USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 745 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 70 HIS : no HD1:sc= -2.03! X(o=-1.2!,f=-1.3) USER MOD Set 1.2: A 74 CYS SG : rot 146:sc= -0.125 USER MOD Set 1.3: A 84 CYS SG : rot 106:sc= 0.916 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= 0.731 F(o=0.65,f=1.6) USER MOD Set 2.2: B 12 SER OG : rot 76:sc= 0.832 USER MOD Set 3.1: A 46 THR OG1 : rot -160:sc= -4.38! USER MOD Set 3.2: A 60 CYS SG : rot 99:sc= -7.87! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.25 X(o=-0.65,f=-0.42) USER MOD Set 4.2: A 49 CYS SG : rot 92:sc= -0.398 USER MOD Set 5.1: A 35 SER OG : rot 180:sc= -1.76! USER MOD Set 5.2: B 21 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 22 HIS :FLIP no HE2:sc= 0.411 F(o=-4.2,f=-0.41) USER MOD Set 6.2: A 26 CYS SG : rot 157:sc= 0.698 USER MOD Set 6.3: A 36 CYS SG : rot -164:sc= -1.52! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -114:sc= 0.518 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.781 X(o=-0.78,f=-0.69) USER MOD Single : A 19 SER OG : rot 87:sc= -1.43! USER MOD Single : A 25 GLN : amide:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.313 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.81) USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= 0.131 (180deg=-3.24!) USER MOD Single : A 39 MET CE :methyl 176:sc= -6.12! (180deg=-6.28!) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -1.69! (180deg=-3.68!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0431 F(o=-1,f=-0.043) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0498) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.641! (180deg=-0.698!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -4.57! USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00548) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -2.03! C(o=-2!,f=-7.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 36:sc= 1.24 USER MOD Single : A 86 ASN : amide:sc= 0.235 X(o=0.24,f=-0.014) USER MOD Single : A 88 LYS NZ :NH3+ 148:sc= -0.458 (180deg=-2.62!) USER MOD Single : B 18 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 11.802 -12.496 1.178 1.00 0.00 N ATOM 77 CA ASP A 7 11.380 -12.268 -0.161 1.00 0.00 C ATOM 78 C ASP A 7 9.887 -12.358 0.011 1.00 0.00 C ATOM 79 O ASP A 7 9.177 -11.515 -0.349 1.00 0.00 O ATOM 80 CB ASP A 7 11.794 -13.412 -1.005 1.00 0.00 C ATOM 81 CG ASP A 7 11.451 -13.382 -2.485 1.00 0.00 C ATOM 82 OD1 ASP A 7 10.293 -13.708 -2.849 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.339 -13.169 -3.301 1.00 0.00 O ATOM 0 HA ASP A 7 11.763 -11.351 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.876 -13.514 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.353 -14.314 -0.581 1.00 0.00 H new ATOM 88 N SER A 8 9.466 -13.307 0.765 1.00 0.00 N ATOM 89 CA SER A 8 8.114 -13.396 0.934 1.00 0.00 C ATOM 90 C SER A 8 7.536 -12.206 1.826 1.00 0.00 C ATOM 91 O SER A 8 6.465 -11.739 1.542 1.00 0.00 O ATOM 92 CB SER A 8 7.597 -14.788 1.268 1.00 0.00 C ATOM 93 OG SER A 8 6.174 -14.840 1.236 1.00 0.00 O ATOM 0 H SER A 8 10.038 -13.999 1.249 1.00 0.00 H new ATOM 0 HA SER A 8 7.679 -13.240 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.004 -15.508 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.950 -15.081 2.257 1.00 0.00 H new ATOM 0 HG SER A 8 5.875 -15.748 1.453 1.00 0.00 H new ATOM 99 N ARG A 9 8.287 -11.683 2.874 1.00 0.00 N ATOM 100 CA ARG A 9 7.839 -10.518 3.583 1.00 0.00 C ATOM 101 C ARG A 9 7.932 -9.261 2.693 1.00 0.00 C ATOM 102 O ARG A 9 6.976 -8.512 2.593 1.00 0.00 O ATOM 103 CB ARG A 9 8.670 -10.291 4.828 1.00 0.00 C ATOM 104 CG ARG A 9 7.889 -9.799 5.966 1.00 0.00 C ATOM 105 CD ARG A 9 6.798 -10.814 6.360 1.00 0.00 C ATOM 106 NE ARG A 9 6.130 -10.508 7.618 1.00 0.00 N ATOM 107 CZ ARG A 9 4.815 -10.687 7.832 1.00 0.00 C ATOM 108 NH1 ARG A 9 3.963 -10.829 6.803 1.00 0.00 N ATOM 109 NH2 ARG A 9 4.343 -10.660 9.060 1.00 0.00 N ATOM 0 H ARG A 9 9.172 -12.071 3.201 1.00 0.00 H new ATOM 0 HA ARG A 9 6.800 -10.691 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.156 -11.226 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.461 -9.575 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.549 -9.619 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.429 -8.844 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.053 -10.857 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.247 -11.805 6.430 1.00 0.00 H new ATOM 0 HE ARG A 9 6.694 -10.136 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.312 -10.802 5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.968 -10.964 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.974 -10.504 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.346 -10.795 9.226 1.00 0.00 H new ATOM 123 N ARG A 10 9.087 -9.049 2.033 1.00 0.00 N ATOM 124 CA ARG A 10 9.286 -7.854 1.191 1.00 0.00 C ATOM 125 C ARG A 10 8.376 -7.861 0.031 1.00 0.00 C ATOM 126 O ARG A 10 7.754 -6.869 -0.251 1.00 0.00 O ATOM 127 CB ARG A 10 10.724 -7.631 0.678 1.00 0.00 C ATOM 128 CG ARG A 10 11.680 -6.994 1.666 1.00 0.00 C ATOM 129 CD ARG A 10 12.636 -7.982 2.289 1.00 0.00 C ATOM 130 NE ARG A 10 13.369 -7.337 3.393 1.00 0.00 N ATOM 131 CZ ARG A 10 14.426 -7.813 4.059 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.115 -8.846 3.601 1.00 0.00 N ATOM 133 NH2 ARG A 10 14.841 -7.176 5.136 1.00 0.00 N ATOM 0 H ARG A 10 9.887 -9.681 2.065 1.00 0.00 H new ATOM 0 HA ARG A 10 9.064 -7.028 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.134 -8.593 0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.680 -7.005 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.251 -6.216 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.106 -6.507 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.088 -8.848 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.337 -8.347 1.538 1.00 0.00 H new ATOM 0 HE ARG A 10 13.030 -6.420 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.842 -9.293 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.919 -9.195 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.357 -6.334 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.646 -7.525 5.657 1.00 0.00 H new ATOM 147 N LEU A 11 8.271 -9.001 -0.617 1.00 0.00 N ATOM 148 CA LEU A 11 7.416 -9.154 -1.746 1.00 0.00 C ATOM 149 C LEU A 11 6.029 -9.025 -1.385 1.00 0.00 C ATOM 150 O LEU A 11 5.268 -8.497 -2.127 1.00 0.00 O ATOM 151 CB LEU A 11 7.689 -10.388 -2.537 1.00 0.00 C ATOM 152 CG LEU A 11 9.004 -10.292 -3.359 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.285 -10.274 -2.612 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.998 -11.099 -4.592 1.00 0.00 C ATOM 0 H LEU A 11 8.785 -9.845 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 11 7.652 -8.329 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.748 -11.242 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.855 -10.574 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 11 8.981 -9.257 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.115 -10.204 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.304 -9.414 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.379 -11.190 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.950 -10.979 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.852 -12.149 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.188 -10.766 -5.241 1.00 0.00 H new ATOM 166 N SER A 12 5.721 -9.416 -0.190 1.00 0.00 N ATOM 167 CA SER A 12 4.369 -9.282 0.298 1.00 0.00 C ATOM 168 C SER A 12 4.003 -7.781 0.393 1.00 0.00 C ATOM 169 O SER A 12 2.933 -7.365 -0.010 1.00 0.00 O ATOM 170 CB SER A 12 4.182 -9.965 1.650 1.00 0.00 C ATOM 171 OG SER A 12 2.824 -10.067 2.004 1.00 0.00 O ATOM 0 H SER A 12 6.378 -9.830 0.471 1.00 0.00 H new ATOM 0 HA SER A 12 3.701 -9.778 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.624 -10.961 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.716 -9.404 2.417 1.00 0.00 H new ATOM 0 HG SER A 12 2.650 -9.517 2.796 1.00 0.00 H new ATOM 177 N ILE A 13 4.934 -6.975 0.890 1.00 0.00 N ATOM 178 CA ILE A 13 4.718 -5.512 0.951 1.00 0.00 C ATOM 179 C ILE A 13 4.938 -4.798 -0.335 1.00 0.00 C ATOM 180 O ILE A 13 4.367 -3.754 -0.550 1.00 0.00 O ATOM 181 CB ILE A 13 5.383 -4.707 2.025 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.470 -5.415 2.631 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.383 -4.193 3.043 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.419 -4.530 3.307 1.00 0.00 C ATOM 0 H ILE A 13 5.834 -7.290 1.253 1.00 0.00 H new ATOM 0 HA ILE A 13 3.663 -5.554 1.221 1.00 0.00 H new ATOM 0 HB ILE A 13 5.819 -3.830 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.074 -6.132 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.996 -5.987 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.905 -3.614 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.650 -3.559 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.875 -5.036 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.220 -5.124 3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.840 -3.829 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.904 -3.977 4.093 1.00 0.00 H new ATOM 196 N GLN A 14 5.851 -5.257 -1.114 1.00 0.00 N ATOM 197 CA GLN A 14 5.966 -4.848 -2.478 1.00 0.00 C ATOM 198 C GLN A 14 4.595 -5.008 -3.134 1.00 0.00 C ATOM 199 O GLN A 14 4.166 -4.158 -3.839 1.00 0.00 O ATOM 200 CB GLN A 14 6.924 -5.770 -3.158 1.00 0.00 C ATOM 201 CG GLN A 14 7.060 -5.534 -4.583 1.00 0.00 C ATOM 202 CD GLN A 14 7.894 -4.344 -4.934 1.00 0.00 C ATOM 203 OE1 GLN A 14 7.397 -3.228 -5.026 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.148 -4.578 -5.189 1.00 0.00 N ATOM 0 H GLN A 14 6.552 -5.938 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 14 6.310 -3.816 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.903 -5.671 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.597 -6.798 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.498 -6.419 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.067 -5.407 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.519 -5.524 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.760 -3.816 -5.479 1.00 0.00 H new ATOM 213 N ARG A 15 3.957 -6.136 -2.882 1.00 0.00 N ATOM 214 CA ARG A 15 2.592 -6.424 -3.337 1.00 0.00 C ATOM 215 C ARG A 15 1.587 -5.589 -2.679 1.00 0.00 C ATOM 216 O ARG A 15 0.602 -5.285 -3.231 1.00 0.00 O ATOM 217 CB ARG A 15 2.245 -7.799 -3.043 1.00 0.00 C ATOM 218 CG ARG A 15 3.048 -8.741 -3.897 1.00 0.00 C ATOM 219 CD ARG A 15 2.472 -10.101 -3.798 1.00 0.00 C ATOM 220 NE ARG A 15 3.034 -11.031 -4.763 1.00 0.00 N ATOM 221 CZ ARG A 15 2.688 -12.315 -4.879 1.00 0.00 C ATOM 222 NH1 ARG A 15 1.925 -12.891 -3.962 1.00 0.00 N ATOM 223 NH2 ARG A 15 3.138 -13.030 -5.894 1.00 0.00 N ATOM 0 H ARG A 15 4.373 -6.898 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 15 2.588 -6.221 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.428 -8.009 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.181 -7.957 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.042 -8.405 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.088 -8.749 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.638 -10.487 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.393 -10.044 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 15 3.747 -10.676 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.597 -12.353 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.665 -13.873 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.750 -12.601 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.874 -14.011 -5.983 1.00 0.00 H new ATOM 237 N ALA A 16 1.860 -5.262 -1.498 1.00 0.00 N ATOM 238 CA ALA A 16 1.053 -4.442 -0.686 1.00 0.00 C ATOM 239 C ALA A 16 1.056 -3.103 -1.278 1.00 0.00 C ATOM 240 O ALA A 16 0.045 -2.518 -1.433 1.00 0.00 O ATOM 241 CB ALA A 16 1.590 -4.511 0.708 1.00 0.00 C ATOM 0 H ALA A 16 2.709 -5.575 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 16 0.012 -4.761 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.984 -3.884 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.557 -5.542 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.621 -4.157 0.719 1.00 0.00 H new ATOM 247 N ILE A 17 2.219 -2.663 -1.663 1.00 0.00 N ATOM 248 CA ILE A 17 2.369 -1.500 -2.442 1.00 0.00 C ATOM 249 C ILE A 17 1.799 -1.663 -3.831 1.00 0.00 C ATOM 250 O ILE A 17 1.112 -0.858 -4.233 1.00 0.00 O ATOM 251 CB ILE A 17 3.782 -1.127 -2.608 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.374 -0.670 -1.378 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.886 -0.073 -3.600 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.793 -0.524 -1.482 1.00 0.00 C ATOM 0 H ILE A 17 3.099 -3.123 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 17 1.827 -0.727 -1.897 1.00 0.00 H new ATOM 0 HB ILE A 17 4.321 -2.019 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.932 0.286 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.141 -1.375 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.932 0.206 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.488 -0.428 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.316 0.795 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.194 -0.177 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.240 -1.485 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.028 0.202 -2.260 1.00 0.00 H new ATOM 266 N GLN A 18 2.178 -2.684 -4.578 1.00 0.00 N ATOM 267 CA GLN A 18 1.678 -2.872 -5.943 1.00 0.00 C ATOM 268 C GLN A 18 0.210 -2.932 -5.935 1.00 0.00 C ATOM 269 O GLN A 18 -0.409 -2.381 -6.809 1.00 0.00 O ATOM 270 CB GLN A 18 2.227 -4.129 -6.590 1.00 0.00 C ATOM 271 CG GLN A 18 3.709 -4.076 -6.941 1.00 0.00 C ATOM 272 CD GLN A 18 4.193 -5.345 -7.633 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.438 -6.017 -8.329 1.00 0.00 O ATOM 274 NE2 GLN A 18 5.450 -5.678 -7.466 1.00 0.00 N ATOM 0 H GLN A 18 2.832 -3.402 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 18 2.019 -2.019 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.058 -4.970 -5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.660 -4.329 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.895 -3.220 -7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.289 -3.919 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.057 -5.102 -6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.821 -6.513 -7.920 1.00 0.00 H new ATOM 283 N SER A 19 -0.354 -3.562 -4.935 1.00 0.00 N ATOM 284 CA SER A 19 -1.749 -3.559 -4.802 1.00 0.00 C ATOM 285 C SER A 19 -2.214 -2.240 -4.459 1.00 0.00 C ATOM 286 O SER A 19 -3.141 -1.790 -5.031 1.00 0.00 O ATOM 287 CB SER A 19 -2.262 -4.572 -3.846 1.00 0.00 C ATOM 288 OG SER A 19 -2.040 -5.873 -4.348 1.00 0.00 O ATOM 0 H SER A 19 0.150 -4.077 -4.213 1.00 0.00 H new ATOM 0 HA SER A 19 -2.152 -3.844 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.766 -4.457 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.328 -4.416 -3.677 1.00 0.00 H new ATOM 0 HG SER A 19 -1.147 -6.177 -4.084 1.00 0.00 H new ATOM 294 N LEU A 20 -1.524 -1.603 -3.587 1.00 0.00 N ATOM 295 CA LEU A 20 -1.845 -0.332 -3.164 1.00 0.00 C ATOM 296 C LEU A 20 -1.768 0.698 -4.287 1.00 0.00 C ATOM 297 O LEU A 20 -2.653 1.513 -4.452 1.00 0.00 O ATOM 298 CB LEU A 20 -0.955 0.061 -2.070 1.00 0.00 C ATOM 299 CG LEU A 20 -1.432 1.097 -1.372 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.292 0.565 -0.305 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.383 1.989 -1.000 1.00 0.00 C ATOM 0 H LEU A 20 -0.690 -1.987 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.879 -0.356 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.809 -0.787 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.023 0.319 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.077 1.747 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.696 1.390 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.112 -0.002 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.707 -0.088 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.798 2.823 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.344 1.459 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.107 2.368 -1.897 1.00 0.00 H new ATOM 313 N VAL A 21 -0.704 0.639 -5.017 1.00 0.00 N ATOM 314 CA VAL A 21 -0.428 1.438 -6.128 1.00 0.00 C ATOM 315 C VAL A 21 -1.480 1.232 -7.164 1.00 0.00 C ATOM 316 O VAL A 21 -1.996 2.157 -7.725 1.00 0.00 O ATOM 317 CB VAL A 21 0.962 1.106 -6.746 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.983 1.650 -8.111 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.134 1.652 -5.901 1.00 0.00 C ATOM 0 H VAL A 21 0.044 -0.027 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.416 2.476 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 21 1.100 0.025 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.946 1.434 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.187 1.191 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.831 2.729 -8.075 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.079 1.392 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.053 2.736 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.099 1.214 -4.904 1.00 0.00 H new ATOM 329 N HIS A 22 -1.765 0.021 -7.387 1.00 0.00 N ATOM 330 CA HIS A 22 -2.748 -0.395 -8.352 1.00 0.00 C ATOM 331 C HIS A 22 -4.042 0.052 -7.905 1.00 0.00 C ATOM 332 O HIS A 22 -4.727 0.555 -8.619 1.00 0.00 O ATOM 333 CB HIS A 22 -2.715 -1.867 -8.441 1.00 0.00 C ATOM 334 CG HIS A 22 -3.589 -2.524 -9.458 1.00 0.00 C ATOM 335 ND1 HIS A 22 -4.889 -2.869 -9.408 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.115 -2.981 -10.665 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.177 -3.526 -10.571 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.086 -3.579 -11.311 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.318 -0.755 -6.898 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.542 0.030 -9.334 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.686 -2.167 -8.640 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -2.981 -2.267 -7.463 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.538 -2.676 -8.645 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.103 -2.866 -11.024 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.140 -3.935 -10.840 1.00 0.00 H new ATOM 347 N ALA A 23 -4.306 -0.106 -6.692 1.00 0.00 N ATOM 348 CA ALA A 23 -5.546 0.280 -6.098 1.00 0.00 C ATOM 349 C ALA A 23 -5.735 1.780 -6.207 1.00 0.00 C ATOM 350 O ALA A 23 -6.830 2.284 -6.400 1.00 0.00 O ATOM 351 CB ALA A 23 -5.489 -0.178 -4.669 1.00 0.00 C ATOM 0 H ALA A 23 -3.651 -0.525 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.399 -0.172 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.416 0.092 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.361 -1.260 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.649 0.301 -4.167 1.00 0.00 H new ATOM 357 N ALA A 24 -4.665 2.441 -6.139 1.00 0.00 N ATOM 358 CA ALA A 24 -4.612 3.839 -6.247 1.00 0.00 C ATOM 359 C ALA A 24 -4.825 4.269 -7.664 1.00 0.00 C ATOM 360 O ALA A 24 -5.627 5.146 -7.969 1.00 0.00 O ATOM 361 CB ALA A 24 -3.244 4.208 -5.855 1.00 0.00 C ATOM 0 H ALA A 24 -3.752 2.008 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.379 4.307 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.128 5.290 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.057 3.879 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.531 3.729 -6.526 1.00 0.00 H new ATOM 367 N GLN A 25 -4.094 3.623 -8.506 1.00 0.00 N ATOM 368 CA GLN A 25 -3.992 3.951 -9.876 1.00 0.00 C ATOM 369 C GLN A 25 -5.153 3.375 -10.673 1.00 0.00 C ATOM 370 O GLN A 25 -5.552 3.915 -11.703 1.00 0.00 O ATOM 371 CB GLN A 25 -2.700 3.370 -10.382 1.00 0.00 C ATOM 372 CG GLN A 25 -2.295 3.817 -11.719 1.00 0.00 C ATOM 373 CD GLN A 25 -1.407 2.800 -12.468 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.466 2.728 -13.696 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.537 2.052 -11.782 1.00 0.00 N ATOM 0 H GLN A 25 -3.528 2.817 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.018 5.034 -9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.907 3.620 -9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.788 2.284 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.187 4.014 -12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.757 4.761 -11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.497 2.120 -10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.087 1.413 -12.276 1.00 0.00 H new ATOM 384 N CYS A 26 -5.690 2.316 -10.179 1.00 0.00 N ATOM 385 CA CYS A 26 -6.811 1.694 -10.739 1.00 0.00 C ATOM 386 C CYS A 26 -7.952 2.497 -10.225 1.00 0.00 C ATOM 387 O CYS A 26 -8.052 2.673 -9.019 1.00 0.00 O ATOM 388 CB CYS A 26 -6.935 0.215 -10.210 1.00 0.00 C ATOM 389 SG CYS A 26 -8.367 -0.714 -10.803 1.00 0.00 S ATOM 0 H CYS A 26 -5.339 1.851 -9.342 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.766 1.648 -11.827 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.032 -0.328 -10.490 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.967 0.240 -9.121 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.122 -1.988 -10.722 1.00 0.00 H new ATOM 395 N ARG A 27 -8.821 2.981 -11.039 1.00 0.00 N ATOM 396 CA ARG A 27 -9.860 3.741 -10.475 1.00 0.00 C ATOM 397 C ARG A 27 -11.143 3.346 -11.071 1.00 0.00 C ATOM 398 O ARG A 27 -11.641 3.837 -12.069 1.00 0.00 O ATOM 399 CB ARG A 27 -9.523 5.265 -10.408 1.00 0.00 C ATOM 400 CG ARG A 27 -8.913 5.874 -11.674 1.00 0.00 C ATOM 401 CD ARG A 27 -9.960 6.191 -12.694 1.00 0.00 C ATOM 402 NE ARG A 27 -10.816 7.289 -12.236 1.00 0.00 N ATOM 403 CZ ARG A 27 -12.141 7.339 -12.347 1.00 0.00 C ATOM 404 NH1 ARG A 27 -12.825 6.258 -12.701 1.00 0.00 N ATOM 405 NH2 ARG A 27 -12.778 8.450 -12.031 1.00 0.00 N ATOM 0 H ARG A 27 -8.832 2.869 -12.053 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.973 3.511 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.437 5.809 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.832 5.428 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.370 6.783 -11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.189 5.180 -12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.485 6.463 -13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.567 5.306 -12.886 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.356 8.084 -11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.335 5.383 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.841 6.302 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.255 9.263 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.794 8.497 -12.113 1.00 0.00 H new ATOM 419 N ASN A 28 -11.567 2.330 -10.464 1.00 0.00 N ATOM 420 CA ASN A 28 -12.764 1.666 -10.677 1.00 0.00 C ATOM 421 C ASN A 28 -13.165 1.188 -9.294 1.00 0.00 C ATOM 422 O ASN A 28 -12.455 0.333 -8.753 1.00 0.00 O ATOM 423 CB ASN A 28 -12.379 0.502 -11.518 1.00 0.00 C ATOM 424 CG ASN A 28 -13.488 -0.229 -12.144 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.631 -0.196 -11.678 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.159 -0.966 -13.156 1.00 0.00 N ATOM 0 H ASN A 28 -11.020 1.895 -9.721 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.564 2.242 -11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.709 0.851 -12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.811 -0.195 -10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.859 -1.556 -13.606 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.200 -0.957 -13.503 1.00 0.00 H new ATOM 433 N ALA A 29 -14.181 1.708 -8.670 1.00 0.00 N ATOM 434 CA ALA A 29 -14.478 1.256 -7.306 1.00 0.00 C ATOM 435 C ALA A 29 -15.139 -0.114 -7.301 1.00 0.00 C ATOM 436 O ALA A 29 -15.252 -0.768 -6.261 1.00 0.00 O ATOM 437 CB ALA A 29 -15.292 2.275 -6.542 1.00 0.00 C ATOM 0 H ALA A 29 -14.807 2.419 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.525 1.155 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.491 1.903 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.737 3.211 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.236 2.447 -7.058 1.00 0.00 H new ATOM 443 N ASN A 30 -15.540 -0.541 -8.469 1.00 0.00 N ATOM 444 CA ASN A 30 -16.168 -1.811 -8.686 1.00 0.00 C ATOM 445 C ASN A 30 -15.407 -2.568 -9.713 1.00 0.00 C ATOM 446 O ASN A 30 -15.983 -3.240 -10.565 1.00 0.00 O ATOM 447 CB ASN A 30 -17.603 -1.610 -9.126 1.00 0.00 C ATOM 448 CG ASN A 30 -18.511 -1.132 -8.004 1.00 0.00 C ATOM 449 OD1 ASN A 30 -19.098 -1.950 -7.289 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.642 0.166 -7.823 1.00 0.00 N ATOM 0 H ASN A 30 -15.433 0.007 -9.323 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.171 -2.381 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.629 -0.885 -9.940 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.990 -2.549 -9.523 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.241 0.519 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.145 0.818 -8.429 1.00 0.00 H new ATOM 457 N CYS A 31 -14.095 -2.444 -9.654 1.00 0.00 N ATOM 458 CA CYS A 31 -13.257 -3.379 -10.351 1.00 0.00 C ATOM 459 C CYS A 31 -13.549 -4.597 -9.653 1.00 0.00 C ATOM 460 O CYS A 31 -13.558 -4.538 -8.394 1.00 0.00 O ATOM 461 CB CYS A 31 -11.766 -3.111 -10.058 1.00 0.00 C ATOM 462 SG CYS A 31 -10.630 -4.302 -10.782 1.00 0.00 S ATOM 0 H CYS A 31 -13.600 -1.716 -9.138 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.423 -3.356 -11.428 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.511 -2.117 -10.425 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.619 -3.099 -8.978 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.409 -3.979 -10.475 1.00 0.00 H new ATOM 468 N SER A 32 -13.769 -5.723 -10.280 1.00 0.00 N ATOM 469 CA SER A 32 -13.898 -6.660 -9.348 1.00 0.00 C ATOM 470 C SER A 32 -12.648 -7.417 -9.439 1.00 0.00 C ATOM 471 O SER A 32 -12.511 -8.421 -10.151 1.00 0.00 O ATOM 472 CB SER A 32 -15.085 -7.582 -9.716 1.00 0.00 C ATOM 473 OG SER A 32 -15.332 -8.556 -8.705 1.00 0.00 O ATOM 0 H SER A 32 -13.844 -5.943 -11.273 1.00 0.00 H new ATOM 0 HA SER A 32 -14.081 -6.255 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.981 -6.979 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.876 -8.084 -10.661 1.00 0.00 H new ATOM 0 HG SER A 32 -16.089 -9.119 -8.971 1.00 0.00 H new ATOM 479 N LEU A 33 -11.697 -6.851 -8.801 1.00 0.00 N ATOM 480 CA LEU A 33 -10.753 -7.327 -8.086 1.00 0.00 C ATOM 481 C LEU A 33 -11.044 -6.760 -6.699 1.00 0.00 C ATOM 482 O LEU A 33 -10.672 -5.652 -6.456 1.00 0.00 O ATOM 483 CB LEU A 33 -9.437 -6.973 -8.694 1.00 0.00 C ATOM 484 CG LEU A 33 -8.285 -7.349 -7.902 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.508 -8.597 -7.188 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.122 -7.450 -8.725 1.00 0.00 C ATOM 0 H LEU A 33 -11.625 -5.834 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.699 -8.414 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.362 -7.452 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.408 -5.897 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.127 -6.566 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.621 -8.846 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.362 -8.486 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.708 -9.395 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.266 -7.733 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.285 -8.206 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.927 -6.488 -9.198 1.00 0.00 H new ATOM 498 N PRO A 34 -11.857 -7.356 -5.906 1.00 0.00 N ATOM 499 CA PRO A 34 -12.095 -6.920 -4.509 1.00 0.00 C ATOM 500 C PRO A 34 -10.894 -6.873 -3.655 1.00 0.00 C ATOM 501 O PRO A 34 -10.913 -6.232 -2.610 1.00 0.00 O ATOM 502 CB PRO A 34 -13.156 -7.850 -4.034 1.00 0.00 C ATOM 503 CG PRO A 34 -13.896 -8.036 -5.310 1.00 0.00 C ATOM 504 CD PRO A 34 -12.803 -8.320 -6.302 1.00 0.00 C ATOM 0 HA PRO A 34 -12.404 -5.876 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.752 -8.784 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.775 -7.416 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.607 -8.860 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.464 -7.145 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.420 -9.337 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.130 -8.184 -7.333 1.00 0.00 H new ATOM 512 N SER A 35 -9.859 -7.516 -4.041 1.00 0.00 N ATOM 513 CA SER A 35 -8.674 -7.236 -3.384 1.00 0.00 C ATOM 514 C SER A 35 -8.041 -5.912 -3.921 1.00 0.00 C ATOM 515 O SER A 35 -7.368 -5.200 -3.154 1.00 0.00 O ATOM 516 CB SER A 35 -7.769 -8.453 -3.267 1.00 0.00 C ATOM 517 OG SER A 35 -7.355 -8.974 -4.506 1.00 0.00 O ATOM 0 H SER A 35 -9.819 -8.214 -4.784 1.00 0.00 H new ATOM 0 HA SER A 35 -8.877 -7.017 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.888 -8.184 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.293 -9.232 -2.713 1.00 0.00 H new ATOM 0 HG SER A 35 -6.777 -9.751 -4.357 1.00 0.00 H new ATOM 523 N CYS A 36 -8.368 -5.496 -5.227 1.00 0.00 N ATOM 524 CA CYS A 36 -7.978 -4.196 -5.657 1.00 0.00 C ATOM 525 C CYS A 36 -8.788 -3.257 -4.812 1.00 0.00 C ATOM 526 O CYS A 36 -8.255 -2.377 -4.178 1.00 0.00 O ATOM 527 CB CYS A 36 -8.269 -3.865 -7.163 1.00 0.00 C ATOM 528 SG CYS A 36 -7.762 -2.224 -7.693 1.00 0.00 S ATOM 0 H CYS A 36 -8.873 -6.055 -5.914 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.896 -4.113 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.764 -4.603 -7.786 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.338 -3.974 -7.343 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.341 -1.934 -8.820 1.00 0.00 H new ATOM 534 N GLN A 37 -10.124 -3.565 -4.778 1.00 0.00 N ATOM 535 CA GLN A 37 -11.165 -2.847 -4.030 1.00 0.00 C ATOM 536 C GLN A 37 -10.763 -2.557 -2.739 1.00 0.00 C ATOM 537 O GLN A 37 -10.833 -1.438 -2.339 1.00 0.00 O ATOM 538 CB GLN A 37 -12.514 -3.545 -3.956 1.00 0.00 C ATOM 539 CG GLN A 37 -13.222 -3.799 -5.303 1.00 0.00 C ATOM 540 CD GLN A 37 -14.618 -4.366 -5.113 1.00 0.00 C ATOM 541 OE1 GLN A 37 -14.905 -5.043 -4.126 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.474 -4.124 -6.058 1.00 0.00 N ATOM 0 H GLN A 37 -10.502 -4.356 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.303 -1.937 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.377 -4.503 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.175 -2.948 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.283 -2.866 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.628 -4.491 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.200 -3.558 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.420 -4.499 -5.997 1.00 0.00 H new ATOM 551 N LYS A 38 -10.355 -3.514 -2.083 1.00 0.00 N ATOM 552 CA LYS A 38 -9.988 -3.349 -0.827 1.00 0.00 C ATOM 553 C LYS A 38 -8.827 -2.383 -0.631 1.00 0.00 C ATOM 554 O LYS A 38 -8.924 -1.498 0.134 1.00 0.00 O ATOM 555 CB LYS A 38 -9.640 -4.592 -0.284 1.00 0.00 C ATOM 556 CG LYS A 38 -8.825 -4.377 0.911 1.00 0.00 C ATOM 557 CD LYS A 38 -9.108 -5.258 1.932 1.00 0.00 C ATOM 558 CE LYS A 38 -8.866 -6.654 1.570 1.00 0.00 C ATOM 559 NZ LYS A 38 -8.851 -7.471 2.769 1.00 0.00 N ATOM 0 H LYS A 38 -10.270 -4.467 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.844 -2.907 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.537 -5.157 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.087 -5.181 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.772 -4.467 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.977 -3.358 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.501 -5.004 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.151 -5.141 2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.642 -7.004 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.916 -6.745 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.132 -8.216 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.625 -6.876 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.785 -7.908 2.903 1.00 0.00 H new ATOM 573 N MET A 39 -7.740 -2.637 -1.303 1.00 0.00 N ATOM 574 CA MET A 39 -6.502 -1.864 -1.128 1.00 0.00 C ATOM 575 C MET A 39 -6.760 -0.422 -1.392 1.00 0.00 C ATOM 576 O MET A 39 -6.256 0.475 -0.758 1.00 0.00 O ATOM 577 CB MET A 39 -5.486 -2.322 -2.124 1.00 0.00 C ATOM 578 CG MET A 39 -4.683 -3.480 -1.741 1.00 0.00 C ATOM 579 SD MET A 39 -3.133 -3.123 -0.875 1.00 0.00 S ATOM 580 CE MET A 39 -3.695 -2.193 0.488 1.00 0.00 C ATOM 0 H MET A 39 -7.668 -3.384 -1.994 1.00 0.00 H new ATOM 0 HA MET A 39 -6.146 -2.009 -0.108 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.001 -2.555 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.812 -1.491 -2.332 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.291 -4.124 -1.105 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.450 -4.049 -2.641 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.855 -1.966 1.145 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.141 -1.263 0.135 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.441 -2.767 1.038 1.00 0.00 H new ATOM 590 N LYS A 40 -7.513 -0.291 -2.361 1.00 0.00 N ATOM 591 CA LYS A 40 -8.053 0.889 -2.907 1.00 0.00 C ATOM 592 C LYS A 40 -8.842 1.588 -1.828 1.00 0.00 C ATOM 593 O LYS A 40 -8.561 2.656 -1.481 1.00 0.00 O ATOM 594 CB LYS A 40 -8.997 0.377 -3.852 1.00 0.00 C ATOM 595 CG LYS A 40 -9.105 1.018 -5.083 1.00 0.00 C ATOM 596 CD LYS A 40 -10.042 0.206 -5.905 1.00 0.00 C ATOM 597 CE LYS A 40 -9.740 0.328 -7.311 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.099 1.626 -7.783 1.00 0.00 N ATOM 0 H LYS A 40 -7.825 -1.110 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.309 1.571 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.747 -0.667 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.980 0.390 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.479 2.034 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.131 1.094 -5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.980 -0.840 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.066 0.530 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.677 0.154 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.280 -0.433 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.390 1.954 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.031 1.583 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.138 2.288 -6.982 1.00 0.00 H new ATOM 612 N ARG A 41 -9.749 0.820 -1.220 1.00 0.00 N ATOM 613 CA ARG A 41 -10.665 1.200 -0.090 1.00 0.00 C ATOM 614 C ARG A 41 -9.916 1.384 1.113 1.00 0.00 C ATOM 615 O ARG A 41 -10.432 1.802 2.081 1.00 0.00 O ATOM 616 CB ARG A 41 -11.574 0.100 0.195 1.00 0.00 C ATOM 617 CG ARG A 41 -12.786 0.021 -0.665 1.00 0.00 C ATOM 618 CD ARG A 41 -13.623 -1.074 -0.157 1.00 0.00 C ATOM 619 NE ARG A 41 -14.635 -1.526 -1.119 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.179 -2.758 -1.132 1.00 0.00 C ATOM 621 NH1 ARG A 41 -14.836 -3.644 -0.200 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.066 -3.089 -2.068 1.00 0.00 N ATOM 0 H ARG A 41 -9.889 -0.149 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.190 2.108 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.023 -0.836 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.894 0.178 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.333 0.963 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.507 -0.160 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.985 -1.916 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.120 -0.748 0.757 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.948 -0.861 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.162 -3.389 0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.247 -4.578 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.336 -2.409 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.476 -4.023 -2.075 1.00 0.00 H new ATOM 636 N VAL A 42 -8.726 0.940 1.063 1.00 0.00 N ATOM 637 CA VAL A 42 -7.828 1.022 2.062 1.00 0.00 C ATOM 638 C VAL A 42 -7.058 2.343 1.955 1.00 0.00 C ATOM 639 O VAL A 42 -6.949 3.078 2.927 1.00 0.00 O ATOM 640 CB VAL A 42 -7.036 -0.291 2.229 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.625 -0.059 2.430 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.623 -0.990 3.411 1.00 0.00 C ATOM 0 H VAL A 42 -8.354 0.475 0.235 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.311 1.092 3.037 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.114 -0.891 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.112 -1.014 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.218 0.473 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.479 0.539 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.097 -1.931 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.523 -0.359 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.678 -1.192 3.227 1.00 0.00 H new ATOM 652 N VAL A 43 -6.604 2.669 0.741 1.00 0.00 N ATOM 653 CA VAL A 43 -6.171 3.980 0.371 1.00 0.00 C ATOM 654 C VAL A 43 -7.248 4.925 0.731 1.00 0.00 C ATOM 655 O VAL A 43 -7.062 5.889 1.441 1.00 0.00 O ATOM 656 CB VAL A 43 -5.955 4.018 -1.164 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.834 5.416 -1.654 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.746 3.115 -1.628 1.00 0.00 C ATOM 0 H VAL A 43 -6.534 1.993 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.243 4.243 0.878 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.844 3.586 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.683 5.411 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.746 5.965 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.984 5.899 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.639 3.178 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.829 3.462 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.934 2.080 -1.342 1.00 0.00 H new ATOM 668 N GLN A 44 -8.367 4.569 0.329 1.00 0.00 N ATOM 669 CA GLN A 44 -9.500 5.328 0.498 1.00 0.00 C ATOM 670 C GLN A 44 -9.970 5.297 1.968 1.00 0.00 C ATOM 671 O GLN A 44 -10.593 6.262 2.446 1.00 0.00 O ATOM 672 CB GLN A 44 -10.518 4.857 -0.519 1.00 0.00 C ATOM 673 CG GLN A 44 -9.981 5.088 -1.930 1.00 0.00 C ATOM 674 CD GLN A 44 -9.972 6.541 -2.360 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.926 7.311 -1.907 1.00 0.00 O flip ATOM 676 NE2 GLN A 44 -9.114 6.968 -3.115 1.00 0.00 N flip ATOM 0 H GLN A 44 -8.532 3.687 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.318 6.386 0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.732 3.799 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.457 5.395 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.965 4.697 -1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.584 4.516 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.379 6.348 -3.455 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.131 7.945 -3.406 1.00 0.00 H new ATOM 685 N HIS A 45 -9.570 4.226 2.708 1.00 0.00 N ATOM 686 CA HIS A 45 -9.950 4.083 4.118 1.00 0.00 C ATOM 687 C HIS A 45 -9.211 5.017 4.887 1.00 0.00 C ATOM 688 O HIS A 45 -9.779 5.779 5.612 1.00 0.00 O ATOM 689 CB HIS A 45 -9.760 2.668 4.716 1.00 0.00 C ATOM 690 CG HIS A 45 -10.387 2.448 6.074 1.00 0.00 C ATOM 691 ND1 HIS A 45 -11.609 1.839 6.235 1.00 0.00 N ATOM 692 CD2 HIS A 45 -9.946 2.720 7.323 1.00 0.00 C ATOM 693 CE1 HIS A 45 -11.888 1.748 7.516 1.00 0.00 C ATOM 694 NE2 HIS A 45 -10.898 2.274 8.197 1.00 0.00 N ATOM 0 H HIS A 45 -8.993 3.466 2.347 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.023 4.271 4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.176 1.939 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.692 2.464 4.790 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.014 3.201 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -12.782 1.313 7.937 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.847 2.340 9.214 1.00 0.00 H new ATOM 703 N THR A 46 -7.939 4.943 4.719 1.00 0.00 N ATOM 704 CA THR A 46 -7.037 5.790 5.386 1.00 0.00 C ATOM 705 C THR A 46 -7.455 7.226 5.193 1.00 0.00 C ATOM 706 O THR A 46 -7.772 7.891 6.129 1.00 0.00 O ATOM 707 CB THR A 46 -5.518 5.515 4.958 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.617 6.075 5.862 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.096 6.117 3.683 1.00 0.00 C ATOM 0 H THR A 46 -7.492 4.271 4.095 1.00 0.00 H new ATOM 0 HA THR A 46 -7.073 5.572 6.453 1.00 0.00 H new ATOM 0 HB THR A 46 -5.501 4.427 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.741 6.173 5.433 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.052 5.868 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.716 5.729 2.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.207 7.200 3.738 1.00 0.00 H new ATOM 717 N LYS A 47 -7.553 7.651 3.980 1.00 0.00 N ATOM 718 CA LYS A 47 -7.725 9.031 3.644 1.00 0.00 C ATOM 719 C LYS A 47 -8.993 9.629 4.159 1.00 0.00 C ATOM 720 O LYS A 47 -9.004 10.788 4.569 1.00 0.00 O ATOM 721 CB LYS A 47 -7.690 9.123 2.222 1.00 0.00 C ATOM 722 CG LYS A 47 -6.299 8.733 1.642 1.00 0.00 C ATOM 723 CD LYS A 47 -6.305 8.552 0.128 1.00 0.00 C ATOM 724 CE LYS A 47 -7.045 9.650 -0.474 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.940 9.729 -1.946 1.00 0.00 N ATOM 0 H LYS A 47 -7.515 7.034 3.169 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.925 9.599 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.454 8.471 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.936 10.141 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.574 9.503 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.965 7.807 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.284 8.531 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.763 7.599 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.096 9.554 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.690 10.588 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.496 10.538 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.944 9.853 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.307 8.852 -2.368 1.00 0.00 H new ATOM 739 N GLY A 48 -10.058 8.865 4.150 1.00 0.00 N ATOM 740 CA GLY A 48 -11.266 9.380 4.713 1.00 0.00 C ATOM 741 C GLY A 48 -11.237 9.252 6.221 1.00 0.00 C ATOM 742 O GLY A 48 -12.042 9.873 6.930 1.00 0.00 O ATOM 0 H GLY A 48 -10.108 7.919 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.390 10.426 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.123 8.839 4.311 1.00 0.00 H new ATOM 746 N CYS A 49 -10.289 8.481 6.706 1.00 0.00 N ATOM 747 CA CYS A 49 -10.170 8.199 8.121 1.00 0.00 C ATOM 748 C CYS A 49 -9.164 9.090 8.813 1.00 0.00 C ATOM 749 O CYS A 49 -8.076 8.686 8.947 1.00 0.00 O ATOM 750 CB CYS A 49 -9.895 6.670 8.431 1.00 0.00 C ATOM 751 SG CYS A 49 -11.357 5.639 8.202 1.00 0.00 S ATOM 0 H CYS A 49 -9.577 8.031 6.130 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.149 8.433 8.540 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.096 6.310 7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.542 6.569 9.457 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.380 5.183 6.985 1.00 0.00 H new ATOM 757 N LYS A 50 -9.571 10.285 9.288 1.00 0.00 N ATOM 758 CA LYS A 50 -8.676 11.262 9.886 1.00 0.00 C ATOM 759 C LYS A 50 -7.994 10.727 11.133 1.00 0.00 C ATOM 760 O LYS A 50 -7.039 11.303 11.646 1.00 0.00 O ATOM 761 CB LYS A 50 -9.428 12.573 10.221 1.00 0.00 C ATOM 762 CG LYS A 50 -10.062 13.233 8.982 1.00 0.00 C ATOM 763 CD LYS A 50 -10.806 14.549 9.284 1.00 0.00 C ATOM 764 CE LYS A 50 -9.934 15.718 9.768 1.00 0.00 C ATOM 765 NZ LYS A 50 -8.924 16.078 8.746 1.00 0.00 N ATOM 0 H LYS A 50 -10.544 10.590 9.261 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.904 11.472 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.208 12.362 10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.735 13.275 10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.281 13.430 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.759 12.530 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.331 14.862 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.565 14.349 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.563 16.582 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.436 15.445 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.414 16.932 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.250 15.294 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.398 16.261 7.839 1.00 0.00 H new ATOM 779 N ARG A 51 -8.460 9.529 11.601 1.00 0.00 N ATOM 780 CA ARG A 51 -8.007 8.772 12.642 1.00 0.00 C ATOM 781 C ARG A 51 -6.769 7.998 12.273 1.00 0.00 C ATOM 782 O ARG A 51 -6.191 7.329 13.143 1.00 0.00 O ATOM 783 CB ARG A 51 -9.074 7.976 13.395 1.00 0.00 C ATOM 784 CG ARG A 51 -10.194 8.830 13.975 1.00 0.00 C ATOM 785 CD ARG A 51 -9.763 9.664 15.176 1.00 0.00 C ATOM 786 NE ARG A 51 -10.723 10.740 15.441 1.00 0.00 N ATOM 787 CZ ARG A 51 -11.039 11.224 16.645 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.711 10.558 17.751 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.737 12.343 16.729 1.00 0.00 N ATOM 0 H ARG A 51 -9.259 9.083 11.151 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.699 9.484 13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.507 7.239 12.719 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.596 7.424 14.204 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.573 9.494 13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.019 8.182 14.270 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.676 9.025 16.055 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.776 10.089 14.993 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.191 11.155 14.635 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.214 9.670 17.683 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.957 10.936 18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.028 12.827 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.984 12.722 17.643 1.00 0.00 H new ATOM 803 N LYS A 52 -6.368 8.117 10.975 1.00 0.00 N ATOM 804 CA LYS A 52 -5.298 7.385 10.413 1.00 0.00 C ATOM 805 C LYS A 52 -4.130 7.312 11.327 1.00 0.00 C ATOM 806 O LYS A 52 -3.823 6.250 11.897 1.00 0.00 O ATOM 807 CB LYS A 52 -4.733 8.145 9.191 1.00 0.00 C ATOM 808 CG LYS A 52 -5.498 8.245 7.968 1.00 0.00 C ATOM 809 CD LYS A 52 -4.681 9.073 6.996 1.00 0.00 C ATOM 810 CE LYS A 52 -5.210 9.093 5.731 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.416 9.899 4.832 1.00 0.00 N ATOM 0 H LYS A 52 -6.818 8.749 10.313 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.703 6.399 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.515 9.162 9.518 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.780 7.681 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.698 7.255 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.464 8.714 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.608 10.094 7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.667 8.676 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.273 8.075 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.227 9.484 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.722 9.731 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.540 10.905 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.413 9.642 4.930 1.00 0.00 H new ATOM 825 N THR A 53 -3.466 8.404 11.467 1.00 0.00 N ATOM 826 CA THR A 53 -2.532 8.544 12.367 1.00 0.00 C ATOM 827 C THR A 53 -3.016 9.154 13.681 1.00 0.00 C ATOM 828 O THR A 53 -2.420 8.909 14.723 1.00 0.00 O ATOM 829 CB THR A 53 -1.224 9.032 11.756 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.482 10.214 10.970 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.682 7.898 10.831 1.00 0.00 C ATOM 0 H THR A 53 -3.617 9.233 10.892 1.00 0.00 H new ATOM 0 HA THR A 53 -2.251 7.558 12.738 1.00 0.00 H new ATOM 0 HB THR A 53 -0.497 9.272 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.644 10.534 10.576 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.256 8.216 10.377 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.512 6.997 11.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.411 7.687 10.048 1.00 0.00 H new ATOM 839 N ASN A 54 -4.153 9.957 13.639 1.00 0.00 N ATOM 840 CA ASN A 54 -4.560 10.675 14.844 1.00 0.00 C ATOM 841 C ASN A 54 -4.967 9.720 15.958 1.00 0.00 C ATOM 842 O ASN A 54 -4.629 9.927 17.116 1.00 0.00 O ATOM 843 CB ASN A 54 -5.664 11.675 14.533 1.00 0.00 C ATOM 844 CG ASN A 54 -6.091 12.520 15.717 1.00 0.00 C ATOM 845 OD1 ASN A 54 -5.301 12.817 16.609 1.00 0.00 O ATOM 846 ND2 ASN A 54 -7.330 12.934 15.718 1.00 0.00 N ATOM 0 H ASN A 54 -4.747 10.095 12.821 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.696 11.233 15.204 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.326 12.335 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.532 11.135 14.155 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.670 13.524 16.477 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.958 12.667 14.960 1.00 0.00 H new ATOM 853 N GLY A 55 -5.641 8.653 15.603 1.00 0.00 N ATOM 854 CA GLY A 55 -6.049 7.705 16.598 1.00 0.00 C ATOM 855 C GLY A 55 -5.189 6.461 16.589 1.00 0.00 C ATOM 856 O GLY A 55 -5.192 5.687 17.560 1.00 0.00 O ATOM 0 H GLY A 55 -5.913 8.426 14.647 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.001 8.171 17.582 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.089 7.427 16.427 1.00 0.00 H new ATOM 860 N GLY A 56 -4.411 6.271 15.526 1.00 0.00 N ATOM 861 CA GLY A 56 -3.683 5.079 15.386 1.00 0.00 C ATOM 862 C GLY A 56 -4.546 4.027 14.899 1.00 0.00 C ATOM 863 O GLY A 56 -4.677 2.993 15.537 1.00 0.00 O ATOM 0 H GLY A 56 -4.289 6.943 14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.853 5.229 14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.252 4.792 16.345 1.00 0.00 H new ATOM 867 N CYS A 57 -5.188 4.270 13.800 1.00 0.00 N ATOM 868 CA CYS A 57 -6.033 3.236 13.280 1.00 0.00 C ATOM 869 C CYS A 57 -5.298 2.597 12.111 1.00 0.00 C ATOM 870 O CYS A 57 -5.628 2.927 10.948 1.00 0.00 O ATOM 871 CB CYS A 57 -7.415 3.799 12.790 1.00 0.00 C ATOM 872 SG CYS A 57 -8.752 2.587 12.702 1.00 0.00 S ATOM 0 H CYS A 57 -5.150 5.136 13.262 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.245 2.512 14.067 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.719 4.604 13.459 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.280 4.240 11.802 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.839 3.169 12.288 1.00 0.00 H new ATOM 878 N PRO A 58 -4.198 1.778 12.306 1.00 0.00 N ATOM 879 CA PRO A 58 -3.461 1.571 11.106 1.00 0.00 C ATOM 880 C PRO A 58 -3.741 0.449 10.143 1.00 0.00 C ATOM 881 O PRO A 58 -2.824 -0.355 9.847 1.00 0.00 O ATOM 882 CB PRO A 58 -2.246 0.985 11.817 1.00 0.00 C ATOM 883 CG PRO A 58 -2.908 0.053 12.721 1.00 0.00 C ATOM 884 CD PRO A 58 -3.875 0.886 13.404 1.00 0.00 C ATOM 0 HA PRO A 58 -3.546 2.470 10.495 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.562 0.486 11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.669 1.742 12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.389 -0.761 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.204 -0.401 13.418 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.738 0.326 13.763 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.453 1.407 14.263 1.00 0.00 H new ATOM 892 N ILE A 59 -4.554 0.808 9.282 1.00 0.00 N ATOM 893 CA ILE A 59 -4.429 0.524 8.031 1.00 0.00 C ATOM 894 C ILE A 59 -3.675 1.641 7.537 1.00 0.00 C ATOM 895 O ILE A 59 -2.694 1.501 7.046 1.00 0.00 O ATOM 896 CB ILE A 59 -5.723 0.164 7.302 1.00 0.00 C ATOM 897 CG1 ILE A 59 -5.566 0.210 5.852 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.984 0.907 7.707 1.00 0.00 C ATOM 899 CD1 ILE A 59 -5.883 1.579 5.261 1.00 0.00 C ATOM 0 H ILE A 59 -5.387 1.357 9.496 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.912 -0.418 7.847 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.891 -0.859 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.543 -0.063 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.219 -0.536 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.824 0.551 7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.188 0.728 8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.846 1.975 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.748 1.549 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.915 1.844 5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.213 2.324 5.690 1.00 0.00 H new ATOM 911 N CYS A 60 -4.207 2.777 7.847 1.00 0.00 N ATOM 912 CA CYS A 60 -3.694 4.070 7.607 1.00 0.00 C ATOM 913 C CYS A 60 -2.227 4.231 7.877 1.00 0.00 C ATOM 914 O CYS A 60 -1.540 4.469 6.983 1.00 0.00 O ATOM 915 CB CYS A 60 -4.432 4.966 8.545 1.00 0.00 C ATOM 916 SG CYS A 60 -6.232 4.861 8.420 1.00 0.00 S ATOM 0 H CYS A 60 -5.107 2.817 8.325 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.824 4.295 6.548 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.137 4.725 9.566 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.127 5.996 8.360 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.688 4.089 9.361 1.00 0.00 H new ATOM 922 N LYS A 61 -1.789 4.202 9.131 1.00 0.00 N ATOM 923 CA LYS A 61 -0.451 4.004 9.470 1.00 0.00 C ATOM 924 C LYS A 61 0.200 2.956 8.687 1.00 0.00 C ATOM 925 O LYS A 61 1.187 3.254 8.092 1.00 0.00 O ATOM 926 CB LYS A 61 -0.320 3.594 10.851 1.00 0.00 C ATOM 927 CG LYS A 61 0.787 4.233 11.524 1.00 0.00 C ATOM 928 CD LYS A 61 0.823 3.781 12.953 1.00 0.00 C ATOM 929 CE LYS A 61 -0.501 3.976 13.780 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.224 3.867 15.236 1.00 0.00 N ATOM 0 H LYS A 61 -2.401 4.323 9.938 1.00 0.00 H new ATOM 0 HA LYS A 61 0.023 4.966 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.244 3.824 11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.189 2.513 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.724 3.982 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.681 5.317 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.084 2.723 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.625 4.316 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.935 4.951 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.235 3.226 13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.108 3.998 15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.170 2.928 15.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.460 4.599 15.515 1.00 0.00 H new ATOM 944 N GLN A 62 -0.318 1.689 8.655 1.00 0.00 N ATOM 945 CA GLN A 62 0.530 0.750 7.988 1.00 0.00 C ATOM 946 C GLN A 62 0.566 0.884 6.469 1.00 0.00 C ATOM 947 O GLN A 62 1.526 0.574 5.852 1.00 0.00 O ATOM 948 CB GLN A 62 0.474 -0.615 8.592 1.00 0.00 C ATOM 949 CG GLN A 62 0.767 -0.493 10.122 1.00 0.00 C ATOM 950 CD GLN A 62 0.627 -1.739 11.020 1.00 0.00 C ATOM 951 OE1 GLN A 62 1.053 -2.917 10.623 1.00 0.00 O flip ATOM 952 NE2 GLN A 62 0.229 -1.592 12.175 1.00 0.00 N flip ATOM 0 H GLN A 62 -1.203 1.358 9.038 1.00 0.00 H new ATOM 0 HA GLN A 62 1.560 1.038 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.507 -1.061 8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.205 -1.269 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.787 -0.123 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.105 0.275 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.103 -0.680 12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.231 -2.383 12.820 1.00 0.00 H new ATOM 961 N LEU A 63 -0.468 1.393 5.947 1.00 0.00 N ATOM 962 CA LEU A 63 -0.600 1.872 4.594 1.00 0.00 C ATOM 963 C LEU A 63 0.242 3.118 4.345 1.00 0.00 C ATOM 964 O LEU A 63 0.841 3.191 3.380 1.00 0.00 O ATOM 965 CB LEU A 63 -2.039 2.123 4.308 1.00 0.00 C ATOM 966 CG LEU A 63 -2.392 3.065 3.237 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.750 2.691 1.948 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.785 2.961 3.075 1.00 0.00 C ATOM 0 H LEU A 63 -1.331 1.506 6.479 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.223 1.109 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.501 1.165 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.501 2.480 5.228 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.061 4.070 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.033 3.409 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.666 2.694 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.079 1.695 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.112 3.641 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.044 1.938 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.281 3.223 4.010 1.00 0.00 H new ATOM 980 N ILE A 64 0.208 4.115 5.201 1.00 0.00 N ATOM 981 CA ILE A 64 1.139 5.267 5.128 1.00 0.00 C ATOM 982 C ILE A 64 2.529 4.734 5.120 1.00 0.00 C ATOM 983 O ILE A 64 3.309 5.103 4.321 1.00 0.00 O ATOM 984 CB ILE A 64 0.997 6.227 6.368 1.00 0.00 C ATOM 985 CG1 ILE A 64 -0.246 7.145 6.331 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.292 6.927 6.772 1.00 0.00 C ATOM 987 CD1 ILE A 64 -0.209 8.314 7.300 1.00 0.00 C ATOM 0 H ILE A 64 -0.456 4.169 5.973 1.00 0.00 H new ATOM 0 HA ILE A 64 0.905 5.836 4.228 1.00 0.00 H new ATOM 0 HB ILE A 64 0.793 5.553 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.362 7.534 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.130 6.544 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.105 7.568 7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.043 6.181 7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.653 7.532 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.123 8.899 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.129 7.939 8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.651 8.945 7.077 1.00 0.00 H new ATOM 999 N ALA A 65 2.781 3.874 6.043 1.00 0.00 N ATOM 1000 CA ALA A 65 4.011 3.179 6.186 1.00 0.00 C ATOM 1001 C ALA A 65 4.373 2.548 4.866 1.00 0.00 C ATOM 1002 O ALA A 65 5.474 2.736 4.335 1.00 0.00 O ATOM 1003 CB ALA A 65 3.777 2.105 7.181 1.00 0.00 C ATOM 0 H ALA A 65 2.097 3.623 6.757 1.00 0.00 H new ATOM 0 HA ALA A 65 4.813 3.848 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.696 1.538 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.468 2.547 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.994 1.439 6.820 1.00 0.00 H new ATOM 1009 N LEU A 66 3.397 1.853 4.353 1.00 0.00 N ATOM 1010 CA LEU A 66 3.426 1.192 3.123 1.00 0.00 C ATOM 1011 C LEU A 66 3.646 2.156 1.907 1.00 0.00 C ATOM 1012 O LEU A 66 4.639 2.046 1.169 1.00 0.00 O ATOM 1013 CB LEU A 66 2.144 0.362 2.982 1.00 0.00 C ATOM 1014 CG LEU A 66 1.819 -0.041 1.564 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.756 -1.019 1.164 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.412 -0.552 1.266 1.00 0.00 C ATOM 0 H LEU A 66 2.506 1.739 4.836 1.00 0.00 H new ATOM 0 HA LEU A 66 4.292 0.530 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.238 -0.537 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.308 0.934 3.386 1.00 0.00 H new ATOM 0 HG LEU A 66 1.872 0.890 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.544 -1.329 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.762 -0.602 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.686 -1.882 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.332 -0.801 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.214 -1.441 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.316 0.221 1.513 1.00 0.00 H new ATOM 1028 N ALA A 67 2.705 3.057 1.713 1.00 0.00 N ATOM 1029 CA ALA A 67 2.700 4.040 0.711 1.00 0.00 C ATOM 1030 C ALA A 67 3.966 4.843 0.745 1.00 0.00 C ATOM 1031 O ALA A 67 4.624 5.033 -0.284 1.00 0.00 O ATOM 1032 CB ALA A 67 1.483 4.948 0.898 1.00 0.00 C ATOM 0 H ALA A 67 1.877 3.104 2.306 1.00 0.00 H new ATOM 0 HA ALA A 67 2.641 3.554 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.477 5.712 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.572 4.354 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.532 5.426 1.877 1.00 0.00 H new ATOM 1038 N ALA A 68 4.319 5.301 1.923 1.00 0.00 N ATOM 1039 CA ALA A 68 5.451 6.121 2.101 1.00 0.00 C ATOM 1040 C ALA A 68 6.756 5.444 1.917 1.00 0.00 C ATOM 1041 O ALA A 68 7.644 6.071 1.421 1.00 0.00 O ATOM 1042 CB ALA A 68 5.402 6.949 3.361 1.00 0.00 C ATOM 0 H ALA A 68 3.809 5.101 2.783 1.00 0.00 H new ATOM 0 HA ALA A 68 5.387 6.820 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.305 7.555 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.528 7.600 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.337 6.290 4.227 1.00 0.00 H new ATOM 1048 N TYR A 69 6.920 4.165 2.279 1.00 0.00 N ATOM 1049 CA TYR A 69 8.205 3.569 2.031 1.00 0.00 C ATOM 1050 C TYR A 69 8.341 3.329 0.556 1.00 0.00 C ATOM 1051 O TYR A 69 9.456 3.318 0.003 1.00 0.00 O ATOM 1052 CB TYR A 69 8.455 2.304 2.847 1.00 0.00 C ATOM 1053 CG TYR A 69 7.992 0.976 2.327 1.00 0.00 C ATOM 1054 CD1 TYR A 69 6.741 0.476 2.534 1.00 0.00 C ATOM 1055 CD2 TYR A 69 8.881 0.211 1.614 1.00 0.00 C ATOM 1056 CE1 TYR A 69 6.387 -0.759 2.017 1.00 0.00 C ATOM 1057 CE2 TYR A 69 8.552 -0.998 1.112 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.323 -1.482 1.301 1.00 0.00 C ATOM 1059 OH TYR A 69 7.003 -2.675 0.742 1.00 0.00 O ATOM 0 H TYR A 69 6.218 3.568 2.716 1.00 0.00 H new ATOM 0 HA TYR A 69 8.977 4.263 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.530 2.231 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.992 2.450 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.022 1.046 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.879 0.590 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.393 -1.152 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.281 -1.572 0.559 1.00 0.00 H new ATOM 0 HH TYR A 69 7.785 -3.039 0.277 1.00 0.00 H new ATOM 1069 N HIS A 70 7.177 3.144 -0.084 1.00 0.00 N ATOM 1070 CA HIS A 70 7.123 3.054 -1.542 1.00 0.00 C ATOM 1071 C HIS A 70 7.654 4.309 -2.082 1.00 0.00 C ATOM 1072 O HIS A 70 8.556 4.303 -2.856 1.00 0.00 O ATOM 1073 CB HIS A 70 5.706 2.914 -2.146 1.00 0.00 C ATOM 1074 CG HIS A 70 5.716 2.798 -3.663 1.00 0.00 C ATOM 1075 ND1 HIS A 70 4.963 3.610 -4.484 1.00 0.00 N ATOM 1076 CD2 HIS A 70 6.381 1.949 -4.493 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.162 3.264 -5.741 1.00 0.00 C ATOM 1078 NE2 HIS A 70 6.011 2.267 -5.769 1.00 0.00 N ATOM 0 H HIS A 70 6.274 3.055 0.382 1.00 0.00 H new ATOM 0 HA HIS A 70 7.684 2.156 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.222 2.034 -1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.107 3.777 -1.857 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.070 1.171 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.702 3.725 -6.603 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.344 1.800 -6.613 1.00 0.00 H new ATOM 1087 N ALA A 71 7.011 5.371 -1.671 1.00 0.00 N ATOM 1088 CA ALA A 71 7.310 6.714 -2.054 1.00 0.00 C ATOM 1089 C ALA A 71 8.738 6.977 -1.913 1.00 0.00 C ATOM 1090 O ALA A 71 9.421 7.312 -2.845 1.00 0.00 O ATOM 1091 CB ALA A 71 6.634 7.611 -1.088 1.00 0.00 C ATOM 0 H ALA A 71 6.223 5.312 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 71 6.992 6.871 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.840 8.649 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.559 7.436 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.005 7.409 -0.083 1.00 0.00 H new ATOM 1097 N LYS A 72 9.152 6.744 -0.738 1.00 0.00 N ATOM 1098 CA LYS A 72 10.446 7.029 -0.278 1.00 0.00 C ATOM 1099 C LYS A 72 11.547 6.504 -1.254 1.00 0.00 C ATOM 1100 O LYS A 72 12.506 7.217 -1.574 1.00 0.00 O ATOM 1101 CB LYS A 72 10.631 6.454 1.112 1.00 0.00 C ATOM 1102 CG LYS A 72 10.381 7.382 2.251 1.00 0.00 C ATOM 1103 CD LYS A 72 9.978 6.516 3.385 1.00 0.00 C ATOM 1104 CE LYS A 72 10.010 7.166 4.729 1.00 0.00 C ATOM 1105 NZ LYS A 72 9.154 8.358 4.822 1.00 0.00 N ATOM 0 H LYS A 72 8.559 6.322 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 72 10.559 8.112 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.967 5.596 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.651 6.079 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.275 7.956 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.598 8.100 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.968 6.151 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.633 5.645 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.696 6.443 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.037 7.446 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.182 8.731 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.498 9.084 4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.176 8.103 4.578 1.00 0.00 H new ATOM 1119 N HIS A 73 11.384 5.254 -1.714 1.00 0.00 N ATOM 1120 CA HIS A 73 12.325 4.671 -2.720 1.00 0.00 C ATOM 1121 C HIS A 73 11.830 4.814 -4.208 1.00 0.00 C ATOM 1122 O HIS A 73 12.652 4.819 -5.121 1.00 0.00 O ATOM 1123 CB HIS A 73 12.731 3.184 -2.394 1.00 0.00 C ATOM 1124 CG HIS A 73 13.868 2.632 -3.237 1.00 0.00 C ATOM 1125 ND1 HIS A 73 15.198 2.776 -2.900 1.00 0.00 N ATOM 1126 CD2 HIS A 73 13.856 1.894 -4.376 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.946 2.155 -3.789 1.00 0.00 C ATOM 1128 NE2 HIS A 73 15.157 1.614 -4.688 1.00 0.00 N ATOM 0 H HIS A 73 10.632 4.629 -1.422 1.00 0.00 H new ATOM 0 HA HIS A 73 13.225 5.279 -2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.014 3.122 -1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.857 2.547 -2.527 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.983 1.586 -4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.025 2.100 -3.780 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.466 1.070 -5.493 1.00 0.00 H new ATOM 1137 N CYS A 74 10.519 4.907 -4.458 1.00 0.00 N ATOM 1138 CA CYS A 74 10.023 5.047 -5.819 1.00 0.00 C ATOM 1139 C CYS A 74 10.035 6.540 -6.189 1.00 0.00 C ATOM 1140 O CYS A 74 9.167 7.272 -5.711 1.00 0.00 O ATOM 1141 CB CYS A 74 8.486 4.582 -5.932 1.00 0.00 C ATOM 1142 SG CYS A 74 7.924 4.297 -7.626 1.00 0.00 S ATOM 0 H CYS A 74 9.795 4.888 -3.740 1.00 0.00 H new ATOM 0 HA CYS A 74 10.653 4.439 -6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.352 3.666 -5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.853 5.342 -5.474 1.00 0.00 H new ATOM 0 HG CYS A 74 7.063 3.323 -7.640 1.00 0.00 H new ATOM 1148 N GLN A 75 10.965 7.027 -7.023 1.00 0.00 N ATOM 1149 CA GLN A 75 10.778 8.383 -7.520 1.00 0.00 C ATOM 1150 C GLN A 75 9.715 8.335 -8.597 1.00 0.00 C ATOM 1151 O GLN A 75 10.018 8.038 -9.760 1.00 0.00 O ATOM 1152 CB GLN A 75 12.067 9.064 -8.061 1.00 0.00 C ATOM 1153 CG GLN A 75 13.021 9.529 -6.979 1.00 0.00 C ATOM 1154 CD GLN A 75 12.685 10.940 -6.501 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.196 11.900 -7.069 1.00 0.00 O ATOM 1156 NE2 GLN A 75 11.846 11.111 -5.479 1.00 0.00 N ATOM 0 H GLN A 75 11.799 6.536 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 75 10.477 9.001 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.588 8.364 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.783 9.920 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.980 8.839 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.042 9.507 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.431 10.301 -5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.619 12.052 -5.157 1.00 0.00 H new ATOM 1165 N GLU A 76 8.473 8.519 -8.208 1.00 0.00 N ATOM 1166 CA GLU A 76 7.389 8.496 -9.111 1.00 0.00 C ATOM 1167 C GLU A 76 6.429 9.509 -8.669 1.00 0.00 C ATOM 1168 O GLU A 76 6.076 9.549 -7.472 1.00 0.00 O ATOM 1169 CB GLU A 76 6.682 7.137 -9.208 1.00 0.00 C ATOM 1170 CG GLU A 76 5.566 7.172 -10.226 1.00 0.00 C ATOM 1171 CD GLU A 76 6.121 7.443 -11.584 1.00 0.00 C ATOM 1172 OE1 GLU A 76 6.530 6.492 -12.264 1.00 0.00 O ATOM 1173 OE2 GLU A 76 6.169 8.623 -11.983 1.00 0.00 O ATOM 0 H GLU A 76 8.204 8.690 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 76 7.784 8.697 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.404 6.368 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.279 6.863 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.032 6.221 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.843 7.943 -9.959 1.00 0.00 H new ATOM 1180 N ASN A 77 5.989 10.296 -9.589 1.00 0.00 N ATOM 1181 CA ASN A 77 5.178 11.389 -9.271 1.00 0.00 C ATOM 1182 C ASN A 77 3.801 11.270 -9.940 1.00 0.00 C ATOM 1183 O ASN A 77 2.967 12.165 -9.872 1.00 0.00 O ATOM 1184 CB ASN A 77 5.934 12.668 -9.546 1.00 0.00 C ATOM 1185 CG ASN A 77 5.310 13.913 -8.893 1.00 0.00 C ATOM 1186 OD1 ASN A 77 4.660 13.834 -7.859 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.530 15.065 -9.475 1.00 0.00 N ATOM 0 H ASN A 77 6.190 10.188 -10.583 1.00 0.00 H new ATOM 0 HA ASN A 77 4.946 11.405 -8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.958 12.557 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.987 12.823 -10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.157 15.922 -9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.075 15.105 -10.336 1.00 0.00 H new ATOM 1194 N LYS A 78 3.593 10.114 -10.584 1.00 0.00 N ATOM 1195 CA LYS A 78 2.373 9.733 -11.353 1.00 0.00 C ATOM 1196 C LYS A 78 0.993 9.808 -10.654 1.00 0.00 C ATOM 1197 O LYS A 78 -0.016 9.360 -11.205 1.00 0.00 O ATOM 1198 CB LYS A 78 2.575 8.426 -12.059 1.00 0.00 C ATOM 1199 CG LYS A 78 3.320 8.576 -13.370 1.00 0.00 C ATOM 1200 CD LYS A 78 3.099 7.393 -14.254 1.00 0.00 C ATOM 1201 CE LYS A 78 3.589 6.095 -13.626 1.00 0.00 C ATOM 1202 NZ LYS A 78 3.407 4.943 -14.526 1.00 0.00 N ATOM 0 H LYS A 78 4.296 9.375 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 78 2.284 10.551 -12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.127 7.748 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.605 7.967 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.988 9.481 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.386 8.693 -13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.036 7.305 -14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.613 7.551 -15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.644 6.192 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.050 5.917 -12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.753 4.080 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.397 4.834 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.942 5.101 -15.404 1.00 0.00 H new ATOM 1216 N CYS A 79 0.983 10.335 -9.485 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.213 10.751 -8.756 1.00 0.00 C ATOM 1218 C CYS A 79 -1.249 9.689 -8.304 1.00 0.00 C ATOM 1219 O CYS A 79 -2.397 10.087 -8.067 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.914 11.871 -9.537 1.00 0.00 C ATOM 1221 SG CYS A 79 0.135 13.311 -9.836 1.00 0.00 S ATOM 0 H CYS A 79 1.842 10.507 -8.962 1.00 0.00 H new ATOM 0 HA CYS A 79 0.196 11.072 -7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.256 11.476 -10.494 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.801 12.186 -8.987 1.00 0.00 H new ATOM 0 HG CYS A 79 1.359 12.922 -10.039 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.972 8.357 -8.091 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.034 7.546 -7.698 1.00 0.00 C ATOM 1229 C PRO A 80 -2.173 7.281 -6.191 1.00 0.00 C ATOM 1230 O PRO A 80 -3.286 7.320 -5.643 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.812 6.303 -8.539 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.335 6.181 -8.728 1.00 0.00 C ATOM 1233 CD PRO A 80 0.247 7.511 -8.331 1.00 0.00 C ATOM 0 HA PRO A 80 -2.997 8.028 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.214 5.420 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.321 6.388 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.072 5.378 -8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.093 5.943 -9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.864 7.430 -7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.878 7.926 -9.117 1.00 0.00 H new ATOM 1241 N VAL A 81 -1.086 7.105 -5.531 1.00 0.00 N ATOM 1242 CA VAL A 81 -1.087 6.568 -4.198 1.00 0.00 C ATOM 1243 C VAL A 81 -0.942 7.626 -3.134 1.00 0.00 C ATOM 1244 O VAL A 81 -0.194 8.646 -3.336 1.00 0.00 O ATOM 1245 CB VAL A 81 0.081 5.533 -4.087 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.192 4.821 -2.727 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.067 4.536 -5.168 1.00 0.00 C ATOM 0 H VAL A 81 -0.159 7.328 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.053 6.094 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 81 1.006 6.101 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.030 4.124 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.354 5.559 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.729 4.274 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.741 3.807 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.025 4.026 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.026 5.038 -6.134 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.628 7.375 -1.940 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.430 8.099 -0.735 1.00 0.00 C ATOM 1259 C PRO A 82 0.022 7.975 -0.426 1.00 0.00 C ATOM 1260 O PRO A 82 0.690 7.169 -1.016 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.331 7.436 0.317 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.580 6.103 -0.214 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.554 6.288 -1.720 1.00 0.00 C ATOM 0 HA PRO A 82 -1.687 9.157 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.841 7.392 1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.260 7.991 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.818 5.396 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.541 5.714 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.225 5.380 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.545 6.527 -2.107 1.00 0.00 H new ATOM 1271 N PHE A 83 0.440 8.587 0.554 1.00 0.00 N ATOM 1272 CA PHE A 83 1.746 9.162 0.595 1.00 0.00 C ATOM 1273 C PHE A 83 2.889 8.359 -0.030 1.00 0.00 C ATOM 1274 O PHE A 83 3.648 7.707 0.546 1.00 0.00 O ATOM 1275 CB PHE A 83 2.028 9.629 1.977 1.00 0.00 C ATOM 1276 CG PHE A 83 0.748 10.077 2.630 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.171 11.303 2.345 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.051 9.182 3.425 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.082 11.610 2.842 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.171 9.496 3.934 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.746 10.692 3.641 1.00 0.00 C ATOM 0 H PHE A 83 -0.105 8.731 1.404 1.00 0.00 H new ATOM 0 HA PHE A 83 1.716 10.011 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.482 8.826 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.744 10.451 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.700 12.020 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.485 8.218 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.541 12.560 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.685 8.793 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.724 10.928 4.032 1.00 0.00 H new ATOM 1291 N CYS A 84 2.927 8.689 -1.244 1.00 0.00 N ATOM 1292 CA CYS A 84 3.691 8.365 -2.374 1.00 0.00 C ATOM 1293 C CYS A 84 3.895 9.732 -2.829 1.00 0.00 C ATOM 1294 O CYS A 84 4.184 10.526 -1.977 1.00 0.00 O ATOM 1295 CB CYS A 84 2.969 7.451 -3.394 1.00 0.00 C ATOM 1296 SG CYS A 84 3.932 7.075 -4.891 1.00 0.00 S ATOM 0 H CYS A 84 2.235 9.377 -1.540 1.00 0.00 H new ATOM 0 HA CYS A 84 4.587 7.768 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.708 6.514 -2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.034 7.927 -3.690 1.00 0.00 H new ATOM 0 HG CYS A 84 4.370 5.852 -4.830 1.00 0.00 H new ATOM 1302 N LEU A 85 4.014 9.977 -4.066 1.00 0.00 N ATOM 1303 CA LEU A 85 4.195 11.362 -4.660 1.00 0.00 C ATOM 1304 C LEU A 85 3.405 12.633 -3.985 1.00 0.00 C ATOM 1305 O LEU A 85 3.373 13.726 -4.532 1.00 0.00 O ATOM 1306 CB LEU A 85 3.880 11.292 -6.176 1.00 0.00 C ATOM 1307 CG LEU A 85 2.413 11.105 -6.678 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.721 9.892 -6.149 1.00 0.00 C ATOM 1309 CD2 LEU A 85 1.614 12.321 -6.440 1.00 0.00 C ATOM 0 H LEU A 85 3.996 9.241 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 85 5.234 11.599 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.258 12.211 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.467 10.471 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 85 2.498 10.935 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.709 9.846 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.271 9.000 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.677 9.944 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.597 12.164 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.593 12.539 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.061 13.160 -6.973 1.00 0.00 H new ATOM 1321 N ASN A 86 2.921 12.462 -2.810 1.00 0.00 N ATOM 1322 CA ASN A 86 2.308 13.481 -1.989 1.00 0.00 C ATOM 1323 C ASN A 86 3.245 13.689 -0.757 1.00 0.00 C ATOM 1324 O ASN A 86 3.310 14.780 -0.202 1.00 0.00 O ATOM 1325 CB ASN A 86 0.908 13.022 -1.516 1.00 0.00 C ATOM 1326 CG ASN A 86 0.009 14.140 -0.930 1.00 0.00 C ATOM 1327 OD1 ASN A 86 -1.210 14.061 -1.022 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.571 15.157 -0.326 1.00 0.00 N ATOM 0 H ASN A 86 2.936 11.551 -2.351 1.00 0.00 H new ATOM 0 HA ASN A 86 2.181 14.407 -2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.389 12.565 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.034 12.246 -0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.007 15.895 0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.587 15.211 -0.256 1.00 0.00 H new ATOM 1335 N ILE A 87 3.987 12.607 -0.354 1.00 0.00 N ATOM 1336 CA ILE A 87 4.963 12.683 0.761 1.00 0.00 C ATOM 1337 C ILE A 87 6.164 13.466 0.219 1.00 0.00 C ATOM 1338 O ILE A 87 6.858 14.188 0.926 1.00 0.00 O ATOM 1339 CB ILE A 87 5.441 11.215 1.309 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.841 11.298 2.772 1.00 0.00 C ATOM 1341 CG2 ILE A 87 6.634 10.623 0.518 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.713 11.688 3.700 1.00 0.00 C ATOM 0 H ILE A 87 3.921 11.686 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 87 4.498 13.169 1.619 1.00 0.00 H new ATOM 0 HB ILE A 87 4.583 10.557 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.236 10.332 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.649 12.022 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.899 9.651 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.354 10.507 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.489 11.295 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.081 11.725 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.331 12.669 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.912 10.952 3.628 1.00 0.00 H new ATOM 1354 N LYS A 88 6.375 13.243 -1.055 1.00 0.00 N ATOM 1355 CA LYS A 88 7.358 13.862 -1.878 1.00 0.00 C ATOM 1356 C LYS A 88 6.694 14.275 -3.144 1.00 0.00 C ATOM 1357 O LYS A 88 6.169 13.412 -3.834 1.00 0.00 O ATOM 1358 CB LYS A 88 8.431 12.849 -2.238 1.00 0.00 C ATOM 1359 CG LYS A 88 7.909 11.490 -2.657 1.00 0.00 C ATOM 1360 CD LYS A 88 8.968 10.766 -3.386 1.00 0.00 C ATOM 1361 CE LYS A 88 8.411 9.624 -4.125 1.00 0.00 C ATOM 1362 NZ LYS A 88 7.243 9.979 -4.940 1.00 0.00 N ATOM 0 H LYS A 88 5.813 12.568 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 88 7.800 14.709 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.037 13.255 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.091 12.720 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.600 10.920 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.029 11.605 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.467 11.444 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.724 10.416 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.183 9.205 -4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.129 8.844 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.219 9.382 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.375 9.829 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.306 10.979 -5.220 1.00 0.00 H new ATOM 1586 N SER B 12 5.231 -2.454 10.180 1.00 0.00 N ATOM 1587 CA SER B 12 4.962 -3.872 9.951 1.00 0.00 C ATOM 1588 C SER B 12 4.160 -4.180 8.666 1.00 0.00 C ATOM 1589 O SER B 12 2.981 -3.798 8.527 1.00 0.00 O ATOM 1590 CB SER B 12 4.326 -4.483 11.181 1.00 0.00 C ATOM 1591 OG SER B 12 3.569 -3.494 11.889 1.00 0.00 O ATOM 0 HA SER B 12 5.929 -4.343 9.774 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.677 -5.310 10.891 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.097 -4.896 11.831 1.00 0.00 H new ATOM 0 HG SER B 12 2.724 -3.331 11.420 1.00 0.00 H new ATOM 1597 N PRO B 13 4.811 -4.921 7.744 1.00 0.00 N ATOM 1598 CA PRO B 13 4.300 -5.217 6.381 1.00 0.00 C ATOM 1599 C PRO B 13 3.021 -6.009 6.360 1.00 0.00 C ATOM 1600 O PRO B 13 2.175 -5.864 5.462 1.00 0.00 O ATOM 1601 CB PRO B 13 5.400 -6.093 5.788 1.00 0.00 C ATOM 1602 CG PRO B 13 6.218 -6.577 6.922 1.00 0.00 C ATOM 1603 CD PRO B 13 6.146 -5.527 7.960 1.00 0.00 C ATOM 0 HA PRO B 13 4.079 -4.290 5.851 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.972 -6.929 5.235 1.00 0.00 H new ATOM 0 HB3 PRO B 13 6.010 -5.525 5.086 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.836 -7.525 7.300 1.00 0.00 H new ATOM 0 HG3 PRO B 13 7.249 -6.749 6.613 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.240 -5.946 8.962 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.944 -4.793 7.845 1.00 0.00 H new ATOM 1611 N ASP B 14 2.896 -6.775 7.386 1.00 0.00 N ATOM 1612 CA ASP B 14 1.869 -7.803 7.589 1.00 0.00 C ATOM 1613 C ASP B 14 0.433 -7.284 7.415 1.00 0.00 C ATOM 1614 O ASP B 14 -0.502 -8.051 7.189 1.00 0.00 O ATOM 1615 CB ASP B 14 2.058 -8.364 8.991 1.00 0.00 C ATOM 1616 CG ASP B 14 1.233 -9.593 9.277 1.00 0.00 C ATOM 1617 OD1 ASP B 14 1.672 -10.688 8.910 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.154 -9.494 9.902 1.00 0.00 O ATOM 0 H ASP B 14 3.540 -6.716 8.175 1.00 0.00 H new ATOM 0 HA ASP B 14 1.995 -8.569 6.823 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.111 -8.604 9.136 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.804 -7.592 9.717 1.00 0.00 H new ATOM 1623 N ASP B 15 0.257 -6.016 7.566 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.049 -5.433 7.448 1.00 0.00 C ATOM 1625 C ASP B 15 -1.643 -5.232 6.066 1.00 0.00 C ATOM 1626 O ASP B 15 -2.733 -5.725 5.802 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.335 -4.312 8.436 1.00 0.00 C ATOM 1628 CG ASP B 15 -1.649 -4.827 9.830 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -0.711 -5.122 10.609 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.840 -4.964 10.165 1.00 0.00 O ATOM 0 H ASP B 15 1.004 -5.353 7.773 1.00 0.00 H new ATOM 0 HA ASP B 15 -1.653 -6.279 7.775 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.473 -3.647 8.484 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -2.175 -3.719 8.074 1.00 0.00 H new ATOM 1635 N ILE B 16 -0.941 -4.573 5.164 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.523 -4.119 3.934 1.00 0.00 C ATOM 1637 C ILE B 16 -1.714 -5.205 2.974 1.00 0.00 C ATOM 1638 O ILE B 16 -2.545 -5.165 2.131 1.00 0.00 O ATOM 1639 CB ILE B 16 -0.782 -2.918 3.364 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.671 -2.840 3.871 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.532 -1.679 3.733 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.750 -2.247 5.238 1.00 0.00 C ATOM 0 H ILE B 16 0.047 -4.342 5.271 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.527 -3.763 4.163 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.730 -3.021 2.280 1.00 0.00 H new ATOM 0 HG12 ILE B 16 1.106 -3.839 3.883 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.265 -2.242 3.180 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.014 -0.807 3.332 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.539 -1.726 3.318 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.590 -1.599 4.818 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.791 -2.210 5.559 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.339 -1.238 5.221 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.178 -2.860 5.934 1.00 0.00 H new ATOM 1654 N GLU B 17 -0.926 -6.121 3.137 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.014 -7.431 2.498 1.00 0.00 C ATOM 1656 C GLU B 17 -2.366 -8.120 2.722 1.00 0.00 C ATOM 1657 O GLU B 17 -2.847 -8.851 1.862 1.00 0.00 O ATOM 1658 CB GLU B 17 0.119 -8.374 2.864 1.00 0.00 C ATOM 1659 CG GLU B 17 0.220 -8.722 4.334 1.00 0.00 C ATOM 1660 CD GLU B 17 1.230 -9.818 4.634 1.00 0.00 C ATOM 1661 OE1 GLU B 17 2.448 -9.563 4.562 1.00 0.00 O ATOM 1662 OE2 GLU B 17 0.816 -10.962 4.929 1.00 0.00 O ATOM 0 H GLU B 17 -0.118 -6.037 3.754 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.917 -7.208 1.435 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.000 -9.297 2.296 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.060 -7.925 2.548 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.492 -7.826 4.893 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.760 -9.036 4.692 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.006 -7.882 3.848 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.323 -8.456 4.053 1.00 0.00 C ATOM 1671 C GLN B 18 -5.258 -7.743 3.122 1.00 0.00 C ATOM 1672 O GLN B 18 -6.254 -8.306 2.589 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.840 -8.215 5.466 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.934 -8.651 6.571 1.00 0.00 C ATOM 1675 CD GLN B 18 -4.467 -8.241 7.919 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -4.120 -7.066 8.345 1.00 0.00 O flip ATOM 1677 NE2 GLN B 18 -5.215 -8.971 8.556 1.00 0.00 N flip ATOM 0 H GLN B 18 -2.651 -7.312 4.616 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.265 -9.531 3.880 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.039 -7.150 5.583 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.793 -8.732 5.577 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -3.816 -9.734 6.540 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -2.945 -8.218 6.423 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -5.466 -9.889 8.189 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -5.587 -8.661 9.454 1.00 0.00 H new ATOM 1686 N TRP B 19 -4.890 -6.522 2.852 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.735 -5.660 2.151 1.00 0.00 C ATOM 1688 C TRP B 19 -5.456 -5.810 0.670 1.00 0.00 C ATOM 1689 O TRP B 19 -6.341 -5.686 -0.153 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.657 -4.223 2.725 1.00 0.00 C ATOM 1691 CG TRP B 19 -5.963 -4.247 4.213 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.002 -4.881 4.822 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.243 -3.622 5.268 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.901 -4.792 6.152 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -5.857 -4.000 6.463 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.145 -2.815 5.328 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.392 -3.602 7.688 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.678 -2.408 6.556 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.308 -2.808 7.724 1.00 0.00 C ATOM 0 H TRP B 19 -3.993 -6.118 3.121 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.784 -5.924 2.282 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.664 -3.807 2.555 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.366 -3.576 2.209 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -7.801 -5.388 4.301 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -7.516 -5.251 6.824 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.648 -2.499 4.422 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -5.882 -3.917 8.598 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.809 -1.769 6.611 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -3.922 -2.477 8.677 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.216 -6.139 0.374 1.00 0.00 N ATOM 1711 CA PHE B 20 -3.783 -6.520 -0.931 1.00 0.00 C ATOM 1712 C PHE B 20 -4.540 -7.734 -1.378 1.00 0.00 C ATOM 1713 O PHE B 20 -5.054 -7.757 -2.473 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.225 -6.687 -0.978 1.00 0.00 C ATOM 1715 CG PHE B 20 -1.654 -8.017 -1.439 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.469 -8.305 -2.773 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.266 -8.943 -0.510 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -0.917 -9.503 -3.168 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -0.700 -10.142 -0.883 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.529 -10.425 -2.217 1.00 0.00 C ATOM 0 H PHE B 20 -3.466 -6.145 1.066 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.009 -5.729 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -1.828 -5.911 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -1.840 -6.489 0.022 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -1.761 -7.581 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.407 -8.729 0.539 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.788 -9.720 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.393 -10.855 -0.132 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.093 -11.365 -2.520 1.00 0.00 H new ATOM 1730 N THR B 21 -4.566 -8.760 -0.551 1.00 0.00 N ATOM 1731 CA THR B 21 -5.351 -9.894 -0.850 1.00 0.00 C ATOM 1732 C THR B 21 -5.788 -10.700 0.390 1.00 0.00 C ATOM 1733 O THR B 21 -5.018 -11.456 0.999 1.00 0.00 O ATOM 1734 CB THR B 21 -4.792 -10.769 -2.007 1.00 0.00 C ATOM 1735 OG1 THR B 21 -5.799 -11.661 -2.519 1.00 0.00 O ATOM 1736 CG2 THR B 21 -3.680 -11.557 -1.519 1.00 0.00 C ATOM 0 H THR B 21 -4.047 -8.812 0.326 1.00 0.00 H new ATOM 0 HA THR B 21 -6.278 -9.481 -1.248 1.00 0.00 H new ATOM 0 HB THR B 21 -4.470 -10.105 -2.809 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.421 -12.198 -3.246 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.286 -12.171 -2.329 1.00 0.00 H new ATOM 0 HG22 THR B 21 -2.897 -10.893 -1.153 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.019 -12.200 -0.707 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.937 -10.441 0.854 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.558 -11.408 1.699 1.00 0.00 C ATOM 1746 C GLU B 22 -8.529 -12.122 0.773 1.00 0.00 C ATOM 1747 O GLU B 22 -8.843 -11.576 -0.294 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.338 -10.791 2.887 1.00 0.00 C ATOM 1749 CG GLU B 22 -9.808 -10.437 2.563 1.00 0.00 C ATOM 1750 CD GLU B 22 -10.606 -9.968 3.749 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -10.993 -10.792 4.588 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -10.857 -8.752 3.843 1.00 0.00 O ATOM 0 H GLU B 22 -7.472 -9.591 0.678 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.808 -12.051 2.160 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.320 -11.491 3.722 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -7.823 -9.889 3.216 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -9.823 -9.660 1.799 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -10.295 -11.313 2.135 1.00 0.00 H new