USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 59 LYS NZ :NH3+ 141:sc= -4.52! (180deg=-3.99!) USER MOD Set 1.2: A 63 TYR OH : rot 5:sc= 1.11 USER MOD Single : A 3 THR OG1 : rot 34:sc= 0.149 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0045 USER MOD Single : A 7 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 53:sc= 0.959 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -13:sc= 0.195 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.779 X(o=-0.78,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 33 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.4!) USER MOD Single : A 34 HIS : no HE2:sc= 0.231 K(o=0.23,f=-1.9) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -4.85! C(o=-4.9!,f=-4.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.17! X(o=-2.2!,f=-1.9) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.235 (180deg=-1.04) USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= -10.3! (180deg=-13!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 71:sc= -3.51! USER MOD Single : A 62 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.13) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -3.24! (180deg=-5.23!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -16:sc= -2.34! USER MOD Single : B 175 SER OG : rot 54:sc= 0.531 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 15.219 -12.430 -1.190 1.00 1.00 N ATOM 2 CA THR A 3 14.802 -11.140 -1.740 1.00 1.00 C ATOM 3 C THR A 3 15.072 -10.010 -0.744 1.00 1.00 C ATOM 4 O THR A 3 14.762 -10.130 0.441 1.00 1.00 O ATOM 5 CB THR A 3 13.310 -11.170 -2.083 1.00 1.00 C ATOM 6 OG1 THR A 3 13.062 -12.240 -2.986 1.00 1.00 O ATOM 7 CG2 THR A 3 12.908 -9.857 -2.737 1.00 1.00 C ATOM 0 HA THR A 3 15.380 -10.956 -2.645 1.00 1.00 H new ATOM 0 HB THR A 3 12.729 -11.311 -1.171 1.00 1.00 H new ATOM 0 HG1 THR A 3 13.666 -12.985 -2.784 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.846 -9.882 -2.980 1.00 1.00 H new ATOM 0 HG22 THR A 3 13.104 -9.033 -2.050 1.00 1.00 H new ATOM 0 HG23 THR A 3 13.486 -9.714 -3.650 1.00 1.00 H new ATOM 15 N SER A 4 15.650 -8.927 -1.237 1.00 1.00 N ATOM 16 CA SER A 4 15.957 -7.784 -0.384 1.00 1.00 C ATOM 17 C SER A 4 14.681 -7.243 0.246 1.00 1.00 C ATOM 18 O SER A 4 13.587 -7.424 -0.288 1.00 1.00 O ATOM 19 CB SER A 4 16.635 -6.687 -1.203 1.00 1.00 C ATOM 20 OG SER A 4 17.876 -7.171 -1.699 1.00 1.00 O ATOM 0 H SER A 4 15.915 -8.812 -2.215 1.00 1.00 H new ATOM 0 HA SER A 4 16.633 -8.108 0.407 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.993 -6.385 -2.030 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.797 -5.803 -0.586 1.00 1.00 H new ATOM 0 HG SER A 4 18.313 -6.470 -2.227 1.00 1.00 H new ATOM 26 N THR A 5 14.825 -6.589 1.393 1.00 1.00 N ATOM 27 CA THR A 5 13.671 -6.042 2.092 1.00 1.00 C ATOM 28 C THR A 5 12.967 -5.017 1.216 1.00 1.00 C ATOM 29 O THR A 5 11.738 -5.013 1.108 1.00 1.00 O ATOM 30 CB THR A 5 14.122 -5.356 3.385 1.00 1.00 C ATOM 31 OG1 THR A 5 15.058 -6.184 4.061 1.00 1.00 O ATOM 32 CG2 THR A 5 12.920 -5.130 4.299 1.00 1.00 C ATOM 0 H THR A 5 15.720 -6.426 1.854 1.00 1.00 H new ATOM 0 HA THR A 5 12.988 -6.859 2.324 1.00 1.00 H new ATOM 0 HB THR A 5 14.580 -4.399 3.135 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.347 -5.744 4.887 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.248 -4.642 5.217 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.191 -4.498 3.792 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.462 -6.089 4.542 1.00 1.00 H new ATOM 40 N LEU A 6 13.746 -4.137 0.595 1.00 1.00 N ATOM 41 CA LEU A 6 13.164 -3.115 -0.249 1.00 1.00 C ATOM 42 C LEU A 6 12.553 -3.723 -1.502 1.00 1.00 C ATOM 43 O LEU A 6 11.458 -3.346 -1.924 1.00 1.00 O ATOM 44 CB LEU A 6 14.232 -2.091 -0.644 1.00 1.00 C ATOM 45 CG LEU A 6 13.589 -0.916 -1.397 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.545 -0.219 -0.519 1.00 1.00 C ATOM 47 CD2 LEU A 6 14.665 0.089 -1.757 1.00 1.00 C ATOM 0 H LEU A 6 14.764 -4.115 0.662 1.00 1.00 H new ATOM 0 HA LEU A 6 12.374 -2.620 0.316 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.743 -1.725 0.247 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.986 -2.565 -1.272 1.00 1.00 H new ATOM 0 HG LEU A 6 13.103 -1.300 -2.294 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.101 0.610 -1.070 1.00 1.00 H new ATOM 0 HD12 LEU A 6 11.766 -0.931 -0.245 1.00 1.00 H new ATOM 0 HD13 LEU A 6 13.024 0.160 0.384 1.00 1.00 H new ATOM 0 HD21 LEU A 6 14.217 0.926 -2.292 1.00 1.00 H new ATOM 0 HD22 LEU A 6 15.142 0.453 -0.847 1.00 1.00 H new ATOM 0 HD23 LEU A 6 15.412 -0.389 -2.391 1.00 1.00 H new ATOM 59 N GLN A 7 13.270 -4.662 -2.096 1.00 1.00 N ATOM 60 CA GLN A 7 12.790 -5.307 -3.302 1.00 1.00 C ATOM 61 C GLN A 7 11.450 -5.964 -3.032 1.00 1.00 C ATOM 62 O GLN A 7 10.500 -5.824 -3.807 1.00 1.00 O ATOM 63 CB GLN A 7 13.818 -6.344 -3.762 1.00 1.00 C ATOM 64 CG GLN A 7 13.345 -7.022 -5.059 1.00 1.00 C ATOM 65 CD GLN A 7 13.226 -5.985 -6.175 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.206 -5.328 -6.520 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.073 -5.800 -6.760 1.00 1.00 N ATOM 0 H GLN A 7 14.177 -4.991 -1.766 1.00 1.00 H new ATOM 0 HA GLN A 7 12.658 -4.567 -4.091 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.782 -5.863 -3.925 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.963 -7.093 -2.984 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.049 -7.802 -5.349 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.382 -7.506 -4.896 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.261 -6.347 -6.472 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.984 -5.109 -7.505 1.00 1.00 H new ATOM 76 N LYS A 8 11.378 -6.677 -1.928 1.00 1.00 N ATOM 77 CA LYS A 8 10.150 -7.349 -1.570 1.00 1.00 C ATOM 78 C LYS A 8 9.057 -6.320 -1.380 1.00 1.00 C ATOM 79 O LYS A 8 7.904 -6.555 -1.737 1.00 1.00 O ATOM 80 CB LYS A 8 10.337 -8.121 -0.273 1.00 1.00 C ATOM 81 CG LYS A 8 9.127 -9.033 0.006 1.00 1.00 C ATOM 82 CD LYS A 8 9.176 -10.280 -0.879 1.00 1.00 C ATOM 83 CE LYS A 8 8.234 -11.350 -0.328 1.00 1.00 C ATOM 84 NZ LYS A 8 8.261 -12.530 -1.232 1.00 1.00 N ATOM 0 H LYS A 8 12.147 -6.805 -1.270 1.00 1.00 H new ATOM 0 HA LYS A 8 9.877 -8.043 -2.365 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.244 -8.722 -0.331 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.469 -7.423 0.554 1.00 1.00 H new ATOM 0 HG2 LYS A 8 9.120 -9.326 1.056 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.202 -8.486 -0.178 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.891 -10.023 -1.899 1.00 1.00 H new ATOM 0 HD3 LYS A 8 10.194 -10.667 -0.920 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.540 -11.639 0.678 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.220 -10.957 -0.252 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.622 -13.264 -0.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 7.951 -12.246 -2.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 9.229 -12.907 -1.282 1.00 1.00 H new ATOM 98 N ALA A 9 9.420 -5.173 -0.806 1.00 1.00 N ATOM 99 CA ALA A 9 8.436 -4.129 -0.572 1.00 1.00 C ATOM 100 C ALA A 9 7.802 -3.697 -1.898 1.00 1.00 C ATOM 101 O ALA A 9 6.587 -3.496 -1.997 1.00 1.00 O ATOM 102 CB ALA A 9 9.115 -2.926 0.113 1.00 1.00 C ATOM 0 H ALA A 9 10.368 -4.950 -0.502 1.00 1.00 H new ATOM 0 HA ALA A 9 7.650 -4.513 0.078 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.377 -2.143 0.288 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.542 -3.242 1.065 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.907 -2.541 -0.529 1.00 1.00 H new ATOM 108 N ILE A 10 8.646 -3.565 -2.912 1.00 1.00 N ATOM 109 CA ILE A 10 8.182 -3.163 -4.238 1.00 1.00 C ATOM 110 C ILE A 10 7.264 -4.237 -4.820 1.00 1.00 C ATOM 111 O ILE A 10 6.262 -3.955 -5.474 1.00 1.00 O ATOM 112 CB ILE A 10 9.368 -2.907 -5.175 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.131 -1.667 -4.703 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.851 -2.668 -6.598 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.471 -1.588 -5.438 1.00 1.00 C ATOM 0 H ILE A 10 9.651 -3.729 -2.846 1.00 1.00 H new ATOM 0 HA ILE A 10 7.620 -2.234 -4.141 1.00 1.00 H new ATOM 0 HB ILE A 10 10.031 -3.772 -5.165 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.544 -0.769 -4.896 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.296 -1.715 -3.627 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.693 -2.486 -7.265 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.302 -3.546 -6.938 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.189 -1.802 -6.604 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.017 -0.706 -5.104 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.057 -2.481 -5.222 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.294 -1.521 -6.511 1.00 1.00 H new ATOM 127 N ASP A 11 7.640 -5.481 -4.629 1.00 1.00 N ATOM 128 CA ASP A 11 6.849 -6.577 -5.167 1.00 1.00 C ATOM 129 C ASP A 11 5.461 -6.604 -4.524 1.00 1.00 C ATOM 130 O ASP A 11 4.446 -6.805 -5.203 1.00 1.00 O ATOM 131 CB ASP A 11 7.558 -7.899 -4.891 1.00 1.00 C ATOM 132 CG ASP A 11 7.020 -8.996 -5.804 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.913 -8.844 -6.295 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.722 -9.975 -5.998 1.00 1.00 O ATOM 0 H ASP A 11 8.474 -5.762 -4.114 1.00 1.00 H new ATOM 0 HA ASP A 11 6.737 -6.432 -6.241 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.631 -7.782 -5.046 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.416 -8.184 -3.848 1.00 1.00 H new ATOM 139 N LEU A 12 5.423 -6.418 -3.206 1.00 1.00 N ATOM 140 CA LEU A 12 4.161 -6.445 -2.476 1.00 1.00 C ATOM 141 C LEU A 12 3.239 -5.308 -2.901 1.00 1.00 C ATOM 142 O LEU A 12 2.044 -5.516 -3.114 1.00 1.00 O ATOM 143 CB LEU A 12 4.448 -6.310 -0.981 1.00 1.00 C ATOM 144 CG LEU A 12 5.208 -7.542 -0.472 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.871 -7.217 0.877 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.255 -8.740 -0.309 1.00 1.00 C ATOM 0 H LEU A 12 6.245 -6.248 -2.627 1.00 1.00 H new ATOM 0 HA LEU A 12 3.664 -7.390 -2.696 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.035 -5.410 -0.796 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.513 -6.199 -0.433 1.00 1.00 H new ATOM 0 HG LEU A 12 5.973 -7.806 -1.202 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.411 -8.093 1.238 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.568 -6.389 0.750 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.105 -6.939 1.601 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.814 -9.603 0.053 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.473 -8.488 0.407 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.802 -8.978 -1.271 1.00 1.00 H new ATOM 158 N VAL A 13 3.790 -4.111 -3.018 1.00 1.00 N ATOM 159 CA VAL A 13 2.983 -2.966 -3.413 1.00 1.00 C ATOM 160 C VAL A 13 2.545 -3.094 -4.870 1.00 1.00 C ATOM 161 O VAL A 13 1.445 -2.675 -5.237 1.00 1.00 O ATOM 162 CB VAL A 13 3.763 -1.661 -3.218 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.912 -1.610 -4.209 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.829 -0.444 -3.397 1.00 1.00 C ATOM 0 H VAL A 13 4.775 -3.907 -2.849 1.00 1.00 H new ATOM 0 HA VAL A 13 2.097 -2.944 -2.779 1.00 1.00 H new ATOM 0 HB VAL A 13 4.166 -1.627 -2.206 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.469 -0.683 -4.073 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.575 -2.459 -4.042 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.519 -1.651 -5.225 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.398 0.475 -3.255 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.403 -0.456 -4.400 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.026 -0.491 -2.662 1.00 1.00 H new ATOM 174 N THR A 14 3.404 -3.680 -5.701 1.00 1.00 N ATOM 175 CA THR A 14 3.081 -3.850 -7.109 1.00 1.00 C ATOM 176 C THR A 14 1.801 -4.680 -7.235 1.00 1.00 C ATOM 177 O THR A 14 0.844 -4.308 -7.938 1.00 1.00 O ATOM 178 CB THR A 14 4.249 -4.553 -7.818 1.00 1.00 C ATOM 179 OG1 THR A 14 5.420 -3.750 -7.714 1.00 1.00 O ATOM 180 CG2 THR A 14 3.907 -4.767 -9.291 1.00 1.00 C ATOM 0 H THR A 14 4.318 -4.040 -5.425 1.00 1.00 H new ATOM 0 HA THR A 14 2.920 -2.878 -7.576 1.00 1.00 H new ATOM 0 HB THR A 14 4.426 -5.520 -7.346 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.582 -3.528 -6.773 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.739 -5.266 -9.789 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.013 -5.385 -9.371 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.725 -3.803 -9.766 1.00 1.00 H new ATOM 188 N LYS A 15 1.762 -5.790 -6.511 1.00 1.00 N ATOM 189 CA LYS A 15 0.575 -6.629 -6.528 1.00 1.00 C ATOM 190 C LYS A 15 -0.604 -5.852 -5.951 1.00 1.00 C ATOM 191 O LYS A 15 -1.714 -5.908 -6.461 1.00 1.00 O ATOM 192 CB LYS A 15 0.817 -7.894 -5.724 1.00 1.00 C ATOM 193 CG LYS A 15 -0.350 -8.862 -5.939 1.00 1.00 C ATOM 194 CD LYS A 15 -0.091 -10.130 -5.150 1.00 1.00 C ATOM 195 CE LYS A 15 1.150 -10.860 -5.687 1.00 1.00 C ATOM 196 NZ LYS A 15 1.071 -12.310 -5.331 1.00 1.00 N ATOM 0 H LYS A 15 2.521 -6.124 -5.917 1.00 1.00 H new ATOM 0 HA LYS A 15 0.348 -6.912 -7.556 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.753 -8.361 -6.032 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.914 -7.653 -4.665 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.285 -8.403 -5.617 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.457 -9.093 -6.999 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.051 -9.886 -4.097 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.960 -10.786 -5.211 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.213 -10.744 -6.769 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.054 -10.420 -5.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.911 -12.803 -5.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.031 -12.412 -4.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.216 -12.725 -5.753 1.00 1.00 H new ATOM 210 N ALA A 16 -0.360 -5.118 -4.878 1.00 1.00 N ATOM 211 CA ALA A 16 -1.422 -4.342 -4.256 1.00 1.00 C ATOM 212 C ALA A 16 -2.134 -3.471 -5.280 1.00 1.00 C ATOM 213 O ALA A 16 -3.358 -3.367 -5.280 1.00 1.00 O ATOM 214 CB ALA A 16 -0.832 -3.452 -3.156 1.00 1.00 C ATOM 0 H ALA A 16 0.550 -5.043 -4.424 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.146 -5.035 -3.827 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.629 -2.871 -2.691 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.351 -4.076 -2.403 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.096 -2.775 -3.591 1.00 1.00 H new ATOM 220 N THR A 17 -1.358 -2.839 -6.146 1.00 1.00 N ATOM 221 CA THR A 17 -1.934 -1.970 -7.155 1.00 1.00 C ATOM 222 C THR A 17 -2.751 -2.780 -8.150 1.00 1.00 C ATOM 223 O THR A 17 -3.806 -2.334 -8.612 1.00 1.00 O ATOM 224 CB THR A 17 -0.822 -1.204 -7.889 1.00 1.00 C ATOM 225 OG1 THR A 17 0.122 -2.142 -8.395 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.101 -0.242 -6.931 1.00 1.00 C ATOM 0 H THR A 17 -0.341 -2.911 -6.170 1.00 1.00 H new ATOM 0 HA THR A 17 -2.593 -1.255 -6.662 1.00 1.00 H new ATOM 0 HB THR A 17 -1.266 -0.626 -8.699 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.038 -3.019 -7.988 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.682 0.290 -7.471 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.816 0.476 -6.529 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.343 -0.809 -6.113 1.00 1.00 H new ATOM 234 N GLU A 18 -2.283 -3.978 -8.457 1.00 1.00 N ATOM 235 CA GLU A 18 -3.020 -4.831 -9.383 1.00 1.00 C ATOM 236 C GLU A 18 -4.351 -5.256 -8.743 1.00 1.00 C ATOM 237 O GLU A 18 -5.393 -5.314 -9.404 1.00 1.00 O ATOM 238 CB GLU A 18 -2.146 -6.063 -9.777 1.00 1.00 C ATOM 239 CG GLU A 18 -2.611 -7.341 -9.064 1.00 1.00 C ATOM 240 CD GLU A 18 -1.689 -8.506 -9.377 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.807 -8.339 -10.200 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.883 -9.550 -8.782 1.00 1.00 O ATOM 0 H GLU A 18 -1.419 -4.378 -8.091 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.247 -4.281 -10.296 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.191 -6.211 -10.856 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.104 -5.865 -9.526 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.637 -7.172 -7.987 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.628 -7.584 -9.373 1.00 1.00 H new ATOM 249 N GLU A 19 -4.300 -5.558 -7.452 1.00 1.00 N ATOM 250 CA GLU A 19 -5.484 -5.990 -6.734 1.00 1.00 C ATOM 251 C GLU A 19 -6.449 -4.832 -6.572 1.00 1.00 C ATOM 252 O GLU A 19 -7.659 -4.979 -6.755 1.00 1.00 O ATOM 253 CB GLU A 19 -5.091 -6.560 -5.355 1.00 1.00 C ATOM 254 CG GLU A 19 -4.423 -7.939 -5.509 1.00 1.00 C ATOM 255 CD GLU A 19 -5.428 -8.954 -6.049 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.615 -8.717 -5.901 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.994 -9.952 -6.603 1.00 1.00 O ATOM 0 H GLU A 19 -3.453 -5.511 -6.886 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.977 -6.775 -7.307 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.409 -5.874 -4.853 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.977 -6.647 -4.726 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.571 -7.865 -6.185 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.038 -8.274 -4.546 1.00 1.00 H new ATOM 264 N ASP A 20 -5.902 -3.673 -6.250 1.00 1.00 N ATOM 265 CA ASP A 20 -6.720 -2.486 -6.076 1.00 1.00 C ATOM 266 C ASP A 20 -7.511 -2.218 -7.349 1.00 1.00 C ATOM 267 O ASP A 20 -8.707 -1.934 -7.300 1.00 1.00 O ATOM 268 CB ASP A 20 -5.831 -1.281 -5.757 1.00 1.00 C ATOM 269 CG ASP A 20 -6.690 -0.098 -5.325 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.901 -0.205 -5.431 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.127 0.894 -4.897 1.00 1.00 O ATOM 0 H ASP A 20 -4.903 -3.529 -6.105 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.411 -2.647 -5.249 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.127 -1.538 -4.966 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.241 -1.012 -6.633 1.00 1.00 H new ATOM 276 N LYS A 21 -6.839 -2.334 -8.488 1.00 1.00 N ATOM 277 CA LYS A 21 -7.501 -2.124 -9.769 1.00 1.00 C ATOM 278 C LYS A 21 -8.530 -3.215 -10.000 1.00 1.00 C ATOM 279 O LYS A 21 -9.608 -2.960 -10.540 1.00 1.00 O ATOM 280 CB LYS A 21 -6.470 -2.088 -10.900 1.00 1.00 C ATOM 281 CG LYS A 21 -5.810 -0.701 -10.970 1.00 1.00 C ATOM 282 CD LYS A 21 -4.712 -0.688 -12.050 1.00 1.00 C ATOM 283 CE LYS A 21 -3.380 -1.114 -11.440 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.346 -1.184 -12.510 1.00 1.00 N ATOM 0 H LYS A 21 -5.849 -2.569 -8.551 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.016 -1.163 -9.755 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.711 -2.853 -10.735 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.953 -2.318 -11.850 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.561 0.056 -11.196 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.381 -0.445 -10.001 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.982 -1.362 -12.863 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.623 0.310 -12.479 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.076 -0.404 -10.671 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -3.483 -2.085 -10.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.437 -1.474 -12.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.636 -1.877 -13.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.242 -0.249 -12.953 1.00 1.00 H new ATOM 298 N ALA A 22 -8.189 -4.433 -9.600 1.00 1.00 N ATOM 299 CA ALA A 22 -9.092 -5.560 -9.770 1.00 1.00 C ATOM 300 C ALA A 22 -10.250 -5.459 -8.797 1.00 1.00 C ATOM 301 O ALA A 22 -11.020 -6.403 -8.630 1.00 1.00 O ATOM 302 CB ALA A 22 -8.348 -6.874 -9.546 1.00 1.00 C ATOM 0 H ALA A 22 -7.299 -4.664 -9.158 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.479 -5.539 -10.789 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.037 -7.709 -9.677 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.534 -6.959 -10.266 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.941 -6.894 -8.535 1.00 1.00 H new ATOM 308 N LYS A 23 -10.370 -4.294 -8.173 1.00 1.00 N ATOM 309 CA LYS A 23 -11.460 -4.057 -7.228 1.00 1.00 C ATOM 310 C LYS A 23 -11.310 -4.949 -6.007 1.00 1.00 C ATOM 311 O LYS A 23 -12.280 -5.213 -5.294 1.00 1.00 O ATOM 312 CB LYS A 23 -12.810 -4.317 -7.912 1.00 1.00 C ATOM 313 CG LYS A 23 -12.810 -3.797 -9.363 1.00 1.00 C ATOM 314 CD LYS A 23 -12.410 -2.320 -9.395 1.00 1.00 C ATOM 315 CE LYS A 23 -13.400 -1.508 -8.556 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.430 -0.108 -9.050 1.00 1.00 N ATOM 0 H LYS A 23 -9.736 -3.505 -8.300 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.421 -3.018 -6.902 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.024 -5.386 -7.906 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.606 -3.830 -7.348 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.116 -4.382 -9.967 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.800 -3.923 -9.802 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -11.399 -2.197 -9.006 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -12.402 -1.956 -10.422 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -14.395 -1.949 -8.619 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.107 -1.529 -7.506 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -14.102 0.446 -8.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -12.481 0.309 -8.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -13.728 -0.098 -10.046 1.00 1.00 H new ATOM 330 N ASN A 24 -10.090 -5.398 -5.760 1.00 1.00 N ATOM 331 CA ASN A 24 -9.819 -6.255 -4.613 1.00 1.00 C ATOM 332 C ASN A 24 -9.310 -5.412 -3.441 1.00 1.00 C ATOM 333 O ASN A 24 -8.148 -5.478 -3.061 1.00 1.00 O ATOM 334 CB ASN A 24 -8.786 -7.332 -5.016 1.00 1.00 C ATOM 335 CG ASN A 24 -9.451 -8.692 -5.197 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.600 -8.774 -5.611 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.777 -9.766 -4.891 1.00 1.00 N ATOM 0 H ASN A 24 -9.274 -5.186 -6.334 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.736 -6.752 -4.296 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.293 -7.039 -5.943 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.012 -7.401 -4.252 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.207 -10.685 -4.996 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.820 -9.687 -4.547 1.00 1.00 H new ATOM 344 N TYR A 25 -10.190 -4.614 -2.876 1.00 1.00 N ATOM 345 CA TYR A 25 -9.814 -3.765 -1.760 1.00 1.00 C ATOM 346 C TYR A 25 -9.214 -4.591 -0.633 1.00 1.00 C ATOM 347 O TYR A 25 -8.199 -4.216 -0.078 1.00 1.00 O ATOM 348 CB TYR A 25 -11.040 -3.033 -1.229 1.00 1.00 C ATOM 349 CG TYR A 25 -11.920 -2.614 -2.382 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.360 -2.024 -3.523 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.310 -2.834 -2.312 1.00 1.00 C ATOM 352 CE1 TYR A 25 -12.190 -1.650 -4.587 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.130 -2.462 -3.382 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.570 -1.869 -4.518 1.00 1.00 C ATOM 355 OH TYR A 25 -14.380 -1.501 -5.570 1.00 1.00 O ATOM 0 H TYR A 25 -11.164 -4.533 -3.166 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.073 -3.048 -2.115 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.596 -3.680 -0.550 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.733 -2.158 -0.656 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.294 -1.859 -3.581 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.742 -3.289 -1.433 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.762 -1.190 -5.466 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.195 -2.633 -3.331 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.311 -1.724 -5.360 1.00 1.00 H new ATOM 365 N GLU A 26 -9.850 -5.704 -0.294 1.00 1.00 N ATOM 366 CA GLU A 26 -9.351 -6.540 0.797 1.00 1.00 C ATOM 367 C GLU A 26 -7.919 -7.028 0.529 1.00 1.00 C ATOM 368 O GLU A 26 -7.014 -6.835 1.352 1.00 1.00 O ATOM 369 CB GLU A 26 -10.290 -7.756 0.962 1.00 1.00 C ATOM 370 CG GLU A 26 -11.370 -7.454 1.992 1.00 1.00 C ATOM 371 CD GLU A 26 -12.360 -8.619 2.071 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.180 -9.573 1.331 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.270 -8.540 2.874 1.00 1.00 O ATOM 0 H GLU A 26 -10.697 -6.047 -0.747 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.332 -5.943 1.709 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.750 -8.002 0.005 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.715 -8.628 1.273 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -10.916 -7.285 2.968 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.895 -6.538 1.722 1.00 1.00 H new ATOM 380 N GLU A 27 -7.720 -7.655 -0.620 1.00 1.00 N ATOM 381 CA GLU A 27 -6.404 -8.172 -0.955 1.00 1.00 C ATOM 382 C GLU A 27 -5.409 -7.024 -1.088 1.00 1.00 C ATOM 383 O GLU A 27 -4.297 -7.077 -0.555 1.00 1.00 O ATOM 384 CB GLU A 27 -6.474 -8.960 -2.272 1.00 1.00 C ATOM 385 CG GLU A 27 -5.332 -9.969 -2.343 1.00 1.00 C ATOM 386 CD GLU A 27 -5.585 -11.110 -1.365 1.00 1.00 C ATOM 387 OE1 GLU A 27 -6.665 -11.150 -0.799 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.694 -11.920 -1.195 1.00 1.00 O ATOM 0 H GLU A 27 -8.440 -7.816 -1.325 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.071 -8.837 -0.158 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.431 -9.477 -2.345 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.417 -8.275 -3.118 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.244 -10.360 -3.356 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.387 -9.479 -2.107 1.00 1.00 H new ATOM 395 N ALA A 28 -5.819 -5.985 -1.804 1.00 1.00 N ATOM 396 CA ALA A 28 -4.964 -4.831 -2.010 1.00 1.00 C ATOM 397 C ALA A 28 -4.514 -4.257 -0.677 1.00 1.00 C ATOM 398 O ALA A 28 -3.343 -3.929 -0.505 1.00 1.00 O ATOM 399 CB ALA A 28 -5.712 -3.758 -2.803 1.00 1.00 C ATOM 0 H ALA A 28 -6.735 -5.921 -2.249 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.086 -5.150 -2.572 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.062 -2.896 -2.952 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.008 -4.161 -3.771 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.600 -3.451 -2.251 1.00 1.00 H new ATOM 405 N LEU A 29 -5.443 -4.130 0.264 1.00 1.00 N ATOM 406 CA LEU A 29 -5.112 -3.571 1.573 1.00 1.00 C ATOM 407 C LEU A 29 -4.036 -4.394 2.258 1.00 1.00 C ATOM 408 O LEU A 29 -3.080 -3.845 2.804 1.00 1.00 O ATOM 409 CB LEU A 29 -6.389 -3.549 2.443 1.00 1.00 C ATOM 410 CG LEU A 29 -6.558 -2.215 3.152 1.00 1.00 C ATOM 411 CD1 LEU A 29 -7.975 -2.091 3.697 1.00 1.00 C ATOM 412 CD2 LEU A 29 -5.562 -2.112 4.300 1.00 1.00 C ATOM 0 H LEU A 29 -6.419 -4.402 0.150 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.730 -2.559 1.441 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.260 -3.742 1.817 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.342 -4.351 3.180 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.376 -1.410 2.440 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.087 -1.132 4.203 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -8.688 -2.153 2.875 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -8.165 -2.899 4.403 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -5.687 -1.154 4.805 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -5.738 -2.922 5.008 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -4.547 -2.186 3.909 1.00 1.00 H new ATOM 424 N ARG A 30 -4.204 -5.705 2.249 1.00 1.00 N ATOM 425 CA ARG A 30 -3.225 -6.562 2.898 1.00 1.00 C ATOM 426 C ARG A 30 -1.842 -6.345 2.287 1.00 1.00 C ATOM 427 O ARG A 30 -0.835 -6.263 2.998 1.00 1.00 O ATOM 428 CB ARG A 30 -3.638 -8.026 2.743 1.00 1.00 C ATOM 429 CG ARG A 30 -4.863 -8.306 3.616 1.00 1.00 C ATOM 430 CD ARG A 30 -5.331 -9.745 3.397 1.00 1.00 C ATOM 431 NE ARG A 30 -4.302 -10.680 3.843 1.00 1.00 N ATOM 432 CZ ARG A 30 -4.206 -11.040 5.119 1.00 1.00 C ATOM 433 NH1 ARG A 30 -5.037 -10.550 5.999 1.00 1.00 N ATOM 434 NH2 ARG A 30 -3.280 -11.880 5.493 1.00 1.00 N ATOM 0 H ARG A 30 -4.987 -6.191 1.812 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.183 -6.309 3.957 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.865 -8.242 1.699 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -2.815 -8.680 3.032 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.617 -8.149 4.666 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -5.665 -7.610 3.369 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.257 -9.922 3.945 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.549 -9.908 2.342 1.00 1.00 H new ATOM 0 HE ARG A 30 -3.645 -11.064 3.163 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.759 -9.891 5.707 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -4.964 -10.826 6.978 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -2.629 -12.261 4.806 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -3.207 -12.156 6.472 1.00 1.00 H new ATOM 448 N LEU A 31 -1.800 -6.251 0.965 1.00 1.00 N ATOM 449 CA LEU A 31 -0.539 -6.046 0.269 1.00 1.00 C ATOM 450 C LEU A 31 0.039 -4.674 0.593 1.00 1.00 C ATOM 451 O LEU A 31 1.248 -4.529 0.776 1.00 1.00 O ATOM 452 CB LEU A 31 -0.754 -6.177 -1.239 1.00 1.00 C ATOM 453 CG LEU A 31 -1.287 -7.579 -1.554 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.812 -7.608 -2.990 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.186 -8.636 -1.385 1.00 1.00 C ATOM 0 H LEU A 31 -2.617 -6.313 0.358 1.00 1.00 H new ATOM 0 HA LEU A 31 0.169 -6.805 0.602 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.459 -5.421 -1.585 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.183 -6.004 -1.768 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.093 -7.811 -0.858 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.192 -8.604 -3.218 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.615 -6.879 -3.099 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.003 -7.362 -3.678 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.590 -9.622 -1.614 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.638 -8.415 -2.063 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.177 -8.623 -0.357 1.00 1.00 H new ATOM 467 N TYR A 32 -0.825 -3.666 0.651 1.00 1.00 N ATOM 468 CA TYR A 32 -0.375 -2.310 0.937 1.00 1.00 C ATOM 469 C TYR A 32 0.311 -2.243 2.298 1.00 1.00 C ATOM 470 O TYR A 32 1.408 -1.695 2.427 1.00 1.00 O ATOM 471 CB TYR A 32 -1.579 -1.344 0.916 1.00 1.00 C ATOM 472 CG TYR A 32 -1.873 -0.882 -0.498 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.894 -0.195 -1.225 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.123 -1.136 -1.082 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.158 0.228 -2.527 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.383 -0.713 -2.386 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.400 -0.035 -3.106 1.00 1.00 C ATOM 478 OH TYR A 32 -2.652 0.372 -4.392 1.00 1.00 O ATOM 0 H TYR A 32 -1.830 -3.761 0.505 1.00 1.00 H new ATOM 0 HA TYR A 32 0.343 -2.017 0.171 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.456 -1.840 1.331 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.370 -0.482 1.549 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.067 0.008 -0.777 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.884 -1.659 -0.522 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.402 0.759 -3.087 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.344 -0.910 -2.837 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.562 0.111 -4.645 1.00 1.00 H new ATOM 488 N GLN A 33 -0.341 -2.790 3.309 1.00 1.00 N ATOM 489 CA GLN A 33 0.217 -2.771 4.651 1.00 1.00 C ATOM 490 C GLN A 33 1.547 -3.509 4.685 1.00 1.00 C ATOM 491 O GLN A 33 2.525 -3.030 5.267 1.00 1.00 O ATOM 492 CB GLN A 33 -0.764 -3.428 5.627 1.00 1.00 C ATOM 493 CG GLN A 33 -1.994 -2.539 5.796 1.00 1.00 C ATOM 494 CD GLN A 33 -3.018 -3.226 6.696 1.00 1.00 C ATOM 495 OE1 GLN A 33 -2.749 -4.298 7.239 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.185 -2.672 6.885 1.00 1.00 N ATOM 0 H GLN A 33 -1.249 -3.249 3.229 1.00 1.00 H new ATOM 0 HA GLN A 33 0.385 -1.735 4.946 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.060 -4.409 5.255 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.282 -3.586 6.592 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -1.704 -1.581 6.228 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.437 -2.329 4.822 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.407 -1.784 6.435 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -4.875 -3.127 7.483 1.00 1.00 H new ATOM 505 N HIS A 34 1.582 -4.677 4.060 1.00 1.00 N ATOM 506 CA HIS A 34 2.808 -5.467 4.036 1.00 1.00 C ATOM 507 C HIS A 34 3.934 -4.678 3.365 1.00 1.00 C ATOM 508 O HIS A 34 5.035 -4.562 3.900 1.00 1.00 O ATOM 509 CB HIS A 34 2.558 -6.780 3.271 1.00 1.00 C ATOM 510 CG HIS A 34 1.962 -7.803 4.194 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.690 -8.319 4.007 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.454 -8.410 5.316 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.461 -9.197 4.999 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.505 -9.291 5.826 1.00 1.00 N ATOM 0 H HIS A 34 0.791 -5.095 3.570 1.00 1.00 H new ATOM 0 HA HIS A 34 3.105 -5.695 5.060 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.887 -6.600 2.431 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.494 -7.153 2.856 1.00 1.00 H new ATOM 0 HD1 HIS A 34 0.045 -8.077 3.255 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.431 -8.233 5.742 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.455 -9.758 5.113 1.00 1.00 H new ATOM 523 N ALA A 35 3.644 -4.127 2.202 1.00 1.00 N ATOM 524 CA ALA A 35 4.641 -3.351 1.474 1.00 1.00 C ATOM 525 C ALA A 35 5.234 -2.265 2.369 1.00 1.00 C ATOM 526 O ALA A 35 6.453 -2.120 2.460 1.00 1.00 O ATOM 527 CB ALA A 35 3.999 -2.699 0.236 1.00 1.00 C ATOM 0 H ALA A 35 2.737 -4.198 1.741 1.00 1.00 H new ATOM 0 HA ALA A 35 5.438 -4.025 1.160 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.751 -2.121 -0.302 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.601 -3.474 -0.418 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.191 -2.039 0.550 1.00 1.00 H new ATOM 533 N VAL A 36 4.364 -1.503 3.023 1.00 1.00 N ATOM 534 CA VAL A 36 4.820 -0.420 3.884 1.00 1.00 C ATOM 535 C VAL A 36 5.777 -0.951 4.941 1.00 1.00 C ATOM 536 O VAL A 36 6.826 -0.359 5.191 1.00 1.00 O ATOM 537 CB VAL A 36 3.612 0.263 4.557 1.00 1.00 C ATOM 538 CG1 VAL A 36 4.105 1.210 5.667 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.798 1.055 3.497 1.00 1.00 C ATOM 0 H VAL A 36 3.351 -1.613 2.974 1.00 1.00 H new ATOM 0 HA VAL A 36 5.348 0.313 3.274 1.00 1.00 H new ATOM 0 HB VAL A 36 2.967 -0.496 5.000 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.250 1.691 6.141 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.659 0.640 6.412 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.755 1.970 5.234 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.946 1.536 3.977 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.434 1.814 3.043 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.442 0.371 2.726 1.00 1.00 H new ATOM 549 N GLU A 37 5.411 -2.057 5.560 1.00 1.00 N ATOM 550 CA GLU A 37 6.256 -2.637 6.594 1.00 1.00 C ATOM 551 C GLU A 37 7.660 -2.897 6.060 1.00 1.00 C ATOM 552 O GLU A 37 8.656 -2.517 6.674 1.00 1.00 O ATOM 553 CB GLU A 37 5.643 -3.958 7.065 1.00 1.00 C ATOM 554 CG GLU A 37 6.136 -4.286 8.475 1.00 1.00 C ATOM 555 CD GLU A 37 5.495 -3.336 9.482 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.634 -2.572 9.079 1.00 1.00 O ATOM 557 OE2 GLU A 37 5.876 -3.386 10.640 1.00 1.00 O ATOM 0 H GLU A 37 4.548 -2.568 5.371 1.00 1.00 H new ATOM 0 HA GLU A 37 6.322 -1.935 7.425 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.555 -3.887 7.058 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.915 -4.760 6.379 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.888 -5.317 8.726 1.00 1.00 H new ATOM 0 HG3 GLU A 37 7.222 -4.199 8.520 1.00 1.00 H new ATOM 564 N TYR A 38 7.733 -3.548 4.905 1.00 1.00 N ATOM 565 CA TYR A 38 9.021 -3.852 4.306 1.00 1.00 C ATOM 566 C TYR A 38 9.763 -2.569 3.937 1.00 1.00 C ATOM 567 O TYR A 38 10.973 -2.468 4.124 1.00 1.00 O ATOM 568 CB TYR A 38 8.844 -4.730 3.057 1.00 1.00 C ATOM 569 CG TYR A 38 8.713 -6.186 3.451 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.561 -6.636 4.097 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.747 -7.081 3.166 1.00 1.00 C ATOM 572 CE1 TYR A 38 7.441 -7.978 4.460 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.629 -8.425 3.526 1.00 1.00 C ATOM 574 CZ TYR A 38 8.475 -8.875 4.173 1.00 1.00 C ATOM 575 OH TYR A 38 8.358 -10.190 4.534 1.00 1.00 O ATOM 0 H TYR A 38 6.925 -3.871 4.372 1.00 1.00 H new ATOM 0 HA TYR A 38 9.612 -4.399 5.041 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.958 -4.415 2.505 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.697 -4.602 2.391 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.761 -5.945 4.316 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.639 -6.733 2.666 1.00 1.00 H new ATOM 0 HE1 TYR A 38 6.550 -8.324 4.962 1.00 1.00 H new ATOM 0 HE2 TYR A 38 10.429 -9.116 3.305 1.00 1.00 H new ATOM 0 HH TYR A 38 9.163 -10.677 4.260 1.00 1.00 H new ATOM 585 N PHE A 39 9.036 -1.595 3.418 1.00 1.00 N ATOM 586 CA PHE A 39 9.657 -0.333 3.031 1.00 1.00 C ATOM 587 C PHE A 39 10.281 0.348 4.257 1.00 1.00 C ATOM 588 O PHE A 39 11.454 0.759 4.242 1.00 1.00 O ATOM 589 CB PHE A 39 8.579 0.587 2.408 1.00 1.00 C ATOM 590 CG PHE A 39 8.436 0.318 0.924 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.519 0.552 0.083 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.229 -0.163 0.391 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.411 0.304 -1.285 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.122 -0.412 -0.982 1.00 1.00 C ATOM 595 CZ PHE A 39 8.217 -0.180 -1.817 1.00 1.00 C ATOM 0 H PHE A 39 8.030 -1.648 3.255 1.00 1.00 H new ATOM 0 HA PHE A 39 10.445 -0.523 2.302 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.623 0.424 2.906 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.848 1.631 2.569 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.446 0.927 0.491 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.384 -0.341 1.040 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.255 0.487 -1.934 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.195 -0.783 -1.395 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.139 -0.376 -2.876 1.00 1.00 H new ATOM 605 N LEU A 40 9.492 0.465 5.315 1.00 1.00 N ATOM 606 CA LEU A 40 9.959 1.098 6.530 1.00 1.00 C ATOM 607 C LEU A 40 11.106 0.303 7.118 1.00 1.00 C ATOM 608 O LEU A 40 12.109 0.863 7.544 1.00 1.00 O ATOM 609 CB LEU A 40 8.821 1.184 7.550 1.00 1.00 C ATOM 610 CG LEU A 40 7.725 2.134 7.034 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.472 1.983 7.902 1.00 1.00 C ATOM 612 CD2 LEU A 40 8.206 3.601 7.071 1.00 1.00 C ATOM 0 H LEU A 40 8.529 0.130 5.353 1.00 1.00 H new ATOM 0 HA LEU A 40 10.302 2.105 6.291 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.402 0.193 7.725 1.00 1.00 H new ATOM 0 HB3 LEU A 40 9.204 1.542 8.506 1.00 1.00 H new ATOM 0 HG LEU A 40 7.496 1.873 6.001 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.694 2.655 7.538 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.116 0.954 7.851 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.713 2.232 8.935 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.414 4.253 6.702 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.455 3.877 8.096 1.00 1.00 H new ATOM 0 HD23 LEU A 40 9.089 3.710 6.442 1.00 1.00 H new ATOM 624 N HIS A 41 10.958 -1.012 7.109 1.00 1.00 N ATOM 625 CA HIS A 41 11.995 -1.887 7.641 1.00 1.00 C ATOM 626 C HIS A 41 13.280 -1.782 6.822 1.00 1.00 C ATOM 627 O HIS A 41 14.365 -2.017 7.331 1.00 1.00 O ATOM 628 CB HIS A 41 11.506 -3.341 7.649 1.00 1.00 C ATOM 629 CG HIS A 41 12.310 -4.141 8.648 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.065 -4.084 10.015 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.361 -5.011 8.494 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.950 -4.899 10.619 1.00 1.00 C ATOM 633 NE2 HIS A 41 13.763 -5.488 9.738 1.00 1.00 N ATOM 0 H HIS A 41 10.138 -1.496 6.743 1.00 1.00 H new ATOM 0 HA HIS A 41 12.210 -1.570 8.661 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.447 -3.378 7.906 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.608 -3.775 6.654 1.00 1.00 H new ATOM 0 HD2 HIS A 41 13.808 -5.284 7.550 1.00 1.00 H new ATOM 0 HE1 HIS A 41 12.997 -5.057 11.686 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.517 -6.146 9.935 1.00 1.00 H new ATOM 642 N ALA A 42 13.144 -1.452 5.549 1.00 1.00 N ATOM 643 CA ALA A 42 14.295 -1.339 4.670 1.00 1.00 C ATOM 644 C ALA A 42 15.113 -0.086 4.952 1.00 1.00 C ATOM 645 O ALA A 42 16.316 -0.148 5.068 1.00 1.00 O ATOM 646 CB ALA A 42 13.841 -1.286 3.224 1.00 1.00 C ATOM 0 H ALA A 42 12.248 -1.258 5.101 1.00 1.00 H new ATOM 0 HA ALA A 42 14.918 -2.215 4.853 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.711 -1.201 2.572 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.293 -2.196 2.981 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.193 -0.422 3.078 1.00 1.00 H new ATOM 652 N ILE A 43 14.460 1.051 5.084 1.00 1.00 N ATOM 653 CA ILE A 43 15.183 2.279 5.356 1.00 1.00 C ATOM 654 C ILE A 43 15.976 2.176 6.655 1.00 1.00 C ATOM 655 O ILE A 43 17.028 2.796 6.801 1.00 1.00 O ATOM 656 CB ILE A 43 14.197 3.445 5.422 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.983 3.047 6.246 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.722 3.786 4.015 1.00 1.00 C ATOM 659 CD1 ILE A 43 12.002 4.214 6.349 1.00 1.00 C ATOM 0 H ILE A 43 13.448 1.152 5.009 1.00 1.00 H new ATOM 0 HA ILE A 43 15.895 2.451 4.549 1.00 1.00 H new ATOM 0 HB ILE A 43 14.695 4.302 5.876 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.490 2.189 5.788 1.00 1.00 H new ATOM 0 HG13 ILE A 43 13.298 2.739 7.243 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.019 4.617 4.060 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.577 4.067 3.400 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.230 2.918 3.577 1.00 1.00 H new ATOM 0 HD11 ILE A 43 11.139 3.912 6.942 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.493 5.061 6.828 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.673 4.502 5.350 1.00 1.00 H new ATOM 671 N LYS A 44 15.477 1.374 7.588 1.00 1.00 N ATOM 672 CA LYS A 44 16.184 1.183 8.878 1.00 1.00 C ATOM 673 C LYS A 44 17.281 0.121 8.789 1.00 1.00 C ATOM 674 O LYS A 44 18.355 0.275 9.371 1.00 1.00 O ATOM 675 CB LYS A 44 15.204 0.775 10.003 1.00 1.00 C ATOM 676 CG LYS A 44 13.814 0.749 9.436 1.00 1.00 C ATOM 677 CD LYS A 44 12.806 0.291 10.472 1.00 1.00 C ATOM 678 CE LYS A 44 12.792 1.276 11.639 1.00 1.00 C ATOM 679 NZ LYS A 44 11.488 1.188 12.334 1.00 1.00 N ATOM 0 H LYS A 44 14.607 0.850 7.494 1.00 1.00 H new ATOM 0 HA LYS A 44 16.640 2.145 9.111 1.00 1.00 H new ATOM 0 HB2 LYS A 44 15.470 -0.205 10.400 1.00 1.00 H new ATOM 0 HB3 LYS A 44 15.262 1.481 10.831 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.546 1.743 9.079 1.00 1.00 H new ATOM 0 HG3 LYS A 44 13.782 0.082 8.575 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.814 0.226 10.026 1.00 1.00 H new ATOM 0 HD3 LYS A 44 13.062 -0.707 10.828 1.00 1.00 H new ATOM 0 HE2 LYS A 44 13.603 1.050 12.331 1.00 1.00 H new ATOM 0 HE3 LYS A 44 12.957 2.291 11.276 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.473 1.857 13.130 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.724 1.424 11.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.350 0.221 12.692 1.00 1.00 H new ATOM 693 N TYR A 45 16.984 -0.975 8.095 1.00 1.00 N ATOM 694 CA TYR A 45 17.928 -2.089 7.976 1.00 1.00 C ATOM 695 C TYR A 45 18.737 -1.992 6.692 1.00 1.00 C ATOM 696 O TYR A 45 19.718 -2.711 6.518 1.00 1.00 O ATOM 697 CB TYR A 45 17.148 -3.417 7.983 1.00 1.00 C ATOM 698 CG TYR A 45 16.744 -3.762 9.398 1.00 1.00 C ATOM 699 CD1 TYR A 45 15.675 -3.095 10.013 1.00 1.00 C ATOM 700 CD2 TYR A 45 17.444 -4.748 10.098 1.00 1.00 C ATOM 701 CE1 TYR A 45 15.311 -3.416 11.326 1.00 1.00 C ATOM 702 CE2 TYR A 45 17.080 -5.069 11.411 1.00 1.00 C ATOM 703 CZ TYR A 45 16.014 -4.402 12.025 1.00 1.00 C ATOM 704 OH TYR A 45 15.657 -4.716 13.319 1.00 1.00 O ATOM 0 H TYR A 45 16.100 -1.118 7.607 1.00 1.00 H new ATOM 0 HA TYR A 45 18.616 -2.047 8.820 1.00 1.00 H new ATOM 0 HB2 TYR A 45 16.263 -3.334 7.352 1.00 1.00 H new ATOM 0 HB3 TYR A 45 17.764 -4.214 7.566 1.00 1.00 H new ATOM 0 HD1 TYR A 45 15.132 -2.333 9.473 1.00 1.00 H new ATOM 0 HD2 TYR A 45 18.267 -5.263 9.625 1.00 1.00 H new ATOM 0 HE1 TYR A 45 14.487 -2.902 11.799 1.00 1.00 H new ATOM 0 HE2 TYR A 45 17.622 -5.832 11.950 1.00 1.00 H new ATOM 0 HH TYR A 45 16.246 -5.422 13.659 1.00 1.00 H new ATOM 714 N GLU A 46 18.324 -1.105 5.797 1.00 1.00 N ATOM 715 CA GLU A 46 19.030 -0.925 4.525 1.00 1.00 C ATOM 716 C GLU A 46 19.452 0.517 4.353 1.00 1.00 C ATOM 717 O GLU A 46 19.495 1.006 3.222 1.00 1.00 O ATOM 718 CB GLU A 46 18.142 -1.312 3.342 1.00 1.00 C ATOM 719 CG GLU A 46 17.624 -2.729 3.550 1.00 1.00 C ATOM 720 CD GLU A 46 18.787 -3.710 3.503 1.00 1.00 C ATOM 721 OE1 GLU A 46 19.538 -3.662 2.544 1.00 1.00 O ATOM 722 OE2 GLU A 46 18.912 -4.492 4.430 1.00 1.00 O ATOM 0 H GLU A 46 17.511 -0.501 5.921 1.00 1.00 H new ATOM 0 HA GLU A 46 19.907 -1.572 4.547 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.308 -0.616 3.254 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.707 -1.251 2.412 1.00 1.00 H new ATOM 0 HG2 GLU A 46 17.112 -2.803 4.509 1.00 1.00 H new ATOM 0 HG3 GLU A 46 16.894 -2.977 2.779 1.00 1.00 H new ATOM 729 N ALA A 47 19.771 1.178 5.477 1.00 1.00 N ATOM 730 CA ALA A 47 20.218 2.592 5.481 1.00 1.00 C ATOM 731 C ALA A 47 20.671 3.029 4.089 1.00 1.00 C ATOM 732 O ALA A 47 21.854 2.979 3.761 1.00 1.00 O ATOM 733 CB ALA A 47 21.384 2.773 6.463 1.00 1.00 C ATOM 0 H ALA A 47 19.729 0.757 6.405 1.00 1.00 H new ATOM 0 HA ALA A 47 19.373 3.208 5.788 1.00 1.00 H new ATOM 0 HB1 ALA A 47 21.705 3.815 6.459 1.00 1.00 H new ATOM 0 HB2 ALA A 47 21.061 2.497 7.467 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.216 2.136 6.162 1.00 1.00 H new ATOM 739 N HIS A 48 19.705 3.435 3.273 1.00 1.00 N ATOM 740 CA HIS A 48 19.979 3.859 1.907 1.00 1.00 C ATOM 741 C HIS A 48 20.515 5.292 1.902 1.00 1.00 C ATOM 742 O HIS A 48 21.251 5.685 2.808 1.00 1.00 O ATOM 743 CB HIS A 48 18.676 3.741 1.074 1.00 1.00 C ATOM 744 CG HIS A 48 18.453 2.318 0.673 1.00 1.00 C ATOM 745 ND1 HIS A 48 19.012 1.770 -0.467 1.00 1.00 N ATOM 746 CD2 HIS A 48 17.714 1.323 1.250 1.00 1.00 C ATOM 747 CE1 HIS A 48 18.602 0.492 -0.540 1.00 1.00 C ATOM 748 NE2 HIS A 48 17.807 0.169 0.485 1.00 1.00 N ATOM 0 H HIS A 48 18.721 3.479 3.536 1.00 1.00 H new ATOM 0 HA HIS A 48 20.740 3.220 1.460 1.00 1.00 H new ATOM 0 HB2 HIS A 48 17.828 4.100 1.657 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.743 4.371 0.187 1.00 1.00 H new ATOM 0 HD2 HIS A 48 17.144 1.420 2.162 1.00 1.00 H new ATOM 0 HE1 HIS A 48 18.881 -0.190 -1.330 1.00 1.00 H new ATOM 0 HE2 HIS A 48 17.364 -0.732 0.666 1.00 1.00 H new ATOM 757 N SER A 49 20.132 6.076 0.895 1.00 1.00 N ATOM 758 CA SER A 49 20.559 7.464 0.794 1.00 1.00 C ATOM 759 C SER A 49 19.415 8.384 1.208 1.00 1.00 C ATOM 760 O SER A 49 18.242 8.019 1.109 1.00 1.00 O ATOM 761 CB SER A 49 20.976 7.765 -0.651 1.00 1.00 C ATOM 762 OG SER A 49 21.635 6.623 -1.188 1.00 1.00 O ATOM 0 H SER A 49 19.524 5.768 0.136 1.00 1.00 H new ATOM 0 HA SER A 49 21.408 7.634 1.456 1.00 1.00 H new ATOM 0 HB2 SER A 49 20.101 8.013 -1.252 1.00 1.00 H new ATOM 0 HB3 SER A 49 21.638 8.631 -0.680 1.00 1.00 H new ATOM 0 HG SER A 49 21.904 6.805 -2.113 1.00 1.00 H new ATOM 768 N ASP A 50 19.763 9.574 1.667 1.00 1.00 N ATOM 769 CA ASP A 50 18.761 10.539 2.093 1.00 1.00 C ATOM 770 C ASP A 50 17.666 10.669 1.037 1.00 1.00 C ATOM 771 O ASP A 50 16.477 10.773 1.362 1.00 1.00 O ATOM 772 CB ASP A 50 19.430 11.899 2.315 1.00 1.00 C ATOM 773 CG ASP A 50 20.298 11.862 3.569 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.172 10.911 4.323 1.00 1.00 O ATOM 775 OD2 ASP A 50 21.079 12.782 3.755 1.00 1.00 O ATOM 0 H ASP A 50 20.727 9.895 1.754 1.00 1.00 H new ATOM 0 HA ASP A 50 18.309 10.196 3.023 1.00 1.00 H new ATOM 0 HB2 ASP A 50 20.040 12.158 1.449 1.00 1.00 H new ATOM 0 HB3 ASP A 50 18.670 12.674 2.413 1.00 1.00 H new ATOM 780 N LYS A 51 18.070 10.648 -0.229 1.00 1.00 N ATOM 781 CA LYS A 51 17.119 10.758 -1.325 1.00 1.00 C ATOM 782 C LYS A 51 16.183 9.551 -1.322 1.00 1.00 C ATOM 783 O LYS A 51 14.964 9.678 -1.515 1.00 1.00 O ATOM 784 CB LYS A 51 17.872 10.812 -2.657 1.00 1.00 C ATOM 785 CG LYS A 51 18.860 11.980 -2.632 1.00 1.00 C ATOM 786 CD LYS A 51 19.686 11.979 -3.920 1.00 1.00 C ATOM 787 CE LYS A 51 20.733 13.091 -3.856 1.00 1.00 C ATOM 788 NZ LYS A 51 21.479 13.004 -2.568 1.00 1.00 N ATOM 0 H LYS A 51 19.044 10.556 -0.519 1.00 1.00 H new ATOM 0 HA LYS A 51 16.535 11.669 -1.199 1.00 1.00 H new ATOM 0 HB2 LYS A 51 18.403 9.875 -2.826 1.00 1.00 H new ATOM 0 HB3 LYS A 51 17.169 10.933 -3.481 1.00 1.00 H new ATOM 0 HG2 LYS A 51 18.322 12.923 -2.533 1.00 1.00 H new ATOM 0 HG3 LYS A 51 19.517 11.896 -1.766 1.00 1.00 H new ATOM 0 HD2 LYS A 51 20.174 11.013 -4.051 1.00 1.00 H new ATOM 0 HD3 LYS A 51 19.035 12.127 -4.782 1.00 1.00 H new ATOM 0 HE2 LYS A 51 21.424 13.002 -4.694 1.00 1.00 H new ATOM 0 HE3 LYS A 51 20.250 14.064 -3.943 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 22.430 13.407 -2.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 20.969 13.536 -1.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 21.559 12.008 -2.280 1.00 1.00 H new ATOM 802 N ALA A 52 16.754 8.368 -1.091 1.00 1.00 N ATOM 803 CA ALA A 52 15.953 7.154 -1.064 1.00 1.00 C ATOM 804 C ALA A 52 14.948 7.207 0.074 1.00 1.00 C ATOM 805 O ALA A 52 13.757 7.098 -0.141 1.00 1.00 O ATOM 806 CB ALA A 52 16.859 5.953 -0.834 1.00 1.00 C ATOM 0 H ALA A 52 17.751 8.230 -0.923 1.00 1.00 H new ATOM 0 HA ALA A 52 15.430 7.067 -2.016 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.259 5.043 -0.814 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.589 5.888 -1.641 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.379 6.066 0.117 1.00 1.00 H new ATOM 812 N LYS A 53 15.439 7.410 1.288 1.00 1.00 N ATOM 813 CA LYS A 53 14.546 7.463 2.437 1.00 1.00 C ATOM 814 C LYS A 53 13.368 8.377 2.160 1.00 1.00 C ATOM 815 O LYS A 53 12.221 7.973 2.310 1.00 1.00 O ATOM 816 CB LYS A 53 15.329 7.962 3.678 1.00 1.00 C ATOM 817 CG LYS A 53 15.717 6.785 4.633 1.00 1.00 C ATOM 818 CD LYS A 53 17.212 6.507 4.625 1.00 1.00 C ATOM 819 CE LYS A 53 17.532 5.659 3.460 1.00 1.00 C ATOM 820 NZ LYS A 53 16.889 4.334 3.646 1.00 1.00 N ATOM 0 H LYS A 53 16.428 7.538 1.501 1.00 1.00 H new ATOM 0 HA LYS A 53 14.161 6.462 2.630 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.232 8.480 3.354 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.724 8.687 4.222 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.399 7.023 5.648 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.180 5.885 4.334 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.770 7.442 4.575 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.508 6.008 5.548 1.00 1.00 H new ATOM 0 HE2 LYS A 53 17.175 6.127 2.542 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.611 5.545 3.361 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.622 3.603 3.742 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.302 4.350 4.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.292 4.119 2.822 1.00 1.00 H new ATOM 834 N GLU A 54 13.644 9.595 1.751 1.00 1.00 N ATOM 835 CA GLU A 54 12.568 10.517 1.477 1.00 1.00 C ATOM 836 C GLU A 54 11.580 9.878 0.520 1.00 1.00 C ATOM 837 O GLU A 54 10.366 10.005 0.692 1.00 1.00 O ATOM 838 CB GLU A 54 13.151 11.797 0.869 1.00 1.00 C ATOM 839 CG GLU A 54 13.580 12.747 1.980 1.00 1.00 C ATOM 840 CD GLU A 54 14.276 13.967 1.381 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.403 14.018 0.167 1.00 1.00 O ATOM 842 OE2 GLU A 54 14.675 14.830 2.144 1.00 1.00 O ATOM 0 H GLU A 54 14.584 9.964 1.604 1.00 1.00 H new ATOM 0 HA GLU A 54 12.045 10.765 2.401 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.004 11.554 0.236 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.409 12.279 0.232 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.711 13.061 2.558 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.253 12.235 2.668 1.00 1.00 H new ATOM 849 N SER A 55 12.096 9.185 -0.480 1.00 1.00 N ATOM 850 CA SER A 55 11.222 8.535 -1.434 1.00 1.00 C ATOM 851 C SER A 55 10.377 7.465 -0.746 1.00 1.00 C ATOM 852 O SER A 55 9.187 7.342 -1.007 1.00 1.00 O ATOM 853 CB SER A 55 12.042 7.893 -2.558 1.00 1.00 C ATOM 854 OG SER A 55 11.165 7.324 -3.521 1.00 1.00 O ATOM 0 H SER A 55 13.094 9.060 -0.649 1.00 1.00 H new ATOM 0 HA SER A 55 10.562 9.292 -1.858 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.680 8.640 -3.029 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.699 7.125 -2.150 1.00 1.00 H new ATOM 0 HG SER A 55 11.690 6.915 -4.240 1.00 1.00 H new ATOM 860 N ILE A 56 11.008 6.671 0.114 1.00 1.00 N ATOM 861 CA ILE A 56 10.299 5.597 0.789 1.00 1.00 C ATOM 862 C ILE A 56 9.285 6.156 1.782 1.00 1.00 C ATOM 863 O ILE A 56 8.155 5.693 1.858 1.00 1.00 O ATOM 864 CB ILE A 56 11.301 4.702 1.533 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.475 4.334 0.614 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.609 3.414 1.990 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.974 3.825 -0.717 1.00 1.00 C ATOM 0 H ILE A 56 11.996 6.751 0.356 1.00 1.00 H new ATOM 0 HA ILE A 56 9.767 5.012 0.039 1.00 1.00 H new ATOM 0 HB ILE A 56 11.675 5.250 2.397 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.109 5.207 0.459 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.092 3.572 1.091 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.325 2.784 2.517 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.783 3.662 2.657 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.225 2.879 1.121 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.823 3.570 -1.352 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.360 2.939 -0.560 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.378 4.598 -1.201 1.00 1.00 H new ATOM 879 N ARG A 57 9.713 7.150 2.541 1.00 1.00 N ATOM 880 CA ARG A 57 8.848 7.770 3.535 1.00 1.00 C ATOM 881 C ARG A 57 7.632 8.416 2.868 1.00 1.00 C ATOM 882 O ARG A 57 6.512 8.335 3.387 1.00 1.00 O ATOM 883 CB ARG A 57 9.621 8.839 4.306 1.00 1.00 C ATOM 884 CG ARG A 57 10.702 8.175 5.155 1.00 1.00 C ATOM 885 CD ARG A 57 11.401 9.236 6.013 1.00 1.00 C ATOM 886 NE ARG A 57 12.457 8.626 6.816 1.00 1.00 N ATOM 887 CZ ARG A 57 13.031 9.286 7.817 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.653 10.504 8.097 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.974 8.718 8.517 1.00 1.00 N ATOM 0 H ARG A 57 10.652 7.546 2.490 1.00 1.00 H new ATOM 0 HA ARG A 57 8.508 6.993 4.220 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.073 9.547 3.612 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.941 9.406 4.942 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.260 7.410 5.793 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.427 7.675 4.513 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.824 10.010 5.373 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.675 9.722 6.664 1.00 1.00 H new ATOM 0 HE ARG A 57 12.760 7.675 6.605 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.918 10.949 7.548 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.093 11.011 8.865 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.271 7.767 8.296 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.414 9.224 9.285 1.00 1.00 H new ATOM 903 N ALA A 58 7.850 9.026 1.704 1.00 1.00 N ATOM 904 CA ALA A 58 6.756 9.656 0.968 1.00 1.00 C ATOM 905 C ALA A 58 5.787 8.592 0.426 1.00 1.00 C ATOM 906 O ALA A 58 4.568 8.677 0.582 1.00 1.00 O ATOM 907 CB ALA A 58 7.334 10.480 -0.185 1.00 1.00 C ATOM 0 H ALA A 58 8.763 9.097 1.255 1.00 1.00 H new ATOM 0 HA ALA A 58 6.201 10.310 1.641 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.522 10.952 -0.738 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.997 11.248 0.213 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.896 9.827 -0.853 1.00 1.00 H new ATOM 913 N LYS A 59 6.329 7.582 -0.209 1.00 1.00 N ATOM 914 CA LYS A 59 5.491 6.527 -0.749 1.00 1.00 C ATOM 915 C LYS A 59 4.824 5.751 0.373 1.00 1.00 C ATOM 916 O LYS A 59 3.677 5.315 0.263 1.00 1.00 O ATOM 917 CB LYS A 59 6.334 5.613 -1.627 1.00 1.00 C ATOM 918 CG LYS A 59 6.902 6.418 -2.817 1.00 1.00 C ATOM 919 CD LYS A 59 5.804 6.903 -3.786 1.00 1.00 C ATOM 920 CE LYS A 59 4.983 5.719 -4.283 1.00 1.00 C ATOM 921 NZ LYS A 59 5.899 4.564 -4.496 1.00 1.00 N ATOM 0 H LYS A 59 7.330 7.464 -0.366 1.00 1.00 H new ATOM 0 HA LYS A 59 4.701 6.966 -1.359 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.148 5.182 -1.045 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.729 4.783 -1.992 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.453 7.279 -2.438 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.614 5.799 -3.362 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.155 7.620 -3.283 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.257 7.422 -4.631 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.212 5.462 -3.557 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.474 5.975 -5.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 5.430 3.688 -4.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 6.139 4.493 -5.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.769 4.704 -3.943 1.00 1.00 H new ATOM 935 N CYS A 60 5.558 5.566 1.446 1.00 1.00 N ATOM 936 CA CYS A 60 5.048 4.828 2.595 1.00 1.00 C ATOM 937 C CYS A 60 3.746 5.448 3.080 1.00 1.00 C ATOM 938 O CYS A 60 2.739 4.753 3.238 1.00 1.00 O ATOM 939 CB CYS A 60 6.077 4.857 3.730 1.00 1.00 C ATOM 940 SG CYS A 60 7.329 3.591 3.445 1.00 1.00 S ATOM 0 H CYS A 60 6.511 5.913 1.554 1.00 1.00 H new ATOM 0 HA CYS A 60 4.865 3.796 2.295 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.545 5.840 3.785 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.583 4.685 4.686 1.00 1.00 H new ATOM 0 HG CYS A 60 8.076 3.938 2.439 1.00 1.00 H new ATOM 946 N VAL A 61 3.765 6.759 3.302 1.00 1.00 N ATOM 947 CA VAL A 61 2.566 7.454 3.757 1.00 1.00 C ATOM 948 C VAL A 61 1.463 7.380 2.704 1.00 1.00 C ATOM 949 O VAL A 61 0.279 7.378 3.037 1.00 1.00 O ATOM 950 CB VAL A 61 2.891 8.915 4.079 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.488 9.600 2.861 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.614 9.648 4.490 1.00 1.00 C ATOM 0 H VAL A 61 4.584 7.354 3.177 1.00 1.00 H new ATOM 0 HA VAL A 61 2.209 6.963 4.662 1.00 1.00 H new ATOM 0 HB VAL A 61 3.611 8.941 4.897 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.715 10.638 3.102 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.404 9.087 2.568 1.00 1.00 H new ATOM 0 HG13 VAL A 61 2.774 9.566 2.038 1.00 1.00 H new ATOM 0 HG21 VAL A 61 1.849 10.688 4.719 1.00 1.00 H new ATOM 0 HG22 VAL A 61 0.894 9.610 3.673 1.00 1.00 H new ATOM 0 HG23 VAL A 61 1.188 9.170 5.372 1.00 1.00 H new ATOM 962 N GLN A 62 1.859 7.297 1.437 1.00 1.00 N ATOM 963 CA GLN A 62 0.877 7.194 0.358 1.00 1.00 C ATOM 964 C GLN A 62 0.173 5.841 0.396 1.00 1.00 C ATOM 965 O GLN A 62 -1.058 5.758 0.292 1.00 1.00 O ATOM 966 CB GLN A 62 1.564 7.388 -0.996 1.00 1.00 C ATOM 967 CG GLN A 62 1.951 8.862 -1.163 1.00 1.00 C ATOM 968 CD GLN A 62 2.798 9.045 -2.417 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.452 8.528 -3.479 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.892 9.756 -2.357 1.00 1.00 N ATOM 0 H GLN A 62 2.833 7.299 1.134 1.00 1.00 H new ATOM 0 HA GLN A 62 0.130 7.976 0.496 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.451 6.758 -1.060 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.897 7.082 -1.802 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.053 9.476 -1.229 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.505 9.201 -0.288 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.175 10.183 -1.475 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.463 9.885 -3.192 1.00 1.00 H new ATOM 979 N TYR A 63 0.955 4.781 0.545 1.00 1.00 N ATOM 980 CA TYR A 63 0.391 3.443 0.590 1.00 1.00 C ATOM 981 C TYR A 63 -0.541 3.294 1.776 1.00 1.00 C ATOM 982 O TYR A 63 -1.665 2.814 1.630 1.00 1.00 O ATOM 983 CB TYR A 63 1.513 2.400 0.676 1.00 1.00 C ATOM 984 CG TYR A 63 2.391 2.441 -0.566 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.823 2.438 -1.844 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.785 2.488 -0.433 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.635 2.487 -2.974 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.595 2.534 -1.569 1.00 1.00 C ATOM 989 CZ TYR A 63 4.015 2.537 -2.838 1.00 1.00 C ATOM 990 OH TYR A 63 4.803 2.569 -3.962 1.00 1.00 O ATOM 0 H TYR A 63 1.970 4.822 0.636 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.180 3.281 -0.324 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.121 2.586 1.562 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.082 1.405 0.789 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.749 2.397 -1.955 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.233 2.489 0.550 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.190 2.486 -3.958 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.670 2.567 -1.466 1.00 1.00 H new ATOM 0 HH TYR A 63 4.235 2.630 -4.758 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.078 3.699 2.949 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.913 3.583 4.129 1.00 1.00 C ATOM 1002 C LEU A 64 -2.183 4.393 3.941 1.00 1.00 C ATOM 1003 O LEU A 64 -3.279 3.886 4.163 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.136 4.093 5.352 1.00 1.00 C ATOM 1005 CG LEU A 64 0.600 2.943 6.035 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.591 3.512 7.054 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.410 1.990 6.725 1.00 1.00 C ATOM 0 H LEU A 64 0.847 4.100 3.106 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.184 2.539 4.285 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.577 4.857 5.044 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.822 4.563 6.056 1.00 1.00 H new ATOM 0 HG LEU A 64 1.148 2.368 5.288 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.119 2.694 7.544 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.310 4.153 6.544 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.051 4.094 7.801 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.130 1.175 7.207 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.978 2.542 7.474 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.093 1.582 5.980 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.053 5.656 3.550 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.223 6.488 3.377 1.00 1.00 C ATOM 1021 C ASP A 65 -4.245 5.745 2.542 1.00 1.00 C ATOM 1022 O ASP A 65 -5.436 5.789 2.809 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.810 7.779 2.676 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.017 8.682 2.458 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.116 8.253 2.759 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.819 9.792 1.990 1.00 1.00 O ATOM 0 H ASP A 65 -1.163 6.114 3.352 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.663 6.727 4.345 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.063 8.300 3.274 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.346 7.546 1.718 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.776 5.070 1.516 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.689 4.320 0.677 1.00 1.00 C ATOM 1033 C ARG A 66 -5.279 3.134 1.437 1.00 1.00 C ATOM 1034 O ARG A 66 -6.477 2.855 1.378 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.959 3.820 -0.557 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.661 5.000 -1.498 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.909 5.385 -2.302 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.486 4.200 -2.927 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.578 4.281 -3.670 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -7.160 5.432 -3.847 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -7.072 3.204 -4.218 1.00 1.00 N ATOM 0 H ARG A 66 -2.794 5.023 1.245 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.503 4.981 0.380 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.030 3.330 -0.268 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.565 3.075 -1.073 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.319 5.857 -0.917 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.853 4.733 -2.179 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.643 5.854 -1.647 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.648 6.118 -3.065 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.040 3.293 -2.789 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.774 6.271 -3.413 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -8.002 5.495 -4.420 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.616 2.303 -4.073 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.914 3.263 -4.791 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.412 2.400 2.120 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.839 1.209 2.851 1.00 1.00 C ATOM 1057 C ALA A 67 -5.852 1.556 3.945 1.00 1.00 C ATOM 1058 O ALA A 67 -6.812 0.820 4.168 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.609 0.513 3.479 1.00 1.00 C ATOM 0 H ALA A 67 -3.415 2.604 2.185 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.324 0.535 2.145 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -3.932 -0.375 4.023 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -2.914 0.223 2.691 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.114 1.199 4.166 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.622 2.657 4.634 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.502 3.061 5.706 1.00 1.00 C ATOM 1067 C GLU A 68 -7.902 3.402 5.199 1.00 1.00 C ATOM 1068 O GLU A 68 -8.893 2.942 5.765 1.00 1.00 O ATOM 1069 CB GLU A 68 -5.883 4.269 6.418 1.00 1.00 C ATOM 1070 CG GLU A 68 -6.069 5.547 5.603 1.00 1.00 C ATOM 1071 CD GLU A 68 -7.450 6.171 5.826 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -8.220 5.605 6.586 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -7.718 7.200 5.226 1.00 1.00 O ATOM 0 H GLU A 68 -4.835 3.284 4.469 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.612 2.228 6.400 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.342 4.390 7.399 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -4.820 4.092 6.583 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.297 6.267 5.875 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -5.938 5.325 4.544 1.00 1.00 H new ATOM 1080 N LYS A 69 -7.989 4.200 4.141 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.288 4.572 3.625 1.00 1.00 C ATOM 1082 C LYS A 69 -10.020 3.326 3.138 1.00 1.00 C ATOM 1083 O LYS A 69 -11.250 3.230 3.230 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.111 5.595 2.496 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.221 5.016 1.410 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.427 5.776 0.081 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.480 5.048 -0.763 1.00 1.00 C ATOM 1088 NZ LYS A 69 -10.590 4.596 0.124 1.00 1.00 N ATOM 0 H LYS A 69 -7.192 4.591 3.638 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.888 5.030 4.411 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.082 5.861 2.079 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.671 6.511 2.889 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.176 5.080 1.715 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.448 3.959 1.271 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.748 6.799 0.280 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.486 5.838 -0.465 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.864 5.711 -1.538 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.031 4.193 -1.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -11.435 4.399 -0.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -10.303 3.732 0.626 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -10.808 5.342 0.815 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.251 2.375 2.613 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.824 1.147 2.092 1.00 1.00 C ATOM 1104 C LEU A 70 -10.520 0.412 3.202 1.00 1.00 C ATOM 1105 O LEU A 70 -11.660 -0.033 3.060 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.718 0.279 1.455 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.381 0.816 0.044 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -7.074 0.197 -0.455 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.531 0.521 -0.965 1.00 1.00 C ATOM 0 H LEU A 70 -8.235 2.435 2.539 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.556 1.379 1.318 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.826 0.292 2.082 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.048 -0.758 1.391 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.264 1.897 0.115 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.846 0.581 -1.449 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.265 0.455 0.229 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.179 -0.887 -0.500 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.263 0.911 -1.947 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.688 -0.555 -1.033 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.448 1.001 -0.622 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.841 0.346 4.319 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.360 -0.289 5.524 1.00 1.00 C ATOM 1123 C LYS A 71 -11.470 0.547 6.130 1.00 1.00 C ATOM 1124 O LYS A 71 -12.310 0.045 6.871 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.257 -0.465 6.585 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.772 -1.383 7.713 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.866 -1.271 8.934 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.428 -1.548 8.526 1.00 1.00 C ATOM 1129 NZ LYS A 71 -6.604 -1.783 9.741 1.00 1.00 N ATOM 0 H LYS A 71 -8.903 0.732 4.428 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.741 -1.267 5.231 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.365 -0.895 6.130 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -8.971 0.505 6.992 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.792 -1.106 7.981 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -9.802 -2.416 7.367 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -8.946 -0.275 9.369 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.181 -1.980 9.700 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.386 -2.418 7.871 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.030 -0.705 7.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.620 -1.973 9.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -6.635 -0.940 10.350 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -6.980 -2.601 10.262 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.470 1.837 5.831 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.490 2.724 6.399 1.00 1.00 C ATOM 1145 C ASP A 72 -13.890 2.429 5.878 1.00 1.00 C ATOM 1146 O ASP A 72 -14.830 2.158 6.645 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.130 4.160 6.011 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.930 5.148 6.847 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.940 4.740 7.402 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.540 6.302 6.912 1.00 1.00 O ATOM 0 H ASP A 72 -10.796 2.291 5.215 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.503 2.571 7.478 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.063 4.328 6.159 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.334 4.320 4.952 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.040 2.484 4.568 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.350 2.229 3.987 1.00 1.00 C ATOM 1157 C TYR A 73 -15.650 0.739 4.004 1.00 1.00 C ATOM 1158 O TYR A 73 -16.800 0.345 4.127 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.460 2.794 2.561 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.770 1.896 1.574 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.400 0.721 1.143 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.510 2.237 1.089 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.760 -0.109 0.237 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.880 1.403 0.188 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.490 0.229 -0.235 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.850 -0.600 -1.104 1.00 1.00 O ATOM 0 H TYR A 73 -13.298 2.696 3.901 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.093 2.744 4.596 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.510 2.902 2.288 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.017 3.789 2.525 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.380 0.463 1.516 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.029 3.147 1.416 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.241 -1.014 -0.103 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.904 1.666 -0.192 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.283 -1.479 -1.097 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.600 -0.083 3.916 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.790 -1.528 3.944 1.00 1.00 C ATOM 1178 C LEU A 74 -15.430 -1.949 5.254 1.00 1.00 C ATOM 1179 O LEU A 74 -16.400 -2.718 5.268 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.430 -2.217 3.800 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.030 -2.343 2.314 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.520 -2.737 2.189 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.940 -3.394 1.614 1.00 1.00 C ATOM 0 H LEU A 74 -13.631 0.223 3.827 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.444 -1.817 3.122 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.671 -1.649 4.338 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.469 -3.207 4.255 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.168 -1.381 1.821 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.252 -2.822 1.136 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.904 -1.971 2.659 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.351 -3.693 2.685 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.655 -3.481 0.565 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.822 -4.361 2.103 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.981 -3.077 1.682 1.00 1.00 H new ATOM 1195 N ARG A 75 -14.890 -1.444 6.352 1.00 1.00 N ATOM 1196 CA ARG A 75 -15.420 -1.777 7.660 1.00 1.00 C ATOM 1197 C ARG A 75 -16.830 -1.241 7.797 1.00 1.00 C ATOM 1198 O ARG A 75 -17.720 -1.930 8.294 1.00 1.00 O ATOM 1199 CB ARG A 75 -14.520 -1.200 8.754 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.130 -1.481 10.119 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.130 -1.136 11.218 1.00 1.00 C ATOM 1202 NE ARG A 75 -14.740 -1.333 12.535 1.00 1.00 N ATOM 1203 CZ ARG A 75 -14.730 -2.524 13.131 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -14.180 -3.545 12.538 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -15.280 -2.670 14.308 1.00 1.00 N ATOM 0 H ARG A 75 -14.093 -0.808 6.362 1.00 1.00 H new ATOM 0 HA ARG A 75 -15.446 -2.861 7.769 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -13.526 -1.642 8.691 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.401 -0.126 8.612 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.040 -0.895 10.247 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -15.414 -2.531 10.191 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -13.243 -1.762 11.122 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.803 -0.102 11.111 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.181 -0.542 13.005 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -13.757 -3.433 11.617 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -14.173 -4.457 12.995 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -15.717 -1.872 14.769 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -15.273 -3.582 14.765 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.363 4.480 -7.820 1.00 1.00 N ATOM 1221 CA ILE B 168 15.163 4.042 -7.093 1.00 1.00 C ATOM 1222 C ILE B 168 13.914 4.486 -7.828 1.00 1.00 C ATOM 1223 O ILE B 168 13.638 5.680 -7.940 1.00 1.00 O ATOM 1224 CB ILE B 168 15.163 4.635 -5.680 1.00 1.00 C ATOM 1225 CG1 ILE B 168 16.307 4.019 -4.901 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.845 4.315 -4.969 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.511 4.767 -3.592 1.00 1.00 C ATOM 0 HA ILE B 168 15.171 2.954 -7.029 1.00 1.00 H new ATOM 0 HB ILE B 168 15.277 5.717 -5.741 1.00 1.00 H new ATOM 0 HG12 ILE B 168 16.096 2.969 -4.700 1.00 1.00 H new ATOM 0 HG13 ILE B 168 17.221 4.053 -5.494 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.859 4.742 -3.966 1.00 1.00 H new ATOM 0 HG22 ILE B 168 13.015 4.740 -5.533 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.721 3.234 -4.901 1.00 1.00 H new ATOM 0 HD11 ILE B 168 17.336 4.316 -3.040 1.00 1.00 H new ATOM 0 HD12 ILE B 168 16.743 5.811 -3.802 1.00 1.00 H new ATOM 0 HD13 ILE B 168 15.601 4.710 -2.995 1.00 1.00 H new ATOM 1239 N GLU B 169 13.151 3.514 -8.316 1.00 1.00 N ATOM 1240 CA GLU B 169 11.913 3.809 -9.030 1.00 1.00 C ATOM 1241 C GLU B 169 10.784 2.950 -8.498 1.00 1.00 C ATOM 1242 O GLU B 169 10.763 1.738 -8.711 1.00 1.00 O ATOM 1243 CB GLU B 169 12.086 3.544 -10.520 1.00 1.00 C ATOM 1244 CG GLU B 169 13.054 4.569 -11.110 1.00 1.00 C ATOM 1245 CD GLU B 169 13.327 4.252 -12.570 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.778 3.279 -13.060 1.00 1.00 O ATOM 1247 OE2 GLU B 169 14.085 4.987 -13.180 1.00 1.00 O ATOM 0 H GLU B 169 13.366 2.520 -8.231 1.00 1.00 H new ATOM 0 HA GLU B 169 11.671 4.861 -8.876 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.466 2.535 -10.679 1.00 1.00 H new ATOM 0 HB3 GLU B 169 11.122 3.605 -11.026 1.00 1.00 H new ATOM 0 HG2 GLU B 169 12.634 5.571 -11.020 1.00 1.00 H new ATOM 0 HG3 GLU B 169 13.988 4.564 -10.548 1.00 1.00 H new ATOM 1254 N LEU B 170 9.841 3.581 -7.800 1.00 1.00 N ATOM 1255 CA LEU B 170 8.708 2.852 -7.234 1.00 1.00 C ATOM 1256 C LEU B 170 7.426 3.122 -8.019 1.00 1.00 C ATOM 1257 O LEU B 170 7.350 4.082 -8.786 1.00 1.00 O ATOM 1258 CB LEU B 170 8.495 3.276 -5.782 1.00 1.00 C ATOM 1259 CG LEU B 170 9.819 3.115 -4.983 1.00 1.00 C ATOM 1260 CD1 LEU B 170 10.406 4.488 -4.658 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.564 2.355 -3.676 1.00 1.00 C ATOM 0 H LEU B 170 9.838 4.584 -7.614 1.00 1.00 H new ATOM 0 HA LEU B 170 8.935 1.787 -7.289 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.160 4.313 -5.742 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.711 2.670 -5.329 1.00 1.00 H new ATOM 0 HG LEU B 170 10.523 2.552 -5.596 1.00 1.00 H new ATOM 0 HD11 LEU B 170 11.333 4.364 -4.098 1.00 1.00 H new ATOM 0 HD12 LEU B 170 10.610 5.025 -5.584 1.00 1.00 H new ATOM 0 HD13 LEU B 170 9.694 5.056 -4.059 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.500 2.250 -3.128 1.00 1.00 H new ATOM 0 HD22 LEU B 170 8.847 2.907 -3.068 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.163 1.367 -3.902 1.00 1.00 H new ATOM 1273 N PRO B 171 6.418 2.303 -7.825 1.00 1.00 N ATOM 1274 CA PRO B 171 5.107 2.480 -8.520 1.00 1.00 C ATOM 1275 C PRO B 171 4.197 3.456 -7.777 1.00 1.00 C ATOM 1276 O PRO B 171 4.427 3.774 -6.611 1.00 1.00 O ATOM 1277 CB PRO B 171 4.497 1.064 -8.545 1.00 1.00 C ATOM 1278 CG PRO B 171 5.210 0.315 -7.470 1.00 1.00 C ATOM 1279 CD PRO B 171 6.611 0.894 -7.428 1.00 1.00 C ATOM 0 HA PRO B 171 5.229 2.904 -9.517 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.423 1.094 -8.359 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.639 0.590 -9.516 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.708 0.435 -6.510 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.234 -0.753 -7.686 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.048 0.814 -6.432 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.281 0.373 -8.112 1.00 1.00 H new ATOM 1287 N GLU B 172 3.153 3.919 -8.464 1.00 1.00 N ATOM 1288 CA GLU B 172 2.193 4.850 -7.869 1.00 1.00 C ATOM 1289 C GLU B 172 0.871 4.153 -7.615 1.00 1.00 C ATOM 1290 O GLU B 172 0.447 3.293 -8.387 1.00 1.00 O ATOM 1291 CB GLU B 172 1.971 6.042 -8.799 1.00 1.00 C ATOM 1292 CG GLU B 172 1.415 5.556 -10.140 1.00 1.00 C ATOM 1293 CD GLU B 172 -0.085 5.291 -10.040 1.00 1.00 C ATOM 1294 OE1 GLU B 172 -0.753 6.041 -9.349 1.00 1.00 O ATOM 1295 OE2 GLU B 172 -0.539 4.332 -10.640 1.00 1.00 O ATOM 0 H GLU B 172 2.950 3.666 -9.431 1.00 1.00 H new ATOM 0 HA GLU B 172 2.598 5.203 -6.921 1.00 1.00 H new ATOM 0 HB2 GLU B 172 1.278 6.748 -8.342 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.910 6.573 -8.955 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.606 6.303 -10.910 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.930 4.645 -10.444 1.00 1.00 H new ATOM 1302 N VAL B 173 0.229 4.518 -6.516 1.00 1.00 N ATOM 1303 CA VAL B 173 -1.037 3.900 -6.161 1.00 1.00 C ATOM 1304 C VAL B 173 -2.140 4.288 -7.165 1.00 1.00 C ATOM 1305 O VAL B 173 -2.277 5.462 -7.517 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.457 4.320 -4.726 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.043 3.248 -3.709 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.769 5.634 -4.363 1.00 1.00 C ATOM 0 H VAL B 173 0.559 5.229 -5.863 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.906 2.818 -6.193 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.540 4.439 -4.700 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.345 3.559 -2.709 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.528 2.304 -3.957 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.039 3.118 -3.737 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.062 5.932 -3.356 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.312 5.502 -4.402 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.066 6.408 -5.071 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.930 3.338 -7.612 1.00 1.00 N ATOM 1319 CA PRO B 174 -4.040 3.617 -8.567 1.00 1.00 C ATOM 1320 C PRO B 174 -5.196 4.359 -7.893 1.00 1.00 C ATOM 1321 O PRO B 174 -5.593 4.023 -6.777 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.465 2.217 -9.041 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.101 1.295 -7.926 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.875 1.908 -7.262 1.00 1.00 C ATOM 0 HA PRO B 174 -3.735 4.267 -9.387 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.534 2.180 -9.248 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.952 1.941 -9.962 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.922 1.197 -7.216 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.883 0.295 -8.301 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.897 1.764 -6.182 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.957 1.447 -7.626 1.00 1.00 H new ATOM 1332 N SER B 175 -5.740 5.363 -8.581 1.00 1.00 N ATOM 1333 CA SER B 175 -6.861 6.138 -8.038 1.00 1.00 C ATOM 1334 C SER B 175 -8.128 5.839 -8.815 1.00 1.00 C ATOM 1335 O SER B 175 -8.481 6.560 -9.750 1.00 1.00 O ATOM 1336 CB SER B 175 -6.551 7.629 -8.137 1.00 1.00 C ATOM 1337 OG SER B 175 -6.158 7.941 -9.468 1.00 1.00 O ATOM 0 H SER B 175 -5.428 5.658 -9.506 1.00 1.00 H new ATOM 0 HA SER B 175 -7.006 5.861 -6.994 1.00 1.00 H new ATOM 0 HB2 SER B 175 -7.428 8.214 -7.858 1.00 1.00 H new ATOM 0 HB3 SER B 175 -5.756 7.894 -7.440 1.00 1.00 H new ATOM 0 HG SER B 175 -6.840 7.621 -10.094 1.00 1.00 H new ATOM 1343 N GLU B 176 -8.817 4.771 -8.421 1.00 1.00 N ATOM 1344 CA GLU B 176 -10.050 4.391 -9.096 1.00 1.00 C ATOM 1345 C GLU B 176 -11.250 5.124 -8.478 1.00 1.00 C ATOM 1346 O GLU B 176 -11.120 5.758 -7.432 1.00 1.00 O ATOM 1347 CB GLU B 176 -10.260 2.869 -9.008 1.00 1.00 C ATOM 1348 CG GLU B 176 -9.499 2.168 -10.130 1.00 1.00 C ATOM 1349 CD GLU B 176 -9.787 0.677 -10.100 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -9.983 0.150 -9.022 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.803 0.080 -11.160 1.00 1.00 O ATOM 0 H GLU B 176 -8.546 4.162 -7.649 1.00 1.00 H new ATOM 0 HA GLU B 176 -9.969 4.676 -10.145 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -9.916 2.502 -8.041 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -11.323 2.636 -9.078 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -9.791 2.584 -11.094 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -8.429 2.342 -10.019 1.00 1.00 H new ATOM 1358 N PRO B 177 -12.410 5.022 -9.089 1.00 1.00 N ATOM 1359 CA PRO B 177 -13.650 5.667 -8.552 1.00 1.00 C ATOM 1360 C PRO B 177 -14.140 4.971 -7.291 1.00 1.00 C ATOM 1361 O PRO B 177 -15.330 4.668 -7.170 1.00 1.00 O ATOM 1362 CB PRO B 177 -14.670 5.500 -9.687 1.00 1.00 C ATOM 1363 CG PRO B 177 -13.860 5.447 -10.940 1.00 1.00 C ATOM 1364 CD PRO B 177 -12.490 4.879 -10.550 1.00 1.00 C ATOM 0 HA PRO B 177 -13.485 6.707 -8.271 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -15.256 4.590 -9.559 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -15.374 6.332 -9.709 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -14.342 4.817 -11.687 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -13.758 6.440 -11.378 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -12.398 3.835 -10.848 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -11.684 5.423 -11.043 1.00 1.00 H new ATOM 1372 N LEU B 178 -13.230 4.700 -6.363 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.580 4.016 -5.121 1.00 1.00 C ATOM 1374 C LEU B 178 -13.610 5.014 -3.957 1.00 1.00 C ATOM 1375 O LEU B 178 -12.850 5.982 -3.950 1.00 1.00 O ATOM 1376 CB LEU B 178 -12.580 2.874 -4.837 1.00 1.00 C ATOM 1377 CG LEU B 178 -11.200 3.236 -5.389 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -10.620 4.453 -4.635 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -10.270 2.033 -5.225 1.00 1.00 C ATOM 0 H LEU B 178 -12.243 4.943 -6.446 1.00 1.00 H new ATOM 0 HA LEU B 178 -14.574 3.581 -5.227 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -12.516 2.695 -3.764 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -12.932 1.949 -5.294 1.00 1.00 H new ATOM 0 HG LEU B 178 -11.290 3.496 -6.444 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -9.638 4.698 -5.040 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -11.286 5.307 -4.757 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -10.526 4.214 -3.576 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -9.283 2.280 -5.616 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -10.189 1.777 -4.169 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -10.675 1.183 -5.774 1.00 1.00 H new ATOM 1391 N PRO B 179 -14.460 4.797 -2.985 1.00 1.00 N ATOM 1392 CA PRO B 179 -14.580 5.711 -1.807 1.00 1.00 C ATOM 1393 C PRO B 179 -13.220 6.300 -1.406 1.00 1.00 C ATOM 1394 O PRO B 179 -12.210 5.609 -1.434 1.00 1.00 O ATOM 1395 CB PRO B 179 -15.130 4.801 -0.699 1.00 1.00 C ATOM 1396 CG PRO B 179 -15.870 3.705 -1.404 1.00 1.00 C ATOM 1397 CD PRO B 179 -15.240 3.560 -2.791 1.00 1.00 C ATOM 0 HA PRO B 179 -15.218 6.571 -2.012 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -14.323 4.398 -0.087 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -15.791 5.353 -0.031 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -15.797 2.771 -0.848 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -16.930 3.946 -1.485 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -14.602 2.678 -2.845 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -16.003 3.449 -3.562 1.00 1.00 H new TER 1405 PRO B 179