 0.623 1.00 0.00 C ATOM 0 H LEU A 104 7.587 -1.343 4.873 1.00 0.00 H new ATOM 0 HA LEU A 104 8.966 -2.774 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.459 -2.414 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.675 -0.744 2.693 1.00 0.00 H new ATOM 0 HG LEU A 104 7.639 -1.555 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.288 -3.926 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.396 -3.781 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.705 -4.272 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.428 -2.265 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.851 -2.588 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.238 -0.924 0.731 1.00 0.00 H new ATOM 1641 N TYR A 105 9.084 0.506 2.630 1.00 0.00 N ATOM 1642 CA TYR A 105 9.773 1.604 1.972 1.00 0.00 C ATOM 1643 C TYR A 105 11.267 1.386 2.047 1.00 0.00 C ATOM 1644 O TYR A 105 11.989 1.536 1.061 1.00 0.00 O ATOM 1645 CB TYR A 105 9.421 2.903 2.693 1.00 0.00 C ATOM 1646 CG TYR A 105 10.141 4.064 2.049 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.679 4.579 0.834 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.262 4.630 2.668 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.338 5.658 0.234 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.922 5.709 2.070 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.460 6.224 0.853 1.00 0.00 C ATOM 1652 OH TYR A 105 12.106 7.289 0.265 1.00 0.00 O ATOM 0 H TYR A 105 8.425 0.793 3.354 1.00 0.00 H new ATOM 0 HA TYR A 105 9.469 1.656 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.344 3.068 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.698 2.831 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.813 4.144 0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.617 4.233 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.982 6.054 -0.706 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.788 6.144 2.547 1.00 0.00 H new ATOM 0 HH TYR A 105 12.863 7.562 0.824 1.00 0.00 H new ATOM 1662 N ARG A 106 11.718 1.064 3.238 1.00 0.00 N ATOM 1663 CA ARG A 106 13.132 0.857 3.478 1.00 0.00 C ATOM 1664 C ARG A 106 13.669 -0.282 2.615 1.00 0.00 C ATOM 1665 O ARG A 106 14.735 -0.157 2.016 1.00 0.00 O ATOM 1666 CB ARG A 106 13.330 0.566 4.959 1.00 0.00 C ATOM 1667 CG ARG A 106 13.084 1.860 5.739 1.00 0.00 C ATOM 1668 CD ARG A 106 13.210 1.601 7.236 1.00 0.00 C ATOM 1669 NE ARG A 106 12.931 2.825 7.977 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.268 2.943 9.253 1.00 0.00 C ATOM 1671 NH1 ARG A 106 12.616 2.272 10.163 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.253 3.726 9.598 1.00 0.00 N ATOM 0 H ARG A 106 11.126 0.939 4.059 1.00 0.00 H new ATOM 0 HA ARG A 106 13.689 1.753 3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.642 -0.213 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.340 0.198 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.802 2.621 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.091 2.248 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.516 0.817 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.214 1.245 7.469 1.00 0.00 H new ATOM 0 HE ARG A 106 12.469 3.603 7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.848 1.658 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.874 2.362 11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.764 4.247 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.512 3.817 10.580 1.00 0.00 H new ATOM 1686 N SER A 107 12.923 -1.375 2.528 1.00 0.00 N ATOM 1687 CA SER A 107 13.361 -2.496 1.703 1.00 0.00 C ATOM 1688 C SER A 107 13.547 -2.033 0.258 1.00 0.00 C ATOM 1689 O SER A 107 14.509 -2.417 -0.408 1.00 0.00 O ATOM 1690 CB SER A 107 12.336 -3.632 1.753 1.00 0.00 C ATOM 1691 OG SER A 107 12.241 -4.124 3.085 1.00 0.00 O ATOM 0 H SER A 107 12.032 -1.510 3.006 1.00 0.00 H new ATOM 0 HA SER A 107 14.310 -2.864 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.363 -3.274 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.633 -4.434 1.077 1.00 0.00 H new ATOM 0 HG SER A 107 11.803 -3.454 3.651 1.00 0.00 H new ATOM 1697 N LEU A 108 12.623 -1.197 -0.219 1.00 0.00 N ATOM 1698 CA LEU A 108 12.690 -0.679 -1.586 1.00 0.00 C ATOM 1699 C LEU A 108 13.939 0.180 -1.774 1.00 0.00 C ATOM 1700 O LEU A 108 14.566 0.154 -2.832 1.00 0.00 O ATOM 1701 CB LEU A 108 11.470 0.196 -1.893 1.00 0.00 C ATOM 1702 CG LEU A 108 10.177 -0.625 -1.816 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.978 0.317 -1.973 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.144 -1.687 -2.925 1.00 0.00 C ATOM 0 H LEU A 108 11.822 -0.865 0.319 1.00 0.00 H new ATOM 0 HA LEU A 108 12.717 -1.537 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.423 1.024 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.571 0.632 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 108 10.134 -1.131 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.054 -0.258 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.991 1.058 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.036 0.822 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.219 -2.259 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.194 -1.199 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.995 -2.358 -2.811 1.00 0.00 H new ATOM 1716 N VAL A 109 14.273 0.966 -0.755 1.00 0.00 N ATOM 1717 CA VAL A 109 15.424 1.849 -0.837 1.00 0.00 C ATOM 1718 C VAL A 109 16.701 1.041 -1.028 1.00 0.00 C ATOM 1719 O VAL A 109 17.520 1.363 -1.888 1.00 0.00 O ATOM 1720 CB VAL A 109 15.510 2.698 0.436 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.831 3.470 0.461 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.341 3.690 0.456 1.00 0.00 C ATOM 0 H VAL A 109 13.766 1.008 0.129 1.00 0.00 H new ATOM 0 HA VAL A 109 15.308 2.509 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 109 15.461 2.047 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.884 4.071 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.664 2.767 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.887 4.123 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.395 4.298 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.397 4.336 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.399 3.142 0.443 1.00 0.00 H new ATOM 1732 N GLN A 110 16.859 -0.012 -0.238 1.00 0.00 N ATOM 1733 CA GLN A 110 18.043 -0.847 -0.361 1.00 0.00 C ATOM 1734 C GLN A 110 18.057 -1.500 -1.733 1.00 0.00 C ATOM 1735 O GLN A 110 19.067 -1.487 -2.437 1.00 0.00 O ATOM 1736 CB GLN A 110 18.053 -1.939 0.731 1.00 0.00 C ATOM 1737 CG GLN A 110 17.429 -1.405 2.040 1.00 0.00 C ATOM 1738 CD GLN A 110 18.213 -1.901 3.258 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.402 -1.612 3.393 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.612 -2.635 4.155 1.00 0.00 N ATOM 0 H GLN A 110 16.196 -0.304 0.481 1.00 0.00 H new ATOM 0 HA GLN A 110 18.928 -0.223 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.497 -2.811 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 110 19.076 -2.266 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.421 -0.315 2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.391 -1.730 2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.627 -2.874 4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 110 18.128 -2.970 4.969 1.00 0.00 H new ATOM 1749 N LYS A 111 16.918 -2.068 -2.102 1.00 0.00 N ATOM 1750 CA LYS A 111 16.790 -2.730 -3.394 1.00 0.00 C ATOM 1751 C LYS A 111 17.039 -1.738 -4.529 1.00 0.00 C ATOM 1752 O LYS A 111 17.375 -2.134 -5.646 1.00 0.00 O ATOM 1753 CB LYS A 111 15.389 -3.348 -3.538 1.00 0.00 C ATOM 1754 CG LYS A 111 15.262 -4.624 -2.677 1.00 0.00 C ATOM 1755 CD LYS A 111 15.834 -5.836 -3.430 1.00 0.00 C ATOM 1756 CE LYS A 111 15.552 -7.119 -2.645 1.00 0.00 C ATOM 1757 NZ LYS A 111 16.309 -7.101 -1.362 1.00 0.00 N ATOM 0 H LYS A 111 16.074 -2.085 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 111 17.536 -3.523 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.634 -2.623 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.198 -3.589 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.793 -4.489 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.215 -4.802 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.388 -5.902 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.908 -5.714 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.484 -7.208 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.840 -7.989 -3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.266 -8.042 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.301 -6.851 -1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.889 -6.398 -0.721 1.00 0.00 H new ATOM 1771 N GLY A 112 16.859 -0.452 -4.238 1.00 0.00 N ATOM 1772 CA GLY A 112 17.057 0.586 -5.248 1.00 0.00 C ATOM 1773 C GLY A 112 15.844 0.650 -6.158 1.00 0.00 C ATOM 1774 O GLY A 112 15.898 1.173 -7.272 1.00 0.00 O ATOM 0 H GLY A 112 16.579 -0.105 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.214 1.551 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.952 0.373 -5.833 1.00 0.00 H new ATOM 1778 N LEU A 113 14.748 0.111 -5.648 1.00 0.00 N ATOM 1779 CA LEU A 113 13.485 0.095 -6.365 1.00 0.00 C ATOM 1780 C LEU A 113 12.827 1.476 -6.359 1.00 0.00 C ATOM 1781 O LEU A 113 12.275 1.916 -7.367 1.00 0.00 O ATOM 1782 CB LEU A 113 12.556 -0.932 -5.693 1.00 0.00 C ATOM 1783 CG LEU A 113 12.832 -2.347 -6.232 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.262 -3.386 -5.250 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.154 -2.530 -7.616 1.00 0.00 C ATOM 0 H LEU A 113 14.710 -0.327 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 113 13.668 -0.179 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.705 -0.913 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.516 -0.664 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 113 13.908 -2.485 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.456 -4.389 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.739 -3.267 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.187 -3.238 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.355 -3.534 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.078 -2.389 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.553 -1.796 -8.316 1.00 0.00 H new ATOM 1797 N VAL A 114 12.850 2.132 -5.198 1.00 0.00 N ATOM 1798 CA VAL A 114 12.212 3.440 -5.054 1.00 0.00 C ATOM 1799 C VAL A 114 12.502 4.334 -6.264 1.00 0.00 C ATOM 1800 O VAL A 114 11.595 4.666 -7.026 1.00 0.00 O ATOM 1801 CB VAL A 114 12.694 4.101 -3.744 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.212 5.555 -3.661 1.00 0.00 C ATOM 1803 CG2 VAL A 114 12.156 3.316 -2.534 1.00 0.00 C ATOM 0 H VAL A 114 13.299 1.783 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 114 11.131 3.305 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 114 13.784 4.090 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.562 6.002 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.608 6.118 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.123 5.579 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 114 12.499 3.787 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.066 3.315 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.521 2.290 -2.575 1.00 0.00 H new ATOM 1813 N LYS A 115 13.757 4.699 -6.450 1.00 0.00 N ATOM 1814 CA LYS A 115 14.138 5.544 -7.585 1.00 0.00 C ATOM 1815 C LYS A 115 14.124 4.735 -8.883 1.00 0.00 C ATOM 1816 O LYS A 115 15.168 4.495 -9.490 1.00 0.00 O ATOM 1817 CB LYS A 115 15.537 6.123 -7.353 1.00 0.00 C ATOM 1818 CG LYS A 115 15.503 7.090 -6.156 1.00 0.00 C ATOM 1819 CD LYS A 115 16.921 7.641 -5.869 1.00 0.00 C ATOM 1820 CE LYS A 115 17.635 6.767 -4.829 1.00 0.00 C ATOM 1821 NZ LYS A 115 17.307 5.331 -5.063 1.00 0.00 N ATOM 0 H LYS A 115 14.529 4.431 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 115 13.418 6.358 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.248 5.319 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.878 6.646 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.821 7.914 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.120 6.575 -5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.501 7.667 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.853 8.667 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.713 6.918 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.330 7.060 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.780 4.745 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.278 5.195 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.634 5.050 -6.009 1.00 0.00 H new ATOM 1835 N THR A 116 12.927 4.316 -9.299 1.00 0.00 N ATOM 1836 CA THR A 116 12.779 3.523 -10.518 1.00 0.00 C ATOM 1837 C THR A 116 13.184 4.327 -11.746 1.00 0.00 C ATOM 1838 O THR A 116 14.099 3.951 -12.470 1.00 0.00 O ATOM 1839 CB THR A 116 11.325 3.060 -10.658 1.00 0.00 C ATOM 1840 OG1 THR A 116 10.878 2.530 -9.418 1.00 0.00 O ATOM 1841 CG2 THR A 116 11.233 1.982 -11.736 1.00 0.00 C ATOM 0 H THR A 116 12.052 4.512 -8.812 1.00 0.00 H new ATOM 0 HA THR A 116 13.435 2.656 -10.446 1.00 0.00 H new ATOM 0 HB THR A 116 10.699 3.907 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.635 2.131 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.198 1.653 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.577 2.388 -12.687 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.858 1.134 -11.457 1.00 0.00 H new ATOM 1849 N LYS A 117 12.477 5.417 -11.983 1.00 0.00 N ATOM 1850 CA LYS A 117 12.737 6.269 -13.136 1.00 0.00 C ATOM 1851 C LYS A 117 14.207 6.664 -13.179 1.00 0.00 C ATOM 1852 O LYS A 117 14.828 6.887 -12.145 1.00 0.00 O ATOM 1853 CB LYS A 117 11.876 7.539 -13.046 1.00 0.00 C ATOM 1854 CG LYS A 117 10.460 7.246 -13.544 1.00 0.00 C ATOM 1855 CD LYS A 117 9.818 6.182 -12.653 1.00 0.00 C ATOM 1856 CE LYS A 117 8.314 6.138 -12.916 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.071 5.871 -14.362 1.00 0.00 N ATOM 0 H LYS A 117 11.712 5.737 -11.389 1.00 0.00 H new ATOM 0 HA LYS A 117 12.487 5.717 -14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.842 7.893 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.323 8.335 -13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.862 8.157 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.490 6.901 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.262 5.207 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.008 6.408 -11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.850 5.361 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 117 7.856 7.084 -12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.084 5.574 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.251 6.736 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.708 5.116 -14.687 1.00 0.00 H new ATOM 1871 N LYS A 118 14.748 6.752 -14.387 1.00 0.00 N ATOM 1872 CA LYS A 118 16.154 7.133 -14.577 1.00 0.00 C ATOM 1873 C LYS A 118 16.263 8.248 -15.616 1.00 0.00 C ATOM 1874 O LYS A 118 15.853 8.083 -16.766 1.00 0.00 O ATOM 1875 CB LYS A 118 16.966 5.913 -15.031 1.00 0.00 C ATOM 1876 CG LYS A 118 17.015 4.868 -13.904 1.00 0.00 C ATOM 1877 CD LYS A 118 17.745 3.613 -14.401 1.00 0.00 C ATOM 1878 CE LYS A 118 17.789 2.554 -13.294 1.00 0.00 C ATOM 1879 NZ LYS A 118 18.441 1.317 -13.816 1.00 0.00 N ATOM 0 H LYS A 118 14.241 6.566 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 118 16.553 7.496 -13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 118 16.516 5.477 -15.923 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.977 6.218 -15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 118 17.527 5.279 -13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 118 16.004 4.612 -13.587 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.238 3.212 -15.278 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.758 3.871 -14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.341 2.934 -12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.779 2.329 -12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.471 0.598 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 17.897 0.952 -14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 19.410 1.538 -14.123 1.00 0.00 H new ATOM 1893 N LYS A 119 16.818 9.387 -15.203 1.00 0.00 N ATOM 1894 CA LYS A 119 16.973 10.522 -16.108 1.00 0.00 C ATOM 1895 C LYS A 119 17.970 10.195 -17.214 1.00 0.00 C ATOM 1896 O LYS A 119 17.872 10.793 -18.273 1.00 0.00 O ATOM 1897 CB LYS A 119 17.448 11.755 -15.331 1.00 0.00 C ATOM 1898 CG LYS A 119 18.832 11.493 -14.729 1.00 0.00 C ATOM 1899 CD LYS A 119 19.258 12.705 -13.899 1.00 0.00 C ATOM 1900 CE LYS A 119 20.663 12.477 -13.336 1.00 0.00 C ATOM 1901 NZ LYS A 119 21.059 13.652 -12.508 1.00 0.00 N ATOM 1902 OXT LYS A 119 18.820 9.351 -16.983 1.00 0.00 O ATOM 0 H LYS A 119 17.164 9.547 -14.257 1.00 0.00 H new ATOM 0 HA LYS A 119 16.005 10.734 -16.561 1.00 0.00 H new ATOM 0 HB2 LYS A 119 17.488 12.620 -15.994 1.00 0.00 H new ATOM 0 HB3 LYS A 119 16.737 11.993 -14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 119 18.807 10.600 -14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 119 19.557 11.307 -15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 119 19.244 13.603 -14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 119 18.551 12.867 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 119 20.683 11.569 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 119 21.374 12.334 -14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 22.013 13.500 -12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 21.055 14.509 -13.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 20.385 13.768 -11.725 1.00 0.00 H new TER 1916 LYS A 119