USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot -86:sc= 1.13 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.967 K(o=2.1,f=-0.87) USER MOD Set 1.3: A 113 MET CE :methyl 175:sc= 0 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot 134:sc= 0.00595 USER MOD Set 2.2: A 93 THR OG1 : rot -100:sc= 0.00657 USER MOD Set 3.1: A 73 THR OG1 : rot 177:sc= 0.106 USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.049) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 29:sc= 0.00834 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.00988 X(o=0.0099,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.0495 X(o=0.049,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.16) USER MOD Single : A 14 ASN : amide:sc= 0.00358 X(o=0.0036,f=-0.0013) USER MOD Single : A 19 MET CE :methyl -127:sc= -0.0156 (180deg=-0.542) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0.0469 (180deg=0.0242) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.512) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0102) USER MOD Single : A 60 GLN : amide:sc= 0.0813 K(o=0.081,f=-1.3) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 69 CYS SG : rot -150:sc= 0.121 USER MOD Single : A 74 MET CE :methyl 163:sc= -1.28 (180deg=-1.52) USER MOD Single : A 78 LYS NZ :NH3+ -122:sc= 0.00862 (180deg=-1.07) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= 0.0392 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.800 -10.709 13.098 1.00 0.00 N ATOM 2 CA SER A 2 9.308 -10.872 14.475 1.00 0.00 C ATOM 3 C SER A 2 8.763 -9.515 14.979 1.00 0.00 C ATOM 4 O SER A 2 9.524 -8.566 15.197 1.00 0.00 O ATOM 5 CB SER A 2 10.413 -11.427 15.400 1.00 0.00 C ATOM 6 OG SER A 2 10.807 -12.738 15.009 1.00 0.00 O ATOM 0 HA SER A 2 8.498 -11.602 14.488 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.277 -10.763 15.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.053 -11.445 16.429 1.00 0.00 H new ATOM 0 HG SER A 2 10.673 -12.846 14.044 1.00 0.00 H new ATOM 12 N PHE A 3 7.434 -9.441 15.171 1.00 0.00 N ATOM 13 CA PHE A 3 6.738 -8.184 15.575 1.00 0.00 C ATOM 14 C PHE A 3 6.865 -7.723 17.062 1.00 0.00 C ATOM 15 O PHE A 3 6.488 -6.580 17.331 1.00 0.00 O ATOM 16 CB PHE A 3 5.234 -8.290 15.197 1.00 0.00 C ATOM 17 CG PHE A 3 4.883 -8.165 13.705 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.860 -6.903 13.102 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.478 -9.284 12.971 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.411 -6.757 11.792 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.014 -9.134 11.668 1.00 0.00 C ATOM 22 CZ PHE A 3 3.978 -7.871 11.082 1.00 0.00 C ATOM 0 H PHE A 3 6.808 -10.238 15.054 1.00 0.00 H new ATOM 0 HA PHE A 3 7.268 -7.408 15.022 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.861 -9.250 15.554 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.692 -7.515 15.739 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.192 -6.037 13.655 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.525 -10.267 13.416 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.399 -5.781 11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.682 -9.997 11.111 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.612 -7.757 10.072 1.00 0.00 H new ATOM 32 N SER A 4 7.364 -8.540 18.017 1.00 0.00 N ATOM 33 CA SER A 4 7.374 -8.181 19.460 1.00 0.00 C ATOM 34 C SER A 4 8.441 -7.092 19.785 1.00 0.00 C ATOM 35 O SER A 4 9.646 -7.325 19.635 1.00 0.00 O ATOM 36 CB SER A 4 7.589 -9.463 20.299 1.00 0.00 C ATOM 37 OG SER A 4 7.358 -9.202 21.679 1.00 0.00 O ATOM 0 H SER A 4 7.767 -9.456 17.817 1.00 0.00 H new ATOM 0 HA SER A 4 6.410 -7.743 19.719 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.916 -10.247 19.954 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.605 -9.831 20.158 1.00 0.00 H new ATOM 0 HG SER A 4 7.497 -10.024 22.195 1.00 0.00 H new ATOM 43 N GLY A 5 7.971 -5.908 20.212 1.00 0.00 N ATOM 44 CA GLY A 5 8.858 -4.772 20.542 1.00 0.00 C ATOM 45 C GLY A 5 8.109 -3.441 20.766 1.00 0.00 C ATOM 46 O GLY A 5 6.941 -3.273 20.400 1.00 0.00 O ATOM 0 H GLY A 5 6.979 -5.709 20.338 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.425 -5.015 21.441 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.580 -4.641 19.736 1.00 0.00 H new ATOM 50 N LYS A 6 8.839 -2.467 21.336 1.00 0.00 N ATOM 51 CA LYS A 6 8.344 -1.072 21.513 1.00 0.00 C ATOM 52 C LYS A 6 8.689 -0.244 20.241 1.00 0.00 C ATOM 53 O LYS A 6 9.866 -0.097 19.895 1.00 0.00 O ATOM 54 CB LYS A 6 8.992 -0.414 22.760 1.00 0.00 C ATOM 55 CG LYS A 6 8.468 -0.913 24.123 1.00 0.00 C ATOM 56 CD LYS A 6 9.187 -0.237 25.307 1.00 0.00 C ATOM 57 CE LYS A 6 8.599 -0.639 26.668 1.00 0.00 C ATOM 58 NZ LYS A 6 9.346 -0.028 27.781 1.00 0.00 N ATOM 0 H LYS A 6 9.785 -2.613 21.689 1.00 0.00 H new ATOM 0 HA LYS A 6 7.264 -1.095 21.660 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.068 -0.583 22.720 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.836 0.663 22.703 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.398 -0.719 24.192 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.601 -1.993 24.188 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.245 -0.499 25.282 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.124 0.845 25.194 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.554 -0.333 26.719 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.619 -1.724 26.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.923 -0.320 28.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.338 -0.340 27.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.306 1.008 27.699 1.00 0.00 H new ATOM 72 N TYR A 7 7.656 0.287 19.561 1.00 0.00 N ATOM 73 CA TYR A 7 7.828 1.074 18.307 1.00 0.00 C ATOM 74 C TYR A 7 7.151 2.445 18.536 1.00 0.00 C ATOM 75 O TYR A 7 5.918 2.544 18.505 1.00 0.00 O ATOM 76 CB TYR A 7 7.234 0.378 17.044 1.00 0.00 C ATOM 77 CG TYR A 7 7.779 -1.015 16.683 1.00 0.00 C ATOM 78 CD1 TYR A 7 7.275 -2.145 17.333 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.734 -1.178 15.673 1.00 0.00 C ATOM 80 CE1 TYR A 7 7.748 -3.413 17.012 1.00 0.00 C ATOM 81 CE2 TYR A 7 9.184 -2.453 15.330 1.00 0.00 C ATOM 82 CZ TYR A 7 8.698 -3.568 16.007 1.00 0.00 C ATOM 83 OH TYR A 7 9.153 -4.822 15.695 1.00 0.00 O ATOM 0 H TYR A 7 6.684 0.189 19.855 1.00 0.00 H new ATOM 0 HA TYR A 7 8.894 1.174 18.102 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.156 0.293 17.181 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.396 1.035 16.190 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.513 -2.033 18.090 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.124 -0.313 15.157 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.378 -4.278 17.543 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.909 -2.575 14.539 1.00 0.00 H new ATOM 0 HH TYR A 7 9.812 -4.760 14.972 1.00 0.00 H new ATOM 93 N GLN A 8 7.956 3.504 18.753 1.00 0.00 N ATOM 94 CA GLN A 8 7.425 4.880 18.912 1.00 0.00 C ATOM 95 C GLN A 8 7.192 5.533 17.526 1.00 0.00 C ATOM 96 O GLN A 8 8.053 5.516 16.643 1.00 0.00 O ATOM 97 CB GLN A 8 8.308 5.753 19.844 1.00 0.00 C ATOM 98 CG GLN A 8 7.681 7.136 20.159 1.00 0.00 C ATOM 99 CD GLN A 8 8.224 7.860 21.399 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.428 8.041 21.574 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.324 8.321 22.256 1.00 0.00 N ATOM 0 H GLN A 8 8.971 3.438 18.823 1.00 0.00 H new ATOM 0 HA GLN A 8 6.459 4.810 19.411 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.479 5.218 20.778 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.282 5.900 19.378 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.826 7.783 19.294 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.606 7.005 20.282 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.331 8.158 22.089 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.625 8.838 23.082 1.00 0.00 H new ATOM 110 N LEU A 9 6.016 6.166 17.415 1.00 0.00 N ATOM 111 CA LEU A 9 5.620 7.003 16.259 1.00 0.00 C ATOM 112 C LEU A 9 6.575 8.215 16.058 1.00 0.00 C ATOM 113 O LEU A 9 6.935 8.903 17.016 1.00 0.00 O ATOM 114 CB LEU A 9 4.146 7.421 16.526 1.00 0.00 C ATOM 115 CG LEU A 9 3.399 8.217 15.423 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.311 7.457 14.085 1.00 0.00 C ATOM 117 CD2 LEU A 9 1.986 8.572 15.925 1.00 0.00 C ATOM 0 H LEU A 9 5.296 6.114 18.136 1.00 0.00 H new ATOM 0 HA LEU A 9 5.696 6.453 15.321 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.574 6.515 16.728 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.129 8.019 17.437 1.00 0.00 H new ATOM 0 HG LEU A 9 3.974 9.122 15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.778 8.066 13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.316 7.248 13.718 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.777 6.519 14.234 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.456 9.132 15.154 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.439 7.656 16.150 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.062 9.180 16.827 1.00 0.00 H new ATOM 129 N GLN A 10 6.997 8.418 14.802 1.00 0.00 N ATOM 130 CA GLN A 10 7.943 9.500 14.416 1.00 0.00 C ATOM 131 C GLN A 10 7.215 10.542 13.516 1.00 0.00 C ATOM 132 O GLN A 10 7.080 11.695 13.938 1.00 0.00 O ATOM 133 CB GLN A 10 9.251 8.942 13.776 1.00 0.00 C ATOM 134 CG GLN A 10 10.088 7.933 14.603 1.00 0.00 C ATOM 135 CD GLN A 10 10.634 8.448 15.950 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.282 9.491 16.027 1.00 0.00 O ATOM 137 NE2 GLN A 10 10.406 7.720 17.033 1.00 0.00 N ATOM 0 H GLN A 10 6.697 7.841 14.016 1.00 0.00 H new ATOM 0 HA GLN A 10 8.270 10.015 15.319 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.985 8.463 12.834 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.892 9.789 13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.473 7.054 14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.931 7.606 13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.868 6.856 16.963 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.768 8.023 17.937 1.00 0.00 H new ATOM 146 N SER A 11 6.756 10.149 12.306 1.00 0.00 N ATOM 147 CA SER A 11 6.081 11.060 11.345 1.00 0.00 C ATOM 148 C SER A 11 4.681 10.500 10.982 1.00 0.00 C ATOM 149 O SER A 11 4.544 9.338 10.580 1.00 0.00 O ATOM 150 CB SER A 11 6.975 11.209 10.094 1.00 0.00 C ATOM 151 OG SER A 11 6.401 12.110 9.154 1.00 0.00 O ATOM 0 H SER A 11 6.842 9.191 11.965 1.00 0.00 H new ATOM 0 HA SER A 11 5.935 12.044 11.790 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.961 11.567 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.117 10.234 9.627 1.00 0.00 H new ATOM 0 HG SER A 11 6.989 12.187 8.373 1.00 0.00 H new ATOM 157 N GLN A 12 3.654 11.367 11.081 1.00 0.00 N ATOM 158 CA GLN A 12 2.268 11.033 10.648 1.00 0.00 C ATOM 159 C GLN A 12 2.050 11.651 9.242 1.00 0.00 C ATOM 160 O GLN A 12 2.138 12.874 9.074 1.00 0.00 O ATOM 161 CB GLN A 12 1.153 11.521 11.622 1.00 0.00 C ATOM 162 CG GLN A 12 1.412 11.297 13.128 1.00 0.00 C ATOM 163 CD GLN A 12 0.168 11.275 14.026 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.613 10.325 13.999 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.020 12.281 14.867 1.00 0.00 N ATOM 0 H GLN A 12 3.752 12.310 11.458 1.00 0.00 H new ATOM 0 HA GLN A 12 2.182 9.946 10.638 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.997 12.587 11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.223 11.018 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.941 10.351 13.249 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.079 12.083 13.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.634 13.063 14.881 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.819 12.273 15.501 1.00 0.00 H new ATOM 174 N GLU A 13 1.751 10.806 8.240 1.00 0.00 N ATOM 175 CA GLU A 13 1.493 11.270 6.845 1.00 0.00 C ATOM 176 C GLU A 13 0.146 12.042 6.691 1.00 0.00 C ATOM 177 O GLU A 13 0.163 13.170 6.190 1.00 0.00 O ATOM 178 CB GLU A 13 1.646 10.069 5.876 1.00 0.00 C ATOM 179 CG GLU A 13 1.693 10.430 4.375 1.00 0.00 C ATOM 180 CD GLU A 13 1.933 9.206 3.488 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.108 8.842 3.264 1.00 0.00 O ATOM 182 OE2 GLU A 13 0.948 8.597 3.016 1.00 0.00 O ATOM 0 H GLU A 13 1.679 9.796 8.360 1.00 0.00 H new ATOM 0 HA GLU A 13 2.241 12.016 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.559 9.532 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.816 9.383 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.754 10.904 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.484 11.160 4.204 1.00 0.00 H new ATOM 189 N ASN A 14 -0.989 11.455 7.123 1.00 0.00 N ATOM 190 CA ASN A 14 -2.295 12.160 7.166 1.00 0.00 C ATOM 191 C ASN A 14 -3.024 11.764 8.474 1.00 0.00 C ATOM 192 O ASN A 14 -3.932 10.928 8.460 1.00 0.00 O ATOM 193 CB ASN A 14 -3.146 11.838 5.900 1.00 0.00 C ATOM 194 CG ASN A 14 -2.756 12.606 4.624 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.761 13.837 4.594 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.433 11.909 3.547 1.00 0.00 N ATOM 0 H ASN A 14 -1.031 10.490 7.449 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.137 13.239 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.072 10.770 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.192 12.048 6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.185 12.391 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.431 10.890 3.581 1.00 0.00 H new ATOM 203 N PHE A 15 -2.671 12.404 9.605 1.00 0.00 N ATOM 204 CA PHE A 15 -3.497 12.345 10.841 1.00 0.00 C ATOM 205 C PHE A 15 -4.735 13.289 10.754 1.00 0.00 C ATOM 206 O PHE A 15 -5.858 12.794 10.857 1.00 0.00 O ATOM 207 CB PHE A 15 -2.601 12.545 12.094 1.00 0.00 C ATOM 208 CG PHE A 15 -3.342 12.468 13.444 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.622 11.228 14.030 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.757 13.638 14.086 1.00 0.00 C ATOM 211 CE1 PHE A 15 -4.283 11.163 15.253 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.440 13.568 15.296 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.695 12.334 15.884 1.00 0.00 C ATOM 0 H PHE A 15 -1.825 12.967 9.695 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.931 11.351 10.944 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.815 11.790 12.084 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.111 13.516 12.020 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.324 10.318 13.531 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.547 14.600 13.641 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.476 10.205 15.712 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.773 14.474 15.780 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.213 12.284 16.830 1.00 0.00 H new ATOM 223 N GLU A 16 -4.553 14.616 10.586 1.00 0.00 N ATOM 224 CA GLU A 16 -5.682 15.596 10.644 1.00 0.00 C ATOM 225 C GLU A 16 -6.756 15.457 9.516 1.00 0.00 C ATOM 226 O GLU A 16 -7.950 15.572 9.815 1.00 0.00 O ATOM 227 CB GLU A 16 -5.173 17.059 10.760 1.00 0.00 C ATOM 228 CG GLU A 16 -4.296 17.363 12.000 1.00 0.00 C ATOM 229 CD GLU A 16 -4.080 18.861 12.228 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.965 19.512 12.826 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.024 19.393 11.817 1.00 0.00 O ATOM 0 H GLU A 16 -3.643 15.042 10.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.210 15.332 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.600 17.298 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.035 17.725 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.764 16.931 12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.328 16.876 11.882 1.00 0.00 H new ATOM 238 N ALA A 17 -6.352 15.173 8.259 1.00 0.00 N ATOM 239 CA ALA A 17 -7.290 14.804 7.162 1.00 0.00 C ATOM 240 C ALA A 17 -8.057 13.457 7.341 1.00 0.00 C ATOM 241 O ALA A 17 -9.264 13.419 7.087 1.00 0.00 O ATOM 242 CB ALA A 17 -6.514 14.817 5.828 1.00 0.00 C ATOM 0 H ALA A 17 -5.374 15.191 7.971 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.081 15.554 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.187 14.549 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.110 15.814 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.697 14.098 5.876 1.00 0.00 H new ATOM 248 N PHE A 18 -7.375 12.375 7.775 1.00 0.00 N ATOM 249 CA PHE A 18 -8.002 11.042 8.009 1.00 0.00 C ATOM 250 C PHE A 18 -9.019 11.015 9.186 1.00 0.00 C ATOM 251 O PHE A 18 -10.133 10.521 9.000 1.00 0.00 O ATOM 252 CB PHE A 18 -6.865 9.998 8.194 1.00 0.00 C ATOM 253 CG PHE A 18 -7.284 8.518 8.215 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.660 7.913 9.421 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.236 7.748 7.047 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.999 6.565 9.452 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.551 6.394 7.090 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.943 5.807 8.287 1.00 0.00 C ATOM 0 H PHE A 18 -6.375 12.394 7.975 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.606 10.793 7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.142 10.136 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.349 10.219 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.687 8.496 10.330 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.954 8.206 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.306 6.106 10.380 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.491 5.798 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.205 4.760 8.313 1.00 0.00 H new ATOM 268 N MET A 19 -8.630 11.520 10.374 1.00 0.00 N ATOM 269 CA MET A 19 -9.492 11.537 11.587 1.00 0.00 C ATOM 270 C MET A 19 -10.814 12.355 11.455 1.00 0.00 C ATOM 271 O MET A 19 -11.859 11.889 11.922 1.00 0.00 O ATOM 272 CB MET A 19 -8.675 11.988 12.824 1.00 0.00 C ATOM 273 CG MET A 19 -7.487 11.095 13.219 1.00 0.00 C ATOM 274 SD MET A 19 -8.001 9.372 13.372 1.00 0.00 S ATOM 275 CE MET A 19 -6.392 8.563 13.340 1.00 0.00 C ATOM 0 H MET A 19 -7.708 11.930 10.526 1.00 0.00 H new ATOM 0 HA MET A 19 -9.824 10.507 11.717 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.299 12.994 12.638 1.00 0.00 H new ATOM 0 HB3 MET A 19 -9.352 12.053 13.676 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.699 11.179 12.470 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.067 11.439 14.164 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.389 7.790 12.571 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.619 9.299 13.118 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.193 8.110 14.311 1.00 0.00 H new ATOM 285 N LYS A 20 -10.782 13.526 10.788 1.00 0.00 N ATOM 286 CA LYS A 20 -12.007 14.298 10.438 1.00 0.00 C ATOM 287 C LYS A 20 -12.946 13.614 9.388 1.00 0.00 C ATOM 288 O LYS A 20 -14.169 13.701 9.534 1.00 0.00 O ATOM 289 CB LYS A 20 -11.561 15.723 10.009 1.00 0.00 C ATOM 290 CG LYS A 20 -12.667 16.793 10.097 1.00 0.00 C ATOM 291 CD LYS A 20 -12.144 18.201 9.759 1.00 0.00 C ATOM 292 CE LYS A 20 -13.216 19.291 9.911 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.656 20.627 9.639 1.00 0.00 N ATOM 0 H LYS A 20 -9.917 13.967 10.476 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.641 14.345 11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.724 16.032 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.194 15.682 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.476 16.534 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.088 16.796 11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.301 18.435 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.769 18.208 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.041 19.093 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.626 19.264 10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.401 21.345 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.885 20.823 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.287 20.657 8.667 1.00 0.00 H new ATOM 307 N ALA A 21 -12.389 12.930 8.363 1.00 0.00 N ATOM 308 CA ALA A 21 -13.176 12.162 7.360 1.00 0.00 C ATOM 309 C ALA A 21 -13.892 10.878 7.875 1.00 0.00 C ATOM 310 O ALA A 21 -15.046 10.649 7.505 1.00 0.00 O ATOM 311 CB ALA A 21 -12.252 11.835 6.171 1.00 0.00 C ATOM 0 H ALA A 21 -11.382 12.892 8.204 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.005 12.808 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.808 11.271 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.886 12.762 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.408 11.240 6.519 1.00 0.00 H new ATOM 317 N ILE A 22 -13.231 10.060 8.722 1.00 0.00 N ATOM 318 CA ILE A 22 -13.839 8.840 9.344 1.00 0.00 C ATOM 319 C ILE A 22 -15.054 9.112 10.301 1.00 0.00 C ATOM 320 O ILE A 22 -16.011 8.332 10.281 1.00 0.00 O ATOM 321 CB ILE A 22 -12.751 7.909 9.999 1.00 0.00 C ATOM 322 CG1 ILE A 22 -12.033 8.543 11.229 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.751 7.366 8.945 1.00 0.00 C ATOM 324 CD1 ILE A 22 -11.038 7.659 11.992 1.00 0.00 C ATOM 0 H ILE A 22 -12.262 10.217 9.000 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.281 8.297 8.508 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.297 7.056 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.503 9.433 10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.797 8.876 11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.016 6.728 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.291 6.787 8.195 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.242 8.200 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.612 8.223 12.822 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.554 6.780 12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.240 7.345 11.319 1.00 0.00 H new ATOM 336 N GLY A 23 -15.004 10.184 11.119 1.00 0.00 N ATOM 337 CA GLY A 23 -16.099 10.564 12.040 1.00 0.00 C ATOM 338 C GLY A 23 -15.602 10.999 13.433 1.00 0.00 C ATOM 339 O GLY A 23 -15.958 10.357 14.426 1.00 0.00 O ATOM 0 H GLY A 23 -14.202 10.813 11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.672 11.378 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.779 9.720 12.152 1.00 0.00 H new ATOM 343 N LEU A 24 -14.821 12.096 13.507 1.00 0.00 N ATOM 344 CA LEU A 24 -14.370 12.692 14.796 1.00 0.00 C ATOM 345 C LEU A 24 -14.394 14.257 14.721 1.00 0.00 C ATOM 346 O LEU A 24 -14.027 14.809 13.674 1.00 0.00 O ATOM 347 CB LEU A 24 -12.938 12.232 15.201 1.00 0.00 C ATOM 348 CG LEU A 24 -12.766 10.758 15.660 1.00 0.00 C ATOM 349 CD1 LEU A 24 -11.270 10.411 15.753 1.00 0.00 C ATOM 350 CD2 LEU A 24 -13.454 10.473 17.013 1.00 0.00 C ATOM 0 H LEU A 24 -14.483 12.596 12.685 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.069 12.339 15.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.277 12.400 14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.591 12.879 16.007 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.251 10.130 14.913 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.156 9.376 16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.805 10.540 14.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.788 11.071 16.474 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.302 9.429 17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.024 11.115 17.782 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.522 10.674 16.928 1.00 0.00 H new ATOM 362 N PRO A 25 -14.742 15.020 15.806 1.00 0.00 N ATOM 363 CA PRO A 25 -14.638 16.504 15.822 1.00 0.00 C ATOM 364 C PRO A 25 -13.171 17.028 15.916 1.00 0.00 C ATOM 365 O PRO A 25 -12.239 16.271 16.217 1.00 0.00 O ATOM 366 CB PRO A 25 -15.487 16.848 17.065 1.00 0.00 C ATOM 367 CG PRO A 25 -15.290 15.675 18.027 1.00 0.00 C ATOM 368 CD PRO A 25 -15.186 14.462 17.102 1.00 0.00 C ATOM 0 HA PRO A 25 -14.983 16.976 14.902 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.162 17.785 17.516 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.538 16.969 16.802 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.390 15.798 18.629 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.126 15.580 18.720 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.473 13.731 17.484 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.145 13.952 17.007 1.00 0.00 H new ATOM 376 N GLU A 26 -12.984 18.344 15.698 1.00 0.00 N ATOM 377 CA GLU A 26 -11.650 19.006 15.853 1.00 0.00 C ATOM 378 C GLU A 26 -11.265 19.411 17.327 1.00 0.00 C ATOM 379 O GLU A 26 -10.479 20.337 17.537 1.00 0.00 O ATOM 380 CB GLU A 26 -11.611 20.179 14.820 1.00 0.00 C ATOM 381 CG GLU A 26 -10.216 20.665 14.358 1.00 0.00 C ATOM 382 CD GLU A 26 -9.375 19.627 13.601 1.00 0.00 C ATOM 383 OE1 GLU A 26 -9.831 19.116 12.554 1.00 0.00 O ATOM 384 OE2 GLU A 26 -8.250 19.319 14.052 1.00 0.00 O ATOM 0 H GLU A 26 -13.731 18.978 15.414 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.859 18.288 15.636 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.172 19.871 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.139 21.029 15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.347 21.538 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.656 20.993 15.234 1.00 0.00 H new ATOM 391 N GLU A 27 -11.765 18.670 18.339 1.00 0.00 N ATOM 392 CA GLU A 27 -11.316 18.744 19.755 1.00 0.00 C ATOM 393 C GLU A 27 -10.298 17.598 20.056 1.00 0.00 C ATOM 394 O GLU A 27 -9.154 17.895 20.408 1.00 0.00 O ATOM 395 CB GLU A 27 -12.578 18.745 20.663 1.00 0.00 C ATOM 396 CG GLU A 27 -12.295 18.929 22.169 1.00 0.00 C ATOM 397 CD GLU A 27 -13.567 18.868 23.019 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.955 17.758 23.447 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.186 19.928 23.259 1.00 0.00 O ATOM 0 H GLU A 27 -12.509 17.987 18.196 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.772 19.666 19.961 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.244 19.542 20.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.111 17.805 20.521 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.603 18.156 22.502 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.802 19.888 22.328 1.00 0.00 H new ATOM 406 N LEU A 28 -10.695 16.312 19.898 1.00 0.00 N ATOM 407 CA LEU A 28 -9.772 15.139 19.994 1.00 0.00 C ATOM 408 C LEU A 28 -8.604 15.087 18.954 1.00 0.00 C ATOM 409 O LEU A 28 -7.534 14.566 19.281 1.00 0.00 O ATOM 410 CB LEU A 28 -10.600 13.822 19.903 1.00 0.00 C ATOM 411 CG LEU A 28 -11.586 13.518 21.069 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.546 12.378 20.680 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.860 13.171 22.386 1.00 0.00 C ATOM 0 H LEU A 28 -11.661 16.052 19.700 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.279 15.254 20.959 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.172 13.846 18.975 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.902 12.989 19.826 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.156 14.431 21.245 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.228 12.179 21.507 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.118 12.669 19.799 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.972 11.478 20.459 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.596 12.968 23.164 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.237 12.289 22.237 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.234 14.010 22.688 1.00 0.00 H new ATOM 425 N ILE A 29 -8.798 15.628 17.734 1.00 0.00 N ATOM 426 CA ILE A 29 -7.734 15.764 16.694 1.00 0.00 C ATOM 427 C ILE A 29 -6.628 16.780 17.145 1.00 0.00 C ATOM 428 O ILE A 29 -5.451 16.417 17.137 1.00 0.00 O ATOM 429 CB ILE A 29 -8.364 16.084 15.288 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.442 15.048 14.843 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.284 16.209 14.181 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.308 15.451 13.640 1.00 0.00 C ATOM 0 H ILE A 29 -9.703 15.989 17.431 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.222 14.808 16.581 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.860 17.046 15.417 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.940 14.110 14.606 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.100 14.852 15.690 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.764 16.430 13.228 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.594 17.014 14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.734 15.271 14.101 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.020 14.655 13.422 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.849 16.369 13.872 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.670 15.615 12.771 1.00 0.00 H new ATOM 444 N GLN A 30 -6.990 18.011 17.569 1.00 0.00 N ATOM 445 CA GLN A 30 -6.037 18.970 18.205 1.00 0.00 C ATOM 446 C GLN A 30 -5.308 18.478 19.499 1.00 0.00 C ATOM 447 O GLN A 30 -4.143 18.836 19.699 1.00 0.00 O ATOM 448 CB GLN A 30 -6.764 20.313 18.511 1.00 0.00 C ATOM 449 CG GLN A 30 -7.326 21.112 17.312 1.00 0.00 C ATOM 450 CD GLN A 30 -6.268 21.807 16.439 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.531 22.679 16.898 1.00 0.00 O ATOM 452 NE2 GLN A 30 -6.184 21.456 15.167 1.00 0.00 N ATOM 0 H GLN A 30 -7.940 18.373 17.485 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.246 19.086 17.464 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.590 20.101 19.190 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.068 20.957 19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.906 20.435 16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.016 21.867 17.689 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.799 20.732 14.796 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.504 21.909 14.557 1.00 0.00 H new ATOM 461 N LYS A 31 -5.964 17.664 20.351 1.00 0.00 N ATOM 462 CA LYS A 31 -5.317 17.003 21.518 1.00 0.00 C ATOM 463 C LYS A 31 -4.236 15.938 21.150 1.00 0.00 C ATOM 464 O LYS A 31 -3.165 15.966 21.760 1.00 0.00 O ATOM 465 CB LYS A 31 -6.396 16.385 22.451 1.00 0.00 C ATOM 466 CG LYS A 31 -7.319 17.367 23.216 1.00 0.00 C ATOM 467 CD LYS A 31 -6.858 17.792 24.628 1.00 0.00 C ATOM 468 CE LYS A 31 -5.573 18.641 24.684 1.00 0.00 C ATOM 469 NZ LYS A 31 -5.294 19.113 26.052 1.00 0.00 N ATOM 0 H LYS A 31 -6.955 17.443 20.255 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.775 17.793 22.039 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.026 15.728 21.850 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.889 15.758 23.184 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.436 18.266 22.611 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.305 16.910 23.303 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.664 18.354 25.099 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.704 16.894 25.226 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.730 18.051 24.323 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.672 19.497 24.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.423 19.681 26.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.087 19.696 26.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.175 18.296 26.684 1.00 0.00 H new ATOM 483 N GLY A 32 -4.497 15.020 20.195 1.00 0.00 N ATOM 484 CA GLY A 32 -3.503 13.997 19.775 1.00 0.00 C ATOM 485 C GLY A 32 -2.716 14.219 18.459 1.00 0.00 C ATOM 486 O GLY A 32 -2.175 13.238 17.940 1.00 0.00 O ATOM 0 H GLY A 32 -5.386 14.963 19.698 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.776 13.892 20.581 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.025 13.044 19.691 1.00 0.00 H new ATOM 490 N LYS A 33 -2.602 15.460 17.941 1.00 0.00 N ATOM 491 CA LYS A 33 -1.737 15.775 16.765 1.00 0.00 C ATOM 492 C LYS A 33 -0.213 15.890 17.090 1.00 0.00 C ATOM 493 O LYS A 33 0.607 15.390 16.316 1.00 0.00 O ATOM 494 CB LYS A 33 -2.274 16.979 15.940 1.00 0.00 C ATOM 495 CG LYS A 33 -2.222 18.373 16.603 1.00 0.00 C ATOM 496 CD LYS A 33 -2.747 19.501 15.694 1.00 0.00 C ATOM 497 CE LYS A 33 -2.709 20.904 16.330 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.346 21.438 16.516 1.00 0.00 N ATOM 0 H LYS A 33 -3.097 16.269 18.315 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.807 14.896 16.124 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.710 17.028 15.008 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.310 16.770 15.675 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.809 18.353 17.521 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.193 18.594 16.887 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.158 19.515 14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.774 19.273 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.276 21.592 15.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.210 20.868 17.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.396 22.460 16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.893 20.960 17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.787 21.271 15.655 1.00 0.00 H new ATOM 512 N ASP A 34 0.154 16.554 18.207 1.00 0.00 N ATOM 513 CA ASP A 34 1.571 16.761 18.617 1.00 0.00 C ATOM 514 C ASP A 34 2.190 15.556 19.388 1.00 0.00 C ATOM 515 O ASP A 34 3.374 15.270 19.186 1.00 0.00 O ATOM 516 CB ASP A 34 1.700 18.061 19.462 1.00 0.00 C ATOM 517 CG ASP A 34 1.351 19.369 18.730 1.00 0.00 C ATOM 518 OD1 ASP A 34 2.150 19.821 17.880 1.00 0.00 O ATOM 519 OD2 ASP A 34 0.272 19.942 19.000 1.00 0.00 O ATOM 0 H ASP A 34 -0.519 16.964 18.854 1.00 0.00 H new ATOM 0 HA ASP A 34 2.142 16.854 17.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.053 17.971 20.335 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.724 18.134 19.830 1.00 0.00 H new ATOM 524 N ILE A 35 1.422 14.873 20.269 1.00 0.00 N ATOM 525 CA ILE A 35 1.950 13.818 21.173 1.00 0.00 C ATOM 526 C ILE A 35 2.024 12.484 20.372 1.00 0.00 C ATOM 527 O ILE A 35 1.004 11.913 19.970 1.00 0.00 O ATOM 528 CB ILE A 35 1.108 13.723 22.494 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.011 15.079 23.267 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.656 12.633 23.453 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.288 15.863 23.034 1.00 0.00 C ATOM 0 H ILE A 35 0.421 15.036 20.375 1.00 0.00 H new ATOM 0 HA ILE A 35 2.957 14.065 21.508 1.00 0.00 H new ATOM 0 HB ILE A 35 0.105 13.450 22.166 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.112 14.881 24.334 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.854 15.707 22.978 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.044 12.601 24.355 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.623 11.663 22.958 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.686 12.869 23.721 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.263 16.788 23.611 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.386 16.099 21.974 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.139 15.260 23.351 1.00 0.00 H new ATOM 543 N LYS A 36 3.268 12.027 20.168 1.00 0.00 N ATOM 544 CA LYS A 36 3.585 10.800 19.397 1.00 0.00 C ATOM 545 C LYS A 36 3.863 9.634 20.385 1.00 0.00 C ATOM 546 O LYS A 36 4.813 9.693 21.173 1.00 0.00 O ATOM 547 CB LYS A 36 4.735 11.091 18.394 1.00 0.00 C ATOM 548 CG LYS A 36 6.123 11.497 18.951 1.00 0.00 C ATOM 549 CD LYS A 36 7.072 12.060 17.869 1.00 0.00 C ATOM 550 CE LYS A 36 8.529 12.258 18.330 1.00 0.00 C ATOM 551 NZ LYS A 36 9.250 10.987 18.540 1.00 0.00 N ATOM 0 H LYS A 36 4.095 12.498 20.534 1.00 0.00 H new ATOM 0 HA LYS A 36 2.740 10.484 18.786 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.872 10.200 17.781 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.400 11.887 17.729 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.989 12.245 19.733 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.588 10.629 19.417 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.065 11.386 17.012 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.681 13.017 17.525 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.061 12.852 17.587 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.535 12.829 19.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.223 11.187 18.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.763 10.428 19.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.273 10.450 17.650 1.00 0.00 H new ATOM 565 N GLY A 37 2.999 8.605 20.368 1.00 0.00 N ATOM 566 CA GLY A 37 3.004 7.546 21.403 1.00 0.00 C ATOM 567 C GLY A 37 3.695 6.223 21.023 1.00 0.00 C ATOM 568 O GLY A 37 4.028 5.963 19.863 1.00 0.00 O ATOM 0 H GLY A 37 2.286 8.480 19.650 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.490 7.942 22.295 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.971 7.327 21.673 1.00 0.00 H new ATOM 572 N VAL A 38 3.876 5.381 22.055 1.00 0.00 N ATOM 573 CA VAL A 38 4.598 4.083 21.937 1.00 0.00 C ATOM 574 C VAL A 38 3.538 2.968 21.699 1.00 0.00 C ATOM 575 O VAL A 38 2.709 2.695 22.574 1.00 0.00 O ATOM 576 CB VAL A 38 5.509 3.796 23.184 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.308 2.473 23.053 1.00 0.00 C ATOM 578 CG2 VAL A 38 6.528 4.923 23.484 1.00 0.00 C ATOM 0 H VAL A 38 3.531 5.572 22.996 1.00 0.00 H new ATOM 0 HA VAL A 38 5.285 4.116 21.092 1.00 0.00 H new ATOM 0 HB VAL A 38 4.797 3.727 24.006 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.919 2.327 23.944 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.615 1.638 22.948 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.952 2.522 22.175 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.121 4.654 24.358 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.186 5.056 22.626 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.995 5.853 23.680 1.00 0.00 H new ATOM 588 N SER A 39 3.626 2.301 20.533 1.00 0.00 N ATOM 589 CA SER A 39 2.857 1.064 20.247 1.00 0.00 C ATOM 590 C SER A 39 3.672 -0.159 20.748 1.00 0.00 C ATOM 591 O SER A 39 4.643 -0.586 20.113 1.00 0.00 O ATOM 592 CB SER A 39 2.557 0.984 18.735 1.00 0.00 C ATOM 593 OG SER A 39 1.678 -0.101 18.456 1.00 0.00 O ATOM 0 H SER A 39 4.227 2.598 19.764 1.00 0.00 H new ATOM 0 HA SER A 39 1.901 1.071 20.770 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.109 1.918 18.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.487 0.858 18.180 1.00 0.00 H new ATOM 0 HG SER A 39 1.497 -0.136 17.494 1.00 0.00 H new ATOM 599 N GLU A 40 3.268 -0.692 21.914 1.00 0.00 N ATOM 600 CA GLU A 40 3.986 -1.801 22.593 1.00 0.00 C ATOM 601 C GLU A 40 3.367 -3.151 22.141 1.00 0.00 C ATOM 602 O GLU A 40 2.305 -3.559 22.622 1.00 0.00 O ATOM 603 CB GLU A 40 3.925 -1.575 24.125 1.00 0.00 C ATOM 604 CG GLU A 40 4.768 -2.582 24.936 1.00 0.00 C ATOM 605 CD GLU A 40 4.610 -2.398 26.446 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.610 -2.895 27.012 1.00 0.00 O ATOM 607 OE2 GLU A 40 5.478 -1.757 27.076 1.00 0.00 O ATOM 0 H GLU A 40 2.439 -0.373 22.416 1.00 0.00 H new ATOM 0 HA GLU A 40 5.040 -1.827 22.318 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.268 -0.565 24.348 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.887 -1.638 24.451 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.476 -3.597 24.665 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.819 -2.470 24.668 1.00 0.00 H new ATOM 614 N ILE A 41 4.060 -3.825 21.209 1.00 0.00 N ATOM 615 CA ILE A 41 3.543 -5.044 20.532 1.00 0.00 C ATOM 616 C ILE A 41 4.036 -6.283 21.342 1.00 0.00 C ATOM 617 O ILE A 41 5.236 -6.444 21.586 1.00 0.00 O ATOM 618 CB ILE A 41 3.922 -5.108 19.006 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.652 -3.779 18.231 1.00 0.00 C ATOM 620 CG2 ILE A 41 3.208 -6.304 18.316 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.974 -3.751 16.730 1.00 0.00 C ATOM 0 H ILE A 41 4.991 -3.549 20.899 1.00 0.00 H new ATOM 0 HA ILE A 41 2.453 -5.026 20.526 1.00 0.00 H new ATOM 0 HB ILE A 41 5.001 -5.259 18.969 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.598 -3.528 18.353 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.226 -2.987 18.712 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.482 -6.332 17.261 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.512 -7.235 18.795 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.128 -6.185 18.407 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.737 -2.767 16.325 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.034 -3.959 16.581 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.380 -4.507 16.216 1.00 0.00 H new ATOM 633 N VAL A 42 3.088 -7.156 21.728 1.00 0.00 N ATOM 634 CA VAL A 42 3.393 -8.460 22.379 1.00 0.00 C ATOM 635 C VAL A 42 2.915 -9.551 21.372 1.00 0.00 C ATOM 636 O VAL A 42 1.748 -9.957 21.379 1.00 0.00 O ATOM 637 CB VAL A 42 2.759 -8.563 23.811 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.046 -9.924 24.490 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.223 -7.443 24.776 1.00 0.00 C ATOM 0 H VAL A 42 2.090 -6.986 21.602 1.00 0.00 H new ATOM 0 HA VAL A 42 4.457 -8.589 22.577 1.00 0.00 H new ATOM 0 HB VAL A 42 1.689 -8.454 23.632 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.585 -9.942 25.478 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.633 -10.728 23.882 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.123 -10.061 24.590 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.745 -7.578 25.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.305 -7.491 24.895 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.946 -6.472 24.366 1.00 0.00 H new ATOM 649 N GLN A 43 3.850 -10.017 20.523 1.00 0.00 N ATOM 650 CA GLN A 43 3.619 -11.144 19.583 1.00 0.00 C ATOM 651 C GLN A 43 4.191 -12.436 20.227 1.00 0.00 C ATOM 652 O GLN A 43 5.379 -12.508 20.561 1.00 0.00 O ATOM 653 CB GLN A 43 4.256 -10.784 18.212 1.00 0.00 C ATOM 654 CG GLN A 43 4.157 -11.844 17.085 1.00 0.00 C ATOM 655 CD GLN A 43 5.319 -12.851 16.961 1.00 0.00 C ATOM 656 OE1 GLN A 43 6.257 -12.901 17.757 1.00 0.00 O ATOM 657 NE2 GLN A 43 5.283 -13.675 15.926 1.00 0.00 N ATOM 0 H GLN A 43 4.790 -9.626 20.465 1.00 0.00 H new ATOM 0 HA GLN A 43 2.560 -11.323 19.396 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.791 -9.866 17.854 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.311 -10.564 18.377 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.236 -12.408 17.231 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.062 -11.319 16.135 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.505 -13.633 15.267 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.033 -14.352 15.787 1.00 0.00 H new ATOM 666 N ASN A 44 3.326 -13.454 20.368 1.00 0.00 N ATOM 667 CA ASN A 44 3.727 -14.814 20.812 1.00 0.00 C ATOM 668 C ASN A 44 3.236 -15.831 19.742 1.00 0.00 C ATOM 669 O ASN A 44 2.232 -16.527 19.934 1.00 0.00 O ATOM 670 CB ASN A 44 3.179 -15.124 22.237 1.00 0.00 C ATOM 671 CG ASN A 44 3.731 -14.254 23.388 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.933 -14.013 23.501 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.866 -13.776 24.269 1.00 0.00 N ATOM 0 H ASN A 44 2.328 -13.365 20.179 1.00 0.00 H new ATOM 0 HA ASN A 44 4.811 -14.886 20.895 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.094 -15.017 22.217 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.392 -16.168 22.465 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.194 -13.204 25.047 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.871 -13.980 24.169 1.00 0.00 H new ATOM 680 N GLY A 45 3.941 -15.884 18.590 1.00 0.00 N ATOM 681 CA GLY A 45 3.529 -16.704 17.426 1.00 0.00 C ATOM 682 C GLY A 45 2.257 -16.173 16.729 1.00 0.00 C ATOM 683 O GLY A 45 2.271 -15.099 16.118 1.00 0.00 O ATOM 0 H GLY A 45 4.806 -15.364 18.440 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.345 -16.735 16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.355 -17.729 17.755 1.00 0.00 H new ATOM 687 N LYS A 46 1.157 -16.928 16.880 1.00 0.00 N ATOM 688 CA LYS A 46 -0.203 -16.490 16.460 1.00 0.00 C ATOM 689 C LYS A 46 -0.954 -15.490 17.404 1.00 0.00 C ATOM 690 O LYS A 46 -1.886 -14.836 16.929 1.00 0.00 O ATOM 691 CB LYS A 46 -1.066 -17.747 16.150 1.00 0.00 C ATOM 692 CG LYS A 46 -1.376 -18.695 17.336 1.00 0.00 C ATOM 693 CD LYS A 46 -2.050 -20.035 16.966 1.00 0.00 C ATOM 694 CE LYS A 46 -3.557 -19.980 16.651 1.00 0.00 C ATOM 695 NZ LYS A 46 -3.869 -19.465 15.304 1.00 0.00 N ATOM 0 H LYS A 46 1.175 -17.860 17.295 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.046 -15.885 15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.013 -17.412 15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.558 -18.325 15.378 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.444 -18.911 17.858 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.020 -18.168 18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.535 -20.449 16.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.898 -20.733 17.790 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.976 -20.981 16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.050 -19.352 17.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.800 -19.818 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.884 -18.425 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.144 -19.788 14.632 1.00 0.00 H new ATOM 709 N HIS A 47 -0.598 -15.380 18.701 1.00 0.00 N ATOM 710 CA HIS A 47 -1.355 -14.574 19.698 1.00 0.00 C ATOM 711 C HIS A 47 -0.750 -13.144 19.791 1.00 0.00 C ATOM 712 O HIS A 47 0.313 -12.930 20.380 1.00 0.00 O ATOM 713 CB HIS A 47 -1.354 -15.289 21.078 1.00 0.00 C ATOM 714 CG HIS A 47 -2.159 -16.593 21.137 1.00 0.00 C ATOM 715 ND1 HIS A 47 -1.614 -17.859 21.019 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.557 -16.689 21.268 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.755 -18.614 21.073 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.979 -18.010 21.225 1.00 0.00 N ATOM 0 H HIS A 47 0.221 -15.845 19.092 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.392 -14.479 19.377 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.323 -15.504 21.357 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.750 -14.602 21.826 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.217 -15.842 21.387 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.692 -19.689 20.996 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.915 -18.411 21.287 1.00 0.00 H new ATOM 726 N PHE A 48 -1.460 -12.182 19.185 1.00 0.00 N ATOM 727 CA PHE A 48 -1.011 -10.768 19.058 1.00 0.00 C ATOM 728 C PHE A 48 -1.778 -9.812 20.017 1.00 0.00 C ATOM 729 O PHE A 48 -2.962 -9.991 20.315 1.00 0.00 O ATOM 730 CB PHE A 48 -1.249 -10.290 17.597 1.00 0.00 C ATOM 731 CG PHE A 48 -0.225 -10.736 16.545 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.378 -11.947 15.862 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.826 -9.881 16.195 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.517 -12.306 14.856 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.702 -10.231 15.176 1.00 0.00 C ATOM 736 CZ PHE A 48 1.555 -11.445 14.511 1.00 0.00 C ATOM 0 H PHE A 48 -2.372 -12.354 18.762 1.00 0.00 H new ATOM 0 HA PHE A 48 0.046 -10.737 19.323 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.233 -10.639 17.282 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.282 -9.201 17.598 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.194 -12.607 16.116 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.956 -8.946 16.719 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.405 -13.251 14.345 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.500 -9.559 14.898 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.246 -11.719 13.728 1.00 0.00 H new ATOM 746 N LYS A 49 -1.090 -8.722 20.400 1.00 0.00 N ATOM 747 CA LYS A 49 -1.742 -7.452 20.828 1.00 0.00 C ATOM 748 C LYS A 49 -0.783 -6.246 20.590 1.00 0.00 C ATOM 749 O LYS A 49 0.436 -6.414 20.501 1.00 0.00 O ATOM 750 CB LYS A 49 -2.325 -7.497 22.270 1.00 0.00 C ATOM 751 CG LYS A 49 -1.341 -7.658 23.453 1.00 0.00 C ATOM 752 CD LYS A 49 -2.014 -7.526 24.836 1.00 0.00 C ATOM 753 CE LYS A 49 -2.932 -8.703 25.222 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.532 -8.503 26.552 1.00 0.00 N ATOM 0 H LYS A 49 -0.071 -8.687 20.425 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.620 -7.313 20.197 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.889 -6.578 22.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.037 -8.321 22.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.859 -8.633 23.384 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.556 -6.907 23.367 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.238 -7.425 25.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.599 -6.606 24.854 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.721 -8.810 24.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.359 -9.630 25.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.144 -9.312 26.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.779 -8.425 27.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.098 -7.630 26.550 1.00 0.00 H new ATOM 768 N PHE A 50 -1.338 -5.019 20.508 1.00 0.00 N ATOM 769 CA PHE A 50 -0.533 -3.769 20.432 1.00 0.00 C ATOM 770 C PHE A 50 -1.209 -2.641 21.256 1.00 0.00 C ATOM 771 O PHE A 50 -2.394 -2.356 21.069 1.00 0.00 O ATOM 772 CB PHE A 50 -0.169 -3.354 18.982 1.00 0.00 C ATOM 773 CG PHE A 50 -1.275 -3.008 17.963 1.00 0.00 C ATOM 774 CD1 PHE A 50 -1.836 -1.725 17.928 1.00 0.00 C ATOM 775 CD2 PHE A 50 -1.644 -3.942 16.989 1.00 0.00 C ATOM 776 CE1 PHE A 50 -2.753 -1.387 16.937 1.00 0.00 C ATOM 777 CE2 PHE A 50 -2.557 -3.598 15.994 1.00 0.00 C ATOM 778 CZ PHE A 50 -3.107 -2.320 15.967 1.00 0.00 C ATOM 0 H PHE A 50 -2.346 -4.861 20.492 1.00 0.00 H new ATOM 0 HA PHE A 50 0.434 -3.971 20.892 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.487 -2.486 19.051 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.420 -4.165 18.554 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.556 -0.995 18.673 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.219 -4.935 17.008 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.190 -0.400 16.921 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.838 -4.323 15.244 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.810 -2.052 15.192 1.00 0.00 H new ATOM 788 N THR A 51 -0.434 -2.009 22.160 1.00 0.00 N ATOM 789 CA THR A 51 -0.966 -1.050 23.166 1.00 0.00 C ATOM 790 C THR A 51 -0.398 0.361 22.843 1.00 0.00 C ATOM 791 O THR A 51 0.740 0.680 23.197 1.00 0.00 O ATOM 792 CB THR A 51 -0.622 -1.544 24.608 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.038 -2.895 24.794 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.286 -0.714 25.722 1.00 0.00 C ATOM 0 H THR A 51 0.575 -2.144 22.219 1.00 0.00 H new ATOM 0 HA THR A 51 -2.053 -0.989 23.121 1.00 0.00 H new ATOM 0 HB THR A 51 0.460 -1.438 24.687 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.812 -3.185 25.702 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.001 -1.116 26.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.958 0.323 25.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.370 -0.760 25.614 1.00 0.00 H new ATOM 802 N ILE A 52 -1.224 1.204 22.195 1.00 0.00 N ATOM 803 CA ILE A 52 -0.862 2.613 21.848 1.00 0.00 C ATOM 804 C ILE A 52 -1.227 3.512 23.071 1.00 0.00 C ATOM 805 O ILE A 52 -2.323 3.399 23.633 1.00 0.00 O ATOM 806 CB ILE A 52 -1.567 3.071 20.517 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.173 2.197 19.285 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.309 4.567 20.173 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.179 2.222 18.126 1.00 0.00 C ATOM 0 H ILE A 52 -2.162 0.939 21.893 1.00 0.00 H new ATOM 0 HA ILE A 52 0.207 2.700 21.651 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.630 2.936 20.719 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.205 2.534 18.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.047 1.166 19.615 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.822 4.821 19.245 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.686 5.196 20.979 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.238 4.733 20.053 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.819 1.586 17.318 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.144 1.854 18.474 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.289 3.243 17.762 1.00 0.00 H new ATOM 821 N THR A 53 -0.312 4.430 23.434 1.00 0.00 N ATOM 822 CA THR A 53 -0.601 5.500 24.432 1.00 0.00 C ATOM 823 C THR A 53 -0.078 6.842 23.840 1.00 0.00 C ATOM 824 O THR A 53 1.083 7.209 24.047 1.00 0.00 O ATOM 825 CB THR A 53 -0.019 5.146 25.836 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.487 3.868 26.261 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.409 6.151 26.935 1.00 0.00 C ATOM 0 H THR A 53 0.635 4.460 23.057 1.00 0.00 H new ATOM 0 HA THR A 53 -1.672 5.598 24.610 1.00 0.00 H new ATOM 0 HB THR A 53 1.063 5.165 25.709 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.113 3.659 27.142 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.030 5.842 27.883 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.040 7.142 26.670 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.494 6.182 27.031 1.00 0.00 H new ATOM 835 N ALA A 54 -0.958 7.570 23.119 1.00 0.00 N ATOM 836 CA ALA A 54 -0.624 8.879 22.492 1.00 0.00 C ATOM 837 C ALA A 54 -1.178 10.056 23.358 1.00 0.00 C ATOM 838 O ALA A 54 -1.037 10.031 24.586 1.00 0.00 O ATOM 839 CB ALA A 54 -1.072 8.785 21.012 1.00 0.00 C ATOM 0 H ALA A 54 -1.919 7.273 22.952 1.00 0.00 H new ATOM 0 HA ALA A 54 0.441 9.108 22.468 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.849 9.723 20.504 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.538 7.971 20.521 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.144 8.595 20.968 1.00 0.00 H new ATOM 845 N GLY A 55 -1.767 11.098 22.739 1.00 0.00 N ATOM 846 CA GLY A 55 -2.346 12.255 23.467 1.00 0.00 C ATOM 847 C GLY A 55 -3.728 11.935 24.064 1.00 0.00 C ATOM 848 O GLY A 55 -3.799 11.397 25.174 1.00 0.00 O ATOM 0 H GLY A 55 -1.857 11.166 21.725 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.668 12.555 24.266 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.433 13.103 22.787 1.00 0.00 H new ATOM 852 N SER A 56 -4.803 12.225 23.308 1.00 0.00 N ATOM 853 CA SER A 56 -6.168 11.705 23.626 1.00 0.00 C ATOM 854 C SER A 56 -6.629 10.536 22.689 1.00 0.00 C ATOM 855 O SER A 56 -7.805 10.458 22.315 1.00 0.00 O ATOM 856 CB SER A 56 -7.150 12.902 23.638 1.00 0.00 C ATOM 857 OG SER A 56 -6.842 13.813 24.688 1.00 0.00 O ATOM 0 H SER A 56 -4.765 12.812 22.475 1.00 0.00 H new ATOM 0 HA SER A 56 -6.149 11.244 24.613 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.107 13.420 22.680 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.170 12.537 23.758 1.00 0.00 H new ATOM 0 HG SER A 56 -7.477 14.559 24.670 1.00 0.00 H new ATOM 863 N LYS A 57 -5.719 9.590 22.364 1.00 0.00 N ATOM 864 CA LYS A 57 -6.042 8.349 21.610 1.00 0.00 C ATOM 865 C LYS A 57 -5.170 7.217 22.221 1.00 0.00 C ATOM 866 O LYS A 57 -4.073 6.918 21.735 1.00 0.00 O ATOM 867 CB LYS A 57 -5.827 8.516 20.080 1.00 0.00 C ATOM 868 CG LYS A 57 -6.941 9.301 19.353 1.00 0.00 C ATOM 869 CD LYS A 57 -6.694 9.460 17.839 1.00 0.00 C ATOM 870 CE LYS A 57 -7.850 10.133 17.074 1.00 0.00 C ATOM 871 NZ LYS A 57 -8.011 11.570 17.375 1.00 0.00 N ATOM 0 H LYS A 57 -4.734 9.663 22.617 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.099 8.103 21.707 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.876 9.023 19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.744 7.527 19.629 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.893 8.792 19.506 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.032 10.289 19.804 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.787 10.045 17.691 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.513 8.476 17.407 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.683 10.013 16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.780 9.616 17.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.536 12.030 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.536 11.681 18.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.074 12.012 17.468 1.00 0.00 H new ATOM 885 N VAL A 58 -5.684 6.592 23.300 1.00 0.00 N ATOM 886 CA VAL A 58 -5.002 5.466 24.000 1.00 0.00 C ATOM 887 C VAL A 58 -5.794 4.190 23.581 1.00 0.00 C ATOM 888 O VAL A 58 -6.806 3.844 24.200 1.00 0.00 O ATOM 889 CB VAL A 58 -4.930 5.733 25.545 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.262 4.576 26.324 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.194 7.048 25.913 1.00 0.00 C ATOM 0 H VAL A 58 -6.580 6.847 23.715 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.956 5.344 23.720 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.976 5.819 25.841 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.241 4.817 27.387 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.831 3.659 26.172 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.243 4.435 25.963 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.182 7.168 26.996 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.170 7.008 25.541 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.712 7.894 25.460 1.00 0.00 H new ATOM 901 N ILE A 59 -5.353 3.545 22.482 1.00 0.00 N ATOM 902 CA ILE A 59 -6.185 2.562 21.729 1.00 0.00 C ATOM 903 C ILE A 59 -5.396 1.219 21.705 1.00 0.00 C ATOM 904 O ILE A 59 -4.358 1.110 21.043 1.00 0.00 O ATOM 905 CB ILE A 59 -6.584 3.144 20.321 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.557 4.361 20.456 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.207 2.074 19.388 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.889 5.123 19.167 1.00 0.00 C ATOM 0 H ILE A 59 -4.422 3.683 22.088 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.144 2.365 22.208 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.654 3.484 19.864 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.491 4.004 20.890 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.124 5.066 21.166 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.463 2.530 18.432 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.489 1.270 19.226 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.108 1.669 19.849 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.571 5.942 19.394 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.972 5.524 18.735 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.360 4.445 18.455 1.00 0.00 H new ATOM 920 N GLN A 60 -5.931 0.199 22.408 1.00 0.00 N ATOM 921 CA GLN A 60 -5.312 -1.150 22.493 1.00 0.00 C ATOM 922 C GLN A 60 -6.167 -2.171 21.693 1.00 0.00 C ATOM 923 O GLN A 60 -7.378 -2.302 21.908 1.00 0.00 O ATOM 924 CB GLN A 60 -5.125 -1.525 23.989 1.00 0.00 C ATOM 925 CG GLN A 60 -4.253 -2.770 24.281 1.00 0.00 C ATOM 926 CD GLN A 60 -5.003 -4.103 24.400 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.260 -4.789 23.412 1.00 0.00 O ATOM 928 NE2 GLN A 60 -5.345 -4.506 25.613 1.00 0.00 N ATOM 0 H GLN A 60 -6.802 0.282 22.933 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.322 -1.160 22.036 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.684 -0.671 24.503 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.110 -1.687 24.427 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.511 -2.863 23.488 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.708 -2.598 25.209 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.126 -3.927 26.424 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.828 -5.396 25.738 1.00 0.00 H new ATOM 937 N ASN A 61 -5.499 -2.887 20.770 1.00 0.00 N ATOM 938 CA ASN A 61 -6.154 -3.821 19.814 1.00 0.00 C ATOM 939 C ASN A 61 -5.516 -5.222 20.012 1.00 0.00 C ATOM 940 O ASN A 61 -4.310 -5.390 19.807 1.00 0.00 O ATOM 941 CB ASN A 61 -5.960 -3.332 18.351 1.00 0.00 C ATOM 942 CG ASN A 61 -6.582 -1.971 17.968 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.150 -1.247 18.783 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.466 -1.575 16.715 1.00 0.00 N ATOM 0 H ASN A 61 -4.486 -2.839 20.660 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.227 -3.864 20.002 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.890 -3.281 18.152 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.372 -4.090 17.685 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.846 -0.673 16.428 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.996 -2.171 16.033 1.00 0.00 H new ATOM 951 N GLU A 62 -6.333 -6.212 20.417 1.00 0.00 N ATOM 952 CA GLU A 62 -5.865 -7.590 20.740 1.00 0.00 C ATOM 953 C GLU A 62 -6.614 -8.620 19.854 1.00 0.00 C ATOM 954 O GLU A 62 -7.836 -8.557 19.675 1.00 0.00 O ATOM 955 CB GLU A 62 -5.944 -7.915 22.256 1.00 0.00 C ATOM 956 CG GLU A 62 -7.312 -7.781 22.955 1.00 0.00 C ATOM 957 CD GLU A 62 -7.253 -8.156 24.438 1.00 0.00 C ATOM 958 OE1 GLU A 62 -6.962 -7.273 25.274 1.00 0.00 O ATOM 959 OE2 GLU A 62 -7.495 -9.337 24.774 1.00 0.00 O ATOM 0 H GLU A 62 -7.339 -6.088 20.532 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.803 -7.654 20.503 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.596 -8.938 22.397 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.239 -7.265 22.774 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.667 -6.755 22.857 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.038 -8.419 22.451 1.00 0.00 H new ATOM 966 N PHE A 63 -5.839 -9.554 19.275 1.00 0.00 N ATOM 967 CA PHE A 63 -6.312 -10.429 18.172 1.00 0.00 C ATOM 968 C PHE A 63 -5.454 -11.717 18.066 1.00 0.00 C ATOM 969 O PHE A 63 -4.277 -11.736 18.428 1.00 0.00 O ATOM 970 CB PHE A 63 -6.373 -9.650 16.819 1.00 0.00 C ATOM 971 CG PHE A 63 -5.049 -9.104 16.237 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.562 -7.860 16.653 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.321 -9.847 15.300 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.368 -7.367 16.139 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.130 -9.344 14.779 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.656 -8.103 15.197 1.00 0.00 C ATOM 0 H PHE A 63 -4.873 -9.728 19.551 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.329 -10.743 18.406 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.819 -10.309 16.074 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.053 -8.808 16.948 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.116 -7.280 17.376 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.683 -10.813 14.980 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.992 -6.411 16.472 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.575 -9.917 14.051 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.735 -7.712 14.790 1.00 0.00 H new ATOM 986 N THR A 64 -6.048 -12.777 17.496 1.00 0.00 N ATOM 987 CA THR A 64 -5.300 -13.992 17.077 1.00 0.00 C ATOM 988 C THR A 64 -5.468 -14.108 15.532 1.00 0.00 C ATOM 989 O THR A 64 -6.583 -14.034 15.003 1.00 0.00 O ATOM 990 CB THR A 64 -5.789 -15.247 17.857 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.753 -15.004 19.261 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.931 -16.499 17.609 1.00 0.00 C ATOM 0 H THR A 64 -7.050 -12.825 17.310 1.00 0.00 H new ATOM 0 HA THR A 64 -4.239 -13.919 17.316 1.00 0.00 H new ATOM 0 HB THR A 64 -6.800 -15.430 17.493 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.064 -15.801 19.739 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.331 -17.334 18.185 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.949 -16.748 16.548 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.904 -16.304 17.918 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.343 -14.308 14.818 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.329 -14.448 13.332 1.00 0.00 C ATOM 1002 C VAL A 65 -4.964 -15.800 12.881 1.00 0.00 C ATOM 1003 O VAL A 65 -4.650 -16.867 13.418 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.916 -14.218 12.696 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.501 -12.732 12.731 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.776 -15.093 13.258 1.00 0.00 C ATOM 0 H VAL A 65 -3.419 -14.378 15.244 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.954 -13.643 12.945 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.054 -14.542 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.515 -12.619 12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.226 -12.139 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.469 -12.387 13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.845 -14.850 12.746 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.664 -14.903 14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.013 -16.145 13.100 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.907 -15.708 11.929 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.874 -16.801 11.654 1.00 0.00 C ATOM 1018 C GLY A 66 -8.053 -16.987 12.651 1.00 0.00 C ATOM 1019 O GLY A 66 -8.568 -18.102 12.768 1.00 0.00 O ATOM 0 H GLY A 66 -6.026 -14.889 11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.295 -16.635 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.319 -17.738 11.612 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.489 -15.910 13.333 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.638 -15.924 14.274 1.00 0.00 C ATOM 1025 C GLU A 67 -10.316 -14.525 14.221 1.00 0.00 C ATOM 1026 O GLU A 67 -9.639 -13.488 14.233 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.174 -16.300 15.704 1.00 0.00 C ATOM 1028 CG GLU A 67 -10.308 -16.627 16.699 1.00 0.00 C ATOM 1029 CD GLU A 67 -11.129 -17.878 16.367 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -10.670 -19.002 16.669 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -12.234 -17.742 15.797 1.00 0.00 O ATOM 0 H GLU A 67 -8.051 -14.993 13.248 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.364 -16.683 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.510 -17.162 15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.586 -15.475 16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.874 -16.750 17.691 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.983 -15.772 16.749 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.664 -14.507 14.204 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.456 -13.250 14.122 1.00 0.00 C ATOM 1040 C GLU A 68 -12.486 -12.540 15.508 1.00 0.00 C ATOM 1041 O GLU A 68 -13.172 -12.987 16.434 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.868 -13.572 13.561 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.640 -12.326 13.082 1.00 0.00 C ATOM 1044 CD GLU A 68 -16.000 -12.654 12.467 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.996 -12.753 13.217 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.081 -12.811 11.228 1.00 0.00 O ATOM 0 H GLU A 68 -12.235 -15.351 14.246 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.989 -12.546 13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.769 -14.270 12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.450 -14.076 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.784 -11.651 13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.036 -11.794 12.347 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.682 -11.469 15.636 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.370 -10.828 16.939 1.00 0.00 C ATOM 1055 C CYS A 69 -11.580 -9.295 16.869 1.00 0.00 C ATOM 1056 O CYS A 69 -11.248 -8.641 15.872 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.912 -11.149 17.322 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.657 -12.946 17.521 1.00 0.00 S ATOM 0 H CYS A 69 -11.227 -11.019 14.842 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.046 -11.222 17.698 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.240 -10.767 16.554 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.657 -10.639 18.251 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.721 -13.157 18.398 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.119 -8.728 17.965 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.512 -7.296 18.034 1.00 0.00 C ATOM 1066 C GLU A 70 -11.293 -6.330 18.141 1.00 0.00 C ATOM 1067 O GLU A 70 -10.459 -6.462 19.043 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.598 -7.078 19.122 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.207 -7.323 20.598 1.00 0.00 C ATOM 1070 CD GLU A 70 -14.410 -7.231 21.540 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -14.814 -6.106 21.906 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -14.965 -8.287 21.916 1.00 0.00 O ATOM 0 H GLU A 70 -12.296 -9.242 18.828 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.969 -7.028 17.081 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.954 -6.051 19.037 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.441 -7.728 18.888 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.749 -8.308 20.692 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.456 -6.593 20.899 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.207 -5.382 17.189 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.094 -4.397 17.109 1.00 0.00 C ATOM 1081 C LEU A 71 -10.681 -3.004 17.448 1.00 0.00 C ATOM 1082 O LEU A 71 -11.580 -2.524 16.750 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.470 -4.364 15.681 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.852 -5.671 15.115 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.441 -5.474 13.644 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.639 -6.175 15.917 1.00 0.00 C ATOM 0 H LEU A 71 -11.902 -5.271 16.451 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.306 -4.678 17.807 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.244 -4.036 14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.693 -3.600 15.676 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.629 -6.431 15.197 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.009 -6.398 13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.318 -5.210 13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.704 -4.674 13.576 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.259 -7.091 15.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.857 -5.415 15.910 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.941 -6.376 16.945 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.168 -2.330 18.496 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.694 -1.004 18.925 1.00 0.00 C ATOM 1100 C GLU A 72 -10.360 0.095 17.873 1.00 0.00 C ATOM 1101 O GLU A 72 -9.192 0.434 17.663 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.171 -0.674 20.348 1.00 0.00 C ATOM 1103 CG GLU A 72 -10.865 0.536 21.012 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.450 0.736 22.471 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -9.390 1.350 22.722 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.184 0.281 23.376 1.00 0.00 O ATOM 0 H GLU A 72 -9.393 -2.674 19.064 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.782 -1.038 18.981 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.304 -1.549 20.984 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.100 -0.480 20.293 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.631 1.438 20.446 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.945 0.400 20.963 1.00 0.00 H new ATOM 1113 N THR A 73 -11.401 0.610 17.192 1.00 0.00 N ATOM 1114 CA THR A 73 -11.221 1.566 16.059 1.00 0.00 C ATOM 1115 C THR A 73 -10.906 3.014 16.548 1.00 0.00 C ATOM 1116 O THR A 73 -11.175 3.397 17.694 1.00 0.00 O ATOM 1117 CB THR A 73 -12.427 1.534 15.069 1.00 0.00 C ATOM 1118 OG1 THR A 73 -13.613 2.014 15.691 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.716 0.165 14.432 1.00 0.00 C ATOM 0 H THR A 73 -12.375 0.388 17.398 1.00 0.00 H new ATOM 0 HA THR A 73 -10.346 1.228 15.505 1.00 0.00 H new ATOM 0 HB THR A 73 -12.119 2.192 14.257 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.341 2.034 15.035 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.571 0.249 13.761 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.844 -0.165 13.868 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.938 -0.561 15.214 1.00 0.00 H new ATOM 1127 N MET A 74 -10.357 3.822 15.625 1.00 0.00 N ATOM 1128 CA MET A 74 -10.069 5.271 15.847 1.00 0.00 C ATOM 1129 C MET A 74 -11.319 6.153 16.165 1.00 0.00 C ATOM 1130 O MET A 74 -11.244 6.978 17.080 1.00 0.00 O ATOM 1131 CB MET A 74 -9.257 5.827 14.650 1.00 0.00 C ATOM 1132 CG MET A 74 -7.870 5.182 14.422 1.00 0.00 C ATOM 1133 SD MET A 74 -7.525 5.056 12.653 1.00 0.00 S ATOM 1134 CE MET A 74 -8.622 3.706 12.155 1.00 0.00 C ATOM 0 H MET A 74 -10.095 3.497 14.694 1.00 0.00 H new ATOM 0 HA MET A 74 -9.474 5.330 16.758 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.849 5.701 13.744 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.119 6.899 14.795 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.099 5.779 14.909 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.842 4.192 14.877 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.744 3.717 11.072 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.189 2.754 12.462 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.594 3.833 12.631 1.00 0.00 H new ATOM 1144 N THR A 75 -12.465 5.937 15.480 1.00 0.00 N ATOM 1145 CA THR A 75 -13.792 6.475 15.912 1.00 0.00 C ATOM 1146 C THR A 75 -14.265 5.932 17.305 1.00 0.00 C ATOM 1147 O THR A 75 -14.511 6.740 18.206 1.00 0.00 O ATOM 1148 CB THR A 75 -14.891 6.298 14.817 1.00 0.00 C ATOM 1149 OG1 THR A 75 -15.066 4.925 14.474 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.647 7.089 13.522 1.00 0.00 C ATOM 0 H THR A 75 -12.505 5.391 14.619 1.00 0.00 H new ATOM 0 HA THR A 75 -13.637 7.546 16.045 1.00 0.00 H new ATOM 0 HB THR A 75 -15.790 6.705 15.281 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.761 4.845 13.788 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.462 6.903 12.823 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.600 8.154 13.749 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.705 6.772 13.074 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.376 4.598 17.472 1.00 0.00 N ATOM 1159 CA GLY A 76 -14.783 3.960 18.746 1.00 0.00 C ATOM 1160 C GLY A 76 -15.899 2.934 18.492 1.00 0.00 C ATOM 1161 O GLY A 76 -17.079 3.294 18.535 1.00 0.00 O ATOM 0 H GLY A 76 -14.186 3.929 16.726 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.925 3.469 19.206 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.129 4.719 19.447 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.516 1.679 18.190 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.464 0.634 17.694 1.00 0.00 C ATOM 1167 C GLU A 77 -16.181 -0.773 18.295 1.00 0.00 C ATOM 1168 O GLU A 77 -17.124 -1.427 18.751 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.505 0.549 16.137 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.992 1.817 15.399 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.934 1.679 13.878 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -15.827 1.785 13.302 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -17.994 1.472 13.248 1.00 0.00 O ATOM 0 H GLU A 77 -14.554 1.352 18.278 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.445 0.957 18.042 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.504 0.308 15.780 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.152 -0.282 15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.017 2.036 15.700 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.382 2.667 15.705 1.00 0.00 H new ATOM 1180 N LYS A 78 -14.922 -1.263 18.234 1.00 0.00 N ATOM 1181 CA LYS A 78 -14.534 -2.660 18.583 1.00 0.00 C ATOM 1182 C LYS A 78 -15.076 -3.663 17.521 1.00 0.00 C ATOM 1183 O LYS A 78 -16.192 -4.176 17.648 1.00 0.00 O ATOM 1184 CB LYS A 78 -14.790 -3.078 20.056 1.00 0.00 C ATOM 1185 CG LYS A 78 -14.192 -2.122 21.119 1.00 0.00 C ATOM 1186 CD LYS A 78 -14.054 -2.742 22.523 1.00 0.00 C ATOM 1187 CE LYS A 78 -12.848 -3.691 22.669 1.00 0.00 C ATOM 1188 NZ LYS A 78 -11.584 -2.994 22.965 1.00 0.00 N ATOM 0 H LYS A 78 -14.130 -0.694 17.937 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.446 -2.693 18.536 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.866 -3.149 20.216 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.378 -4.075 20.212 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.209 -1.792 20.782 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.821 -1.234 21.187 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.965 -1.941 23.256 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.966 -3.290 22.759 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.054 -4.407 23.464 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.732 -4.262 21.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.884 -3.217 22.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.750 -1.968 22.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.224 -3.305 23.890 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.294 -3.865 16.443 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.794 -4.416 15.154 1.00 0.00 C ATOM 1204 C VAL A 79 -14.241 -5.853 14.927 1.00 0.00 C ATOM 1205 O VAL A 79 -13.029 -6.052 14.790 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.477 -3.395 14.008 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -12.988 -3.224 13.622 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.288 -3.700 12.739 1.00 0.00 C ATOM 0 H VAL A 79 -13.296 -3.653 16.434 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.877 -4.535 15.167 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.775 -2.444 14.450 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.902 -2.492 12.819 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.425 -2.880 14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.587 -4.180 13.285 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.042 -2.972 11.966 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.045 -4.702 12.384 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.353 -3.643 12.965 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.145 -6.848 14.869 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.774 -8.282 14.738 1.00 0.00 C ATOM 1220 C LYS A 80 -14.314 -8.627 13.288 1.00 0.00 C ATOM 1221 O LYS A 80 -15.112 -8.600 12.346 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.898 -9.189 15.321 1.00 0.00 C ATOM 1223 CG LYS A 80 -17.196 -9.459 14.517 1.00 0.00 C ATOM 1224 CD LYS A 80 -18.078 -8.231 14.211 1.00 0.00 C ATOM 1225 CE LYS A 80 -19.371 -8.599 13.463 1.00 0.00 C ATOM 1226 NZ LYS A 80 -20.158 -7.400 13.124 1.00 0.00 N ATOM 0 H LYS A 80 -16.152 -6.689 14.911 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.894 -8.491 15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.448 -10.158 15.538 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.197 -8.756 16.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.922 -9.927 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.796 -10.182 15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.334 -7.731 15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.508 -7.519 13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.123 -9.143 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.972 -9.268 14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.023 -7.683 12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.415 -6.895 13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.593 -6.774 12.515 1.00 0.00 H new ATOM 1240 N THR A 81 -13.004 -8.893 13.130 1.00 0.00 N ATOM 1241 CA THR A 81 -12.356 -9.094 11.804 1.00 0.00 C ATOM 1242 C THR A 81 -11.247 -10.179 11.918 1.00 0.00 C ATOM 1243 O THR A 81 -10.464 -10.209 12.875 1.00 0.00 O ATOM 1244 CB THR A 81 -11.757 -7.783 11.202 1.00 0.00 C ATOM 1245 OG1 THR A 81 -10.865 -7.152 12.118 1.00 0.00 O ATOM 1246 CG2 THR A 81 -12.798 -6.752 10.742 1.00 0.00 C ATOM 0 H THR A 81 -12.357 -8.976 13.914 1.00 0.00 H new ATOM 0 HA THR A 81 -13.139 -9.422 11.120 1.00 0.00 H new ATOM 0 HB THR A 81 -11.225 -8.119 10.312 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.046 -6.890 11.649 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.289 -5.876 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.430 -7.192 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.415 -6.455 11.590 1.00 0.00 H new ATOM 1254 N VAL A 82 -11.161 -11.034 10.879 1.00 0.00 N ATOM 1255 CA VAL A 82 -10.113 -12.088 10.763 1.00 0.00 C ATOM 1256 C VAL A 82 -8.829 -11.417 10.179 1.00 0.00 C ATOM 1257 O VAL A 82 -8.848 -10.895 9.057 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.587 -13.302 9.886 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.557 -14.456 9.881 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.945 -13.919 10.297 1.00 0.00 C ATOM 0 H VAL A 82 -11.812 -11.020 10.094 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.903 -12.507 11.747 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.695 -12.854 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.928 -15.273 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.610 -14.097 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.406 -14.813 10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.184 -14.749 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.884 -14.282 11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.725 -13.161 10.226 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.725 -11.454 10.948 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.437 -10.816 10.548 1.00 0.00 C ATOM 1272 C VAL A 83 -5.565 -11.920 9.874 1.00 0.00 C ATOM 1273 O VAL A 83 -5.225 -12.919 10.514 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.716 -10.124 11.759 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.426 -9.385 11.319 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.613 -9.135 12.548 1.00 0.00 C ATOM 0 H VAL A 83 -7.690 -11.919 11.855 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.617 -10.007 9.840 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.465 -10.948 12.427 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.959 -8.920 12.187 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.733 -10.098 10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.678 -8.617 10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.041 -8.700 13.368 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.954 -8.342 11.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.475 -9.667 12.950 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.197 -11.723 8.594 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.331 -12.675 7.850 1.00 0.00 C ATOM 1288 C GLN A 84 -2.866 -12.169 7.892 1.00 0.00 C ATOM 1289 O GLN A 84 -2.562 -11.069 7.420 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.845 -12.829 6.387 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.740 -14.057 6.105 1.00 0.00 C ATOM 1292 CD GLN A 84 -7.108 -14.101 6.812 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -7.752 -13.083 7.069 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -7.590 -15.295 7.119 1.00 0.00 N ATOM 0 H GLN A 84 -5.484 -10.912 8.046 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.368 -13.659 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.403 -11.930 6.123 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.982 -12.874 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.912 -14.111 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.185 -14.952 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.051 -16.134 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.501 -15.376 7.571 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.956 -13.018 8.407 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.493 -12.807 8.263 1.00 0.00 C ATOM 1305 C LEU A 85 -0.026 -13.405 6.908 1.00 0.00 C ATOM 1306 O LEU A 85 -0.154 -14.608 6.656 1.00 0.00 O ATOM 1307 CB LEU A 85 0.266 -13.401 9.479 1.00 0.00 C ATOM 1308 CG LEU A 85 1.821 -13.302 9.466 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.370 -11.893 9.163 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.395 -13.812 10.797 1.00 0.00 C ATOM 0 H LEU A 85 -2.204 -13.859 8.928 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.264 -11.741 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.097 -12.904 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.005 -14.453 9.565 1.00 0.00 H new ATOM 0 HG LEU A 85 2.148 -13.933 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.460 -11.917 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.024 -11.571 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.015 -11.194 9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.482 -13.738 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.006 -13.208 11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.105 -14.852 10.944 1.00 0.00 H new ATOM 1322 N GLU A 86 0.527 -12.520 6.065 1.00 0.00 N ATOM 1323 CA GLU A 86 1.058 -12.878 4.729 1.00 0.00 C ATOM 1324 C GLU A 86 2.605 -12.868 4.771 1.00 0.00 C ATOM 1325 O GLU A 86 3.235 -11.871 5.147 1.00 0.00 O ATOM 1326 CB GLU A 86 0.525 -11.902 3.647 1.00 0.00 C ATOM 1327 CG GLU A 86 -0.953 -12.140 3.280 1.00 0.00 C ATOM 1328 CD GLU A 86 -1.446 -11.208 2.172 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -1.252 -11.529 0.978 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -2.031 -10.150 2.488 1.00 0.00 O ATOM 0 H GLU A 86 0.622 -11.529 6.287 1.00 0.00 H new ATOM 0 HA GLU A 86 0.718 -13.879 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.643 -10.878 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.135 -12.000 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.082 -13.175 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.570 -12.000 4.168 1.00 0.00 H new ATOM 1337 N GLY A 87 3.196 -14.009 4.373 1.00 0.00 N ATOM 1338 CA GLY A 87 4.664 -14.181 4.331 1.00 0.00 C ATOM 1339 C GLY A 87 5.275 -14.455 5.719 1.00 0.00 C ATOM 1340 O GLY A 87 5.174 -15.571 6.236 1.00 0.00 O ATOM 0 H GLY A 87 2.676 -14.834 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.909 -15.006 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.118 -13.284 3.910 1.00 0.00 H new ATOM 1344 N ASP A 88 5.905 -13.418 6.293 1.00 0.00 N ATOM 1345 CA ASP A 88 6.537 -13.479 7.646 1.00 0.00 C ATOM 1346 C ASP A 88 6.279 -12.218 8.524 1.00 0.00 C ATOM 1347 O ASP A 88 6.127 -12.355 9.741 1.00 0.00 O ATOM 1348 CB ASP A 88 8.064 -13.771 7.567 1.00 0.00 C ATOM 1349 CG ASP A 88 8.440 -15.172 7.063 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.405 -16.133 7.864 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.762 -15.318 5.862 1.00 0.00 O ATOM 0 H ASP A 88 5.998 -12.508 5.842 1.00 0.00 H new ATOM 0 HA ASP A 88 6.042 -14.315 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.525 -13.032 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.495 -13.632 8.558 1.00 0.00 H new ATOM 1356 N ASN A 89 6.279 -11.011 7.928 1.00 0.00 N ATOM 1357 CA ASN A 89 6.135 -9.725 8.656 1.00 0.00 C ATOM 1358 C ASN A 89 5.246 -8.692 7.887 1.00 0.00 C ATOM 1359 O ASN A 89 5.656 -7.546 7.678 1.00 0.00 O ATOM 1360 CB ASN A 89 7.544 -9.208 9.073 1.00 0.00 C ATOM 1361 CG ASN A 89 8.561 -8.798 7.976 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.289 -8.807 6.774 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.766 -8.428 8.380 1.00 0.00 N ATOM 0 H ASN A 89 6.379 -10.894 6.920 1.00 0.00 H new ATOM 0 HA ASN A 89 5.576 -9.887 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.397 -8.344 9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.011 -9.985 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.470 -8.150 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.990 -8.421 9.375 1.00 0.00 H new ATOM 1370 N LYS A 90 4.013 -9.088 7.503 1.00 0.00 N ATOM 1371 CA LYS A 90 3.061 -8.202 6.774 1.00 0.00 C ATOM 1372 C LYS A 90 1.606 -8.625 7.126 1.00 0.00 C ATOM 1373 O LYS A 90 1.083 -9.599 6.580 1.00 0.00 O ATOM 1374 CB LYS A 90 3.393 -8.229 5.253 1.00 0.00 C ATOM 1375 CG LYS A 90 2.614 -7.248 4.343 1.00 0.00 C ATOM 1376 CD LYS A 90 1.467 -7.902 3.541 1.00 0.00 C ATOM 1377 CE LYS A 90 0.932 -6.995 2.417 1.00 0.00 C ATOM 1378 NZ LYS A 90 -0.130 -7.658 1.642 1.00 0.00 N ATOM 0 H LYS A 90 3.646 -10.022 7.685 1.00 0.00 H new ATOM 0 HA LYS A 90 3.159 -7.161 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.458 -8.026 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.219 -9.241 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.202 -6.449 4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.312 -6.785 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.820 -8.838 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.651 -8.151 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.546 -6.071 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.750 -6.719 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.871 -6.967 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.272 -8.048 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.542 -8.428 2.206 1.00 0.00 H new ATOM 1392 N LEU A 91 0.960 -7.869 8.036 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.422 -8.156 8.516 1.00 0.00 C ATOM 1394 C LEU A 91 -1.450 -7.297 7.731 1.00 0.00 C ATOM 1395 O LEU A 91 -1.335 -6.069 7.686 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.562 -7.812 10.028 1.00 0.00 C ATOM 1397 CG LEU A 91 0.271 -8.648 11.036 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.485 -7.874 12.350 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.371 -10.017 11.320 1.00 0.00 C ATOM 0 H LEU A 91 1.375 -7.041 8.464 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.614 -9.217 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.295 -6.763 10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.613 -7.910 10.299 1.00 0.00 H new ATOM 0 HG LEU A 91 1.241 -8.828 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.071 -8.482 13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.017 -6.945 12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.481 -7.646 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.246 -10.568 12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.366 -9.872 11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.448 -10.583 10.391 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.483 -7.947 7.173 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.633 -7.263 6.524 1.00 0.00 C ATOM 1413 C VAL A 92 -4.886 -7.376 7.443 1.00 0.00 C ATOM 1414 O VAL A 92 -5.270 -8.479 7.852 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.911 -7.805 5.081 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -2.868 -7.301 4.061 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -4.096 -9.332 4.924 1.00 0.00 C ATOM 0 H VAL A 92 -2.553 -8.964 7.155 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.383 -6.210 6.398 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.893 -7.383 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.101 -7.702 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.891 -6.212 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.874 -7.633 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.281 -9.570 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.194 -9.844 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.943 -9.660 5.526 1.00 0.00 H new ATOM 1427 N THR A 93 -5.536 -6.230 7.728 1.00 0.00 N ATOM 1428 CA THR A 93 -6.850 -6.205 8.433 1.00 0.00 C ATOM 1429 C THR A 93 -7.723 -5.044 7.887 1.00 0.00 C ATOM 1430 O THR A 93 -7.444 -3.863 8.112 1.00 0.00 O ATOM 1431 CB THR A 93 -6.731 -6.220 9.985 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.032 -6.349 10.550 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.023 -5.031 10.658 1.00 0.00 C ATOM 0 H THR A 93 -5.179 -5.306 7.484 1.00 0.00 H new ATOM 0 HA THR A 93 -7.362 -7.141 8.209 1.00 0.00 H new ATOM 0 HB THR A 93 -6.080 -7.071 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.350 -5.470 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.014 -5.177 11.738 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.998 -4.964 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.554 -4.109 10.420 1.00 0.00 H new ATOM 1441 N THR A 94 -8.804 -5.425 7.194 1.00 0.00 N ATOM 1442 CA THR A 94 -9.764 -4.488 6.556 1.00 0.00 C ATOM 1443 C THR A 94 -11.116 -4.522 7.323 1.00 0.00 C ATOM 1444 O THR A 94 -11.689 -5.591 7.564 1.00 0.00 O ATOM 1445 CB THR A 94 -9.856 -4.751 5.027 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.780 -3.844 4.433 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.218 -6.184 4.599 1.00 0.00 C ATOM 0 H THR A 94 -9.048 -6.405 7.053 1.00 0.00 H new ATOM 0 HA THR A 94 -9.411 -3.460 6.632 1.00 0.00 H new ATOM 0 HB THR A 94 -8.838 -4.596 4.671 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.832 -4.014 3.469 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.251 -6.241 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.466 -6.877 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.193 -6.450 5.006 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.593 -3.325 7.712 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.728 -3.161 8.658 1.00 0.00 C ATOM 1457 C PHE A 95 -13.806 -2.245 8.016 1.00 0.00 C ATOM 1458 O PHE A 95 -14.605 -2.757 7.224 1.00 0.00 O ATOM 1459 CB PHE A 95 -12.258 -2.844 10.116 1.00 0.00 C ATOM 1460 CG PHE A 95 -11.188 -1.758 10.369 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -9.831 -2.080 10.239 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -11.547 -0.466 10.776 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.852 -1.122 10.483 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -10.565 0.491 11.022 1.00 0.00 C ATOM 1465 CZ PHE A 95 -9.220 0.162 10.874 1.00 0.00 C ATOM 0 H PHE A 95 -11.207 -2.440 7.383 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.242 -4.108 8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -13.143 -2.565 10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.883 -3.774 10.544 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.543 -3.079 9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.589 -0.211 10.899 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.808 -1.374 10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.847 1.488 11.327 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.460 0.906 11.063 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.852 -0.934 8.331 1.00 0.00 N ATOM 1476 CA LYS A 96 -14.898 -0.010 7.806 1.00 0.00 C ATOM 1477 C LYS A 96 -14.300 0.834 6.645 1.00 0.00 C ATOM 1478 O LYS A 96 -13.927 1.999 6.823 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.483 0.869 8.952 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.154 0.161 10.154 1.00 0.00 C ATOM 1481 CD LYS A 96 -17.309 -0.801 9.806 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.078 -1.277 11.051 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.091 -2.293 10.714 1.00 0.00 N ATOM 0 H LYS A 96 -13.177 -0.483 8.949 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.734 -0.583 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.675 1.489 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.218 1.543 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.391 -0.398 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.533 0.923 10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.999 -0.303 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -16.909 -1.666 9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.376 -1.690 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.563 -0.424 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.588 -2.588 11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.775 -1.891 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.626 -3.117 10.283 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.177 0.208 5.453 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.442 0.775 4.275 1.00 0.00 C ATOM 1499 C ASN A 97 -11.938 1.185 4.510 1.00 0.00 C ATOM 1500 O ASN A 97 -11.434 2.095 3.845 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.273 1.890 3.556 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.662 1.478 3.023 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -16.677 1.635 3.702 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -15.736 0.947 1.812 1.00 0.00 N ATOM 0 H ASN A 97 -14.583 -0.710 5.269 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.347 -0.073 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.407 2.718 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.685 2.268 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.640 0.664 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.889 0.821 1.258 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.223 0.521 5.445 1.00 0.00 N ATOM 1512 CA ILE A 98 -9.860 0.931 5.886 1.00 0.00 C ATOM 1513 C ILE A 98 -9.052 -0.391 5.975 1.00 0.00 C ATOM 1514 O ILE A 98 -9.155 -1.105 6.978 1.00 0.00 O ATOM 1515 CB ILE A 98 -9.881 1.736 7.242 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.654 3.089 7.170 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.454 2.009 7.786 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -11.176 3.604 8.522 1.00 0.00 C ATOM 0 H ILE A 98 -11.569 -0.314 5.918 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.400 1.627 5.185 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.420 1.080 7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.998 3.844 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.498 2.974 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.521 2.566 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.945 1.062 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.892 2.592 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.699 4.549 8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.861 2.872 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.338 3.757 9.202 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.203 -0.667 4.963 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.207 -1.767 5.042 1.00 0.00 C ATOM 1532 C LYS A 99 -5.927 -1.241 5.745 1.00 0.00 C ATOM 1533 O LYS A 99 -5.270 -0.313 5.265 1.00 0.00 O ATOM 1534 CB LYS A 99 -6.927 -2.389 3.651 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.070 -3.679 3.728 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.989 -4.505 2.435 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.200 -3.834 1.295 1.00 0.00 C ATOM 1538 NZ LYS A 99 -5.129 -4.703 0.106 1.00 0.00 N ATOM 0 H LYS A 99 -8.183 -0.149 4.084 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.610 -2.583 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.875 -2.617 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.416 -1.656 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.058 -3.403 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.472 -4.313 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.528 -5.466 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.001 -4.711 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.674 -2.889 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.192 -3.600 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.591 -4.223 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.655 -5.594 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.091 -4.906 -0.234 1.00 0.00 H new ATOM 1552 N SER A 100 -5.614 -1.873 6.886 1.00 0.00 N ATOM 1553 CA SER A 100 -4.457 -1.496 7.736 1.00 0.00 C ATOM 1554 C SER A 100 -3.310 -2.497 7.463 1.00 0.00 C ATOM 1555 O SER A 100 -3.358 -3.653 7.900 1.00 0.00 O ATOM 1556 CB SER A 100 -4.878 -1.464 9.222 1.00 0.00 C ATOM 1557 OG SER A 100 -3.814 -0.983 10.035 1.00 0.00 O ATOM 0 H SER A 100 -6.150 -2.660 7.252 1.00 0.00 H new ATOM 0 HA SER A 100 -4.104 -0.494 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.753 -0.825 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.166 -2.464 9.545 1.00 0.00 H new ATOM 0 HG SER A 100 -4.100 -0.968 10.972 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.297 -2.033 6.710 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.177 -2.895 6.243 1.00 0.00 C ATOM 1565 C VAL A 101 0.019 -2.611 7.189 1.00 0.00 C ATOM 1566 O VAL A 101 0.756 -1.639 7.007 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.850 -2.656 4.732 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.368 -3.474 4.243 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -2.051 -2.987 3.822 1.00 0.00 C ATOM 0 H VAL A 101 -2.224 -1.062 6.406 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.440 -3.952 6.292 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.613 -1.594 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.546 -3.266 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.249 -3.196 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.169 -4.537 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.780 -2.807 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.326 -4.034 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.897 -2.354 4.091 1.00 0.00 H new ATOM 1579 N THR A 102 0.190 -3.493 8.181 1.00 0.00 N ATOM 1580 CA THR A 102 1.209 -3.333 9.255 1.00 0.00 C ATOM 1581 C THR A 102 2.467 -4.158 8.842 1.00 0.00 C ATOM 1582 O THR A 102 2.603 -5.333 9.198 1.00 0.00 O ATOM 1583 CB THR A 102 0.588 -3.747 10.624 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.659 -3.094 10.844 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.489 -3.443 11.830 1.00 0.00 C ATOM 0 H THR A 102 -0.368 -4.342 8.272 1.00 0.00 H new ATOM 0 HA THR A 102 1.526 -2.298 9.379 1.00 0.00 H new ATOM 0 HB THR A 102 0.459 -4.827 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.501 -2.216 11.251 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.990 -3.759 12.746 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.431 -3.982 11.726 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.687 -2.372 11.875 1.00 0.00 H new ATOM 1593 N GLU A 103 3.362 -3.523 8.060 1.00 0.00 N ATOM 1594 CA GLU A 103 4.545 -4.191 7.460 1.00 0.00 C ATOM 1595 C GLU A 103 5.820 -3.733 8.217 1.00 0.00 C ATOM 1596 O GLU A 103 6.122 -2.539 8.286 1.00 0.00 O ATOM 1597 CB GLU A 103 4.611 -3.853 5.947 1.00 0.00 C ATOM 1598 CG GLU A 103 5.675 -4.653 5.162 1.00 0.00 C ATOM 1599 CD GLU A 103 5.747 -4.248 3.690 1.00 0.00 C ATOM 1600 OE1 GLU A 103 4.931 -4.746 2.883 1.00 0.00 O ATOM 1601 OE2 GLU A 103 6.620 -3.427 3.332 1.00 0.00 O ATOM 0 H GLU A 103 3.290 -2.533 7.824 1.00 0.00 H new ATOM 0 HA GLU A 103 4.469 -5.274 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.633 -4.038 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.817 -2.789 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.651 -4.504 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.449 -5.717 5.232 1.00 0.00 H new ATOM 1608 N LEU A 104 6.584 -4.704 8.739 1.00 0.00 N ATOM 1609 CA LEU A 104 7.840 -4.439 9.489 1.00 0.00 C ATOM 1610 C LEU A 104 9.021 -4.281 8.487 1.00 0.00 C ATOM 1611 O LEU A 104 9.312 -5.204 7.718 1.00 0.00 O ATOM 1612 CB LEU A 104 8.072 -5.608 10.490 1.00 0.00 C ATOM 1613 CG LEU A 104 8.804 -5.295 11.822 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.893 -6.591 12.650 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.206 -4.677 11.675 1.00 0.00 C ATOM 0 H LEU A 104 6.357 -5.695 8.658 1.00 0.00 H new ATOM 0 HA LEU A 104 7.770 -3.510 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.099 -6.034 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.638 -6.383 9.973 1.00 0.00 H new ATOM 0 HG LEU A 104 8.210 -4.528 12.320 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.405 -6.388 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.889 -6.960 12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.448 -7.343 12.090 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.630 -4.497 12.663 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.850 -5.362 11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.133 -3.733 11.134 1.00 0.00 H new ATOM 1627 N ASN A 105 9.687 -3.111 8.504 1.00 0.00 N ATOM 1628 CA ASN A 105 10.852 -2.827 7.619 1.00 0.00 C ATOM 1629 C ASN A 105 12.082 -2.475 8.509 1.00 0.00 C ATOM 1630 O ASN A 105 12.453 -1.303 8.649 1.00 0.00 O ATOM 1631 CB ASN A 105 10.518 -1.712 6.582 1.00 0.00 C ATOM 1632 CG ASN A 105 9.448 -2.065 5.527 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.744 -2.586 4.453 1.00 0.00 O ATOM 1634 ND2 ASN A 105 8.190 -1.784 5.821 1.00 0.00 N ATOM 0 H ASN A 105 9.442 -2.337 9.122 1.00 0.00 H new ATOM 0 HA ASN A 105 11.096 -3.711 7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.186 -0.827 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.437 -1.441 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.450 -1.999 5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.960 -1.352 6.716 1.00 0.00 H new ATOM 1641 N GLY A 106 12.712 -3.507 9.108 1.00 0.00 N ATOM 1642 CA GLY A 106 13.925 -3.340 9.947 1.00 0.00 C ATOM 1643 C GLY A 106 13.620 -2.817 11.366 1.00 0.00 C ATOM 1644 O GLY A 106 13.141 -3.568 12.218 1.00 0.00 O ATOM 0 H GLY A 106 12.400 -4.475 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.440 -4.298 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.608 -2.650 9.452 1.00 0.00 H new ATOM 1648 N ASP A 107 13.874 -1.518 11.580 1.00 0.00 N ATOM 1649 CA ASP A 107 13.332 -0.764 12.748 1.00 0.00 C ATOM 1650 C ASP A 107 11.922 -0.155 12.463 1.00 0.00 C ATOM 1651 O ASP A 107 11.049 -0.243 13.329 1.00 0.00 O ATOM 1652 CB ASP A 107 14.326 0.337 13.218 1.00 0.00 C ATOM 1653 CG ASP A 107 15.592 -0.171 13.928 1.00 0.00 C ATOM 1654 OD1 ASP A 107 16.498 -0.700 13.246 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.690 -0.035 15.168 1.00 0.00 O ATOM 0 H ASP A 107 14.455 -0.953 10.961 1.00 0.00 H new ATOM 0 HA ASP A 107 13.211 -1.485 13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.628 0.923 12.350 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.800 1.013 13.892 1.00 0.00 H new ATOM 1660 N ILE A 108 11.692 0.470 11.285 1.00 0.00 N ATOM 1661 CA ILE A 108 10.462 1.250 10.989 1.00 0.00 C ATOM 1662 C ILE A 108 9.313 0.260 10.626 1.00 0.00 C ATOM 1663 O ILE A 108 9.312 -0.326 9.540 1.00 0.00 O ATOM 1664 CB ILE A 108 10.726 2.337 9.881 1.00 0.00 C ATOM 1665 CG1 ILE A 108 11.794 3.420 10.254 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.430 3.095 9.489 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.263 3.045 9.999 1.00 0.00 C ATOM 0 H ILE A 108 12.354 0.449 10.509 1.00 0.00 H new ATOM 0 HA ILE A 108 10.153 1.811 11.871 1.00 0.00 H new ATOM 0 HB ILE A 108 11.113 1.747 9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.571 4.328 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.681 3.662 11.311 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.659 3.835 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.697 2.387 9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.022 3.596 10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.907 3.873 10.296 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.519 2.160 10.581 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.406 2.836 8.939 1.00 0.00 H new ATOM 1679 N ILE A 109 8.312 0.154 11.519 1.00 0.00 N ATOM 1680 CA ILE A 109 7.027 -0.535 11.225 1.00 0.00 C ATOM 1681 C ILE A 109 6.076 0.494 10.537 1.00 0.00 C ATOM 1682 O ILE A 109 5.704 1.519 11.119 1.00 0.00 O ATOM 1683 CB ILE A 109 6.457 -1.251 12.498 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.372 -2.302 12.137 1.00 0.00 C ATOM 1685 CG2 ILE A 109 5.966 -0.295 13.612 1.00 0.00 C ATOM 1686 CD1 ILE A 109 4.907 -3.156 13.324 1.00 0.00 C ATOM 0 H ILE A 109 8.363 0.539 12.462 1.00 0.00 H new ATOM 0 HA ILE A 109 7.161 -1.357 10.522 1.00 0.00 H new ATOM 0 HB ILE A 109 7.314 -1.773 12.924 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.509 -1.787 11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.763 -2.960 11.361 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.589 -0.878 14.452 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.794 0.330 13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.168 0.338 13.223 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.150 -3.864 12.988 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.757 -3.701 13.735 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.484 -2.510 14.093 1.00 0.00 H new ATOM 1698 N THR A 110 5.736 0.211 9.273 1.00 0.00 N ATOM 1699 CA THR A 110 4.972 1.133 8.398 1.00 0.00 C ATOM 1700 C THR A 110 3.501 0.622 8.377 1.00 0.00 C ATOM 1701 O THR A 110 3.188 -0.352 7.686 1.00 0.00 O ATOM 1702 CB THR A 110 5.650 1.173 6.993 1.00 0.00 C ATOM 1703 OG1 THR A 110 7.021 1.549 7.109 1.00 0.00 O ATOM 1704 CG2 THR A 110 5.003 2.166 6.018 1.00 0.00 C ATOM 0 H THR A 110 5.981 -0.668 8.818 1.00 0.00 H new ATOM 0 HA THR A 110 4.966 2.162 8.758 1.00 0.00 H new ATOM 0 HB THR A 110 5.530 0.164 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.432 1.568 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.530 2.135 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.958 1.896 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.061 3.173 6.432 1.00 0.00 H new ATOM 1712 N ASN A 111 2.623 1.281 9.157 1.00 0.00 N ATOM 1713 CA ASN A 111 1.202 0.873 9.320 1.00 0.00 C ATOM 1714 C ASN A 111 0.340 1.817 8.443 1.00 0.00 C ATOM 1715 O ASN A 111 0.093 2.973 8.800 1.00 0.00 O ATOM 1716 CB ASN A 111 0.882 0.862 10.842 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.528 0.440 11.304 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -0.703 -0.572 11.979 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.556 1.223 11.019 1.00 0.00 N ATOM 0 H ASN A 111 2.872 2.111 9.694 1.00 0.00 H new ATOM 0 HA ASN A 111 0.979 -0.135 8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.599 0.198 11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.068 1.865 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.488 0.985 11.359 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.417 2.064 10.459 1.00 0.00 H new ATOM 1726 N THR A 112 -0.092 1.295 7.282 1.00 0.00 N ATOM 1727 CA THR A 112 -0.686 2.112 6.194 1.00 0.00 C ATOM 1728 C THR A 112 -2.224 1.880 6.187 1.00 0.00 C ATOM 1729 O THR A 112 -2.724 0.936 5.567 1.00 0.00 O ATOM 1730 CB THR A 112 0.021 1.767 4.848 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.434 1.912 4.970 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.412 2.669 3.685 1.00 0.00 C ATOM 0 H THR A 112 -0.042 0.299 7.066 1.00 0.00 H new ATOM 0 HA THR A 112 -0.529 3.179 6.350 1.00 0.00 H new ATOM 0 HB THR A 112 -0.267 0.738 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.861 1.690 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.118 2.374 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.486 2.568 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.176 3.707 3.922 1.00 0.00 H new ATOM 1740 N MET A 113 -2.951 2.783 6.867 1.00 0.00 N ATOM 1741 CA MET A 113 -4.434 2.819 6.863 1.00 0.00 C ATOM 1742 C MET A 113 -4.920 3.749 5.724 1.00 0.00 C ATOM 1743 O MET A 113 -4.724 4.966 5.782 1.00 0.00 O ATOM 1744 CB MET A 113 -4.952 3.325 8.235 1.00 0.00 C ATOM 1745 CG MET A 113 -5.000 2.253 9.321 1.00 0.00 C ATOM 1746 SD MET A 113 -5.854 2.938 10.749 1.00 0.00 S ATOM 1747 CE MET A 113 -4.564 2.842 11.990 1.00 0.00 C ATOM 0 H MET A 113 -2.530 3.515 7.439 1.00 0.00 H new ATOM 0 HA MET A 113 -4.825 1.816 6.694 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.313 4.141 8.573 1.00 0.00 H new ATOM 0 HB3 MET A 113 -5.952 3.738 8.103 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.519 1.366 8.957 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.991 1.943 9.594 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.909 3.312 12.911 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.323 1.797 12.184 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.674 3.359 11.631 1.00 0.00 H new ATOM 1757 N THR A 114 -5.554 3.158 4.699 1.00 0.00 N ATOM 1758 CA THR A 114 -6.047 3.907 3.514 1.00 0.00 C ATOM 1759 C THR A 114 -7.598 3.832 3.516 1.00 0.00 C ATOM 1760 O THR A 114 -8.187 2.763 3.330 1.00 0.00 O ATOM 1761 CB THR A 114 -5.407 3.354 2.209 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.987 3.442 2.288 1.00 0.00 O ATOM 1763 CG2 THR A 114 -5.837 4.103 0.932 1.00 0.00 C ATOM 0 H THR A 114 -5.742 2.156 4.660 1.00 0.00 H new ATOM 0 HA THR A 114 -5.752 4.955 3.561 1.00 0.00 H new ATOM 0 HB THR A 114 -5.756 2.324 2.133 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.591 3.090 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.348 3.657 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.918 4.031 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.550 5.151 1.011 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.232 5.005 3.668 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.705 5.172 3.538 1.00 0.00 C ATOM 1773 C LEU A 115 -10.172 5.065 2.052 1.00 0.00 C ATOM 1774 O LEU A 115 -10.946 4.163 1.716 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.112 6.488 4.266 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.617 6.874 4.285 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.504 5.825 4.983 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.810 8.256 4.940 1.00 0.00 C ATOM 0 H LEU A 115 -7.744 5.874 3.886 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.234 4.354 4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.772 6.417 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.562 7.309 3.805 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.939 6.913 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.543 6.155 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.416 4.871 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.182 5.706 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.870 8.511 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.438 8.228 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.259 9.007 4.374 1.00 0.00 H new ATOM 1790 N GLY A 116 -9.680 5.967 1.188 1.00 0.00 N ATOM 1791 CA GLY A 116 -9.911 5.904 -0.269 1.00 0.00 C ATOM 1792 C GLY A 116 -8.772 6.648 -0.980 1.00 0.00 C ATOM 1793 O GLY A 116 -7.796 6.024 -1.409 1.00 0.00 O ATOM 0 H GLY A 116 -9.110 6.762 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.950 4.867 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.871 6.355 -0.519 1.00 0.00 H new ATOM 1797 N ASP A 117 -8.890 7.985 -1.052 1.00 0.00 N ATOM 1798 CA ASP A 117 -7.757 8.880 -1.431 1.00 0.00 C ATOM 1799 C ASP A 117 -6.726 9.187 -0.291 1.00 0.00 C ATOM 1800 O ASP A 117 -5.552 9.415 -0.596 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.290 10.173 -2.112 1.00 0.00 C ATOM 1802 CG ASP A 117 -9.081 11.166 -1.237 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -10.287 10.936 -0.998 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.492 12.171 -0.782 1.00 0.00 O ATOM 0 H ASP A 117 -9.758 8.482 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.168 8.313 -2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.439 10.704 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.928 9.876 -2.944 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.155 9.222 0.992 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.312 9.672 2.135 1.00 0.00 C ATOM 1811 C ILE A 118 -5.489 8.447 2.636 1.00 0.00 C ATOM 1812 O ILE A 118 -6.061 7.445 3.078 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.196 10.323 3.261 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.031 11.550 2.771 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.332 10.747 4.479 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.149 12.023 3.714 1.00 0.00 C ATOM 0 H ILE A 118 -8.095 8.940 1.269 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.618 10.452 1.822 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.901 9.546 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.350 12.383 2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.476 11.300 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.971 11.194 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.832 9.871 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.585 11.474 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.660 12.878 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.862 11.213 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.718 12.313 4.672 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.150 8.575 2.593 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.213 7.515 3.055 1.00 0.00 C ATOM 1830 C VAL A 119 -2.609 8.015 4.404 1.00 0.00 C ATOM 1831 O VAL A 119 -1.668 8.815 4.427 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.138 7.175 1.962 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.163 6.065 2.419 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.734 6.726 0.604 1.00 0.00 C ATOM 0 H VAL A 119 -3.681 9.409 2.240 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.726 6.568 3.220 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.614 8.121 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.440 5.867 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.638 6.389 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.723 5.155 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.926 6.510 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.337 5.829 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.360 7.522 0.200 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.153 7.498 5.520 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.591 7.700 6.882 1.00 0.00 C ATOM 1846 C PHE A 120 -1.499 6.623 7.144 1.00 0.00 C ATOM 1847 O PHE A 120 -1.806 5.480 7.490 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.761 7.643 7.908 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.432 7.658 9.420 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.469 8.522 9.957 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -4.115 6.786 10.278 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.203 8.522 11.323 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.839 6.778 11.642 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.892 7.654 12.165 1.00 0.00 C ATOM 0 H PHE A 120 -3.997 6.926 5.511 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.110 8.673 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.418 8.489 7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.334 6.738 7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.929 9.193 9.306 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.861 6.115 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.463 9.195 11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.359 6.092 12.294 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.692 7.660 13.226 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.228 7.022 6.984 1.00 0.00 N ATOM 1865 CA LYS A 121 0.937 6.115 7.130 1.00 0.00 C ATOM 1866 C LYS A 121 1.683 6.487 8.440 1.00 0.00 C ATOM 1867 O LYS A 121 2.297 7.556 8.542 1.00 0.00 O ATOM 1868 CB LYS A 121 1.805 6.236 5.851 1.00 0.00 C ATOM 1869 CG LYS A 121 2.967 5.225 5.740 1.00 0.00 C ATOM 1870 CD LYS A 121 3.833 5.396 4.473 1.00 0.00 C ATOM 1871 CE LYS A 121 3.143 4.974 3.161 1.00 0.00 C ATOM 1872 NZ LYS A 121 4.055 5.095 2.010 1.00 0.00 N ATOM 0 H LYS A 121 0.029 7.981 6.750 1.00 0.00 H new ATOM 0 HA LYS A 121 0.649 5.067 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.159 6.117 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.218 7.244 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.605 5.323 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.558 4.215 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.131 6.441 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.746 4.813 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.796 3.944 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.262 5.594 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.560 4.804 1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.366 6.083 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.883 4.484 2.158 1.00 0.00 H new ATOM 1886 N ARG A 122 1.629 5.575 9.429 1.00 0.00 N ATOM 1887 CA ARG A 122 2.341 5.733 10.722 1.00 0.00 C ATOM 1888 C ARG A 122 3.770 5.151 10.580 1.00 0.00 C ATOM 1889 O ARG A 122 3.958 3.943 10.407 1.00 0.00 O ATOM 1890 CB ARG A 122 1.570 5.037 11.873 1.00 0.00 C ATOM 1891 CG ARG A 122 0.289 5.774 12.330 1.00 0.00 C ATOM 1892 CD ARG A 122 -0.281 5.327 13.690 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.792 3.931 13.688 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.858 3.498 14.391 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -2.666 4.294 15.091 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.125 2.205 14.383 1.00 0.00 N ATOM 0 H ARG A 122 1.094 4.709 9.360 1.00 0.00 H new ATOM 0 HA ARG A 122 2.403 6.792 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.300 4.030 11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.238 4.932 12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.502 6.842 12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.480 5.636 11.570 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.496 5.420 14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.089 6.001 13.976 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.299 3.249 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -2.495 5.299 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -3.456 3.898 15.601 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.532 1.565 13.855 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.924 1.846 14.905 1.00 0.00 H new ATOM 1910 N ILE A 123 4.763 6.050 10.646 1.00 0.00 N ATOM 1911 CA ILE A 123 6.191 5.722 10.376 1.00 0.00 C ATOM 1912 C ILE A 123 6.834 5.588 11.789 1.00 0.00 C ATOM 1913 O ILE A 123 7.193 6.590 12.412 1.00 0.00 O ATOM 1914 CB ILE A 123 6.810 6.827 9.446 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.109 6.923 8.049 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.334 6.650 9.237 1.00 0.00 C ATOM 1917 CD1 ILE A 123 6.319 8.239 7.284 1.00 0.00 C ATOM 0 H ILE A 123 4.610 7.029 10.887 1.00 0.00 H new ATOM 0 HA ILE A 123 6.359 4.795 9.827 1.00 0.00 H new ATOM 0 HB ILE A 123 6.634 7.759 9.983 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.466 6.102 7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.039 6.773 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.706 7.441 8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.842 6.703 10.200 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.528 5.681 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.790 8.195 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.933 9.069 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.383 8.388 7.101 1.00 0.00 H new ATOM 1929 N SER A 124 6.910 4.343 12.295 1.00 0.00 N ATOM 1930 CA SER A 124 7.140 4.073 13.741 1.00 0.00 C ATOM 1931 C SER A 124 8.476 3.315 13.946 1.00 0.00 C ATOM 1932 O SER A 124 8.548 2.095 13.787 1.00 0.00 O ATOM 1933 CB SER A 124 5.925 3.305 14.320 1.00 0.00 C ATOM 1934 OG SER A 124 4.777 4.140 14.406 1.00 0.00 O ATOM 0 H SER A 124 6.816 3.500 11.728 1.00 0.00 H new ATOM 0 HA SER A 124 7.229 5.013 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.704 2.443 13.690 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.173 2.922 15.310 1.00 0.00 H new ATOM 0 HG SER A 124 4.027 3.628 14.773 1.00 0.00 H new ATOM 1940 N LYS A 125 9.534 4.049 14.331 1.00 0.00 N ATOM 1941 CA LYS A 125 10.888 3.477 14.559 1.00 0.00 C ATOM 1942 C LYS A 125 10.957 2.661 15.885 1.00 0.00 C ATOM 1943 O LYS A 125 10.436 3.085 16.922 1.00 0.00 O ATOM 1944 CB LYS A 125 11.903 4.651 14.541 1.00 0.00 C ATOM 1945 CG LYS A 125 13.395 4.240 14.538 1.00 0.00 C ATOM 1946 CD LYS A 125 14.385 5.422 14.493 1.00 0.00 C ATOM 1947 CE LYS A 125 14.447 6.245 15.794 1.00 0.00 C ATOM 1948 NZ LYS A 125 15.452 7.319 15.706 1.00 0.00 N ATOM 0 H LYS A 125 9.483 5.054 14.495 1.00 0.00 H new ATOM 0 HA LYS A 125 11.132 2.766 13.769 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.710 5.262 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.719 5.281 15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.597 3.647 15.430 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.579 3.595 13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.381 5.039 14.271 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.107 6.083 13.672 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.468 6.678 15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.687 5.588 16.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.468 7.853 16.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.390 6.904 15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.208 7.959 14.923 1.00 0.00 H new ATOM 1962 N ARG A 126 11.655 1.509 15.833 1.00 0.00 N ATOM 1963 CA ARG A 126 11.890 0.638 17.014 1.00 0.00 C ATOM 1964 C ARG A 126 12.930 1.299 17.962 1.00 0.00 C ATOM 1965 O ARG A 126 14.088 1.508 17.583 1.00 0.00 O ATOM 1966 CB ARG A 126 12.330 -0.769 16.526 1.00 0.00 C ATOM 1967 CG ARG A 126 12.316 -1.904 17.587 1.00 0.00 C ATOM 1968 CD ARG A 126 13.698 -2.485 17.950 1.00 0.00 C ATOM 1969 NE ARG A 126 14.494 -1.563 18.800 1.00 0.00 N ATOM 1970 CZ ARG A 126 15.839 -1.517 18.838 1.00 0.00 C ATOM 1971 NH1 ARG A 126 16.635 -2.301 18.114 1.00 0.00 N ATOM 1972 NH2 ARG A 126 16.403 -0.638 19.645 1.00 0.00 N ATOM 0 H ARG A 126 12.074 1.152 14.974 1.00 0.00 H new ATOM 0 HA ARG A 126 10.973 0.517 17.590 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.680 -1.064 15.702 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.340 -0.691 16.123 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.850 -1.523 18.496 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.685 -2.714 17.220 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.565 -3.433 18.472 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.251 -2.700 17.035 1.00 0.00 H new ATOM 0 HE ARG A 126 13.983 -0.916 19.400 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.232 -2.991 17.480 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.648 -2.212 18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.822 -0.022 20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.420 -0.575 19.700 1.00 0.00 H new ATOM 1986 N ILE A 127 12.475 1.640 19.180 1.00 0.00 N ATOM 1987 CA ILE A 127 13.279 2.399 20.173 1.00 0.00 C ATOM 1988 C ILE A 127 13.591 1.437 21.326 1.00 0.00 C ATOM 1989 O ILE A 127 14.681 1.465 21.898 1.00 0.00 O ATOM 1990 CB ILE A 127 12.597 3.738 20.627 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.119 3.684 21.130 1.00 0.00 C ATOM 1992 CG2 ILE A 127 12.699 4.804 19.507 1.00 0.00 C ATOM 1993 CD1 ILE A 127 10.862 2.928 22.441 1.00 0.00 C ATOM 0 H ILE A 127 11.540 1.401 19.511 1.00 0.00 H new ATOM 0 HA ILE A 127 14.210 2.743 19.723 1.00 0.00 H new ATOM 0 HB ILE A 127 13.172 3.995 21.517 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.764 4.707 21.253 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.511 3.227 20.349 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.221 5.726 19.838 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.748 4.998 19.284 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.199 4.438 18.610 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.799 2.964 22.680 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.174 1.889 22.329 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.431 3.393 23.246 1.00 0.00 H new