USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 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 22 TYR OH : rot -140:sc= 0.975 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 175:sc= 1.18 (180deg=-0.0764) USER MOD Set 2.1: A 38 ASN : amide:sc= 0.85 K(o=-0.65,f=-5.6) USER MOD Set 2.2: A 42 SER OG : rot -92:sc= 0.322 USER MOD Set 2.3: A 45 ASN : amide:sc= -2.25! C(o=-0.65!,f=-4.1!) USER MOD Set 2.4: A 49 ASN : amide:sc= 0.433 X(o=-0.65,f=-0.74) USER MOD Set 3.1: A 9 HIS : no HD1:sc= 0 X(o=-0.58,f=-0.59) USER MOD Set 3.2: A 13 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.3) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -168:sc= -0.102! (180deg=-2.45!) USER MOD Set 4.2: A 66 TYR OH : rot 92:sc= 1.62 USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.78) USER MOD Single : A 18 CYS SG : rot 80:sc= -2.17! USER MOD Single : A 20 SER OG : rot 73:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot 87:sc= -0.124 USER MOD Single : A 41 THR OG1 : rot 91:sc= 1.34 USER MOD Single : A 47 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.018) USER MOD Single : A 54 HIS : no HE2:sc= -0.998 K(o=-1,f=-1.9!) USER MOD Single : A 57 SER OG : rot 78:sc= 0.569 USER MOD Single : A 60 MET CE :methyl -120:sc= -1.65 (180deg=-5.6!) USER MOD Single : A 61 SER OG : rot 84:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.886) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= 1.19 (180deg=-1.35) USER MOD Single : A 73 SER OG : rot 87:sc= -0.261! USER MOD Single : A 79 TYR OH : rot 72:sc= 0.472 USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.325 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 88 SER OG : rot 80:sc= 1.16 USER MOD Single : A 89 SER OG : rot 72:sc= 1.25 USER MOD Single : A 90 TYR OH : rot 8:sc= 1.26 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0452 F(o=-0.57!,f=-0.045) USER MOD Single : A 98 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.3!) USER MOD Single : A 101 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.81) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 169:sc= 0.979 USER MOD Single : A 112 SER OG : rot 62:sc= 1.22 USER MOD Single : A 115 TYR OH : rot -98:sc= 0.787 USER MOD Single : A 117 SER OG : rot 82:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -10.477 -15.860 -5.167 1.00 0.00 N ATOM 92 CA LYS A 7 -9.063 -15.779 -5.544 1.00 0.00 C ATOM 93 C LYS A 7 -8.680 -14.431 -6.158 1.00 0.00 C ATOM 94 O LYS A 7 -7.514 -14.029 -6.061 1.00 0.00 O ATOM 95 CB LYS A 7 -8.643 -16.930 -6.471 1.00 0.00 C ATOM 96 CG LYS A 7 -7.510 -17.790 -5.911 1.00 0.00 C ATOM 97 CD LYS A 7 -6.135 -17.209 -6.258 1.00 0.00 C ATOM 98 CE LYS A 7 -5.412 -16.660 -5.026 1.00 0.00 C ATOM 99 NZ LYS A 7 -6.093 -15.483 -4.433 1.00 0.00 N ATOM 0 HA LYS A 7 -8.511 -15.875 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.508 -17.565 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.333 -16.517 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.611 -17.865 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.589 -18.801 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.522 -17.982 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.254 -16.412 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.337 -17.446 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.394 -16.384 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.465 -15.032 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.325 -14.801 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.968 -15.789 -3.962 1.00 0.00 H new ATOM 113 N ARG A 8 -9.623 -13.771 -6.815 1.00 0.00 N ATOM 114 CA ARG A 8 -9.364 -12.475 -7.442 1.00 0.00 C ATOM 115 C ARG A 8 -9.500 -11.312 -6.450 1.00 0.00 C ATOM 116 O ARG A 8 -8.780 -10.309 -6.563 1.00 0.00 O ATOM 117 CB ARG A 8 -10.277 -12.272 -8.645 1.00 0.00 C ATOM 118 CG ARG A 8 -11.734 -12.112 -8.282 1.00 0.00 C ATOM 119 CD ARG A 8 -12.639 -12.990 -9.130 1.00 0.00 C ATOM 120 NE ARG A 8 -13.982 -13.134 -8.542 1.00 0.00 N ATOM 121 CZ ARG A 8 -14.987 -12.238 -8.676 1.00 0.00 C ATOM 122 NH1 ARG A 8 -14.778 -11.081 -9.326 1.00 0.00 N ATOM 123 NH2 ARG A 8 -16.177 -12.497 -8.148 1.00 0.00 N ATOM 0 H ARG A 8 -10.578 -14.110 -6.930 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.329 -12.481 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.949 -11.389 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.171 -13.123 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.873 -12.360 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.024 -11.069 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.725 -12.563 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.186 -13.975 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.168 -13.973 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.860 -10.876 -9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.538 -10.407 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.332 -13.370 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.937 -11.823 -8.247 1.00 0.00 H new ATOM 137 N HIS A 9 -10.459 -11.438 -5.524 1.00 0.00 N ATOM 138 CA HIS A 9 -10.772 -10.393 -4.543 1.00 0.00 C ATOM 139 C HIS A 9 -9.548 -9.929 -3.780 1.00 0.00 C ATOM 140 O HIS A 9 -9.258 -8.742 -3.745 1.00 0.00 O ATOM 141 CB HIS A 9 -11.828 -10.880 -3.538 1.00 0.00 C ATOM 142 CG HIS A 9 -13.233 -10.479 -3.866 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.911 -9.507 -3.163 1.00 0.00 N ATOM 144 CD2 HIS A 9 -14.103 -10.940 -4.804 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.136 -9.391 -3.645 1.00 0.00 C ATOM 146 NE2 HIS A 9 -15.279 -10.248 -4.643 1.00 0.00 N ATOM 0 H HIS A 9 -11.041 -12.271 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.162 -9.550 -5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.779 -11.967 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.575 -10.495 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.906 -11.707 -5.538 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.893 -8.711 -3.285 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -16.123 -10.374 -5.201 1.00 0.00 H new ATOM 155 N ASP A 10 -8.852 -10.865 -3.135 1.00 0.00 N ATOM 156 CA ASP A 10 -7.692 -10.507 -2.297 1.00 0.00 C ATOM 157 C ASP A 10 -6.589 -9.820 -3.091 1.00 0.00 C ATOM 158 O ASP A 10 -6.131 -8.737 -2.703 1.00 0.00 O ATOM 159 CB ASP A 10 -7.150 -11.701 -1.448 1.00 0.00 C ATOM 160 CG ASP A 10 -6.879 -12.986 -2.200 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.882 -13.002 -3.425 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.657 -14.016 -1.526 1.00 0.00 O ATOM 0 H ASP A 10 -9.061 -11.863 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.066 -9.777 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.226 -11.386 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.868 -11.912 -0.656 1.00 0.00 H new ATOM 167 N VAL A 11 -6.190 -10.415 -4.205 1.00 0.00 N ATOM 168 CA VAL A 11 -5.170 -9.815 -5.072 1.00 0.00 C ATOM 169 C VAL A 11 -5.646 -8.436 -5.561 1.00 0.00 C ATOM 170 O VAL A 11 -4.939 -7.424 -5.387 1.00 0.00 O ATOM 171 CB VAL A 11 -4.818 -10.714 -6.305 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.483 -10.298 -6.911 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.782 -12.193 -5.924 1.00 0.00 C ATOM 0 H VAL A 11 -6.552 -11.310 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.264 -9.714 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.603 -10.573 -7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.257 -10.935 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.539 -9.259 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.696 -10.401 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.535 -12.789 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.027 -12.352 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.758 -12.495 -5.544 1.00 0.00 H new ATOM 183 N ALA A 12 -6.876 -8.391 -6.120 1.00 0.00 N ATOM 184 CA ALA A 12 -7.471 -7.128 -6.588 1.00 0.00 C ATOM 185 C ALA A 12 -7.465 -6.112 -5.467 1.00 0.00 C ATOM 186 O ALA A 12 -6.962 -5.004 -5.634 1.00 0.00 O ATOM 187 CB ALA A 12 -8.896 -7.333 -7.101 1.00 0.00 C ATOM 0 H ALA A 12 -7.469 -9.210 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.869 -6.760 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.302 -6.379 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.885 -8.037 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.518 -7.729 -6.298 1.00 0.00 H new ATOM 193 N GLN A 13 -8.000 -6.514 -4.311 1.00 0.00 N ATOM 194 CA GLN A 13 -8.033 -5.672 -3.118 1.00 0.00 C ATOM 195 C GLN A 13 -6.649 -5.104 -2.825 1.00 0.00 C ATOM 196 O GLN A 13 -6.507 -3.901 -2.594 1.00 0.00 O ATOM 197 CB GLN A 13 -8.512 -6.486 -1.909 1.00 0.00 C ATOM 198 CG GLN A 13 -10.022 -6.636 -1.805 1.00 0.00 C ATOM 199 CD GLN A 13 -10.419 -7.780 -0.895 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.283 -8.589 -1.238 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.791 -7.870 0.269 1.00 0.00 N ATOM 0 H GLN A 13 -8.422 -7.433 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.725 -4.850 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.064 -7.478 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.144 -6.012 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.453 -5.708 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.439 -6.802 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.081 -7.182 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.018 -8.627 0.914 1.00 0.00 H new ATOM 210 N LEU A 14 -5.630 -5.978 -2.843 1.00 0.00 N ATOM 211 CA LEU A 14 -4.255 -5.567 -2.570 1.00 0.00 C ATOM 212 C LEU A 14 -3.857 -4.377 -3.437 1.00 0.00 C ATOM 213 O LEU A 14 -3.493 -3.309 -2.911 1.00 0.00 O ATOM 214 CB LEU A 14 -3.269 -6.736 -2.774 1.00 0.00 C ATOM 215 CG LEU A 14 -2.083 -6.825 -1.787 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.586 -5.448 -1.367 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.463 -7.639 -0.568 1.00 0.00 C ATOM 0 H LEU A 14 -5.738 -6.972 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.206 -5.262 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.830 -7.668 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.866 -6.669 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.267 -7.325 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.752 -5.558 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.255 -4.896 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.394 -4.903 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.615 -7.690 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.307 -7.167 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.742 -8.647 -0.876 1.00 0.00 H new ATOM 229 N LYS A 15 -3.947 -4.540 -4.764 1.00 0.00 N ATOM 230 CA LYS A 15 -3.605 -3.446 -5.664 1.00 0.00 C ATOM 231 C LYS A 15 -4.586 -2.287 -5.521 1.00 0.00 C ATOM 232 O LYS A 15 -4.163 -1.164 -5.284 1.00 0.00 O ATOM 233 CB LYS A 15 -3.445 -3.891 -7.138 1.00 0.00 C ATOM 234 CG LYS A 15 -4.637 -4.634 -7.751 1.00 0.00 C ATOM 235 CD LYS A 15 -4.193 -5.566 -8.883 1.00 0.00 C ATOM 236 CE LYS A 15 -3.622 -4.803 -10.089 1.00 0.00 C ATOM 237 NZ LYS A 15 -4.546 -3.755 -10.606 1.00 0.00 N ATOM 0 H LYS A 15 -4.247 -5.400 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.620 -3.092 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.244 -3.007 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.567 -4.533 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.143 -5.213 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.359 -3.913 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.439 -6.257 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.042 -6.167 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.678 -4.339 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.401 -5.511 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.458 -3.694 -11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.525 -4.001 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.301 -2.837 -10.183 1.00 0.00 H new ATOM 251 N PHE A 16 -5.900 -2.579 -5.593 1.00 0.00 N ATOM 252 CA PHE A 16 -6.958 -1.548 -5.420 1.00 0.00 C ATOM 253 C PHE A 16 -6.658 -0.647 -4.222 1.00 0.00 C ATOM 254 O PHE A 16 -6.718 0.590 -4.335 1.00 0.00 O ATOM 255 CB PHE A 16 -8.342 -2.199 -5.218 1.00 0.00 C ATOM 256 CG PHE A 16 -9.119 -2.457 -6.482 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.411 -1.430 -7.361 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.572 -3.730 -6.781 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.135 -1.669 -8.510 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.298 -3.972 -7.927 1.00 0.00 C ATOM 261 CZ PHE A 16 -10.578 -2.939 -8.793 1.00 0.00 C ATOM 0 H PHE A 16 -6.260 -3.517 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.970 -0.948 -6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.208 -3.145 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.937 -1.556 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.068 -0.429 -7.145 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.354 -4.545 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.354 -0.858 -9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.647 -4.970 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.145 -3.126 -9.693 1.00 0.00 H new ATOM 271 N LEU A 17 -6.353 -1.259 -3.073 1.00 0.00 N ATOM 272 CA LEU A 17 -6.045 -0.504 -1.858 1.00 0.00 C ATOM 273 C LEU A 17 -4.828 0.386 -2.078 1.00 0.00 C ATOM 274 O LEU A 17 -4.887 1.595 -1.842 1.00 0.00 O ATOM 275 CB LEU A 17 -5.804 -1.443 -0.660 1.00 0.00 C ATOM 276 CG LEU A 17 -6.966 -1.582 0.345 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.212 -0.275 1.087 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.237 -2.051 -0.351 1.00 0.00 C ATOM 0 H LEU A 17 -6.313 -2.272 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.907 0.123 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.565 -2.434 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.925 -1.090 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.680 -2.337 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.037 -0.404 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.312 0.008 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.463 0.508 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.040 -2.141 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.521 -1.328 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.060 -3.021 -0.817 1.00 0.00 H new ATOM 290 N CYS A 18 -3.737 -0.207 -2.577 1.00 0.00 N ATOM 291 CA CYS A 18 -2.509 0.547 -2.864 1.00 0.00 C ATOM 292 C CYS A 18 -2.775 1.633 -3.910 1.00 0.00 C ATOM 293 O CYS A 18 -2.497 2.809 -3.673 1.00 0.00 O ATOM 294 CB CYS A 18 -1.391 -0.394 -3.328 1.00 0.00 C ATOM 295 SG CYS A 18 -0.921 -1.627 -2.091 1.00 0.00 S ATOM 0 H CYS A 18 -3.678 -1.203 -2.790 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.183 1.033 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.712 -0.906 -4.235 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.514 0.198 -3.589 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.781 -2.602 -2.102 1.00 0.00 H new ATOM 301 N GLU A 19 -3.365 1.235 -5.038 1.00 0.00 N ATOM 302 CA GLU A 19 -3.737 2.152 -6.115 1.00 0.00 C ATOM 303 C GLU A 19 -4.553 3.339 -5.558 1.00 0.00 C ATOM 304 O GLU A 19 -4.189 4.510 -5.767 1.00 0.00 O ATOM 305 CB GLU A 19 -4.526 1.379 -7.196 1.00 0.00 C ATOM 306 CG GLU A 19 -3.675 0.332 -7.940 1.00 0.00 C ATOM 307 CD GLU A 19 -4.344 -0.244 -9.159 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.046 0.496 -9.859 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.156 -1.439 -9.432 1.00 0.00 O ATOM 0 H GLU A 19 -3.599 0.261 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.837 2.563 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.376 0.881 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.930 2.089 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.732 0.790 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.433 -0.479 -7.253 1.00 0.00 H new ATOM 316 N SER A 20 -5.603 3.033 -4.793 1.00 0.00 N ATOM 317 CA SER A 20 -6.419 4.070 -4.150 1.00 0.00 C ATOM 318 C SER A 20 -5.587 4.879 -3.142 1.00 0.00 C ATOM 319 O SER A 20 -5.635 6.112 -3.141 1.00 0.00 O ATOM 320 CB SER A 20 -7.639 3.450 -3.465 1.00 0.00 C ATOM 321 OG SER A 20 -8.347 2.584 -4.368 1.00 0.00 O ATOM 0 H SER A 20 -5.909 2.079 -4.603 1.00 0.00 H new ATOM 0 HA SER A 20 -6.769 4.752 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.322 2.887 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.304 4.239 -3.114 1.00 0.00 H new ATOM 0 HG SER A 20 -7.833 1.760 -4.502 1.00 0.00 H new ATOM 327 N LEU A 21 -4.806 4.181 -2.303 1.00 0.00 N ATOM 328 CA LEU A 21 -3.944 4.847 -1.317 1.00 0.00 C ATOM 329 C LEU A 21 -3.010 5.823 -2.001 1.00 0.00 C ATOM 330 O LEU A 21 -2.840 6.950 -1.536 1.00 0.00 O ATOM 331 CB LEU A 21 -3.141 3.836 -0.484 1.00 0.00 C ATOM 332 CG LEU A 21 -2.186 4.437 0.565 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.741 4.262 1.963 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.799 3.819 0.454 1.00 0.00 C ATOM 0 H LEU A 21 -4.754 3.162 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.594 5.395 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.843 3.177 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.558 3.215 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.098 5.505 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.049 4.694 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.705 4.765 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.869 3.200 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.143 4.260 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.866 2.743 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.394 4.011 -0.539 1.00 0.00 H new ATOM 346 N TYR A 22 -2.411 5.396 -3.111 1.00 0.00 N ATOM 347 CA TYR A 22 -1.526 6.262 -3.878 1.00 0.00 C ATOM 348 C TYR A 22 -2.253 7.546 -4.268 1.00 0.00 C ATOM 349 O TYR A 22 -1.712 8.640 -4.119 1.00 0.00 O ATOM 350 CB TYR A 22 -0.999 5.546 -5.135 1.00 0.00 C ATOM 351 CG TYR A 22 0.313 6.102 -5.665 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.420 6.236 -4.838 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.442 6.479 -6.992 1.00 0.00 C ATOM 354 CE1 TYR A 22 2.610 6.723 -5.313 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.632 6.973 -7.475 1.00 0.00 C ATOM 356 CZ TYR A 22 2.715 7.092 -6.628 1.00 0.00 C ATOM 357 OH TYR A 22 3.924 7.559 -7.113 1.00 0.00 O ATOM 0 H TYR A 22 -2.524 4.458 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.672 6.514 -3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.867 4.488 -4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.752 5.612 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.342 5.951 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.404 6.384 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.461 6.815 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.718 7.266 -8.511 1.00 0.00 H new ATOM 0 HH TYR A 22 3.764 8.307 -7.726 1.00 0.00 H new ATOM 367 N ASP A 23 -3.519 7.407 -4.684 1.00 0.00 N ATOM 368 CA ASP A 23 -4.345 8.565 -5.057 1.00 0.00 C ATOM 369 C ASP A 23 -4.586 9.476 -3.851 1.00 0.00 C ATOM 370 O ASP A 23 -4.196 10.662 -3.871 1.00 0.00 O ATOM 371 CB ASP A 23 -5.683 8.109 -5.683 1.00 0.00 C ATOM 372 CG ASP A 23 -6.634 9.234 -5.986 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.205 10.270 -6.508 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.821 9.082 -5.711 1.00 0.00 O ATOM 0 H ASP A 23 -3.993 6.508 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.801 9.139 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.474 7.566 -6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.170 7.409 -5.004 1.00 0.00 H new ATOM 379 N GLU A 24 -5.175 8.915 -2.783 1.00 0.00 N ATOM 380 CA GLU A 24 -5.415 9.679 -1.534 1.00 0.00 C ATOM 381 C GLU A 24 -4.100 10.299 -1.030 1.00 0.00 C ATOM 382 O GLU A 24 -4.061 11.471 -0.587 1.00 0.00 O ATOM 383 CB GLU A 24 -6.004 8.777 -0.425 1.00 0.00 C ATOM 384 CG GLU A 24 -7.236 7.963 -0.831 1.00 0.00 C ATOM 385 CD GLU A 24 -8.528 8.441 -0.198 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.602 9.596 0.237 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.481 7.653 -0.147 1.00 0.00 O ATOM 0 H GLU A 24 -5.493 7.946 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.134 10.466 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.228 8.089 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.267 9.402 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.340 7.998 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.075 6.920 -0.560 1.00 0.00 H new ATOM 394 N GLY A 25 -3.033 9.500 -1.076 1.00 0.00 N ATOM 395 CA GLY A 25 -1.746 9.941 -0.624 1.00 0.00 C ATOM 396 C GLY A 25 -1.199 11.063 -1.462 1.00 0.00 C ATOM 397 O GLY A 25 -0.968 12.141 -0.934 1.00 0.00 O ATOM 0 H GLY A 25 -3.052 8.542 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.820 10.268 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.050 9.103 -0.644 1.00 0.00 H new ATOM 401 N ILE A 26 -1.026 10.841 -2.782 1.00 0.00 N ATOM 402 CA ILE A 26 -0.522 11.901 -3.678 1.00 0.00 C ATOM 403 C ILE A 26 -1.336 13.191 -3.486 1.00 0.00 C ATOM 404 O ILE A 26 -0.761 14.269 -3.281 1.00 0.00 O ATOM 405 CB ILE A 26 -0.541 11.476 -5.195 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.371 10.263 -5.446 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.108 12.632 -6.100 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.850 10.563 -5.299 1.00 0.00 C ATOM 0 H ILE A 26 -1.224 9.953 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 26 0.519 12.076 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.568 11.202 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.101 9.468 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.186 9.884 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.131 12.308 -7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.788 13.473 -5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.904 12.939 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.426 9.658 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.137 11.335 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.051 10.913 -4.286 1.00 0.00 H new ATOM 420 N ALA A 27 -2.673 13.061 -3.480 1.00 0.00 N ATOM 421 CA ALA A 27 -3.566 14.212 -3.256 1.00 0.00 C ATOM 422 C ALA A 27 -3.179 14.960 -1.987 1.00 0.00 C ATOM 423 O ALA A 27 -3.137 16.191 -1.975 1.00 0.00 O ATOM 424 CB ALA A 27 -5.026 13.770 -3.166 1.00 0.00 C ATOM 0 H ALA A 27 -3.158 12.176 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.456 14.880 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.660 14.641 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.316 13.281 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.144 13.072 -2.337 1.00 0.00 H new ATOM 430 N THR A 28 -2.924 14.220 -0.922 1.00 0.00 N ATOM 431 CA THR A 28 -2.575 14.816 0.351 1.00 0.00 C ATOM 432 C THR A 28 -1.092 15.228 0.426 1.00 0.00 C ATOM 433 O THR A 28 -0.781 16.289 0.968 1.00 0.00 O ATOM 434 CB THR A 28 -2.990 13.889 1.509 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.312 13.407 1.299 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.955 14.566 2.865 1.00 0.00 C ATOM 0 H THR A 28 -2.953 13.200 -0.916 1.00 0.00 H new ATOM 0 HA THR A 28 -3.138 15.744 0.449 1.00 0.00 H new ATOM 0 HB THR A 28 -2.262 13.078 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.281 12.598 0.746 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.259 13.856 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.943 14.914 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.638 15.415 2.865 1.00 0.00 H new ATOM 444 N LEU A 29 -0.184 14.407 -0.108 1.00 0.00 N ATOM 445 CA LEU A 29 1.243 14.732 -0.061 1.00 0.00 C ATOM 446 C LEU A 29 1.594 15.899 -1.001 1.00 0.00 C ATOM 447 O LEU A 29 2.575 16.617 -0.755 1.00 0.00 O ATOM 448 CB LEU A 29 2.092 13.515 -0.445 1.00 0.00 C ATOM 449 CG LEU A 29 1.859 12.224 0.354 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.057 11.005 -0.521 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.783 12.157 1.549 1.00 0.00 C ATOM 0 H LEU A 29 -0.407 13.526 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 29 1.464 15.028 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.916 13.298 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.142 13.790 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 29 0.829 12.235 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.887 10.103 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.352 11.035 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.075 10.998 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.600 11.234 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.819 12.177 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.598 13.011 2.201 1.00 0.00 H new ATOM 576 N ASN A 38 0.607 18.821 6.945 1.00 0.00 N ATOM 577 CA ASN A 38 -0.518 17.900 7.058 1.00 0.00 C ATOM 578 C ASN A 38 -0.648 17.399 8.469 1.00 0.00 C ATOM 579 O ASN A 38 0.272 16.778 9.010 1.00 0.00 O ATOM 580 CB ASN A 38 -0.421 16.717 6.086 1.00 0.00 C ATOM 581 CG ASN A 38 -1.714 15.912 6.056 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.736 14.741 6.418 1.00 0.00 O ATOM 583 ND2 ASN A 38 -2.804 16.533 5.626 1.00 0.00 N ATOM 0 HA ASN A 38 -1.410 18.464 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.197 17.085 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.405 16.070 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.694 16.035 5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.753 17.508 5.332 1.00 0.00 H new ATOM 590 N ASP A 39 -1.782 17.702 9.082 1.00 0.00 N ATOM 591 CA ASP A 39 -2.039 17.300 10.453 1.00 0.00 C ATOM 592 C ASP A 39 -2.416 15.829 10.506 1.00 0.00 C ATOM 593 O ASP A 39 -3.335 15.410 9.797 1.00 0.00 O ATOM 594 CB ASP A 39 -3.168 18.143 11.070 1.00 0.00 C ATOM 595 CG ASP A 39 -3.204 18.034 12.554 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.541 18.822 13.229 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.899 17.166 13.060 1.00 0.00 O ATOM 0 H ASP A 39 -2.541 18.227 8.648 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.128 17.462 11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.036 19.187 10.787 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.125 17.821 10.660 1.00 0.00 H new ATOM 602 N PRO A 40 -1.747 15.023 11.362 1.00 0.00 N ATOM 603 CA PRO A 40 -2.060 13.583 11.521 1.00 0.00 C ATOM 604 C PRO A 40 -3.554 13.321 11.795 1.00 0.00 C ATOM 605 O PRO A 40 -4.070 12.251 11.473 1.00 0.00 O ATOM 606 CB PRO A 40 -1.213 13.169 12.731 1.00 0.00 C ATOM 607 CG PRO A 40 -0.079 14.140 12.740 1.00 0.00 C ATOM 608 CD PRO A 40 -0.647 15.443 12.255 1.00 0.00 C ATOM 0 HA PRO A 40 -1.842 13.021 10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.788 13.221 13.655 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.857 12.143 12.635 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.337 14.245 13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.730 13.802 12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.010 16.055 13.080 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.099 16.034 11.724 1.00 0.00 H new ATOM 616 N THR A 41 -4.237 14.306 12.383 1.00 0.00 N ATOM 617 CA THR A 41 -5.654 14.192 12.685 1.00 0.00 C ATOM 618 C THR A 41 -6.542 14.489 11.453 1.00 0.00 C ATOM 619 O THR A 41 -7.747 14.200 11.473 1.00 0.00 O ATOM 620 CB THR A 41 -6.038 15.120 13.842 1.00 0.00 C ATOM 621 OG1 THR A 41 -4.911 15.469 14.653 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.063 14.527 14.722 1.00 0.00 C ATOM 0 H THR A 41 -3.822 15.196 12.659 1.00 0.00 H new ATOM 0 HA THR A 41 -5.832 13.157 12.979 1.00 0.00 H new ATOM 0 HB THR A 41 -6.440 16.014 13.365 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.508 16.296 14.315 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.300 15.224 15.526 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.963 14.320 14.144 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.684 13.598 15.148 1.00 0.00 H new ATOM 630 N SER A 42 -5.970 15.114 10.422 1.00 0.00 N ATOM 631 CA SER A 42 -6.705 15.470 9.227 1.00 0.00 C ATOM 632 C SER A 42 -7.377 14.238 8.604 1.00 0.00 C ATOM 633 O SER A 42 -6.835 13.121 8.674 1.00 0.00 O ATOM 634 CB SER A 42 -5.784 16.180 8.227 1.00 0.00 C ATOM 635 OG SER A 42 -4.759 15.319 7.732 1.00 0.00 O ATOM 0 H SER A 42 -4.986 15.383 10.401 1.00 0.00 H new ATOM 0 HA SER A 42 -7.500 16.164 9.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.377 16.554 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.328 17.046 8.707 1.00 0.00 H new ATOM 0 HG SER A 42 -3.958 15.410 8.289 1.00 0.00 H new ATOM 641 N ALA A 43 -8.584 14.429 8.054 1.00 0.00 N ATOM 642 CA ALA A 43 -9.373 13.325 7.490 1.00 0.00 C ATOM 643 C ALA A 43 -8.556 12.414 6.601 1.00 0.00 C ATOM 644 O ALA A 43 -8.553 11.201 6.792 1.00 0.00 O ATOM 645 CB ALA A 43 -10.602 13.834 6.750 1.00 0.00 C ATOM 0 H ALA A 43 -9.036 15.341 7.988 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.705 12.729 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.160 12.989 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.236 14.392 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.291 14.486 5.934 1.00 0.00 H new ATOM 651 N VAL A 44 -7.856 12.999 5.644 1.00 0.00 N ATOM 652 CA VAL A 44 -7.046 12.266 4.731 1.00 0.00 C ATOM 653 C VAL A 44 -6.002 11.453 5.475 1.00 0.00 C ATOM 654 O VAL A 44 -5.933 10.232 5.313 1.00 0.00 O ATOM 655 CB VAL A 44 -6.366 13.154 3.669 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.992 12.943 2.301 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.380 14.615 4.033 1.00 0.00 C ATOM 0 H VAL A 44 -7.845 14.007 5.491 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.721 11.597 4.197 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.322 12.844 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.494 13.581 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.881 11.899 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.051 13.197 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.888 15.190 3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.411 14.954 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.852 14.760 4.975 1.00 0.00 H new ATOM 667 N ASN A 45 -5.236 12.127 6.351 1.00 0.00 N ATOM 668 CA ASN A 45 -4.232 11.451 7.176 1.00 0.00 C ATOM 669 C ASN A 45 -4.874 10.287 7.943 1.00 0.00 C ATOM 670 O ASN A 45 -4.358 9.163 7.931 1.00 0.00 O ATOM 671 CB ASN A 45 -3.558 12.426 8.153 1.00 0.00 C ATOM 672 CG ASN A 45 -2.135 12.016 8.513 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.905 10.921 9.015 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.173 12.880 8.245 1.00 0.00 N ATOM 0 H ASN A 45 -5.296 13.134 6.502 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.461 11.059 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.543 13.422 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.154 12.490 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.203 12.645 8.456 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.400 13.782 7.827 1.00 0.00 H new ATOM 681 N LEU A 46 -6.048 10.545 8.550 1.00 0.00 N ATOM 682 CA LEU A 46 -6.810 9.505 9.268 1.00 0.00 C ATOM 683 C LEU A 46 -7.181 8.366 8.326 1.00 0.00 C ATOM 684 O LEU A 46 -6.876 7.195 8.601 1.00 0.00 O ATOM 685 CB LEU A 46 -8.086 10.081 9.903 1.00 0.00 C ATOM 686 CG LEU A 46 -7.882 11.149 10.981 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.210 11.558 11.588 1.00 0.00 C ATOM 688 CD2 LEU A 46 -6.925 10.660 12.062 1.00 0.00 C ATOM 0 H LEU A 46 -6.489 11.464 8.558 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.169 9.123 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.701 10.507 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.653 9.258 10.339 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.437 12.024 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.042 12.318 12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.857 11.963 10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.687 10.688 12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.798 11.438 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.333 9.764 12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.959 10.427 11.614 1.00 0.00 H new ATOM 700 N GLN A 47 -7.824 8.708 7.200 1.00 0.00 N ATOM 701 CA GLN A 47 -8.200 7.748 6.199 1.00 0.00 C ATOM 702 C GLN A 47 -7.014 6.934 5.732 1.00 0.00 C ATOM 703 O GLN A 47 -7.051 5.712 5.771 1.00 0.00 O ATOM 704 CB GLN A 47 -8.775 8.489 5.071 1.00 0.00 C ATOM 705 CG GLN A 47 -10.097 9.125 5.444 1.00 0.00 C ATOM 706 CD GLN A 47 -11.009 9.018 4.341 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.145 8.591 4.480 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.535 9.375 3.217 1.00 0.00 N ATOM 0 H GLN A 47 -8.091 9.666 6.974 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.921 7.047 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.077 9.261 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.919 7.815 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.514 8.633 6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.948 10.173 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.579 9.725 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.111 9.311 2.377 1.00 0.00 H new ATOM 717 N LEU A 48 -5.931 7.616 5.349 1.00 0.00 N ATOM 718 CA LEU A 48 -4.700 6.932 4.931 1.00 0.00 C ATOM 719 C LEU A 48 -4.168 6.081 6.073 1.00 0.00 C ATOM 720 O LEU A 48 -3.778 4.940 5.861 1.00 0.00 O ATOM 721 CB LEU A 48 -3.651 7.937 4.467 1.00 0.00 C ATOM 722 CG LEU A 48 -4.082 8.817 3.288 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.404 10.167 3.339 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.817 8.122 1.960 1.00 0.00 C ATOM 0 H LEU A 48 -5.879 8.634 5.319 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.930 6.281 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.389 8.581 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.748 7.395 4.187 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.156 8.980 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.729 10.769 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.671 10.673 4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.323 10.033 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.132 8.769 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.752 7.911 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.377 7.188 1.920 1.00 0.00 H new ATOM 736 N ASN A 49 -4.236 6.617 7.300 1.00 0.00 N ATOM 737 CA ASN A 49 -3.855 5.858 8.507 1.00 0.00 C ATOM 738 C ASN A 49 -4.644 4.558 8.547 1.00 0.00 C ATOM 739 O ASN A 49 -4.076 3.483 8.792 1.00 0.00 O ATOM 740 CB ASN A 49 -4.130 6.661 9.795 1.00 0.00 C ATOM 741 CG ASN A 49 -2.885 7.261 10.411 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.290 6.679 11.324 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.486 8.422 9.937 1.00 0.00 N ATOM 0 H ASN A 49 -4.550 7.570 7.486 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.785 5.656 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.836 7.461 9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.608 6.008 10.525 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.658 8.874 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.005 8.870 9.182 1.00 0.00 H new ATOM 750 N ASP A 50 -5.956 4.652 8.259 1.00 0.00 N ATOM 751 CA ASP A 50 -6.820 3.468 8.185 1.00 0.00 C ATOM 752 C ASP A 50 -6.351 2.601 7.049 1.00 0.00 C ATOM 753 O ASP A 50 -5.979 1.463 7.262 1.00 0.00 O ATOM 754 CB ASP A 50 -8.284 3.859 7.944 1.00 0.00 C ATOM 755 CG ASP A 50 -9.164 2.668 7.696 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.530 1.994 8.651 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.519 2.432 6.541 1.00 0.00 O ATOM 0 H ASP A 50 -6.435 5.533 8.075 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.761 2.934 9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.657 4.408 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.341 4.533 7.089 1.00 0.00 H new ATOM 762 N LEU A 51 -6.317 3.189 5.845 1.00 0.00 N ATOM 763 CA LEU A 51 -5.826 2.529 4.637 1.00 0.00 C ATOM 764 C LEU A 51 -4.592 1.702 4.945 1.00 0.00 C ATOM 765 O LEU A 51 -4.577 0.487 4.732 1.00 0.00 O ATOM 766 CB LEU A 51 -5.469 3.583 3.587 1.00 0.00 C ATOM 767 CG LEU A 51 -6.610 4.027 2.694 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.816 5.532 2.722 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.370 3.577 1.302 1.00 0.00 C ATOM 0 H LEU A 51 -6.634 4.145 5.686 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.610 1.873 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.069 4.459 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.671 3.188 2.958 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.519 3.567 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.645 5.798 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.043 5.849 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.909 6.030 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.195 3.901 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.439 4.009 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.299 2.490 1.278 1.00 0.00 H new ATOM 781 N ILE A 52 -3.571 2.375 5.475 1.00 0.00 N ATOM 782 CA ILE A 52 -2.318 1.728 5.846 1.00 0.00 C ATOM 783 C ILE A 52 -2.579 0.473 6.693 1.00 0.00 C ATOM 784 O ILE A 52 -2.219 -0.626 6.289 1.00 0.00 O ATOM 785 CB ILE A 52 -1.347 2.703 6.596 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.971 3.881 5.700 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.078 1.986 7.060 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.461 5.073 6.466 1.00 0.00 C ATOM 0 H ILE A 52 -3.591 3.378 5.658 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.828 1.430 4.919 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.874 3.072 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.208 3.560 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.843 4.178 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.571 2.693 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.345 1.177 7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.445 1.577 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.212 5.874 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.231 5.418 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.430 4.791 7.028 1.00 0.00 H new ATOM 800 N GLU A 53 -3.233 0.637 7.843 1.00 0.00 N ATOM 801 CA GLU A 53 -3.549 -0.506 8.714 1.00 0.00 C ATOM 802 C GLU A 53 -4.468 -1.501 8.019 1.00 0.00 C ATOM 803 O GLU A 53 -4.207 -2.710 8.047 1.00 0.00 O ATOM 804 CB GLU A 53 -4.151 -0.037 10.024 1.00 0.00 C ATOM 805 CG GLU A 53 -3.159 0.701 10.876 1.00 0.00 C ATOM 806 CD GLU A 53 -3.457 0.606 12.327 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.498 1.107 12.757 1.00 0.00 O ATOM 808 OE2 GLU A 53 -2.658 0.036 13.041 1.00 0.00 O ATOM 0 H GLU A 53 -3.554 1.539 8.195 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.614 -1.021 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.003 0.611 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.531 -0.897 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.161 0.304 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.145 1.750 10.581 1.00 0.00 H new ATOM 815 N HIS A 54 -5.504 -0.992 7.366 1.00 0.00 N ATOM 816 CA HIS A 54 -6.449 -1.813 6.588 1.00 0.00 C ATOM 817 C HIS A 54 -5.658 -2.759 5.683 1.00 0.00 C ATOM 818 O HIS A 54 -5.848 -3.999 5.728 1.00 0.00 O ATOM 819 CB HIS A 54 -7.367 -0.892 5.742 1.00 0.00 C ATOM 820 CG HIS A 54 -8.389 -1.595 4.887 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.093 -0.954 3.887 1.00 0.00 N ATOM 822 CD2 HIS A 54 -8.832 -2.878 4.887 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.921 -1.808 3.311 1.00 0.00 C ATOM 824 NE2 HIS A 54 -9.786 -2.985 3.898 1.00 0.00 N ATOM 0 H HIS A 54 -5.722 0.004 7.355 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.074 -2.400 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.889 -0.213 6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.739 -0.279 5.095 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.990 0.028 3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.498 -3.670 5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.595 -1.582 2.498 1.00 0.00 H new ATOM 833 N ILE A 55 -4.710 -2.180 4.937 1.00 0.00 N ATOM 834 CA ILE A 55 -3.807 -2.931 4.082 1.00 0.00 C ATOM 835 C ILE A 55 -2.827 -3.756 4.937 1.00 0.00 C ATOM 836 O ILE A 55 -2.613 -4.922 4.662 1.00 0.00 O ATOM 837 CB ILE A 55 -3.003 -1.982 3.131 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.946 -1.114 2.296 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.070 -2.760 2.209 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.271 0.102 1.705 1.00 0.00 C ATOM 0 H ILE A 55 -4.554 -1.172 4.915 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.410 -3.602 3.470 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.396 -1.339 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.365 -1.716 1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.780 -0.791 2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.531 -2.064 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.357 -3.328 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.654 -3.445 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.995 0.674 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.876 0.725 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.455 -0.215 1.056 1.00 0.00 H new ATOM 852 N ALA A 56 -2.262 -3.142 5.986 1.00 0.00 N ATOM 853 CA ALA A 56 -1.306 -3.815 6.888 1.00 0.00 C ATOM 854 C ALA A 56 -1.901 -5.095 7.444 1.00 0.00 C ATOM 855 O ALA A 56 -1.373 -6.181 7.236 1.00 0.00 O ATOM 856 CB ALA A 56 -0.886 -2.880 8.036 1.00 0.00 C ATOM 0 H ALA A 56 -2.451 -2.171 6.235 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.419 -4.069 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.182 -3.397 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.412 -1.989 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.766 -2.591 8.610 1.00 0.00 H new ATOM 862 N SER A 57 -3.033 -4.960 8.102 1.00 0.00 N ATOM 863 CA SER A 57 -3.763 -6.092 8.664 1.00 0.00 C ATOM 864 C SER A 57 -4.173 -7.081 7.552 1.00 0.00 C ATOM 865 O SER A 57 -4.107 -8.310 7.746 1.00 0.00 O ATOM 866 CB SER A 57 -4.978 -5.590 9.448 1.00 0.00 C ATOM 867 OG SER A 57 -4.631 -4.451 10.262 1.00 0.00 O ATOM 0 H SER A 57 -3.481 -4.059 8.267 1.00 0.00 H new ATOM 0 HA SER A 57 -3.113 -6.630 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.775 -5.318 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.364 -6.390 10.080 1.00 0.00 H new ATOM 0 HG SER A 57 -4.587 -3.649 9.701 1.00 0.00 H new ATOM 873 N PHE A 58 -4.488 -6.547 6.354 1.00 0.00 N ATOM 874 CA PHE A 58 -4.763 -7.396 5.195 1.00 0.00 C ATOM 875 C PHE A 58 -3.504 -8.200 4.875 1.00 0.00 C ATOM 876 O PHE A 58 -3.530 -9.425 4.908 1.00 0.00 O ATOM 877 CB PHE A 58 -5.193 -6.552 3.970 1.00 0.00 C ATOM 878 CG PHE A 58 -5.705 -7.358 2.797 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.552 -8.440 2.988 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.339 -7.027 1.501 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.018 -9.170 1.919 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.807 -7.758 0.427 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.647 -8.830 0.639 1.00 0.00 C ATOM 0 H PHE A 58 -4.556 -5.545 6.173 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.588 -8.069 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.970 -5.854 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.343 -5.955 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.850 -8.713 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.681 -6.188 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.676 -10.011 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.515 -7.490 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.014 -9.403 -0.200 1.00 0.00 H new ATOM 893 N VAL A 59 -2.378 -7.487 4.680 1.00 0.00 N ATOM 894 CA VAL A 59 -1.068 -8.105 4.453 1.00 0.00 C ATOM 895 C VAL A 59 -0.761 -9.110 5.550 1.00 0.00 C ATOM 896 O VAL A 59 -0.463 -10.251 5.256 1.00 0.00 O ATOM 897 CB VAL A 59 0.073 -7.042 4.379 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.436 -7.698 4.153 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.216 -6.038 3.277 1.00 0.00 C ATOM 0 H VAL A 59 -2.357 -6.467 4.676 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.114 -8.616 3.491 1.00 0.00 H new ATOM 0 HB VAL A 59 0.108 -6.522 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.207 -6.929 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.653 -8.380 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.421 -8.254 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.587 -5.302 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.283 -6.557 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.160 -5.534 3.483 1.00 0.00 H new ATOM 909 N MET A 60 -0.871 -8.686 6.822 1.00 0.00 N ATOM 910 CA MET A 60 -0.640 -9.582 7.966 1.00 0.00 C ATOM 911 C MET A 60 -1.310 -10.940 7.714 1.00 0.00 C ATOM 912 O MET A 60 -0.645 -11.973 7.716 1.00 0.00 O ATOM 913 CB MET A 60 -1.168 -8.962 9.273 1.00 0.00 C ATOM 914 CG MET A 60 -0.096 -8.515 10.222 1.00 0.00 C ATOM 915 SD MET A 60 -0.639 -7.214 11.346 1.00 0.00 S ATOM 916 CE MET A 60 -0.588 -5.781 10.275 1.00 0.00 C ATOM 0 H MET A 60 -1.118 -7.731 7.082 1.00 0.00 H new ATOM 0 HA MET A 60 0.435 -9.728 8.073 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.798 -8.108 9.027 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.802 -9.691 9.777 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.244 -9.371 10.805 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.761 -8.158 9.650 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.107 -5.047 10.683 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.256 -6.081 9.281 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.583 -5.341 10.208 1.00 0.00 H new ATOM 926 N SER A 61 -2.606 -10.908 7.435 1.00 0.00 N ATOM 927 CA SER A 61 -3.375 -12.093 7.105 1.00 0.00 C ATOM 928 C SER A 61 -2.898 -12.694 5.764 1.00 0.00 C ATOM 929 O SER A 61 -2.680 -13.908 5.662 1.00 0.00 O ATOM 930 CB SER A 61 -4.852 -11.711 7.046 1.00 0.00 C ATOM 931 OG SER A 61 -5.179 -10.741 8.075 1.00 0.00 O ATOM 0 H SER A 61 -3.155 -10.049 7.432 1.00 0.00 H new ATOM 0 HA SER A 61 -3.230 -12.856 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.086 -11.298 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.467 -12.602 7.172 1.00 0.00 H new ATOM 0 HG SER A 61 -4.967 -9.840 7.754 1.00 0.00 H new ATOM 937 N PHE A 62 -2.681 -11.827 4.770 1.00 0.00 N ATOM 938 CA PHE A 62 -2.151 -12.213 3.450 1.00 0.00 C ATOM 939 C PHE A 62 -0.933 -13.129 3.618 1.00 0.00 C ATOM 940 O PHE A 62 -0.926 -14.262 3.139 1.00 0.00 O ATOM 941 CB PHE A 62 -1.736 -10.947 2.679 1.00 0.00 C ATOM 942 CG PHE A 62 -2.163 -10.895 1.255 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.480 -10.636 0.915 1.00 0.00 C ATOM 944 CD2 PHE A 62 -1.242 -11.078 0.256 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.863 -10.566 -0.409 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.611 -11.007 -1.070 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.926 -10.750 -1.407 1.00 0.00 C ATOM 0 H PHE A 62 -2.869 -10.828 4.856 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.924 -12.747 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.145 -10.078 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.650 -10.859 2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.214 -10.487 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.213 -11.281 0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.893 -10.368 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.873 -11.152 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.220 -10.693 -2.445 1.00 0.00 H new ATOM 957 N LYS A 63 0.069 -12.629 4.340 1.00 0.00 N ATOM 958 CA LYS A 63 1.311 -13.381 4.635 1.00 0.00 C ATOM 959 C LYS A 63 1.019 -14.774 5.189 1.00 0.00 C ATOM 960 O LYS A 63 1.734 -15.744 4.875 1.00 0.00 O ATOM 961 CB LYS A 63 2.225 -12.631 5.633 1.00 0.00 C ATOM 962 CG LYS A 63 2.202 -11.105 5.524 1.00 0.00 C ATOM 963 CD LYS A 63 3.550 -10.491 5.838 1.00 0.00 C ATOM 964 CE LYS A 63 3.820 -10.482 7.336 1.00 0.00 C ATOM 965 NZ LYS A 63 5.096 -9.819 7.673 1.00 0.00 N ATOM 0 H LYS A 63 0.053 -11.692 4.742 1.00 0.00 H new ATOM 0 HA LYS A 63 1.829 -13.476 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.935 -12.910 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.250 -12.973 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.899 -10.818 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.454 -10.704 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.334 -11.051 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.586 -9.471 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.003 -9.973 7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.837 -11.507 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.092 -9.549 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.885 -10.472 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.211 -8.968 7.086 1.00 0.00 H new ATOM 979 N ILE A 64 -0.022 -14.875 6.008 1.00 0.00 N ATOM 980 CA ILE A 64 -0.420 -16.137 6.598 1.00 0.00 C ATOM 981 C ILE A 64 -0.955 -17.048 5.509 1.00 0.00 C ATOM 982 O ILE A 64 -0.479 -18.184 5.347 1.00 0.00 O ATOM 983 CB ILE A 64 -1.512 -15.953 7.703 1.00 0.00 C ATOM 984 CG1 ILE A 64 -1.150 -14.804 8.659 1.00 0.00 C ATOM 985 CG2 ILE A 64 -1.725 -17.242 8.480 1.00 0.00 C ATOM 986 CD1 ILE A 64 -1.895 -14.834 9.979 1.00 0.00 C ATOM 0 H ILE A 64 -0.608 -14.085 6.278 1.00 0.00 H new ATOM 0 HA ILE A 64 0.458 -16.576 7.072 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.445 -15.696 7.201 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.079 -14.837 8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.353 -13.855 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.489 -17.086 9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.048 -18.029 7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.791 -17.537 8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.581 -13.990 10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.967 -14.769 9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.673 -15.765 10.501 1.00 0.00 H new ATOM 998 N LYS A 65 -1.928 -16.543 4.744 1.00 0.00 N ATOM 999 CA LYS A 65 -2.516 -17.331 3.666 1.00 0.00 C ATOM 1000 C LYS A 65 -1.511 -17.636 2.546 1.00 0.00 C ATOM 1001 O LYS A 65 -1.509 -18.751 2.009 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.842 -16.739 3.108 1.00 0.00 C ATOM 1003 CG LYS A 65 -3.879 -15.215 2.934 1.00 0.00 C ATOM 1004 CD LYS A 65 -3.620 -14.801 1.488 1.00 0.00 C ATOM 1005 CE LYS A 65 -4.618 -13.743 1.017 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.021 -14.254 0.993 1.00 0.00 N ATOM 0 H LYS A 65 -2.318 -15.606 4.851 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.786 -18.282 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.044 -17.200 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.654 -17.028 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.851 -14.837 3.251 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.132 -14.757 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.606 -14.411 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.685 -15.676 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.561 -12.876 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.340 -13.405 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.481 -13.965 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.014 -15.292 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.547 -13.861 1.799 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.649 -16.668 2.205 1.00 0.00 N ATOM 1021 CA TYR A 66 0.366 -16.865 1.162 1.00 0.00 C ATOM 1022 C TYR A 66 1.774 -16.886 1.743 1.00 0.00 C ATOM 1023 O TYR A 66 2.393 -15.837 1.900 1.00 0.00 O ATOM 1024 CB TYR A 66 0.325 -15.753 0.104 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.973 -15.567 -0.620 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.744 -16.644 -1.022 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -1.421 -14.301 -0.914 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -2.924 -16.454 -1.692 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -2.597 -14.102 -1.581 1.00 0.00 C ATOM 1030 CZ TYR A 66 -3.346 -15.179 -1.968 1.00 0.00 C ATOM 1031 OH TYR A 66 -4.516 -14.979 -2.623 1.00 0.00 O ATOM 0 H TYR A 66 -0.635 -15.743 2.635 1.00 0.00 H new ATOM 0 HA TYR A 66 0.131 -17.826 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.583 -14.811 0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.101 -15.955 -0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.411 -17.648 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.832 -13.447 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.517 -17.302 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.933 -13.100 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.241 -14.873 -1.972 1.00 0.00 H new ATOM 1041 N PRO A 67 2.369 -18.071 1.969 1.00 0.00 N ATOM 1042 CA PRO A 67 3.769 -18.144 2.406 1.00 0.00 C ATOM 1043 C PRO A 67 4.732 -17.675 1.281 1.00 0.00 C ATOM 1044 O PRO A 67 5.845 -17.207 1.554 1.00 0.00 O ATOM 1045 CB PRO A 67 3.974 -19.638 2.706 1.00 0.00 C ATOM 1046 CG PRO A 67 2.965 -20.346 1.854 1.00 0.00 C ATOM 1047 CD PRO A 67 1.783 -19.415 1.729 1.00 0.00 C ATOM 0 HA PRO A 67 3.976 -17.502 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.988 -19.954 2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.819 -19.853 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.380 -20.580 0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.668 -21.291 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.323 -19.481 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.008 -19.651 2.459 1.00 0.00 H new ATOM 1055 N ASP A 68 4.297 -17.859 0.017 1.00 0.00 N ATOM 1056 CA ASP A 68 5.107 -17.548 -1.181 1.00 0.00 C ATOM 1057 C ASP A 68 5.026 -16.089 -1.641 1.00 0.00 C ATOM 1058 O ASP A 68 5.772 -15.684 -2.535 1.00 0.00 O ATOM 1059 CB ASP A 68 4.697 -18.466 -2.339 1.00 0.00 C ATOM 1060 CG ASP A 68 5.847 -18.907 -3.177 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.792 -19.485 -2.636 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.798 -18.717 -4.384 1.00 0.00 O ATOM 0 H ASP A 68 3.372 -18.228 -0.203 1.00 0.00 H new ATOM 0 HA ASP A 68 6.143 -17.719 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.192 -19.344 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.976 -17.945 -2.969 1.00 0.00 H new ATOM 1067 N ASP A 69 4.122 -15.317 -1.072 1.00 0.00 N ATOM 1068 CA ASP A 69 3.941 -13.924 -1.471 1.00 0.00 C ATOM 1069 C ASP A 69 4.770 -12.939 -0.640 1.00 0.00 C ATOM 1070 O ASP A 69 4.697 -11.726 -0.853 1.00 0.00 O ATOM 1071 CB ASP A 69 2.452 -13.575 -1.486 1.00 0.00 C ATOM 1072 CG ASP A 69 2.027 -12.410 -0.618 1.00 0.00 C ATOM 1073 OD1 ASP A 69 2.133 -12.508 0.618 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.577 -11.415 -1.169 1.00 0.00 O ATOM 0 H ASP A 69 3.496 -15.627 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 69 4.329 -13.820 -2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.162 -13.359 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.891 -14.456 -1.175 1.00 0.00 H new ATOM 1079 N GLY A 70 5.577 -13.465 0.277 1.00 0.00 N ATOM 1080 CA GLY A 70 6.418 -12.653 1.132 1.00 0.00 C ATOM 1081 C GLY A 70 7.077 -11.457 0.440 1.00 0.00 C ATOM 1082 O GLY A 70 7.204 -10.398 1.050 1.00 0.00 O ATOM 0 H GLY A 70 5.662 -14.468 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.818 -12.287 1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.199 -13.285 1.555 1.00 0.00 H new ATOM 1086 N ASP A 71 7.419 -11.592 -0.862 1.00 0.00 N ATOM 1087 CA ASP A 71 8.011 -10.469 -1.623 1.00 0.00 C ATOM 1088 C ASP A 71 7.028 -9.305 -1.696 1.00 0.00 C ATOM 1089 O ASP A 71 7.389 -8.152 -1.431 1.00 0.00 O ATOM 1090 CB ASP A 71 8.412 -10.898 -3.045 1.00 0.00 C ATOM 1091 CG ASP A 71 9.889 -11.107 -3.215 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.662 -10.170 -2.986 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.293 -12.225 -3.561 1.00 0.00 O ATOM 0 H ASP A 71 7.298 -12.451 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 71 8.912 -10.154 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.891 -11.822 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.077 -10.140 -3.753 1.00 0.00 H new ATOM 1098 N LEU A 72 5.779 -9.619 -2.018 1.00 0.00 N ATOM 1099 CA LEU A 72 4.712 -8.630 -2.063 1.00 0.00 C ATOM 1100 C LEU A 72 4.386 -8.159 -0.672 1.00 0.00 C ATOM 1101 O LEU A 72 4.388 -6.961 -0.419 1.00 0.00 O ATOM 1102 CB LEU A 72 3.447 -9.200 -2.706 1.00 0.00 C ATOM 1103 CG LEU A 72 2.392 -8.159 -3.131 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.712 -7.562 -4.487 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.001 -8.771 -3.125 1.00 0.00 C ATOM 0 H LEU A 72 5.479 -10.565 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 72 5.064 -7.794 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.735 -9.778 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.985 -9.894 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 72 2.416 -7.349 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.947 -6.833 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.684 -7.070 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.736 -8.353 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.272 -8.020 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.969 -9.609 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.763 -9.124 -2.122 1.00 0.00 H new ATOM 1117 N SER A 73 4.124 -9.106 0.230 1.00 0.00 N ATOM 1118 CA SER A 73 3.783 -8.778 1.612 1.00 0.00 C ATOM 1119 C SER A 73 4.789 -7.788 2.194 1.00 0.00 C ATOM 1120 O SER A 73 4.403 -6.729 2.718 1.00 0.00 O ATOM 1121 CB SER A 73 3.703 -10.050 2.468 1.00 0.00 C ATOM 1122 OG SER A 73 2.390 -10.608 2.432 1.00 0.00 O ATOM 0 H SER A 73 4.142 -10.105 0.027 1.00 0.00 H new ATOM 0 HA SER A 73 2.801 -8.305 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.424 -10.783 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.975 -9.818 3.498 1.00 0.00 H new ATOM 0 HG SER A 73 2.312 -11.211 1.663 1.00 0.00 H new ATOM 1128 N GLU A 74 6.073 -8.092 2.028 1.00 0.00 N ATOM 1129 CA GLU A 74 7.126 -7.220 2.478 1.00 0.00 C ATOM 1130 C GLU A 74 7.063 -5.854 1.776 1.00 0.00 C ATOM 1131 O GLU A 74 7.059 -4.812 2.435 1.00 0.00 O ATOM 1132 CB GLU A 74 8.478 -7.919 2.325 1.00 0.00 C ATOM 1133 CG GLU A 74 9.222 -7.514 1.126 1.00 0.00 C ATOM 1134 CD GLU A 74 10.581 -8.112 1.028 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.690 -9.331 0.948 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.549 -7.359 1.014 1.00 0.00 O ATOM 0 H GLU A 74 6.400 -8.947 1.579 1.00 0.00 H new ATOM 0 HA GLU A 74 6.990 -7.008 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.086 -7.711 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.318 -8.997 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.648 -7.794 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.312 -6.428 1.116 1.00 0.00 H new ATOM 1143 N LEU A 75 6.959 -5.882 0.452 1.00 0.00 N ATOM 1144 CA LEU A 75 6.849 -4.669 -0.378 1.00 0.00 C ATOM 1145 C LEU A 75 5.672 -3.825 0.085 1.00 0.00 C ATOM 1146 O LEU A 75 5.812 -2.617 0.314 1.00 0.00 O ATOM 1147 CB LEU A 75 6.661 -5.055 -1.862 1.00 0.00 C ATOM 1148 CG LEU A 75 7.024 -4.006 -2.941 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.382 -2.660 -2.347 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.152 -4.505 -3.801 1.00 0.00 C ATOM 0 H LEU A 75 6.948 -6.748 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 75 7.767 -4.090 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.256 -5.948 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.616 -5.332 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 75 6.134 -3.863 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.628 -1.963 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.535 -2.276 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.242 -2.771 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.394 -3.755 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.028 -4.692 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.852 -5.430 -4.293 1.00 0.00 H new ATOM 1162 N VAL A 76 4.517 -4.466 0.239 1.00 0.00 N ATOM 1163 CA VAL A 76 3.323 -3.781 0.720 1.00 0.00 C ATOM 1164 C VAL A 76 3.622 -3.143 2.074 1.00 0.00 C ATOM 1165 O VAL A 76 3.385 -1.950 2.254 1.00 0.00 O ATOM 1166 CB VAL A 76 2.075 -4.717 0.843 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.823 -3.902 1.147 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.857 -5.541 -0.427 1.00 0.00 C ATOM 0 H VAL A 76 4.383 -5.457 0.038 1.00 0.00 H new ATOM 0 HA VAL A 76 3.070 -3.023 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 76 2.268 -5.406 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.035 -4.570 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.957 -3.366 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.650 -3.187 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.981 -6.178 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.701 -4.871 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.733 -6.162 -0.613 1.00 0.00 H new ATOM 1178 N GLU A 77 4.219 -3.922 2.995 1.00 0.00 N ATOM 1179 CA GLU A 77 4.607 -3.381 4.304 1.00 0.00 C ATOM 1180 C GLU A 77 5.535 -2.172 4.130 1.00 0.00 C ATOM 1181 O GLU A 77 5.314 -1.130 4.745 1.00 0.00 O ATOM 1182 CB GLU A 77 5.256 -4.457 5.187 1.00 0.00 C ATOM 1183 CG GLU A 77 4.270 -5.508 5.693 1.00 0.00 C ATOM 1184 CD GLU A 77 4.718 -6.155 6.959 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.810 -5.467 7.982 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.975 -7.362 6.951 1.00 0.00 O ATOM 0 H GLU A 77 4.438 -4.909 2.859 1.00 0.00 H new ATOM 0 HA GLU A 77 3.703 -3.048 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.044 -4.953 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.732 -3.976 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.298 -5.041 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.135 -6.272 4.927 1.00 0.00 H new ATOM 1193 N GLU A 78 6.519 -2.294 3.227 1.00 0.00 N ATOM 1194 CA GLU A 78 7.424 -1.184 2.902 1.00 0.00 C ATOM 1195 C GLU A 78 6.611 0.039 2.448 1.00 0.00 C ATOM 1196 O GLU A 78 6.707 1.110 3.048 1.00 0.00 O ATOM 1197 CB GLU A 78 8.428 -1.608 1.807 1.00 0.00 C ATOM 1198 CG GLU A 78 9.386 -2.706 2.247 1.00 0.00 C ATOM 1199 CD GLU A 78 10.463 -2.966 1.258 1.00 0.00 C ATOM 1200 OE1 GLU A 78 11.304 -2.092 1.050 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.486 -4.045 0.677 1.00 0.00 O ATOM 0 H GLU A 78 6.708 -3.152 2.709 1.00 0.00 H new ATOM 0 HA GLU A 78 7.989 -0.916 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.875 -1.950 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.005 -0.736 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.835 -2.428 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.824 -3.625 2.415 1.00 0.00 H new ATOM 1208 N TYR A 79 5.758 -0.166 1.436 1.00 0.00 N ATOM 1209 CA TYR A 79 4.857 0.883 0.922 1.00 0.00 C ATOM 1210 C TYR A 79 3.998 1.462 2.063 1.00 0.00 C ATOM 1211 O TYR A 79 3.838 2.691 2.194 1.00 0.00 O ATOM 1212 CB TYR A 79 3.951 0.297 -0.181 1.00 0.00 C ATOM 1213 CG TYR A 79 3.085 1.306 -0.906 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.520 2.602 -1.116 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.834 0.950 -1.386 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.735 3.516 -1.781 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.046 1.857 -2.054 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.497 3.136 -2.249 1.00 0.00 C ATOM 1219 OH TYR A 79 0.711 4.032 -2.912 1.00 0.00 O ATOM 0 H TYR A 79 5.670 -1.058 0.950 1.00 0.00 H new ATOM 0 HA TYR A 79 5.458 1.689 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.579 -0.212 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.305 -0.459 0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.492 2.902 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.473 -0.056 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.088 4.525 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.075 1.562 -2.424 1.00 0.00 H new ATOM 0 HH TYR A 79 1.085 4.199 -3.802 1.00 0.00 H new ATOM 1229 N LEU A 80 3.457 0.576 2.893 1.00 0.00 N ATOM 1230 CA LEU A 80 2.658 0.974 4.053 1.00 0.00 C ATOM 1231 C LEU A 80 3.487 1.859 4.956 1.00 0.00 C ATOM 1232 O LEU A 80 3.098 2.996 5.261 1.00 0.00 O ATOM 1233 CB LEU A 80 2.182 -0.262 4.823 1.00 0.00 C ATOM 1234 CG LEU A 80 1.134 -1.097 4.107 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.814 -2.353 4.886 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.099 -0.266 3.882 1.00 0.00 C ATOM 0 H LEU A 80 3.558 -0.433 2.784 1.00 0.00 H new ATOM 0 HA LEU A 80 1.783 1.525 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.044 -0.893 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.776 0.059 5.782 1.00 0.00 H new ATOM 0 HG LEU A 80 1.529 -1.411 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.061 -2.931 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.718 -2.951 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.432 -2.083 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.852 -0.864 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.493 0.067 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.153 0.602 3.272 1.00 0.00 H new ATOM 1248 N ASP A 81 4.660 1.349 5.327 1.00 0.00 N ATOM 1249 CA ASP A 81 5.640 2.092 6.147 1.00 0.00 C ATOM 1250 C ASP A 81 5.874 3.457 5.572 1.00 0.00 C ATOM 1251 O ASP A 81 5.828 4.457 6.293 1.00 0.00 O ATOM 1252 CB ASP A 81 6.980 1.379 6.197 1.00 0.00 C ATOM 1253 CG ASP A 81 7.831 1.900 7.308 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.630 1.495 8.449 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.689 2.736 7.045 1.00 0.00 O ATOM 0 H ASP A 81 4.966 0.410 5.072 1.00 0.00 H new ATOM 0 HA ASP A 81 5.223 2.161 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.820 0.309 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.499 1.509 5.247 1.00 0.00 H new ATOM 1260 N ASP A 82 6.171 3.495 4.273 1.00 0.00 N ATOM 1261 CA ASP A 82 6.409 4.767 3.561 1.00 0.00 C ATOM 1262 C ASP A 82 5.255 5.706 3.837 1.00 0.00 C ATOM 1263 O ASP A 82 5.438 6.786 4.410 1.00 0.00 O ATOM 1264 CB ASP A 82 6.500 4.556 2.038 1.00 0.00 C ATOM 1265 CG ASP A 82 7.628 3.699 1.565 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.548 3.401 2.337 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.603 3.327 0.410 1.00 0.00 O ATOM 0 H ASP A 82 6.254 2.665 3.686 1.00 0.00 H new ATOM 0 HA ASP A 82 7.354 5.180 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.565 4.114 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.585 5.532 1.560 1.00 0.00 H new ATOM 1272 N THR A 83 4.044 5.245 3.488 1.00 0.00 N ATOM 1273 CA THR A 83 2.808 5.988 3.738 1.00 0.00 C ATOM 1274 C THR A 83 2.736 6.419 5.213 1.00 0.00 C ATOM 1275 O THR A 83 2.531 7.604 5.514 1.00 0.00 O ATOM 1276 CB THR A 83 1.563 5.133 3.375 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.787 4.321 2.212 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.327 5.965 3.100 1.00 0.00 C ATOM 0 H THR A 83 3.898 4.348 3.025 1.00 0.00 H new ATOM 0 HA THR A 83 2.812 6.876 3.105 1.00 0.00 H new ATOM 0 HB THR A 83 1.398 4.512 4.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.359 3.561 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.506 5.308 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.078 6.550 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.519 6.637 2.264 1.00 0.00 H new ATOM 1286 N TYR A 84 2.925 5.446 6.119 1.00 0.00 N ATOM 1287 CA TYR A 84 2.913 5.684 7.554 1.00 0.00 C ATOM 1288 C TYR A 84 3.904 6.785 7.909 1.00 0.00 C ATOM 1289 O TYR A 84 3.521 7.801 8.475 1.00 0.00 O ATOM 1290 CB TYR A 84 3.262 4.382 8.310 1.00 0.00 C ATOM 1291 CG TYR A 84 3.223 4.496 9.813 1.00 0.00 C ATOM 1292 CD1 TYR A 84 4.277 5.063 10.510 1.00 0.00 C ATOM 1293 CD2 TYR A 84 2.135 4.037 10.530 1.00 0.00 C ATOM 1294 CE1 TYR A 84 4.251 5.168 11.880 1.00 0.00 C ATOM 1295 CE2 TYR A 84 2.097 4.137 11.904 1.00 0.00 C ATOM 1296 CZ TYR A 84 3.158 4.705 12.575 1.00 0.00 C ATOM 1297 OH TYR A 84 3.125 4.810 13.944 1.00 0.00 O ATOM 0 H TYR A 84 3.090 4.472 5.866 1.00 0.00 H new ATOM 0 HA TYR A 84 1.915 6.004 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.568 3.601 8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.259 4.060 8.009 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.135 5.429 9.967 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.302 3.593 10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.083 5.611 12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.241 3.772 12.452 1.00 0.00 H new ATOM 0 HH TYR A 84 2.283 4.437 14.280 1.00 0.00 H new ATOM 1307 N THR A 85 5.166 6.580 7.546 1.00 0.00 N ATOM 1308 CA THR A 85 6.236 7.545 7.796 1.00 0.00 C ATOM 1309 C THR A 85 5.876 8.930 7.222 1.00 0.00 C ATOM 1310 O THR A 85 5.962 9.948 7.931 1.00 0.00 O ATOM 1311 CB THR A 85 7.570 7.031 7.202 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.829 5.671 7.592 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.777 7.862 7.595 1.00 0.00 C ATOM 0 H THR A 85 5.479 5.735 7.067 1.00 0.00 H new ATOM 0 HA THR A 85 6.356 7.654 8.874 1.00 0.00 H new ATOM 0 HB THR A 85 7.436 7.109 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.350 5.062 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.673 7.440 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.642 8.886 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.884 7.858 8.680 1.00 0.00 H new ATOM 1321 N LEU A 86 5.466 8.957 5.949 1.00 0.00 N ATOM 1322 CA LEU A 86 5.089 10.196 5.267 1.00 0.00 C ATOM 1323 C LEU A 86 4.055 10.964 6.062 1.00 0.00 C ATOM 1324 O LEU A 86 4.337 12.032 6.582 1.00 0.00 O ATOM 1325 CB LEU A 86 4.504 9.881 3.889 1.00 0.00 C ATOM 1326 CG LEU A 86 5.361 10.191 2.642 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.603 11.008 2.971 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.728 8.920 1.908 1.00 0.00 C ATOM 0 H LEU A 86 5.387 8.124 5.366 1.00 0.00 H new ATOM 0 HA LEU A 86 5.989 10.803 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.257 8.820 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.566 10.428 3.793 1.00 0.00 H new ATOM 0 HG LEU A 86 4.747 10.806 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.167 11.196 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.306 11.958 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.226 10.456 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.331 9.166 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.298 8.269 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.820 8.408 1.590 1.00 0.00 H new ATOM 1340 N PHE A 87 2.854 10.404 6.150 1.00 0.00 N ATOM 1341 CA PHE A 87 1.751 11.057 6.855 1.00 0.00 C ATOM 1342 C PHE A 87 2.018 11.231 8.340 1.00 0.00 C ATOM 1343 O PHE A 87 1.460 12.133 8.967 1.00 0.00 O ATOM 1344 CB PHE A 87 0.425 10.371 6.554 1.00 0.00 C ATOM 1345 CG PHE A 87 0.044 10.584 5.117 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.406 11.822 4.694 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.197 9.575 4.180 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.705 12.049 3.373 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.095 9.799 2.848 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.547 11.041 2.446 1.00 0.00 C ATOM 0 H PHE A 87 2.617 9.499 5.743 1.00 0.00 H new ATOM 0 HA PHE A 87 1.674 12.073 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.504 9.304 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.353 10.766 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.524 12.620 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.548 8.603 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.064 13.018 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.030 9.007 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.776 11.222 1.406 1.00 0.00 H new ATOM 1360 N SER A 88 2.958 10.458 8.874 1.00 0.00 N ATOM 1361 CA SER A 88 3.400 10.642 10.238 1.00 0.00 C ATOM 1362 C SER A 88 4.275 11.918 10.353 1.00 0.00 C ATOM 1363 O SER A 88 4.433 12.479 11.447 1.00 0.00 O ATOM 1364 CB SER A 88 4.192 9.432 10.684 1.00 0.00 C ATOM 1365 OG SER A 88 3.333 8.342 11.020 1.00 0.00 O ATOM 0 H SER A 88 3.424 9.699 8.377 1.00 0.00 H new ATOM 0 HA SER A 88 2.527 10.759 10.880 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.874 9.128 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.804 9.694 11.547 1.00 0.00 H new ATOM 0 HG SER A 88 3.048 7.886 10.201 1.00 0.00 H new ATOM 1371 N SER A 89 4.822 12.378 9.219 1.00 0.00 N ATOM 1372 CA SER A 89 5.650 13.567 9.165 1.00 0.00 C ATOM 1373 C SER A 89 4.810 14.758 8.682 1.00 0.00 C ATOM 1374 O SER A 89 4.526 14.876 7.488 1.00 0.00 O ATOM 1375 CB SER A 89 6.840 13.336 8.222 1.00 0.00 C ATOM 1376 OG SER A 89 7.431 12.031 8.410 1.00 0.00 O ATOM 0 H SER A 89 4.695 11.925 8.314 1.00 0.00 H new ATOM 0 HA SER A 89 6.034 13.785 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.510 13.439 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.594 14.104 8.394 1.00 0.00 H new ATOM 0 HG SER A 89 6.832 11.345 8.048 1.00 0.00 H new ATOM 1382 N TYR A 90 4.390 15.611 9.642 1.00 0.00 N ATOM 1383 CA TYR A 90 3.530 16.795 9.385 1.00 0.00 C ATOM 1384 C TYR A 90 3.746 17.387 7.987 1.00 0.00 C ATOM 1385 O TYR A 90 2.821 17.435 7.175 1.00 0.00 O ATOM 1386 CB TYR A 90 3.761 17.868 10.462 1.00 0.00 C ATOM 1387 CG TYR A 90 2.666 17.944 11.507 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.570 18.774 11.331 1.00 0.00 C ATOM 1389 CD2 TYR A 90 2.737 17.196 12.673 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.581 18.858 12.280 1.00 0.00 C ATOM 1391 CE2 TYR A 90 1.751 17.275 13.631 1.00 0.00 C ATOM 1392 CZ TYR A 90 0.675 18.106 13.431 1.00 0.00 C ATOM 1393 OH TYR A 90 -0.306 18.188 14.392 1.00 0.00 O ATOM 0 H TYR A 90 4.638 15.499 10.625 1.00 0.00 H new ATOM 0 HA TYR A 90 2.496 16.454 9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.710 17.669 10.960 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.853 18.840 9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.492 19.366 10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.580 16.540 12.832 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.266 19.510 12.125 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.823 16.687 14.534 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.054 18.722 14.051 1.00 0.00 H new ATOM 1403 N GLY A 91 4.968 17.816 7.700 1.00 0.00 N ATOM 1404 CA GLY A 91 5.269 18.330 6.379 1.00 0.00 C ATOM 1405 C GLY A 91 6.015 17.304 5.585 1.00 0.00 C ATOM 1406 O GLY A 91 7.096 16.872 5.995 1.00 0.00 O ATOM 0 H GLY A 91 5.751 17.817 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.346 18.598 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.863 19.240 6.461 1.00 0.00 H new ATOM 1410 N ILE A 92 5.433 16.862 4.489 1.00 0.00 N ATOM 1411 CA ILE A 92 6.047 15.816 3.671 1.00 0.00 C ATOM 1412 C ILE A 92 7.384 16.271 3.121 1.00 0.00 C ATOM 1413 O ILE A 92 7.451 17.225 2.327 1.00 0.00 O ATOM 1414 CB ILE A 92 5.141 15.333 2.519 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.752 14.995 3.039 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.747 14.098 1.854 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.747 14.064 4.240 1.00 0.00 C ATOM 0 H ILE A 92 4.538 17.204 4.138 1.00 0.00 H new ATOM 0 HA ILE A 92 6.198 14.966 4.337 1.00 0.00 H new ATOM 0 HB ILE A 92 5.062 16.137 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.242 15.920 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.177 14.536 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.099 13.767 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.730 14.346 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.845 13.300 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.719 13.873 4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.226 13.122 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.292 14.528 5.062 1.00 0.00 H new ATOM 1429 N ASN A 93 8.432 15.609 3.556 1.00 0.00 N ATOM 1430 CA ASN A 93 9.804 15.954 3.155 1.00 0.00 C ATOM 1431 C ASN A 93 10.664 14.731 2.895 1.00 0.00 C ATOM 1432 O ASN A 93 10.366 13.644 3.402 1.00 0.00 O ATOM 1433 CB ASN A 93 10.497 16.807 4.250 1.00 0.00 C ATOM 1434 CG ASN A 93 10.311 16.289 5.683 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.496 14.998 5.917 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 10.016 17.065 6.590 1.00 0.00 N flip ATOM 0 H ASN A 93 8.373 14.817 4.196 1.00 0.00 H new ATOM 0 HA ASN A 93 9.712 16.518 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.564 16.856 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.113 17.826 4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.878 18.055 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.909 16.718 7.543 1.00 0.00 H new ATOM 1443 N ASP A 94 11.848 14.990 2.326 1.00 0.00 N ATOM 1444 CA ASP A 94 12.949 14.013 2.203 1.00 0.00 C ATOM 1445 C ASP A 94 12.581 12.693 1.485 1.00 0.00 C ATOM 1446 O ASP A 94 11.449 12.512 1.002 1.00 0.00 O ATOM 1447 CB ASP A 94 13.543 13.739 3.607 1.00 0.00 C ATOM 1448 CG ASP A 94 14.938 14.268 3.787 1.00 0.00 C ATOM 1449 OD1 ASP A 94 15.263 15.327 3.239 1.00 0.00 O ATOM 1450 OD2 ASP A 94 15.716 13.621 4.485 1.00 0.00 O ATOM 0 H ASP A 94 12.077 15.901 1.929 1.00 0.00 H new ATOM 0 HA ASP A 94 13.693 14.470 1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.894 14.187 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.546 12.664 3.787 1.00 0.00 H new ATOM 1455 N PRO A 95 13.588 11.743 1.366 1.00 0.00 N ATOM 1456 CA PRO A 95 13.414 10.449 0.687 1.00 0.00 C ATOM 1457 C PRO A 95 12.169 9.676 1.112 1.00 0.00 C ATOM 1458 O PRO A 95 11.695 8.854 0.348 1.00 0.00 O ATOM 1459 CB PRO A 95 14.668 9.667 1.073 1.00 0.00 C ATOM 1460 CG PRO A 95 15.702 10.710 1.275 1.00 0.00 C ATOM 1461 CD PRO A 95 14.988 11.899 1.846 1.00 0.00 C ATOM 0 HA PRO A 95 13.281 10.599 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.509 9.083 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.957 8.967 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.481 10.361 1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.189 10.963 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 95 15.038 11.909 2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 95 15.428 12.834 1.498 1.00 0.00 H new ATOM 1469 N GLU A 96 11.623 9.960 2.311 1.00 0.00 N ATOM 1470 CA GLU A 96 10.421 9.290 2.795 1.00 0.00 C ATOM 1471 C GLU A 96 9.347 9.267 1.696 1.00 0.00 C ATOM 1472 O GLU A 96 8.802 8.206 1.371 1.00 0.00 O ATOM 1473 CB GLU A 96 9.880 10.037 4.015 1.00 0.00 C ATOM 1474 CG GLU A 96 10.691 9.871 5.296 1.00 0.00 C ATOM 1475 CD GLU A 96 11.715 10.940 5.472 1.00 0.00 C ATOM 1476 OE1 GLU A 96 11.359 12.032 5.910 1.00 0.00 O ATOM 1477 OE2 GLU A 96 12.881 10.681 5.186 1.00 0.00 O ATOM 0 H GLU A 96 12.004 10.652 2.956 1.00 0.00 H new ATOM 0 HA GLU A 96 10.672 8.265 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.825 11.099 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.861 9.700 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.016 9.876 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.185 8.899 5.285 1.00 0.00 H new ATOM 1484 N LEU A 97 9.097 10.429 1.079 1.00 0.00 N ATOM 1485 CA LEU A 97 8.139 10.503 -0.022 1.00 0.00 C ATOM 1486 C LEU A 97 8.668 9.760 -1.242 1.00 0.00 C ATOM 1487 O LEU A 97 7.912 9.063 -1.934 1.00 0.00 O ATOM 1488 CB LEU A 97 7.808 11.954 -0.390 1.00 0.00 C ATOM 1489 CG LEU A 97 6.982 12.137 -1.670 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.544 11.696 -1.466 1.00 0.00 C ATOM 1491 CD2 LEU A 97 7.036 13.565 -2.135 1.00 0.00 C ATOM 0 H LEU A 97 9.539 11.316 1.321 1.00 0.00 H new ATOM 0 HA LEU A 97 7.219 10.026 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.265 12.407 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.742 12.505 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 97 7.419 11.504 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.985 11.838 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.523 10.642 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.090 12.290 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.444 13.674 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.633 14.216 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.070 13.842 -2.340 1.00 0.00 H new ATOM 1503 N GLN A 98 9.964 9.924 -1.519 1.00 0.00 N ATOM 1504 CA GLN A 98 10.586 9.267 -2.655 1.00 0.00 C ATOM 1505 C GLN A 98 10.470 7.748 -2.551 1.00 0.00 C ATOM 1506 O GLN A 98 10.141 7.087 -3.542 1.00 0.00 O ATOM 1507 CB GLN A 98 12.031 9.746 -2.847 1.00 0.00 C ATOM 1508 CG GLN A 98 12.117 11.251 -3.102 1.00 0.00 C ATOM 1509 CD GLN A 98 10.992 11.744 -3.971 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.712 11.168 -5.033 1.00 0.00 O ATOM 1511 NE2 GLN A 98 10.330 12.767 -3.549 1.00 0.00 N ATOM 0 H GLN A 98 10.596 10.506 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 98 10.043 9.553 -3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.614 9.496 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.480 9.212 -3.685 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.098 11.781 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.070 11.484 -3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.589 13.215 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.547 13.128 -4.094 1.00 0.00 H new ATOM 1520 N ARG A 99 10.617 7.217 -1.324 1.00 0.00 N ATOM 1521 CA ARG A 99 10.391 5.796 -1.064 1.00 0.00 C ATOM 1522 C ARG A 99 9.016 5.419 -1.600 1.00 0.00 C ATOM 1523 O ARG A 99 8.900 4.596 -2.499 1.00 0.00 O ATOM 1524 CB ARG A 99 10.410 5.496 0.438 1.00 0.00 C ATOM 1525 CG ARG A 99 11.599 6.057 1.206 1.00 0.00 C ATOM 1526 CD ARG A 99 12.016 5.127 2.336 1.00 0.00 C ATOM 1527 NE ARG A 99 10.855 4.497 3.017 1.00 0.00 N ATOM 1528 CZ ARG A 99 10.710 4.270 4.337 1.00 0.00 C ATOM 1529 NH1 ARG A 99 11.628 4.691 5.208 1.00 0.00 N ATOM 1530 NH2 ARG A 99 9.610 3.636 4.763 1.00 0.00 N ATOM 0 H ARG A 99 10.891 7.755 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 99 11.184 5.227 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.495 5.891 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.389 4.415 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.437 6.204 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.343 7.035 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.666 4.347 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.600 5.688 3.066 1.00 0.00 H new ATOM 0 HE ARG A 99 10.082 4.204 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.453 5.192 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.505 4.512 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.903 3.335 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.480 3.454 5.758 1.00 0.00 H new ATOM 1544 N TRP A 100 7.983 6.111 -1.075 1.00 0.00 N ATOM 1545 CA TRP A 100 6.583 5.923 -1.494 1.00 0.00 C ATOM 1546 C TRP A 100 6.474 5.814 -3.008 1.00 0.00 C ATOM 1547 O TRP A 100 5.853 4.875 -3.538 1.00 0.00 O ATOM 1548 CB TRP A 100 5.723 7.104 -1.006 1.00 0.00 C ATOM 1549 CG TRP A 100 4.326 6.734 -0.637 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.951 5.832 0.294 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.119 7.260 -1.192 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.595 5.759 0.361 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.054 6.622 -0.536 1.00 0.00 C ATOM 1554 CE3 TRP A 100 2.834 8.206 -2.175 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.729 6.898 -0.830 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.514 8.476 -2.466 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.481 7.823 -1.792 1.00 0.00 C ATOM 0 H TRP A 100 8.099 6.816 -0.348 1.00 0.00 H new ATOM 0 HA TRP A 100 6.222 4.995 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.207 7.558 -0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.691 7.863 -1.788 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.631 5.251 0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.067 5.151 0.987 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.630 8.716 -2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -0.076 6.396 -0.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.275 9.204 -3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.543 8.060 -2.042 1.00 0.00 H new ATOM 1568 N GLN A 101 7.085 6.783 -3.706 1.00 0.00 N ATOM 1569 CA GLN A 101 7.069 6.813 -5.168 1.00 0.00 C ATOM 1570 C GLN A 101 7.633 5.508 -5.746 1.00 0.00 C ATOM 1571 O GLN A 101 6.995 4.870 -6.598 1.00 0.00 O ATOM 1572 CB GLN A 101 7.861 8.019 -5.735 1.00 0.00 C ATOM 1573 CG GLN A 101 7.722 9.327 -4.957 1.00 0.00 C ATOM 1574 CD GLN A 101 7.419 10.509 -5.832 1.00 0.00 C ATOM 1575 OE1 GLN A 101 7.792 10.551 -7.010 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.760 11.477 -5.278 1.00 0.00 N ATOM 0 H GLN A 101 7.596 7.555 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 101 6.027 6.922 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.917 7.751 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.538 8.192 -6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.929 9.219 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.645 9.516 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.470 11.404 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.531 12.312 -5.817 1.00 0.00 H new ATOM 1585 N LYS A 102 8.828 5.131 -5.293 1.00 0.00 N ATOM 1586 CA LYS A 102 9.521 3.927 -5.778 1.00 0.00 C ATOM 1587 C LYS A 102 8.869 2.618 -5.297 1.00 0.00 C ATOM 1588 O LYS A 102 8.650 1.696 -6.093 1.00 0.00 O ATOM 1589 CB LYS A 102 10.995 3.951 -5.349 1.00 0.00 C ATOM 1590 CG LYS A 102 11.727 5.260 -5.658 1.00 0.00 C ATOM 1591 CD LYS A 102 12.729 5.608 -4.585 1.00 0.00 C ATOM 1592 CE LYS A 102 14.126 5.776 -5.168 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.633 7.170 -5.058 1.00 0.00 N ATOM 0 H LYS A 102 9.346 5.647 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 102 9.444 3.946 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.051 3.763 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.517 3.132 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.237 5.174 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.002 6.068 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.427 6.529 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.740 4.825 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.812 5.103 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.115 5.480 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.586 7.226 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.996 7.813 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.672 7.447 -4.056 1.00 0.00 H new ATOM 1607 N THR A 103 8.605 2.516 -3.999 1.00 0.00 N ATOM 1608 CA THR A 103 8.038 1.293 -3.406 1.00 0.00 C ATOM 1609 C THR A 103 6.722 0.908 -4.070 1.00 0.00 C ATOM 1610 O THR A 103 6.497 -0.278 -4.373 1.00 0.00 O ATOM 1611 CB THR A 103 7.894 1.435 -1.880 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.958 2.193 -1.370 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.892 0.122 -1.113 1.00 0.00 C ATOM 0 H THR A 103 8.773 3.265 -3.328 1.00 0.00 H new ATOM 0 HA THR A 103 8.736 0.476 -3.592 1.00 0.00 H new ATOM 0 HB THR A 103 6.923 1.909 -1.739 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.771 2.435 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.786 0.323 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.059 -0.495 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.829 -0.405 -1.291 1.00 0.00 H new ATOM 1621 N LYS A 104 5.875 1.896 -4.370 1.00 0.00 N ATOM 1622 CA LYS A 104 4.645 1.598 -5.074 1.00 0.00 C ATOM 1623 C LYS A 104 4.966 1.000 -6.460 1.00 0.00 C ATOM 1624 O LYS A 104 4.470 -0.083 -6.794 1.00 0.00 O ATOM 1625 CB LYS A 104 3.718 2.828 -5.162 1.00 0.00 C ATOM 1626 CG LYS A 104 4.208 3.942 -6.074 1.00 0.00 C ATOM 1627 CD LYS A 104 3.384 3.997 -7.367 1.00 0.00 C ATOM 1628 CE LYS A 104 4.188 4.486 -8.577 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.141 5.587 -8.258 1.00 0.00 N ATOM 0 H LYS A 104 6.019 2.879 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 104 4.091 0.851 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.738 2.501 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.582 3.234 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.141 4.898 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.259 3.784 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.988 3.004 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.529 4.656 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.743 3.647 -8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.497 4.828 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.709 5.809 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.610 6.432 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.770 5.289 -7.485 1.00 0.00 H new ATOM 1643 N GLU A 105 5.912 1.642 -7.210 1.00 0.00 N ATOM 1644 CA GLU A 105 6.373 1.098 -8.511 1.00 0.00 C ATOM 1645 C GLU A 105 6.801 -0.341 -8.343 1.00 0.00 C ATOM 1646 O GLU A 105 6.383 -1.210 -9.125 1.00 0.00 O ATOM 1647 CB GLU A 105 7.547 1.905 -9.093 1.00 0.00 C ATOM 1648 CG GLU A 105 7.290 3.397 -9.202 1.00 0.00 C ATOM 1649 CD GLU A 105 6.572 3.811 -10.451 1.00 0.00 C ATOM 1650 OE1 GLU A 105 5.832 2.995 -11.038 1.00 0.00 O ATOM 1651 OE2 GLU A 105 6.723 4.959 -10.836 1.00 0.00 O ATOM 0 H GLU A 105 6.358 2.518 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 105 5.536 1.168 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.426 1.745 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.784 1.516 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.706 3.717 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.244 3.922 -9.154 1.00 0.00 H new ATOM 1658 N ARG A 106 7.611 -0.591 -7.306 1.00 0.00 N ATOM 1659 CA ARG A 106 8.069 -1.936 -6.978 1.00 0.00 C ATOM 1660 C ARG A 106 6.872 -2.870 -6.832 1.00 0.00 C ATOM 1661 O ARG A 106 6.765 -3.860 -7.542 1.00 0.00 O ATOM 1662 CB ARG A 106 8.875 -1.931 -5.670 1.00 0.00 C ATOM 1663 CG ARG A 106 10.203 -1.227 -5.745 1.00 0.00 C ATOM 1664 CD ARG A 106 10.877 -1.227 -4.392 1.00 0.00 C ATOM 1665 NE ARG A 106 10.957 -2.570 -3.780 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.056 -2.787 -2.445 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.329 -1.761 -1.627 1.00 0.00 N ATOM 1668 NH2 ARG A 106 10.942 -4.022 -1.955 1.00 0.00 N ATOM 0 H ARG A 106 7.962 0.132 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 106 8.711 -2.286 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.274 -1.460 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.044 -2.962 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.842 -1.721 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.060 -0.202 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.883 -0.821 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.332 -0.562 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 106 10.937 -3.381 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.461 -0.825 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.405 -1.916 -0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.780 -4.808 -2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.017 -4.181 -0.950 1.00 0.00 H new ATOM 1682 N LEU A 107 5.928 -2.496 -5.957 1.00 0.00 N ATOM 1683 CA LEU A 107 4.700 -3.282 -5.747 1.00 0.00 C ATOM 1684 C LEU A 107 3.991 -3.575 -7.072 1.00 0.00 C ATOM 1685 O LEU A 107 3.521 -4.690 -7.311 1.00 0.00 O ATOM 1686 CB LEU A 107 3.744 -2.535 -4.808 1.00 0.00 C ATOM 1687 CG LEU A 107 2.855 -3.412 -3.925 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.610 -3.880 -2.700 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.607 -2.661 -3.517 1.00 0.00 C ATOM 0 H LEU A 107 5.989 -1.655 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 107 4.989 -4.230 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.334 -1.884 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.103 -1.891 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 107 2.561 -4.288 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.958 -4.502 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.480 -4.460 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.936 -3.016 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.986 -3.300 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.886 -1.767 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.048 -2.374 -4.407 1.00 0.00 H new ATOM 1701 N PHE A 108 3.950 -2.575 -7.938 1.00 0.00 N ATOM 1702 CA PHE A 108 3.317 -2.692 -9.242 1.00 0.00 C ATOM 1703 C PHE A 108 4.035 -3.703 -10.115 1.00 0.00 C ATOM 1704 O PHE A 108 3.385 -4.414 -10.876 1.00 0.00 O ATOM 1705 CB PHE A 108 3.228 -1.329 -9.952 1.00 0.00 C ATOM 1706 CG PHE A 108 2.041 -0.488 -9.528 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.787 -0.239 -8.188 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.187 0.054 -10.470 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.713 0.529 -7.800 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.110 0.824 -10.088 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.126 1.061 -8.752 1.00 0.00 C ATOM 0 H PHE A 108 4.356 -1.657 -7.756 1.00 0.00 H new ATOM 0 HA PHE A 108 2.301 -3.049 -9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.144 -0.770 -9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.177 -1.494 -11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.442 -0.654 -7.437 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.366 -0.128 -11.519 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.529 0.714 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.548 1.241 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.970 1.665 -8.452 1.00 0.00 H new ATOM 1721 N ARG A 109 5.364 -3.832 -9.960 1.00 0.00 N ATOM 1722 CA ARG A 109 6.108 -4.852 -10.719 1.00 0.00 C ATOM 1723 C ARG A 109 5.600 -6.230 -10.337 1.00 0.00 C ATOM 1724 O ARG A 109 5.333 -7.057 -11.212 1.00 0.00 O ATOM 1725 CB ARG A 109 7.663 -4.806 -10.538 1.00 0.00 C ATOM 1726 CG ARG A 109 8.268 -3.530 -9.939 1.00 0.00 C ATOM 1727 CD ARG A 109 8.990 -2.663 -10.965 1.00 0.00 C ATOM 1728 NE ARG A 109 8.382 -2.684 -12.304 1.00 0.00 N ATOM 1729 CZ ARG A 109 7.380 -1.880 -12.708 1.00 0.00 C ATOM 1730 NH1 ARG A 109 6.642 -1.211 -11.807 1.00 0.00 N ATOM 1731 NH2 ARG A 109 7.078 -1.806 -14.002 1.00 0.00 N ATOM 0 H ARG A 109 5.932 -3.261 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 109 5.926 -4.630 -11.770 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.953 -5.645 -9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.120 -4.969 -11.514 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.475 -2.945 -9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.968 -3.804 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.013 -1.635 -10.604 1.00 0.00 H new ATOM 0 HD3 ARG A 109 10.025 -2.996 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 109 8.747 -3.358 -12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.839 -1.311 -10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.884 -0.603 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.604 -2.356 -14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.320 -1.199 -14.315 1.00 0.00 H new ATOM 1745 N LEU A 110 5.411 -6.455 -9.019 1.00 0.00 N ATOM 1746 CA LEU A 110 4.905 -7.684 -8.502 1.00 0.00 C ATOM 1747 C LEU A 110 3.585 -8.050 -9.156 1.00 0.00 C ATOM 1748 O LEU A 110 3.449 -9.137 -9.742 1.00 0.00 O ATOM 1749 CB LEU A 110 4.767 -7.539 -7.000 1.00 0.00 C ATOM 1750 CG LEU A 110 6.100 -7.572 -6.251 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.772 -6.250 -6.253 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.985 -8.102 -4.849 1.00 0.00 C ATOM 0 H LEU A 110 5.617 -5.762 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 110 5.594 -8.498 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.261 -6.599 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.130 -8.340 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 110 6.721 -8.275 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.715 -6.320 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.967 -5.943 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.129 -5.514 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.967 -8.097 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.304 -7.472 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.600 -9.121 -4.876 1.00 0.00 H new ATOM 1764 N PHE A 111 2.632 -7.123 -9.103 1.00 0.00 N ATOM 1765 CA PHE A 111 1.325 -7.323 -9.732 1.00 0.00 C ATOM 1766 C PHE A 111 1.461 -7.439 -11.260 1.00 0.00 C ATOM 1767 O PHE A 111 0.745 -8.211 -11.891 1.00 0.00 O ATOM 1768 CB PHE A 111 0.368 -6.167 -9.382 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.085 -6.164 -7.944 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.091 -7.016 -7.512 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.498 -5.308 -7.024 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.501 -7.012 -6.191 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.093 -5.301 -5.708 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.905 -6.150 -5.290 1.00 0.00 C ATOM 0 H PHE A 111 2.738 -6.225 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 111 0.912 -8.255 -9.346 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.863 -5.220 -9.599 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.508 -6.225 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.559 -7.690 -8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.281 -4.637 -7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.284 -7.680 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.559 -4.628 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.223 -6.143 -4.258 1.00 0.00 H new ATOM 1784 N SER A 112 2.356 -6.643 -11.846 1.00 0.00 N ATOM 1785 CA SER A 112 2.549 -6.590 -13.307 1.00 0.00 C ATOM 1786 C SER A 112 3.307 -7.797 -13.925 1.00 0.00 C ATOM 1787 O SER A 112 3.726 -7.708 -15.086 1.00 0.00 O ATOM 1788 CB SER A 112 3.225 -5.274 -13.724 1.00 0.00 C ATOM 1789 OG SER A 112 2.512 -4.139 -13.223 1.00 0.00 O ATOM 0 H SER A 112 2.970 -6.015 -11.327 1.00 0.00 H new ATOM 0 HA SER A 112 1.540 -6.645 -13.714 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.249 -5.255 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.280 -5.220 -14.811 1.00 0.00 H new ATOM 0 HG SER A 112 2.515 -4.157 -12.243 1.00 0.00 H new ATOM 1795 N GLY A 113 3.449 -8.920 -13.210 1.00 0.00 N ATOM 1796 CA GLY A 113 4.115 -10.075 -13.828 1.00 0.00 C ATOM 1797 C GLY A 113 5.244 -10.685 -13.030 1.00 0.00 C ATOM 1798 O GLY A 113 6.283 -11.063 -13.601 1.00 0.00 O ATOM 0 H GLY A 113 3.130 -9.054 -12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.367 -10.846 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.505 -9.770 -14.799 1.00 0.00 H new ATOM 1802 N GLU A 114 5.014 -10.897 -11.747 1.00 0.00 N ATOM 1803 CA GLU A 114 5.960 -11.617 -10.902 1.00 0.00 C ATOM 1804 C GLU A 114 5.218 -12.798 -10.241 1.00 0.00 C ATOM 1805 O GLU A 114 4.207 -13.286 -10.775 1.00 0.00 O ATOM 1806 CB GLU A 114 6.561 -10.692 -9.811 1.00 0.00 C ATOM 1807 CG GLU A 114 7.173 -9.372 -10.306 1.00 0.00 C ATOM 1808 CD GLU A 114 8.506 -9.089 -9.693 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.618 -9.098 -8.458 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.447 -8.861 -10.437 1.00 0.00 O ATOM 0 H GLU A 114 4.175 -10.580 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 114 6.785 -11.978 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.778 -10.458 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.331 -11.248 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.277 -9.408 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.492 -8.552 -10.078 1.00 0.00 H new ATOM 1817 N TYR A 115 5.679 -13.201 -9.063 1.00 0.00 N ATOM 1818 CA TYR A 115 5.054 -14.277 -8.262 1.00 0.00 C ATOM 1819 C TYR A 115 3.525 -14.107 -8.161 1.00 0.00 C ATOM 1820 O TYR A 115 2.805 -15.097 -8.004 1.00 0.00 O ATOM 1821 CB TYR A 115 5.658 -14.374 -6.821 1.00 0.00 C ATOM 1822 CG TYR A 115 6.475 -13.174 -6.470 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.875 -11.948 -6.339 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.848 -13.247 -6.393 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.604 -10.832 -6.148 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.594 -12.123 -6.173 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.967 -10.915 -6.056 1.00 0.00 C ATOM 1828 OH TYR A 115 8.706 -9.774 -5.896 1.00 0.00 O ATOM 0 H TYR A 115 6.504 -12.794 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 115 5.273 -15.203 -8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.851 -14.486 -6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.278 -15.268 -6.748 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.799 -11.876 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.340 -14.202 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.114 -9.873 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.669 -12.189 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 115 9.054 -9.485 -6.765 1.00 0.00 H new ATOM 1838 N ILE A 116 3.026 -12.856 -8.263 1.00 0.00 N ATOM 1839 CA ILE A 116 1.586 -12.602 -8.214 1.00 0.00 C ATOM 1840 C ILE A 116 0.855 -13.403 -9.308 1.00 0.00 C ATOM 1841 O ILE A 116 -0.201 -13.971 -9.052 1.00 0.00 O ATOM 1842 CB ILE A 116 1.240 -11.084 -8.333 1.00 0.00 C ATOM 1843 CG1 ILE A 116 2.058 -10.248 -7.335 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.244 -10.855 -8.088 1.00 0.00 C ATOM 1845 CD1 ILE A 116 1.594 -10.386 -5.903 1.00 0.00 C ATOM 0 H ILE A 116 3.599 -12.020 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 116 1.242 -12.935 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 116 1.493 -10.767 -9.345 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.105 -10.545 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.006 -9.199 -7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.467 -9.792 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.824 -11.409 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.505 -11.200 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.218 -9.768 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.556 -10.062 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.673 -11.428 -5.594 1.00 0.00 H new ATOM 1857 N SER A 117 1.457 -13.507 -10.498 1.00 0.00 N ATOM 1858 CA SER A 117 0.873 -14.308 -11.582 1.00 0.00 C ATOM 1859 C SER A 117 0.632 -15.754 -11.118 1.00 0.00 C ATOM 1860 O SER A 117 -0.453 -16.306 -11.343 1.00 0.00 O ATOM 1861 CB SER A 117 1.752 -14.278 -12.828 1.00 0.00 C ATOM 1862 OG SER A 117 2.636 -13.139 -12.824 1.00 0.00 O ATOM 0 H SER A 117 2.339 -13.052 -10.735 1.00 0.00 H new ATOM 0 HA SER A 117 -0.088 -13.866 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.339 -15.195 -12.883 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.123 -14.248 -13.718 1.00 0.00 H new ATOM 0 HG SER A 117 3.426 -13.340 -12.279 1.00 0.00 H new