USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=25 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 180:sc= 0.224 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.23 K(o=0.45,f=-3.6) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot -86:sc= 0.584 USER MOD Set 2.2: A 96 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.116) USER MOD Set 3.1: A 81 THR OG1 : rot -122:sc= 0.0803 USER MOD Set 3.2: A 93 THR OG1 : rot -170:sc= 0.0763 USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.033) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 29:sc= 0.00699 USER MOD Single : A 4 SER OG : rot 36:sc= 0.203 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0361 K(o=-0.036,f=-3.2!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 19 MET CE :methyl -162:sc=-0.00268 (180deg=-0.425) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 90:sc= 0.0389 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=0.95) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00676 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.0149 K(o=0.015,f=-3!) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.151 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -157:sc= -0.0961 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.464) USER MOD Single : A 84 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.0018) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.042) 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=0.18) 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 -170:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -117:sc= 0.0145 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 7.614 -11.705 12.966 1.00 0.00 N ATOM 2 CA SER A 2 8.369 -11.413 14.194 1.00 0.00 C ATOM 3 C SER A 2 7.538 -10.487 15.118 1.00 0.00 C ATOM 4 O SER A 2 6.960 -10.979 16.089 1.00 0.00 O ATOM 5 CB SER A 2 9.801 -10.921 13.876 1.00 0.00 C ATOM 6 OG SER A 2 10.562 -11.929 13.220 1.00 0.00 O ATOM 0 HA SER A 2 8.528 -12.330 14.762 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.751 -10.033 13.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.301 -10.629 14.800 1.00 0.00 H new ATOM 0 HG SER A 2 9.962 -12.514 12.712 1.00 0.00 H new ATOM 12 N PHE A 3 7.466 -9.169 14.825 1.00 0.00 N ATOM 13 CA PHE A 3 6.552 -8.199 15.506 1.00 0.00 C ATOM 14 C PHE A 3 6.713 -7.906 17.031 1.00 0.00 C ATOM 15 O PHE A 3 5.994 -7.042 17.537 1.00 0.00 O ATOM 16 CB PHE A 3 5.063 -8.445 15.121 1.00 0.00 C ATOM 17 CG PHE A 3 4.707 -8.220 13.641 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.643 -6.920 13.129 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.409 -9.300 12.805 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.297 -6.704 11.798 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.035 -9.080 11.485 1.00 0.00 C ATOM 22 CZ PHE A 3 3.990 -7.783 10.979 1.00 0.00 C ATOM 0 H PHE A 3 8.043 -8.736 14.104 1.00 0.00 H new ATOM 0 HA PHE A 3 6.919 -7.261 15.089 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.804 -9.470 15.385 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.438 -7.791 15.729 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.863 -6.079 13.770 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.470 -10.309 13.186 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.267 -5.699 11.403 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.779 -9.916 10.851 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.716 -7.616 9.948 1.00 0.00 H new ATOM 32 N SER A 4 7.638 -8.550 17.765 1.00 0.00 N ATOM 33 CA SER A 4 7.804 -8.344 19.219 1.00 0.00 C ATOM 34 C SER A 4 8.828 -7.209 19.492 1.00 0.00 C ATOM 35 O SER A 4 10.029 -7.362 19.238 1.00 0.00 O ATOM 36 CB SER A 4 8.189 -9.699 19.851 1.00 0.00 C ATOM 37 OG SER A 4 9.410 -10.231 19.341 1.00 0.00 O ATOM 0 H SER A 4 8.291 -9.227 17.370 1.00 0.00 H new ATOM 0 HA SER A 4 6.876 -8.011 19.684 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.276 -9.577 20.931 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.387 -10.416 19.675 1.00 0.00 H new ATOM 0 HG SER A 4 10.036 -9.499 19.162 1.00 0.00 H new ATOM 43 N GLY A 5 8.329 -6.066 19.991 1.00 0.00 N ATOM 44 CA GLY A 5 9.176 -4.887 20.262 1.00 0.00 C ATOM 45 C GLY A 5 8.390 -3.625 20.673 1.00 0.00 C ATOM 46 O GLY A 5 7.155 -3.568 20.648 1.00 0.00 O ATOM 0 H GLY A 5 7.343 -5.931 20.216 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.882 -5.135 21.054 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.762 -4.662 19.371 1.00 0.00 H new ATOM 50 N LYS A 6 9.171 -2.598 21.043 1.00 0.00 N ATOM 51 CA LYS A 6 8.644 -1.279 21.483 1.00 0.00 C ATOM 52 C LYS A 6 8.890 -0.285 20.317 1.00 0.00 C ATOM 53 O LYS A 6 10.014 0.194 20.125 1.00 0.00 O ATOM 54 CB LYS A 6 9.342 -0.817 22.795 1.00 0.00 C ATOM 55 CG LYS A 6 8.894 -1.488 24.117 1.00 0.00 C ATOM 56 CD LYS A 6 9.396 -2.932 24.332 1.00 0.00 C ATOM 57 CE LYS A 6 9.093 -3.479 25.738 1.00 0.00 C ATOM 58 NZ LYS A 6 9.589 -4.857 25.895 1.00 0.00 N ATOM 0 H LYS A 6 10.190 -2.650 21.048 1.00 0.00 H new ATOM 0 HA LYS A 6 7.579 -1.335 21.709 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.414 -0.980 22.681 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.192 0.258 22.896 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.237 -0.875 24.950 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.805 -1.492 24.151 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.936 -3.584 23.589 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.472 -2.964 24.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.555 -2.836 26.488 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.018 -3.455 25.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.370 -5.198 26.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.129 -5.473 25.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.619 -4.874 25.749 1.00 0.00 H new ATOM 72 N TYR A 7 7.838 -0.016 19.521 1.00 0.00 N ATOM 73 CA TYR A 7 7.969 0.719 18.232 1.00 0.00 C ATOM 74 C TYR A 7 7.432 2.158 18.432 1.00 0.00 C ATOM 75 O TYR A 7 6.218 2.389 18.422 1.00 0.00 O ATOM 76 CB TYR A 7 7.254 -0.014 17.064 1.00 0.00 C ATOM 77 CG TYR A 7 7.705 -1.466 16.796 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.861 -1.736 16.053 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.967 -2.527 17.327 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.277 -3.053 15.862 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.385 -3.840 17.136 1.00 0.00 C ATOM 82 CZ TYR A 7 8.543 -4.103 16.408 1.00 0.00 C ATOM 83 OH TYR A 7 8.970 -5.398 16.264 1.00 0.00 O ATOM 0 H TYR A 7 6.882 -0.294 19.742 1.00 0.00 H new ATOM 0 HA TYR A 7 9.020 0.762 17.947 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.183 -0.019 17.267 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.403 0.565 16.153 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.431 -0.923 15.628 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.067 -2.327 17.889 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.170 -3.259 15.290 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.812 -4.655 17.552 1.00 0.00 H new ATOM 0 HH TYR A 7 8.678 -5.926 17.036 1.00 0.00 H new ATOM 93 N GLN A 8 8.351 3.116 18.645 1.00 0.00 N ATOM 94 CA GLN A 8 7.993 4.495 19.064 1.00 0.00 C ATOM 95 C GLN A 8 7.691 5.376 17.828 1.00 0.00 C ATOM 96 O GLN A 8 8.480 5.422 16.880 1.00 0.00 O ATOM 97 CB GLN A 8 9.139 5.045 19.954 1.00 0.00 C ATOM 98 CG GLN A 8 8.816 6.283 20.822 1.00 0.00 C ATOM 99 CD GLN A 8 8.858 7.661 20.136 1.00 0.00 C ATOM 100 OE1 GLN A 8 9.384 7.854 19.040 1.00 0.00 O ATOM 101 NE2 GLN A 8 8.315 8.661 20.808 1.00 0.00 N ATOM 0 H GLN A 8 9.354 2.966 18.535 1.00 0.00 H new ATOM 0 HA GLN A 8 7.078 4.501 19.656 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.470 4.244 20.615 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.981 5.294 19.308 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.820 6.147 21.244 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.517 6.301 21.657 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.882 8.490 21.715 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.329 9.604 20.419 1.00 0.00 H new ATOM 110 N LEU A 9 6.549 6.088 17.862 1.00 0.00 N ATOM 111 CA LEU A 9 6.041 6.872 16.707 1.00 0.00 C ATOM 112 C LEU A 9 7.005 8.031 16.309 1.00 0.00 C ATOM 113 O LEU A 9 7.234 8.973 17.072 1.00 0.00 O ATOM 114 CB LEU A 9 4.609 7.381 17.029 1.00 0.00 C ATOM 115 CG LEU A 9 3.858 8.109 15.876 1.00 0.00 C ATOM 116 CD1 LEU A 9 3.391 7.142 14.774 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.659 8.912 16.407 1.00 0.00 C ATOM 0 H LEU A 9 5.950 6.140 18.686 1.00 0.00 H new ATOM 0 HA LEU A 9 5.995 6.222 15.834 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.007 6.529 17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.671 8.060 17.879 1.00 0.00 H new ATOM 0 HG LEU A 9 4.578 8.797 15.433 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.873 7.701 13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.255 6.636 14.344 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.713 6.403 15.202 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.157 9.408 15.576 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.961 8.238 16.903 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.009 9.660 17.118 1.00 0.00 H new ATOM 129 N GLN A 10 7.548 7.911 15.090 1.00 0.00 N ATOM 130 CA GLN A 10 8.468 8.904 14.490 1.00 0.00 C ATOM 131 C GLN A 10 7.706 10.071 13.790 1.00 0.00 C ATOM 132 O GLN A 10 7.956 11.229 14.140 1.00 0.00 O ATOM 133 CB GLN A 10 9.448 8.143 13.546 1.00 0.00 C ATOM 134 CG GLN A 10 10.699 8.933 13.092 1.00 0.00 C ATOM 135 CD GLN A 10 11.875 8.918 14.085 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.851 8.191 13.901 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.824 9.709 15.146 1.00 0.00 N ATOM 0 H GLN A 10 7.363 7.114 14.480 1.00 0.00 H new ATOM 0 HA GLN A 10 9.047 9.398 15.271 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.779 7.236 14.052 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.898 7.830 12.659 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.041 8.526 12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.410 9.968 12.910 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.014 10.310 15.295 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.595 9.717 15.814 1.00 0.00 H new ATOM 146 N SER A 11 6.824 9.786 12.804 1.00 0.00 N ATOM 147 CA SER A 11 6.148 10.830 11.991 1.00 0.00 C ATOM 148 C SER A 11 4.731 10.354 11.573 1.00 0.00 C ATOM 149 O SER A 11 4.547 9.227 11.097 1.00 0.00 O ATOM 150 CB SER A 11 7.009 11.155 10.747 1.00 0.00 C ATOM 151 OG SER A 11 6.459 12.242 10.012 1.00 0.00 O ATOM 0 H SER A 11 6.561 8.834 12.549 1.00 0.00 H new ATOM 0 HA SER A 11 6.036 11.736 12.587 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.025 11.399 11.058 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.075 10.275 10.107 1.00 0.00 H new ATOM 0 HG SER A 11 7.023 12.428 9.232 1.00 0.00 H new ATOM 157 N GLN A 12 3.751 11.270 11.689 1.00 0.00 N ATOM 158 CA GLN A 12 2.409 11.102 11.073 1.00 0.00 C ATOM 159 C GLN A 12 2.401 11.734 9.653 1.00 0.00 C ATOM 160 O GLN A 12 2.872 12.858 9.446 1.00 0.00 O ATOM 161 CB GLN A 12 1.293 11.781 11.916 1.00 0.00 C ATOM 162 CG GLN A 12 1.029 11.250 13.344 1.00 0.00 C ATOM 163 CD GLN A 12 0.331 9.880 13.435 1.00 0.00 C ATOM 164 OE1 GLN A 12 0.497 8.997 12.595 1.00 0.00 O ATOM 165 NE2 GLN A 12 -0.458 9.668 14.477 1.00 0.00 N ATOM 0 H GLN A 12 3.859 12.142 12.207 1.00 0.00 H new ATOM 0 HA GLN A 12 2.208 10.032 11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.534 12.841 11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.361 11.707 11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.982 11.186 13.869 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.421 11.982 13.876 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.594 10.402 15.172 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.930 8.770 14.585 1.00 0.00 H new ATOM 174 N GLU A 13 1.796 11.011 8.697 1.00 0.00 N ATOM 175 CA GLU A 13 1.537 11.533 7.328 1.00 0.00 C ATOM 176 C GLU A 13 0.233 12.385 7.263 1.00 0.00 C ATOM 177 O GLU A 13 0.316 13.566 6.915 1.00 0.00 O ATOM 178 CB GLU A 13 1.588 10.355 6.321 1.00 0.00 C ATOM 179 CG GLU A 13 1.457 10.701 4.822 1.00 0.00 C ATOM 180 CD GLU A 13 2.586 11.570 4.262 1.00 0.00 C ATOM 181 OE1 GLU A 13 3.648 11.021 3.894 1.00 0.00 O ATOM 182 OE2 GLU A 13 2.418 12.808 4.192 1.00 0.00 O ATOM 0 H GLU A 13 1.471 10.055 8.840 1.00 0.00 H new ATOM 0 HA GLU A 13 2.321 12.235 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.531 9.828 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.791 9.657 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.415 9.773 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.509 11.215 4.664 1.00 0.00 H new ATOM 189 N ASN A 14 -0.943 11.790 7.557 1.00 0.00 N ATOM 190 CA ASN A 14 -2.262 12.462 7.390 1.00 0.00 C ATOM 191 C ASN A 14 -3.103 12.335 8.695 1.00 0.00 C ATOM 192 O ASN A 14 -4.171 11.719 8.695 1.00 0.00 O ATOM 193 CB ASN A 14 -2.969 11.854 6.135 1.00 0.00 C ATOM 194 CG ASN A 14 -2.433 12.274 4.746 1.00 0.00 C ATOM 195 OD1 ASN A 14 -1.601 13.167 4.593 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.920 11.637 3.693 1.00 0.00 N ATOM 0 H ASN A 14 -1.012 10.837 7.915 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.138 13.531 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.907 10.768 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.026 12.117 6.183 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.605 11.887 2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.610 10.896 3.819 1.00 0.00 H new ATOM 203 N PHE A 15 -2.650 12.948 9.810 1.00 0.00 N ATOM 204 CA PHE A 15 -3.407 12.951 11.100 1.00 0.00 C ATOM 205 C PHE A 15 -4.671 13.867 11.082 1.00 0.00 C ATOM 206 O PHE A 15 -5.736 13.413 11.501 1.00 0.00 O ATOM 207 CB PHE A 15 -2.435 13.245 12.278 1.00 0.00 C ATOM 208 CG PHE A 15 -3.032 13.161 13.699 1.00 0.00 C ATOM 209 CD1 PHE A 15 -3.214 11.920 14.319 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.398 14.327 14.381 1.00 0.00 C ATOM 211 CE1 PHE A 15 -3.744 11.849 15.606 1.00 0.00 C ATOM 212 CE2 PHE A 15 -3.939 14.253 15.662 1.00 0.00 C ATOM 213 CZ PHE A 15 -4.108 13.015 16.276 1.00 0.00 C ATOM 0 H PHE A 15 -1.763 13.450 9.852 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.821 11.954 11.250 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.602 12.545 12.216 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.023 14.245 12.139 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.943 11.014 13.798 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.260 15.290 13.911 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.873 10.889 16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.228 15.156 16.179 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.521 12.958 17.272 1.00 0.00 H new ATOM 223 N GLU A 16 -4.580 15.123 10.601 1.00 0.00 N ATOM 224 CA GLU A 16 -5.763 16.024 10.462 1.00 0.00 C ATOM 225 C GLU A 16 -6.839 15.526 9.441 1.00 0.00 C ATOM 226 O GLU A 16 -8.027 15.518 9.774 1.00 0.00 O ATOM 227 CB GLU A 16 -5.320 17.482 10.147 1.00 0.00 C ATOM 228 CG GLU A 16 -4.632 18.257 11.296 1.00 0.00 C ATOM 229 CD GLU A 16 -3.160 17.911 11.566 1.00 0.00 C ATOM 230 OE1 GLU A 16 -2.325 18.045 10.644 1.00 0.00 O ATOM 231 OE2 GLU A 16 -2.832 17.515 12.706 1.00 0.00 O ATOM 0 H GLU A 16 -3.702 15.546 10.299 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.259 16.004 11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.638 17.455 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.199 18.046 9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.698 19.323 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.197 18.084 12.212 1.00 0.00 H new ATOM 238 N ALA A 17 -6.421 15.099 8.232 1.00 0.00 N ATOM 239 CA ALA A 17 -7.333 14.554 7.190 1.00 0.00 C ATOM 240 C ALA A 17 -7.987 13.172 7.499 1.00 0.00 C ATOM 241 O ALA A 17 -9.198 13.041 7.305 1.00 0.00 O ATOM 242 CB ALA A 17 -6.582 14.530 5.844 1.00 0.00 C ATOM 0 H ALA A 17 -5.443 15.120 7.945 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.189 15.227 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.237 14.133 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.278 15.543 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.699 13.898 5.932 1.00 0.00 H new ATOM 248 N PHE A 18 -7.221 12.164 7.971 1.00 0.00 N ATOM 249 CA PHE A 18 -7.767 10.824 8.340 1.00 0.00 C ATOM 250 C PHE A 18 -8.709 10.857 9.576 1.00 0.00 C ATOM 251 O PHE A 18 -9.805 10.302 9.483 1.00 0.00 O ATOM 252 CB PHE A 18 -6.599 9.808 8.509 1.00 0.00 C ATOM 253 CG PHE A 18 -6.986 8.335 8.758 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.276 7.472 7.695 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.021 7.844 10.068 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.605 6.140 7.944 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.353 6.515 10.315 1.00 0.00 C ATOM 258 CZ PHE A 18 -7.649 5.666 9.253 1.00 0.00 C ATOM 0 H PHE A 18 -6.214 12.247 8.109 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.404 10.492 7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.981 9.849 7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.977 10.141 9.340 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.245 7.839 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.789 8.501 10.893 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.826 5.476 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.381 6.144 11.329 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.914 4.637 9.444 1.00 0.00 H new ATOM 268 N MET A 19 -8.290 11.479 10.697 1.00 0.00 N ATOM 269 CA MET A 19 -9.105 11.551 11.945 1.00 0.00 C ATOM 270 C MET A 19 -10.450 12.332 11.819 1.00 0.00 C ATOM 271 O MET A 19 -11.464 11.865 12.345 1.00 0.00 O ATOM 272 CB MET A 19 -8.266 12.079 13.140 1.00 0.00 C ATOM 273 CG MET A 19 -7.006 11.275 13.517 1.00 0.00 C ATOM 274 SD MET A 19 -7.373 9.528 13.778 1.00 0.00 S ATOM 275 CE MET A 19 -5.705 8.845 13.643 1.00 0.00 C ATOM 0 H MET A 19 -7.386 11.945 10.771 1.00 0.00 H new ATOM 0 HA MET A 19 -9.398 10.519 12.137 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.961 13.101 12.915 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.914 12.125 14.015 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.262 11.375 12.727 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.567 11.693 14.423 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.765 7.772 13.459 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.181 9.326 12.817 1.00 0.00 H new ATOM 0 HE3 MET A 19 -5.162 9.024 14.571 1.00 0.00 H new ATOM 285 N LYS A 20 -10.476 13.471 11.096 1.00 0.00 N ATOM 286 CA LYS A 20 -11.736 14.178 10.730 1.00 0.00 C ATOM 287 C LYS A 20 -12.683 13.376 9.774 1.00 0.00 C ATOM 288 O LYS A 20 -13.898 13.374 9.999 1.00 0.00 O ATOM 289 CB LYS A 20 -11.345 15.569 10.155 1.00 0.00 C ATOM 290 CG LYS A 20 -12.499 16.588 10.071 1.00 0.00 C ATOM 291 CD LYS A 20 -12.042 17.959 9.533 1.00 0.00 C ATOM 292 CE LYS A 20 -13.205 18.962 9.423 1.00 0.00 C ATOM 293 NZ LYS A 20 -12.754 20.260 8.889 1.00 0.00 N ATOM 0 H LYS A 20 -9.634 13.930 10.748 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.340 14.291 11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.552 15.991 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.931 15.429 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.283 16.191 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.937 16.718 11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.274 18.367 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.585 17.828 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.980 18.551 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.654 19.108 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.563 20.911 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.032 20.663 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.348 20.123 7.941 1.00 0.00 H new ATOM 307 N ALA A 21 -12.138 12.711 8.734 1.00 0.00 N ATOM 308 CA ALA A 21 -12.930 11.924 7.752 1.00 0.00 C ATOM 309 C ALA A 21 -13.569 10.596 8.263 1.00 0.00 C ATOM 310 O ALA A 21 -14.691 10.286 7.852 1.00 0.00 O ATOM 311 CB ALA A 21 -12.054 11.679 6.512 1.00 0.00 C ATOM 0 H ALA A 21 -11.135 12.702 8.547 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.805 12.532 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.616 11.102 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.763 12.635 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.161 11.125 6.801 1.00 0.00 H new ATOM 317 N ILE A 22 -12.902 9.836 9.160 1.00 0.00 N ATOM 318 CA ILE A 22 -13.531 8.692 9.900 1.00 0.00 C ATOM 319 C ILE A 22 -14.737 9.096 10.819 1.00 0.00 C ATOM 320 O ILE A 22 -15.751 8.392 10.823 1.00 0.00 O ATOM 321 CB ILE A 22 -12.475 7.802 10.657 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.665 8.558 11.754 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.560 7.035 9.670 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.674 7.730 12.580 1.00 0.00 C ATOM 0 H ILE A 22 -11.922 9.987 9.398 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.969 8.072 9.118 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.059 7.065 11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.113 9.365 11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.374 9.021 12.440 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.845 6.432 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.168 6.385 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.022 7.747 9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.178 8.374 13.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.209 6.938 13.104 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.929 7.288 11.918 1.00 0.00 H new ATOM 336 N GLY A 23 -14.623 10.212 11.565 1.00 0.00 N ATOM 337 CA GLY A 23 -15.723 10.782 12.372 1.00 0.00 C ATOM 338 C GLY A 23 -15.279 11.141 13.800 1.00 0.00 C ATOM 339 O GLY A 23 -15.782 10.543 14.757 1.00 0.00 O ATOM 0 H GLY A 23 -13.758 10.749 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.107 11.675 11.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.544 10.066 12.419 1.00 0.00 H new ATOM 343 N LEU A 24 -14.371 12.128 13.933 1.00 0.00 N ATOM 344 CA LEU A 24 -13.931 12.659 15.252 1.00 0.00 C ATOM 345 C LEU A 24 -14.054 14.220 15.273 1.00 0.00 C ATOM 346 O LEU A 24 -13.736 14.856 14.259 1.00 0.00 O ATOM 347 CB LEU A 24 -12.477 12.238 15.613 1.00 0.00 C ATOM 348 CG LEU A 24 -12.227 10.731 15.900 1.00 0.00 C ATOM 349 CD1 LEU A 24 -10.724 10.462 16.100 1.00 0.00 C ATOM 350 CD2 LEU A 24 -13.002 10.217 17.130 1.00 0.00 C ATOM 0 H LEU A 24 -13.920 12.582 13.138 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.589 12.225 16.005 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.824 12.539 14.794 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.169 12.805 16.491 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.594 10.189 15.028 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.568 9.402 16.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.181 10.745 15.199 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.359 11.048 16.943 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.787 9.159 17.279 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.696 10.778 18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.072 10.350 16.968 1.00 0.00 H new ATOM 362 N PRO A 25 -14.458 14.887 16.399 1.00 0.00 N ATOM 363 CA PRO A 25 -14.557 16.368 16.471 1.00 0.00 C ATOM 364 C PRO A 25 -13.182 17.101 16.531 1.00 0.00 C ATOM 365 O PRO A 25 -12.130 16.498 16.774 1.00 0.00 O ATOM 366 CB PRO A 25 -15.396 16.558 17.755 1.00 0.00 C ATOM 367 CG PRO A 25 -15.052 15.366 18.648 1.00 0.00 C ATOM 368 CD PRO A 25 -14.863 14.221 17.656 1.00 0.00 C ATOM 0 HA PRO A 25 -14.999 16.808 15.577 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.153 17.500 18.247 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.462 16.583 17.527 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.148 15.547 19.229 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.850 15.153 19.359 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.101 13.521 17.998 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.784 13.652 17.526 1.00 0.00 H new ATOM 376 N GLU A 26 -13.233 18.433 16.356 1.00 0.00 N ATOM 377 CA GLU A 26 -12.059 19.331 16.573 1.00 0.00 C ATOM 378 C GLU A 26 -11.438 19.324 18.016 1.00 0.00 C ATOM 379 O GLU A 26 -10.236 19.564 18.139 1.00 0.00 O ATOM 380 CB GLU A 26 -12.466 20.761 16.117 1.00 0.00 C ATOM 381 CG GLU A 26 -11.282 21.728 15.897 1.00 0.00 C ATOM 382 CD GLU A 26 -11.715 23.117 15.429 1.00 0.00 C ATOM 383 OE1 GLU A 26 -12.032 23.972 16.286 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.738 23.364 14.202 1.00 0.00 O ATOM 0 H GLU A 26 -14.077 18.925 16.063 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.240 18.937 15.971 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.033 20.685 15.189 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.134 21.190 16.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.722 21.824 16.827 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.604 21.299 15.160 1.00 0.00 H new ATOM 391 N GLU A 27 -12.218 19.024 19.080 1.00 0.00 N ATOM 392 CA GLU A 27 -11.697 18.850 20.468 1.00 0.00 C ATOM 393 C GLU A 27 -10.581 17.773 20.642 1.00 0.00 C ATOM 394 O GLU A 27 -9.580 18.068 21.293 1.00 0.00 O ATOM 395 CB GLU A 27 -12.855 18.569 21.468 1.00 0.00 C ATOM 396 CG GLU A 27 -13.960 19.638 21.613 1.00 0.00 C ATOM 397 CD GLU A 27 -13.480 20.976 22.188 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.358 21.094 23.428 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.220 21.914 21.402 1.00 0.00 O ATOM 0 H GLU A 27 -13.227 18.894 19.007 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.218 19.804 20.690 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.331 17.634 21.174 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.415 18.407 22.452 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.405 19.817 20.634 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.748 19.243 22.255 1.00 0.00 H new ATOM 406 N LEU A 28 -10.735 16.559 20.074 1.00 0.00 N ATOM 407 CA LEU A 28 -9.684 15.499 20.122 1.00 0.00 C ATOM 408 C LEU A 28 -8.495 15.718 19.130 1.00 0.00 C ATOM 409 O LEU A 28 -7.344 15.505 19.518 1.00 0.00 O ATOM 410 CB LEU A 28 -10.332 14.098 19.914 1.00 0.00 C ATOM 411 CG LEU A 28 -11.415 13.648 20.941 1.00 0.00 C ATOM 412 CD1 LEU A 28 -12.088 12.344 20.479 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.867 13.489 22.373 1.00 0.00 C ATOM 0 H LEU A 28 -11.578 16.279 19.573 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.238 15.561 21.115 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.781 14.079 18.921 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.535 13.355 19.918 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.155 14.448 20.977 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.841 12.045 21.208 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.563 12.503 19.511 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.337 11.559 20.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.672 13.174 23.038 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.077 12.738 22.379 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.465 14.442 22.716 1.00 0.00 H new ATOM 425 N ILE A 29 -8.768 16.138 17.874 1.00 0.00 N ATOM 426 CA ILE A 29 -7.735 16.341 16.811 1.00 0.00 C ATOM 427 C ILE A 29 -6.803 17.553 17.153 1.00 0.00 C ATOM 428 O ILE A 29 -5.596 17.351 17.312 1.00 0.00 O ATOM 429 CB ILE A 29 -8.389 16.441 15.380 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.375 15.282 15.034 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.317 16.545 14.258 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.374 15.608 13.916 1.00 0.00 C ATOM 0 H ILE A 29 -9.715 16.349 17.559 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.094 15.460 16.784 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.975 17.359 15.424 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.797 14.405 14.743 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.930 15.014 15.933 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.810 16.612 13.288 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.708 17.435 14.418 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.680 15.661 14.281 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.019 14.747 13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.982 16.464 14.210 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.831 15.845 13.001 1.00 0.00 H new ATOM 444 N GLN A 30 -7.358 18.779 17.269 1.00 0.00 N ATOM 445 CA GLN A 30 -6.576 20.005 17.605 1.00 0.00 C ATOM 446 C GLN A 30 -6.062 20.157 19.076 1.00 0.00 C ATOM 447 O GLN A 30 -5.240 21.047 19.318 1.00 0.00 O ATOM 448 CB GLN A 30 -7.351 21.277 17.153 1.00 0.00 C ATOM 449 CG GLN A 30 -7.602 21.441 15.634 1.00 0.00 C ATOM 450 CD GLN A 30 -6.325 21.594 14.786 1.00 0.00 C ATOM 451 OE1 GLN A 30 -5.639 22.615 14.840 1.00 0.00 O ATOM 452 NE2 GLN A 30 -5.978 20.591 13.994 1.00 0.00 N ATOM 0 H GLN A 30 -8.354 18.954 17.135 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.652 19.881 17.040 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.316 21.284 17.659 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.802 22.151 17.502 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.159 20.575 15.276 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.234 22.315 15.476 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.552 19.749 13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.136 20.660 13.422 1.00 0.00 H new ATOM 461 N LYS A 31 -6.464 19.294 20.034 1.00 0.00 N ATOM 462 CA LYS A 31 -5.766 19.159 21.343 1.00 0.00 C ATOM 463 C LYS A 31 -4.455 18.321 21.244 1.00 0.00 C ATOM 464 O LYS A 31 -3.411 18.803 21.692 1.00 0.00 O ATOM 465 CB LYS A 31 -6.768 18.617 22.399 1.00 0.00 C ATOM 466 CG LYS A 31 -6.245 18.505 23.848 1.00 0.00 C ATOM 467 CD LYS A 31 -7.286 17.905 24.813 1.00 0.00 C ATOM 468 CE LYS A 31 -6.740 17.738 26.243 1.00 0.00 C ATOM 469 NZ LYS A 31 -7.750 17.146 27.139 1.00 0.00 N ATOM 0 H LYS A 31 -7.269 18.677 19.930 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.429 20.143 21.668 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.645 19.264 22.401 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.101 17.630 22.079 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.347 17.887 23.859 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.955 19.494 24.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.166 18.547 24.837 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.609 16.935 24.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.853 17.105 26.224 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.431 18.708 26.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.351 17.047 28.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.586 17.763 27.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.026 16.210 26.780 1.00 0.00 H new ATOM 483 N GLY A 32 -4.508 17.091 20.692 1.00 0.00 N ATOM 484 CA GLY A 32 -3.329 16.198 20.613 1.00 0.00 C ATOM 485 C GLY A 32 -2.237 16.653 19.628 1.00 0.00 C ATOM 486 O GLY A 32 -1.153 17.057 20.056 1.00 0.00 O ATOM 0 H GLY A 32 -5.357 16.691 20.293 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.889 16.112 21.607 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.665 15.201 20.326 1.00 0.00 H new ATOM 490 N LYS A 33 -2.549 16.602 18.321 1.00 0.00 N ATOM 491 CA LYS A 33 -1.690 17.158 17.234 1.00 0.00 C ATOM 492 C LYS A 33 -0.346 16.381 17.079 1.00 0.00 C ATOM 493 O LYS A 33 0.732 16.910 17.373 1.00 0.00 O ATOM 494 CB LYS A 33 -1.495 18.707 17.294 1.00 0.00 C ATOM 495 CG LYS A 33 -2.755 19.562 17.570 1.00 0.00 C ATOM 496 CD LYS A 33 -2.607 21.064 17.254 1.00 0.00 C ATOM 497 CE LYS A 33 -1.715 21.830 18.249 1.00 0.00 C ATOM 498 NZ LYS A 33 -1.650 23.265 17.916 1.00 0.00 N ATOM 0 H LYS A 33 -3.408 16.173 17.976 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.255 16.992 16.317 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.760 18.926 18.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.066 19.032 16.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.582 19.163 16.983 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.027 19.452 18.620 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.193 21.175 16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.596 21.521 17.243 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.105 21.706 19.259 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.711 21.407 18.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.042 23.754 18.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.256 23.382 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.606 23.673 17.948 1.00 0.00 H new ATOM 512 N ASP A 34 -0.430 15.103 16.650 1.00 0.00 N ATOM 513 CA ASP A 34 0.735 14.181 16.509 1.00 0.00 C ATOM 514 C ASP A 34 1.408 13.876 17.886 1.00 0.00 C ATOM 515 O ASP A 34 2.432 14.477 18.230 1.00 0.00 O ATOM 516 CB ASP A 34 1.778 14.613 15.429 1.00 0.00 C ATOM 517 CG ASP A 34 1.307 14.891 13.990 1.00 0.00 C ATOM 518 OD1 ASP A 34 0.102 14.764 13.678 1.00 0.00 O ATOM 519 OD2 ASP A 34 2.167 15.244 13.153 1.00 0.00 O ATOM 0 H ASP A 34 -1.316 14.671 16.387 1.00 0.00 H new ATOM 0 HA ASP A 34 0.312 13.250 16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.270 15.516 15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.539 13.834 15.379 1.00 0.00 H new ATOM 524 N ILE A 35 0.821 12.950 18.671 1.00 0.00 N ATOM 525 CA ILE A 35 1.378 12.541 19.997 1.00 0.00 C ATOM 526 C ILE A 35 2.348 11.357 19.717 1.00 0.00 C ATOM 527 O ILE A 35 1.912 10.249 19.384 1.00 0.00 O ATOM 528 CB ILE A 35 0.251 12.232 21.053 1.00 0.00 C ATOM 529 CG1 ILE A 35 -0.519 13.525 21.459 1.00 0.00 C ATOM 530 CG2 ILE A 35 0.799 11.544 22.336 1.00 0.00 C ATOM 531 CD1 ILE A 35 -1.836 13.305 22.216 1.00 0.00 C ATOM 0 H ILE A 35 -0.040 12.465 18.418 1.00 0.00 H new ATOM 0 HA ILE A 35 1.931 13.354 20.468 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.431 11.539 20.560 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.137 14.137 22.078 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.731 14.098 20.556 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.023 11.356 23.027 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.272 10.599 22.068 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.532 12.195 22.813 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.287 14.269 22.449 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.519 12.725 21.596 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.638 12.764 23.142 1.00 0.00 H new ATOM 543 N LYS A 36 3.658 11.617 19.889 1.00 0.00 N ATOM 544 CA LYS A 36 4.722 10.616 19.628 1.00 0.00 C ATOM 545 C LYS A 36 4.909 9.720 20.884 1.00 0.00 C ATOM 546 O LYS A 36 5.466 10.158 21.896 1.00 0.00 O ATOM 547 CB LYS A 36 6.038 11.307 19.180 1.00 0.00 C ATOM 548 CG LYS A 36 5.964 11.996 17.794 1.00 0.00 C ATOM 549 CD LYS A 36 7.303 12.537 17.253 1.00 0.00 C ATOM 550 CE LYS A 36 7.881 13.727 18.041 1.00 0.00 C ATOM 551 NZ LYS A 36 9.121 14.232 17.423 1.00 0.00 N ATOM 0 H LYS A 36 4.012 12.518 20.210 1.00 0.00 H new ATOM 0 HA LYS A 36 4.424 9.971 18.802 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.315 12.051 19.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.835 10.564 19.160 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.562 11.284 17.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.256 12.822 17.855 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.034 11.728 17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.165 12.839 16.215 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.143 14.528 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.083 13.422 19.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.484 15.033 17.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.833 13.474 17.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.922 14.546 16.452 1.00 0.00 H new ATOM 565 N GLY A 37 4.407 8.477 20.795 1.00 0.00 N ATOM 566 CA GLY A 37 4.412 7.517 21.921 1.00 0.00 C ATOM 567 C GLY A 37 4.631 6.056 21.477 1.00 0.00 C ATOM 568 O GLY A 37 4.637 5.715 20.288 1.00 0.00 O ATOM 0 H GLY A 37 3.986 8.106 19.943 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.196 7.797 22.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.464 7.589 22.455 1.00 0.00 H new ATOM 572 N VAL A 38 4.825 5.186 22.482 1.00 0.00 N ATOM 573 CA VAL A 38 5.324 3.799 22.264 1.00 0.00 C ATOM 574 C VAL A 38 4.124 2.859 21.943 1.00 0.00 C ATOM 575 O VAL A 38 3.234 2.648 22.775 1.00 0.00 O ATOM 576 CB VAL A 38 6.218 3.320 23.462 1.00 0.00 C ATOM 577 CG1 VAL A 38 6.723 1.866 23.297 1.00 0.00 C ATOM 578 CG2 VAL A 38 7.464 4.219 23.680 1.00 0.00 C ATOM 0 H VAL A 38 4.646 5.411 23.461 1.00 0.00 H new ATOM 0 HA VAL A 38 5.984 3.772 21.397 1.00 0.00 H new ATOM 0 HB VAL A 38 5.556 3.385 24.325 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.335 1.594 24.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.870 1.190 23.230 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.320 1.789 22.388 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.044 3.839 24.521 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.080 4.211 22.781 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.144 5.239 23.891 1.00 0.00 H new ATOM 588 N SER A 39 4.162 2.273 20.731 1.00 0.00 N ATOM 589 CA SER A 39 3.212 1.219 20.300 1.00 0.00 C ATOM 590 C SER A 39 3.856 -0.165 20.570 1.00 0.00 C ATOM 591 O SER A 39 4.694 -0.645 19.797 1.00 0.00 O ATOM 592 CB SER A 39 2.833 1.417 18.819 1.00 0.00 C ATOM 593 OG SER A 39 2.158 2.656 18.638 1.00 0.00 O ATOM 0 H SER A 39 4.852 2.515 20.019 1.00 0.00 H new ATOM 0 HA SER A 39 2.284 1.280 20.868 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.731 1.392 18.201 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.195 0.597 18.488 1.00 0.00 H new ATOM 0 HG SER A 39 2.812 3.360 18.447 1.00 0.00 H new ATOM 599 N GLU A 40 3.473 -0.771 21.707 1.00 0.00 N ATOM 600 CA GLU A 40 4.123 -1.997 22.234 1.00 0.00 C ATOM 601 C GLU A 40 3.354 -3.248 21.728 1.00 0.00 C ATOM 602 O GLU A 40 2.318 -3.622 22.289 1.00 0.00 O ATOM 603 CB GLU A 40 4.185 -1.884 23.781 1.00 0.00 C ATOM 604 CG GLU A 40 4.972 -3.015 24.481 1.00 0.00 C ATOM 605 CD GLU A 40 5.010 -2.846 26.001 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.813 -2.026 26.500 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.234 -3.529 26.706 1.00 0.00 O ATOM 0 H GLU A 40 2.708 -0.431 22.289 1.00 0.00 H new ATOM 0 HA GLU A 40 5.146 -2.104 21.872 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.638 -0.928 24.044 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.168 -1.872 24.172 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.518 -3.975 24.236 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.991 -3.037 24.095 1.00 0.00 H new ATOM 614 N ILE A 41 3.894 -3.882 20.671 1.00 0.00 N ATOM 615 CA ILE A 41 3.296 -5.101 20.056 1.00 0.00 C ATOM 616 C ILE A 41 3.967 -6.322 20.751 1.00 0.00 C ATOM 617 O ILE A 41 5.195 -6.463 20.737 1.00 0.00 O ATOM 618 CB ILE A 41 3.462 -5.142 18.495 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.990 -3.862 17.751 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.753 -6.390 17.894 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.458 -3.752 16.297 1.00 0.00 C ATOM 0 H ILE A 41 4.752 -3.573 20.215 1.00 0.00 H new ATOM 0 HA ILE A 41 2.217 -5.110 20.211 1.00 0.00 H new ATOM 0 HB ILE A 41 4.538 -5.201 18.334 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.901 -3.829 17.770 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.345 -2.989 18.299 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.882 -6.396 16.812 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.189 -7.295 18.316 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.690 -6.354 18.132 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.079 -2.827 15.862 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.548 -3.749 16.265 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.081 -4.602 15.728 1.00 0.00 H new ATOM 633 N VAL A 42 3.131 -7.197 21.333 1.00 0.00 N ATOM 634 CA VAL A 42 3.597 -8.418 22.047 1.00 0.00 C ATOM 635 C VAL A 42 3.016 -9.623 21.247 1.00 0.00 C ATOM 636 O VAL A 42 1.869 -10.028 21.466 1.00 0.00 O ATOM 637 CB VAL A 42 3.193 -8.383 23.564 1.00 0.00 C ATOM 638 CG1 VAL A 42 3.630 -9.655 24.329 1.00 0.00 C ATOM 639 CG2 VAL A 42 3.754 -7.159 24.331 1.00 0.00 C ATOM 0 H VAL A 42 2.117 -7.088 21.328 1.00 0.00 H new ATOM 0 HA VAL A 42 4.684 -8.498 22.078 1.00 0.00 H new ATOM 0 HB VAL A 42 2.105 -8.317 23.536 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.324 -9.575 25.372 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.160 -10.530 23.879 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.714 -9.758 24.275 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.433 -7.204 25.372 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.843 -7.169 24.286 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.381 -6.242 23.875 1.00 0.00 H new ATOM 649 N GLN A 43 3.835 -10.201 20.345 1.00 0.00 N ATOM 650 CA GLN A 43 3.493 -11.461 19.634 1.00 0.00 C ATOM 651 C GLN A 43 3.984 -12.672 20.482 1.00 0.00 C ATOM 652 O GLN A 43 5.161 -12.750 20.853 1.00 0.00 O ATOM 653 CB GLN A 43 4.129 -11.469 18.215 1.00 0.00 C ATOM 654 CG GLN A 43 3.630 -12.628 17.314 1.00 0.00 C ATOM 655 CD GLN A 43 4.462 -12.837 16.041 1.00 0.00 C ATOM 656 OE1 GLN A 43 4.320 -12.120 15.052 1.00 0.00 O ATOM 657 NE2 GLN A 43 5.353 -13.818 16.032 1.00 0.00 N ATOM 0 H GLN A 43 4.744 -9.817 20.087 1.00 0.00 H new ATOM 0 HA GLN A 43 2.413 -11.535 19.509 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.912 -10.520 17.724 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.212 -11.537 18.313 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.634 -13.551 17.893 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.595 -12.434 17.031 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.468 -14.410 16.854 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.924 -13.981 15.203 1.00 0.00 H new ATOM 666 N ASN A 44 3.070 -13.624 20.736 1.00 0.00 N ATOM 667 CA ASN A 44 3.409 -14.940 21.338 1.00 0.00 C ATOM 668 C ASN A 44 2.953 -16.048 20.344 1.00 0.00 C ATOM 669 O ASN A 44 1.902 -16.674 20.525 1.00 0.00 O ATOM 670 CB ASN A 44 2.780 -15.088 22.754 1.00 0.00 C ATOM 671 CG ASN A 44 3.299 -14.105 23.824 1.00 0.00 C ATOM 672 OD1 ASN A 44 4.497 -14.019 24.093 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.413 -13.347 24.454 1.00 0.00 N ATOM 0 H ASN A 44 2.077 -13.511 20.533 1.00 0.00 H new ATOM 0 HA ASN A 44 4.484 -15.031 21.493 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.701 -14.964 22.666 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.957 -16.105 23.105 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.722 -12.687 25.167 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.422 -13.424 24.226 1.00 0.00 H new ATOM 680 N GLY A 45 3.741 -16.250 19.265 1.00 0.00 N ATOM 681 CA GLY A 45 3.366 -17.145 18.146 1.00 0.00 C ATOM 682 C GLY A 45 2.280 -16.532 17.235 1.00 0.00 C ATOM 683 O GLY A 45 2.568 -15.665 16.407 1.00 0.00 O ATOM 0 H GLY A 45 4.649 -15.801 19.145 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.252 -17.367 17.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.006 -18.092 18.548 1.00 0.00 H new ATOM 687 N LYS A 46 1.034 -16.981 17.442 1.00 0.00 N ATOM 688 CA LYS A 46 -0.176 -16.347 16.845 1.00 0.00 C ATOM 689 C LYS A 46 -0.852 -15.203 17.678 1.00 0.00 C ATOM 690 O LYS A 46 -1.654 -14.466 17.101 1.00 0.00 O ATOM 691 CB LYS A 46 -1.199 -17.446 16.434 1.00 0.00 C ATOM 692 CG LYS A 46 -1.783 -18.344 17.554 1.00 0.00 C ATOM 693 CD LYS A 46 -2.835 -19.339 17.028 1.00 0.00 C ATOM 694 CE LYS A 46 -3.442 -20.205 18.145 1.00 0.00 C ATOM 695 NZ LYS A 46 -4.427 -21.163 17.608 1.00 0.00 N ATOM 0 H LYS A 46 0.824 -17.791 18.025 1.00 0.00 H new ATOM 0 HA LYS A 46 0.189 -15.817 15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.032 -16.957 15.929 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.718 -18.094 15.701 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.973 -18.896 18.031 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.235 -17.715 18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.631 -18.789 16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.376 -19.986 16.281 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.648 -20.747 18.659 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.922 -19.564 18.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.818 -21.732 18.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.196 -20.644 17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.962 -21.790 16.920 1.00 0.00 H new ATOM 709 N HIS A 47 -0.582 -15.057 18.995 1.00 0.00 N ATOM 710 CA HIS A 47 -1.388 -14.195 19.903 1.00 0.00 C ATOM 711 C HIS A 47 -0.778 -12.768 19.995 1.00 0.00 C ATOM 712 O HIS A 47 0.214 -12.534 20.692 1.00 0.00 O ATOM 713 CB HIS A 47 -1.499 -14.851 21.308 1.00 0.00 C ATOM 714 CG HIS A 47 -2.247 -16.189 21.361 1.00 0.00 C ATOM 715 ND1 HIS A 47 -1.630 -17.428 21.377 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.644 -16.352 21.356 1.00 0.00 C ATOM 717 CE1 HIS A 47 -2.732 -18.239 21.373 1.00 0.00 C ATOM 718 NE2 HIS A 47 -3.993 -17.695 21.361 1.00 0.00 N ATOM 0 H HIS A 47 0.194 -15.528 19.460 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.393 -14.098 19.492 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.493 -15.003 21.698 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.998 -14.150 21.977 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.353 -15.537 21.349 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.610 -19.312 21.379 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.909 -18.143 21.357 1.00 0.00 H new ATOM 726 N PHE A 48 -1.409 -11.821 19.284 1.00 0.00 N ATOM 727 CA PHE A 48 -0.972 -10.397 19.224 1.00 0.00 C ATOM 728 C PHE A 48 -1.685 -9.518 20.293 1.00 0.00 C ATOM 729 O PHE A 48 -2.863 -9.719 20.602 1.00 0.00 O ATOM 730 CB PHE A 48 -1.273 -9.839 17.806 1.00 0.00 C ATOM 731 CG PHE A 48 -0.249 -10.206 16.719 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.325 -11.424 16.035 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.728 -9.275 16.352 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.567 -11.707 15.003 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.602 -9.552 15.308 1.00 0.00 C ATOM 736 CZ PHE A 48 1.518 -10.764 14.630 1.00 0.00 C ATOM 0 H PHE A 48 -2.242 -12.012 18.728 1.00 0.00 H new ATOM 0 HA PHE A 48 0.097 -10.362 19.434 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.253 -10.199 17.493 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.337 -8.753 17.868 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.078 -12.148 16.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.803 -8.337 16.882 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.520 -12.658 14.493 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.348 -8.825 15.022 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.193 -10.973 13.813 1.00 0.00 H new ATOM 746 N LYS A 49 -0.953 -8.514 20.814 1.00 0.00 N ATOM 747 CA LYS A 49 -1.494 -7.528 21.788 1.00 0.00 C ATOM 748 C LYS A 49 -0.729 -6.194 21.561 1.00 0.00 C ATOM 749 O LYS A 49 0.403 -6.039 22.033 1.00 0.00 O ATOM 750 CB LYS A 49 -1.370 -8.089 23.238 1.00 0.00 C ATOM 751 CG LYS A 49 -2.147 -7.351 24.351 1.00 0.00 C ATOM 752 CD LYS A 49 -1.566 -5.988 24.790 1.00 0.00 C ATOM 753 CE LYS A 49 -2.227 -5.377 26.040 1.00 0.00 C ATOM 754 NZ LYS A 49 -1.866 -6.069 27.292 1.00 0.00 N ATOM 0 H LYS A 49 0.027 -8.358 20.577 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.558 -7.341 21.641 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.700 -9.128 23.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.314 -8.093 23.509 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.171 -7.195 24.010 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.197 -8.001 25.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.500 -6.108 24.982 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.664 -5.284 23.964 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.940 -4.328 26.118 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.310 -5.403 25.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.343 -5.609 28.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.163 -7.064 27.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.836 -6.023 27.430 1.00 0.00 H new ATOM 768 N PHE A 50 -1.358 -5.236 20.850 1.00 0.00 N ATOM 769 CA PHE A 50 -0.729 -3.935 20.482 1.00 0.00 C ATOM 770 C PHE A 50 -1.424 -2.731 21.181 1.00 0.00 C ATOM 771 O PHE A 50 -2.655 -2.637 21.191 1.00 0.00 O ATOM 772 CB PHE A 50 -0.616 -3.783 18.940 1.00 0.00 C ATOM 773 CG PHE A 50 -1.869 -3.517 18.081 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.839 -4.507 17.889 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.001 -2.296 17.409 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.919 -4.275 17.042 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.084 -2.069 16.563 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.039 -3.061 16.377 1.00 0.00 C ATOM 0 H PHE A 50 -2.315 -5.335 20.512 1.00 0.00 H new ATOM 0 HA PHE A 50 0.292 -3.934 20.863 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.083 -2.969 18.748 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.155 -4.695 18.561 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.749 -5.454 18.400 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.258 -1.525 17.548 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.667 -5.042 16.901 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.181 -1.123 16.052 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.875 -2.888 15.715 1.00 0.00 H new ATOM 788 N THR A 51 -0.617 -1.817 21.757 1.00 0.00 N ATOM 789 CA THR A 51 -1.118 -0.739 22.658 1.00 0.00 C ATOM 790 C THR A 51 -0.619 0.636 22.111 1.00 0.00 C ATOM 791 O THR A 51 0.461 1.101 22.489 1.00 0.00 O ATOM 792 CB THR A 51 -0.649 -1.041 24.120 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.057 -2.348 24.518 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.197 -0.061 25.172 1.00 0.00 C ATOM 0 H THR A 51 0.393 -1.798 21.618 1.00 0.00 H new ATOM 0 HA THR A 51 -2.207 -0.699 22.681 1.00 0.00 H new ATOM 0 HB THR A 51 0.436 -0.941 24.087 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.754 -2.521 25.434 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.825 -0.340 26.158 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.868 0.950 24.933 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.286 -0.098 25.171 1.00 0.00 H new ATOM 802 N ILE A 52 -1.417 1.286 21.236 1.00 0.00 N ATOM 803 CA ILE A 52 -1.030 2.570 20.569 1.00 0.00 C ATOM 804 C ILE A 52 -1.549 3.761 21.438 1.00 0.00 C ATOM 805 O ILE A 52 -2.732 3.818 21.783 1.00 0.00 O ATOM 806 CB ILE A 52 -1.563 2.669 19.085 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.168 1.455 18.186 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.101 3.982 18.387 1.00 0.00 C ATOM 809 CD1 ILE A 52 -1.821 1.391 16.794 1.00 0.00 C ATOM 0 H ILE A 52 -2.341 0.948 20.967 1.00 0.00 H new ATOM 0 HA ILE A 52 0.057 2.608 20.496 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.648 2.665 19.189 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.086 1.465 18.055 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.416 0.539 18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.490 4.009 17.369 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.478 4.841 18.942 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.012 4.016 18.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.468 0.505 16.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.904 1.341 16.902 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.554 2.282 16.225 1.00 0.00 H new ATOM 821 N THR A 53 -0.672 4.754 21.688 1.00 0.00 N ATOM 822 CA THR A 53 -1.084 6.089 22.212 1.00 0.00 C ATOM 823 C THR A 53 -1.441 6.996 20.991 1.00 0.00 C ATOM 824 O THR A 53 -0.548 7.446 20.263 1.00 0.00 O ATOM 825 CB THR A 53 0.048 6.679 23.109 1.00 0.00 C ATOM 826 OG1 THR A 53 0.344 5.782 24.177 1.00 0.00 O ATOM 827 CG2 THR A 53 -0.296 8.040 23.746 1.00 0.00 C ATOM 0 H THR A 53 0.333 4.664 21.537 1.00 0.00 H new ATOM 0 HA THR A 53 -1.966 6.016 22.848 1.00 0.00 H new ATOM 0 HB THR A 53 0.895 6.821 22.438 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.057 6.160 24.734 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.543 8.380 24.353 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.495 8.769 22.961 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.180 7.934 24.375 1.00 0.00 H new ATOM 835 N ALA A 54 -2.751 7.235 20.778 1.00 0.00 N ATOM 836 CA ALA A 54 -3.258 8.040 19.634 1.00 0.00 C ATOM 837 C ALA A 54 -4.377 8.985 20.135 1.00 0.00 C ATOM 838 O ALA A 54 -5.468 8.541 20.515 1.00 0.00 O ATOM 839 CB ALA A 54 -3.758 7.115 18.508 1.00 0.00 C ATOM 0 H ALA A 54 -3.488 6.880 21.387 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.451 8.646 19.221 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.126 7.718 17.678 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.938 6.485 18.163 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.565 6.486 18.885 1.00 0.00 H new ATOM 845 N GLY A 55 -4.079 10.299 20.146 1.00 0.00 N ATOM 846 CA GLY A 55 -4.997 11.325 20.692 1.00 0.00 C ATOM 847 C GLY A 55 -5.008 11.386 22.236 1.00 0.00 C ATOM 848 O GLY A 55 -4.022 11.058 22.905 1.00 0.00 O ATOM 0 H GLY A 55 -3.205 10.679 19.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.712 12.301 20.300 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.008 11.122 20.337 1.00 0.00 H new ATOM 852 N SER A 56 -6.160 11.790 22.793 1.00 0.00 N ATOM 853 CA SER A 56 -6.385 11.785 24.269 1.00 0.00 C ATOM 854 C SER A 56 -6.455 10.385 24.969 1.00 0.00 C ATOM 855 O SER A 56 -6.199 10.320 26.175 1.00 0.00 O ATOM 856 CB SER A 56 -7.656 12.604 24.596 1.00 0.00 C ATOM 857 OG SER A 56 -7.536 13.958 24.166 1.00 0.00 O ATOM 0 H SER A 56 -6.958 12.127 22.254 1.00 0.00 H new ATOM 0 HA SER A 56 -5.485 12.239 24.684 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.519 12.144 24.114 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.839 12.578 25.670 1.00 0.00 H new ATOM 0 HG SER A 56 -8.357 14.445 24.387 1.00 0.00 H new ATOM 863 N LYS A 57 -6.798 9.297 24.245 1.00 0.00 N ATOM 864 CA LYS A 57 -6.949 7.931 24.811 1.00 0.00 C ATOM 865 C LYS A 57 -5.829 6.980 24.299 1.00 0.00 C ATOM 866 O LYS A 57 -5.375 7.069 23.151 1.00 0.00 O ATOM 867 CB LYS A 57 -8.379 7.386 24.518 1.00 0.00 C ATOM 868 CG LYS A 57 -8.788 7.132 23.039 1.00 0.00 C ATOM 869 CD LYS A 57 -9.997 7.941 22.515 1.00 0.00 C ATOM 870 CE LYS A 57 -9.793 9.459 22.327 1.00 0.00 C ATOM 871 NZ LYS A 57 -8.868 9.797 21.227 1.00 0.00 N ATOM 0 H LYS A 57 -6.980 9.339 23.242 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.833 7.982 25.894 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.493 6.447 25.059 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.095 8.089 24.944 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.929 7.350 22.404 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.010 6.071 22.922 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.298 7.518 21.557 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.828 7.793 23.204 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.759 9.926 22.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.412 9.884 23.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.776 10.830 21.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.935 9.379 21.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.240 9.420 20.332 1.00 0.00 H new ATOM 885 N VAL A 58 -5.436 6.023 25.162 1.00 0.00 N ATOM 886 CA VAL A 58 -4.532 4.900 24.778 1.00 0.00 C ATOM 887 C VAL A 58 -5.467 3.745 24.312 1.00 0.00 C ATOM 888 O VAL A 58 -6.181 3.130 25.113 1.00 0.00 O ATOM 889 CB VAL A 58 -3.561 4.509 25.944 1.00 0.00 C ATOM 890 CG1 VAL A 58 -2.650 3.309 25.588 1.00 0.00 C ATOM 891 CG2 VAL A 58 -2.646 5.676 26.391 1.00 0.00 C ATOM 0 H VAL A 58 -5.728 5.998 26.139 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.856 5.175 23.968 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.228 4.237 26.762 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.999 3.083 26.433 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.266 2.439 25.362 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.042 3.559 24.718 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.998 5.341 27.201 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.035 6.003 25.549 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.260 6.507 26.738 1.00 0.00 H new ATOM 901 N ILE A 59 -5.447 3.485 22.994 1.00 0.00 N ATOM 902 CA ILE A 59 -6.372 2.533 22.322 1.00 0.00 C ATOM 903 C ILE A 59 -5.683 1.135 22.375 1.00 0.00 C ATOM 904 O ILE A 59 -4.741 0.866 21.620 1.00 0.00 O ATOM 905 CB ILE A 59 -6.710 3.048 20.875 1.00 0.00 C ATOM 906 CG1 ILE A 59 -7.413 4.444 20.867 1.00 0.00 C ATOM 907 CG2 ILE A 59 -7.586 2.038 20.093 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.457 5.151 19.507 1.00 0.00 C ATOM 0 H ILE A 59 -4.788 3.928 22.354 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.340 2.452 22.817 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.744 3.152 20.380 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.435 4.319 21.226 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.902 5.093 21.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.796 2.432 19.099 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.056 1.090 20.003 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.523 1.880 20.626 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.965 6.110 19.612 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.441 5.316 19.150 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.997 4.530 18.792 1.00 0.00 H new ATOM 920 N GLN A 60 -6.162 0.273 23.294 1.00 0.00 N ATOM 921 CA GLN A 60 -5.531 -1.039 23.578 1.00 0.00 C ATOM 922 C GLN A 60 -6.325 -2.161 22.854 1.00 0.00 C ATOM 923 O GLN A 60 -7.492 -2.423 23.161 1.00 0.00 O ATOM 924 CB GLN A 60 -5.447 -1.243 25.113 1.00 0.00 C ATOM 925 CG GLN A 60 -4.524 -2.410 25.528 1.00 0.00 C ATOM 926 CD GLN A 60 -4.449 -2.616 27.047 1.00 0.00 C ATOM 927 OE1 GLN A 60 -5.286 -3.296 27.640 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.448 -2.050 27.706 1.00 0.00 N ATOM 0 H GLN A 60 -6.991 0.461 23.858 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.511 -1.075 23.194 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.088 -0.324 25.575 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.448 -1.425 25.503 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.880 -3.329 25.061 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.521 -2.225 25.144 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.760 -1.488 27.204 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.366 -2.176 28.715 1.00 0.00 H new ATOM 937 N ASN A 61 -5.657 -2.796 21.882 1.00 0.00 N ATOM 938 CA ASN A 61 -6.278 -3.781 20.955 1.00 0.00 C ATOM 939 C ASN A 61 -5.579 -5.159 21.105 1.00 0.00 C ATOM 940 O ASN A 61 -4.379 -5.247 21.396 1.00 0.00 O ATOM 941 CB ASN A 61 -6.153 -3.259 19.497 1.00 0.00 C ATOM 942 CG ASN A 61 -6.939 -1.979 19.149 1.00 0.00 C ATOM 943 OD1 ASN A 61 -7.760 -1.486 19.921 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.694 -1.403 17.987 1.00 0.00 N ATOM 0 H ASN A 61 -4.663 -2.647 21.707 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.333 -3.904 21.199 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.098 -3.077 19.290 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.478 -4.052 18.823 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.186 -0.548 17.728 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.013 -1.813 17.348 1.00 0.00 H new ATOM 951 N GLU A 62 -6.350 -6.243 20.899 1.00 0.00 N ATOM 952 CA GLU A 62 -5.849 -7.632 21.057 1.00 0.00 C ATOM 953 C GLU A 62 -6.550 -8.521 19.996 1.00 0.00 C ATOM 954 O GLU A 62 -7.784 -8.599 19.941 1.00 0.00 O ATOM 955 CB GLU A 62 -6.079 -8.125 22.514 1.00 0.00 C ATOM 956 CG GLU A 62 -5.326 -9.423 22.873 1.00 0.00 C ATOM 957 CD GLU A 62 -5.577 -9.878 24.311 1.00 0.00 C ATOM 958 OE1 GLU A 62 -4.844 -9.433 25.222 1.00 0.00 O ATOM 959 OE2 GLU A 62 -6.507 -10.683 24.538 1.00 0.00 O ATOM 0 H GLU A 62 -7.330 -6.188 20.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.773 -7.684 20.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.772 -7.339 23.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.146 -8.284 22.667 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.630 -10.215 22.188 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.257 -9.269 22.727 1.00 0.00 H new ATOM 966 N PHE A 63 -5.732 -9.192 19.168 1.00 0.00 N ATOM 967 CA PHE A 63 -6.213 -10.121 18.110 1.00 0.00 C ATOM 968 C PHE A 63 -5.395 -11.449 18.109 1.00 0.00 C ATOM 969 O PHE A 63 -4.377 -11.595 18.793 1.00 0.00 O ATOM 970 CB PHE A 63 -6.264 -9.399 16.725 1.00 0.00 C ATOM 971 CG PHE A 63 -4.920 -9.055 16.048 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.257 -7.866 16.360 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.359 -9.924 15.104 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.067 -7.534 15.714 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.168 -9.592 14.467 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.528 -8.394 14.765 1.00 0.00 C ATOM 0 H PHE A 63 -4.716 -9.111 19.207 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.239 -10.417 18.331 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.834 -10.026 16.040 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.824 -8.472 16.850 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.668 -7.201 17.105 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.853 -10.855 14.870 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.564 -6.608 15.951 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.740 -10.266 13.740 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.611 -8.132 14.258 1.00 0.00 H new ATOM 986 N THR A 64 -5.856 -12.414 17.296 1.00 0.00 N ATOM 987 CA THR A 64 -5.091 -13.652 16.985 1.00 0.00 C ATOM 988 C THR A 64 -5.160 -13.852 15.440 1.00 0.00 C ATOM 989 O THR A 64 -6.235 -13.763 14.834 1.00 0.00 O ATOM 990 CB THR A 64 -5.635 -14.855 17.812 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.617 -14.545 19.203 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.820 -16.145 17.642 1.00 0.00 C ATOM 0 H THR A 64 -6.764 -12.367 16.834 1.00 0.00 H new ATOM 0 HA THR A 64 -4.043 -13.573 17.275 1.00 0.00 H new ATOM 0 HB THR A 64 -6.643 -15.024 17.434 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.962 -15.308 19.713 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.261 -16.936 18.249 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.827 -16.444 16.594 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.793 -15.971 17.963 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.002 -14.140 14.809 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.901 -14.351 13.333 1.00 0.00 C ATOM 1002 C VAL A 65 -4.589 -15.681 12.897 1.00 0.00 C ATOM 1003 O VAL A 65 -4.349 -16.748 13.471 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.444 -14.240 12.761 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -1.970 -12.777 12.669 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.371 -15.091 13.471 1.00 0.00 C ATOM 0 H VAL A 65 -3.111 -14.234 15.297 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.446 -13.519 12.887 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.542 -14.667 11.763 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.957 -12.747 12.268 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.637 -12.219 12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.981 -12.328 13.662 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.405 -14.934 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.307 -14.796 14.518 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.641 -16.145 13.406 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.489 -15.562 11.908 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.476 -16.623 11.591 1.00 0.00 C ATOM 1018 C GLY A 66 -7.665 -16.817 12.569 1.00 0.00 C ATOM 1019 O GLY A 66 -8.148 -17.943 12.713 1.00 0.00 O ATOM 0 H GLY A 66 -5.559 -14.740 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.885 -16.416 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.940 -17.570 11.522 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.141 -15.731 13.206 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.302 -15.753 14.128 1.00 0.00 C ATOM 1025 C GLU A 67 -10.027 -14.383 14.031 1.00 0.00 C ATOM 1026 O GLU A 67 -9.395 -13.320 14.054 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.844 -16.075 15.573 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.974 -16.369 16.582 1.00 0.00 C ATOM 1029 CD GLU A 67 -10.819 -17.612 16.286 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -10.375 -18.737 16.604 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -11.930 -17.468 15.730 1.00 0.00 O ATOM 0 H GLU A 67 -7.730 -14.804 13.097 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.001 -16.540 13.845 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.178 -16.937 15.540 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.259 -15.234 15.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.533 -16.479 17.573 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.635 -15.503 16.622 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.373 -14.427 13.981 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.233 -13.211 13.974 1.00 0.00 C ATOM 1040 C GLU A 68 -12.260 -12.540 15.382 1.00 0.00 C ATOM 1041 O GLU A 68 -12.901 -13.038 16.313 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.651 -13.513 13.405 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.469 -14.669 14.038 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.787 -14.956 13.311 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -15.753 -15.348 12.124 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -16.864 -14.810 13.930 1.00 0.00 O ATOM 0 H GLU A 68 -11.900 -15.300 13.944 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.793 -12.482 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.244 -12.602 13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.544 -13.726 12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.861 -15.574 14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.683 -14.424 15.078 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.498 -11.440 15.524 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.221 -10.794 16.834 1.00 0.00 C ATOM 1055 C CYS A 69 -11.339 -9.253 16.710 1.00 0.00 C ATOM 1056 O CYS A 69 -10.937 -8.657 15.702 1.00 0.00 O ATOM 1057 CB CYS A 69 -9.806 -11.179 17.316 1.00 0.00 C ATOM 1058 SG CYS A 69 -9.657 -12.977 17.584 1.00 0.00 S ATOM 0 H CYS A 69 -11.053 -10.968 14.737 1.00 0.00 H new ATOM 0 HA CYS A 69 -11.955 -11.141 17.562 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.070 -10.858 16.579 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.580 -10.652 18.243 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.453 -13.258 17.986 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.879 -8.610 17.765 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.200 -7.157 17.748 1.00 0.00 C ATOM 1066 C GLU A 70 -10.950 -6.234 17.680 1.00 0.00 C ATOM 1067 O GLU A 70 -9.945 -6.470 18.360 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.185 -6.780 18.893 1.00 0.00 C ATOM 1069 CG GLU A 70 -12.697 -6.811 20.366 1.00 0.00 C ATOM 1070 CD GLU A 70 -11.831 -5.619 20.803 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -12.276 -4.459 20.659 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -10.701 -5.839 21.292 1.00 0.00 O ATOM 0 H GLU A 70 -12.105 -9.071 18.646 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.717 -6.969 16.807 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.549 -5.773 18.691 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.042 -7.449 18.819 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.569 -6.862 21.018 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.128 -7.727 20.522 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.063 -5.175 16.865 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.068 -4.078 16.816 1.00 0.00 C ATOM 1081 C LEU A 71 -10.833 -2.776 17.152 1.00 0.00 C ATOM 1082 O LEU A 71 -11.788 -2.416 16.458 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.391 -3.975 15.418 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.534 -5.182 14.942 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.996 -4.929 13.520 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.359 -5.506 15.885 1.00 0.00 C ATOM 0 H LEU A 71 -11.843 -5.049 16.220 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.264 -4.262 17.528 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.173 -3.806 14.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.755 -3.090 15.417 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.198 -6.047 14.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.398 -5.782 13.200 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.832 -4.794 12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.377 -4.032 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.803 -6.358 15.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.698 -4.642 15.953 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.744 -5.748 16.876 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.402 -2.049 18.201 1.00 0.00 N ATOM 1099 CA GLU A 72 -11.011 -0.742 18.570 1.00 0.00 C ATOM 1100 C GLU A 72 -10.478 0.345 17.591 1.00 0.00 C ATOM 1101 O GLU A 72 -9.312 0.746 17.666 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.730 -0.313 20.039 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.004 -1.341 21.158 1.00 0.00 C ATOM 1104 CD GLU A 72 -10.689 -0.807 22.561 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -9.541 -0.375 22.806 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -11.589 -0.826 23.429 1.00 0.00 O ATOM 0 H GLU A 72 -9.637 -2.338 18.811 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.092 -0.853 18.492 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.683 -0.017 20.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.326 0.575 20.248 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.051 -1.642 21.118 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.408 -2.235 20.975 1.00 0.00 H new ATOM 1113 N THR A 73 -11.338 0.809 16.667 1.00 0.00 N ATOM 1114 CA THR A 73 -10.985 1.894 15.703 1.00 0.00 C ATOM 1115 C THR A 73 -10.936 3.281 16.432 1.00 0.00 C ATOM 1116 O THR A 73 -11.590 3.490 17.461 1.00 0.00 O ATOM 1117 CB THR A 73 -11.987 1.822 14.505 1.00 0.00 C ATOM 1118 OG1 THR A 73 -11.957 0.522 13.920 1.00 0.00 O ATOM 1119 CG2 THR A 73 -11.750 2.828 13.363 1.00 0.00 C ATOM 0 H THR A 73 -12.288 0.455 16.559 1.00 0.00 H new ATOM 0 HA THR A 73 -9.983 1.761 15.295 1.00 0.00 H new ATOM 0 HB THR A 73 -12.946 2.072 14.958 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.244 0.482 13.249 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.504 2.685 12.589 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.818 3.844 13.753 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.759 2.669 12.937 1.00 0.00 H new ATOM 1127 N MET A 74 -10.151 4.228 15.880 1.00 0.00 N ATOM 1128 CA MET A 74 -10.034 5.625 16.405 1.00 0.00 C ATOM 1129 C MET A 74 -11.388 6.387 16.589 1.00 0.00 C ATOM 1130 O MET A 74 -11.631 6.912 17.679 1.00 0.00 O ATOM 1131 CB MET A 74 -9.009 6.434 15.561 1.00 0.00 C ATOM 1132 CG MET A 74 -7.524 6.098 15.796 1.00 0.00 C ATOM 1133 SD MET A 74 -7.113 4.433 15.231 1.00 0.00 S ATOM 1134 CE MET A 74 -5.376 4.336 15.709 1.00 0.00 C ATOM 0 H MET A 74 -9.575 4.056 15.056 1.00 0.00 H new ATOM 0 HA MET A 74 -9.660 5.528 17.424 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.234 6.278 14.506 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.157 7.494 15.765 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.901 6.823 15.273 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.295 6.188 16.858 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.975 3.363 15.427 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.815 5.121 15.202 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.288 4.466 16.788 1.00 0.00 H new ATOM 1144 N THR A 75 -12.298 6.345 15.591 1.00 0.00 N ATOM 1145 CA THR A 75 -13.764 6.488 15.830 1.00 0.00 C ATOM 1146 C THR A 75 -14.271 5.147 16.442 1.00 0.00 C ATOM 1147 O THR A 75 -14.179 4.100 15.793 1.00 0.00 O ATOM 1148 CB THR A 75 -14.474 6.860 14.496 1.00 0.00 C ATOM 1149 OG1 THR A 75 -14.009 8.131 14.062 1.00 0.00 O ATOM 1150 CG2 THR A 75 -16.008 6.954 14.570 1.00 0.00 C ATOM 0 H THR A 75 -12.050 6.214 14.610 1.00 0.00 H new ATOM 0 HA THR A 75 -13.989 7.292 16.531 1.00 0.00 H new ATOM 0 HB THR A 75 -14.231 6.045 13.814 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.673 8.536 13.465 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.404 7.218 13.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.417 5.992 14.879 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.291 7.718 15.294 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.753 5.199 17.700 1.00 0.00 N ATOM 1159 CA GLY A 76 -14.904 4.005 18.568 1.00 0.00 C ATOM 1160 C GLY A 76 -15.875 2.911 18.078 1.00 0.00 C ATOM 1161 O GLY A 76 -17.091 3.030 18.247 1.00 0.00 O ATOM 0 H GLY A 76 -15.049 6.067 18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.921 3.553 18.699 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.236 4.339 19.551 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.298 1.868 17.460 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.058 0.782 16.792 1.00 0.00 C ATOM 1167 C GLU A 77 -15.273 -0.530 17.039 1.00 0.00 C ATOM 1168 O GLU A 77 -14.134 -0.680 16.584 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.240 1.046 15.271 1.00 0.00 C ATOM 1170 CG GLU A 77 -17.253 2.150 14.895 1.00 0.00 C ATOM 1171 CD GLU A 77 -18.715 1.812 15.205 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -19.343 1.070 14.420 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -19.241 2.287 16.236 1.00 0.00 O ATOM 0 H GLU A 77 -14.287 1.747 17.406 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.065 0.721 17.204 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.270 1.310 14.849 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.552 0.116 14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.986 3.064 15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.161 2.360 13.829 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.900 -1.473 17.766 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.252 -2.746 18.186 1.00 0.00 C ATOM 1182 C LYS A 78 -15.572 -3.811 17.101 1.00 0.00 C ATOM 1183 O LYS A 78 -16.603 -4.492 17.144 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.739 -3.163 19.605 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.160 -2.385 20.811 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.610 -0.917 20.969 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.042 -0.245 22.230 1.00 0.00 C ATOM 1188 NZ LYS A 78 -15.495 1.153 22.342 1.00 0.00 N ATOM 0 H LYS A 78 -16.866 -1.382 18.082 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.171 -2.635 18.264 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.824 -3.067 19.631 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.509 -4.220 19.743 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -15.425 -2.922 21.722 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.073 -2.402 20.736 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.298 -0.351 20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.699 -0.879 21.003 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.354 -0.802 23.113 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.953 -0.275 22.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.095 1.580 23.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.176 1.689 21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.533 1.178 22.393 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.688 -3.878 16.091 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.998 -4.489 14.774 1.00 0.00 C ATOM 1204 C VAL A 79 -14.259 -5.853 14.649 1.00 0.00 C ATOM 1205 O VAL A 79 -13.034 -5.898 14.492 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.738 -3.440 13.635 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.339 -2.786 13.572 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -15.098 -3.990 12.243 1.00 0.00 C ATOM 0 H VAL A 79 -13.738 -3.513 16.158 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.053 -4.742 14.673 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.413 -2.636 13.928 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.302 -2.085 12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.144 -2.254 14.503 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.583 -3.558 13.430 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.901 -3.228 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.494 -4.873 12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.154 -4.259 12.220 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.033 -6.957 14.701 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.499 -8.342 14.614 1.00 0.00 C ATOM 1220 C LYS A 80 -14.081 -8.703 13.160 1.00 0.00 C ATOM 1221 O LYS A 80 -14.905 -8.734 12.241 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.457 -9.368 15.278 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.871 -9.547 14.672 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.857 -10.379 15.524 1.00 0.00 C ATOM 1225 CE LYS A 80 -17.626 -11.904 15.568 1.00 0.00 C ATOM 1226 NZ LYS A 80 -16.547 -12.320 16.484 1.00 0.00 N ATOM 0 H LYS A 80 -16.047 -6.919 14.804 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.580 -8.392 15.197 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.964 -10.340 15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.576 -9.084 16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.304 -8.561 14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.772 -10.021 13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.825 -10.001 16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.865 -10.199 15.149 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.553 -12.393 15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.391 -12.255 14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.711 -13.300 16.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.632 -12.259 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.536 -11.694 17.315 1.00 0.00 H new ATOM 1240 N THR A 81 -12.766 -8.909 12.985 1.00 0.00 N ATOM 1241 CA THR A 81 -12.117 -9.034 11.654 1.00 0.00 C ATOM 1242 C THR A 81 -10.979 -10.092 11.745 1.00 0.00 C ATOM 1243 O THR A 81 -10.187 -10.112 12.697 1.00 0.00 O ATOM 1244 CB THR A 81 -11.646 -7.643 11.121 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.176 -7.774 9.783 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.562 -6.914 11.939 1.00 0.00 C ATOM 0 H THR A 81 -12.112 -8.995 13.763 1.00 0.00 H new ATOM 0 HA THR A 81 -12.835 -9.389 10.915 1.00 0.00 H new ATOM 0 HB THR A 81 -12.538 -7.022 11.203 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.248 -7.462 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.325 -5.963 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.929 -6.733 12.949 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.664 -7.531 11.984 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.889 -10.946 10.710 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.830 -11.989 10.601 1.00 0.00 C ATOM 1256 C VAL A 82 -8.550 -11.298 10.038 1.00 0.00 C ATOM 1257 O VAL A 82 -8.553 -10.813 8.900 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.278 -13.209 9.719 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.227 -14.343 9.730 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.631 -13.844 10.120 1.00 0.00 C ATOM 0 H VAL A 82 -11.540 -10.941 9.925 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.627 -12.413 11.584 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.387 -12.769 8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.575 -15.168 9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.282 -13.967 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.082 -14.695 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.854 -14.677 9.454 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.573 -14.206 11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.421 -13.097 10.043 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.468 -11.266 10.843 1.00 0.00 N ATOM 1271 CA VAL A 83 -6.190 -10.614 10.437 1.00 0.00 C ATOM 1272 C VAL A 83 -5.290 -11.733 9.839 1.00 0.00 C ATOM 1273 O VAL A 83 -4.792 -12.596 10.568 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.495 -9.832 11.605 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -4.238 -9.067 11.118 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.420 -8.844 12.361 1.00 0.00 C ATOM 0 H VAL A 83 -7.446 -11.680 11.775 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.384 -9.841 9.693 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.212 -10.613 12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.786 -8.538 11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.519 -9.774 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.524 -8.349 10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.855 -8.349 13.151 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.801 -8.097 11.665 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.255 -9.391 12.800 1.00 0.00 H new ATOM 1286 N GLN A 84 -5.084 -11.699 8.511 1.00 0.00 N ATOM 1287 CA GLN A 84 -4.242 -12.685 7.801 1.00 0.00 C ATOM 1288 C GLN A 84 -2.793 -12.159 7.674 1.00 0.00 C ATOM 1289 O GLN A 84 -2.546 -11.062 7.161 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.848 -12.964 6.403 1.00 0.00 C ATOM 1291 CG GLN A 84 -6.075 -13.899 6.378 1.00 0.00 C ATOM 1292 CD GLN A 84 -5.781 -15.367 6.740 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -5.126 -16.093 5.993 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -6.259 -15.835 7.882 1.00 0.00 N ATOM 0 H GLN A 84 -5.493 -10.992 7.900 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.215 -13.615 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.131 -12.012 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.072 -13.396 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.822 -13.512 7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.517 -13.867 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.801 -15.227 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.085 -16.804 8.149 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.846 -12.996 8.123 1.00 0.00 N ATOM 1304 CA LEU A 85 -0.395 -12.708 8.020 1.00 0.00 C ATOM 1305 C LEU A 85 0.162 -13.340 6.717 1.00 0.00 C ATOM 1306 O LEU A 85 0.131 -14.561 6.529 1.00 0.00 O ATOM 1307 CB LEU A 85 0.318 -13.208 9.305 1.00 0.00 C ATOM 1308 CG LEU A 85 1.866 -13.068 9.381 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.410 -11.679 9.000 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.364 -13.454 10.782 1.00 0.00 C ATOM 0 H LEU A 85 -2.056 -13.890 8.567 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.209 -11.636 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.108 -12.673 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.071 -14.261 9.436 1.00 0.00 H new ATOM 0 HG LEU A 85 2.254 -13.754 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.497 -11.679 9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.124 -11.445 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.994 -10.928 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.448 -13.352 10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.909 -12.797 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.088 -14.487 10.994 1.00 0.00 H new ATOM 1322 N GLU A 86 0.705 -12.467 5.855 1.00 0.00 N ATOM 1323 CA GLU A 86 1.428 -12.877 4.626 1.00 0.00 C ATOM 1324 C GLU A 86 2.944 -12.994 4.923 1.00 0.00 C ATOM 1325 O GLU A 86 3.591 -12.032 5.355 1.00 0.00 O ATOM 1326 CB GLU A 86 1.188 -11.878 3.465 1.00 0.00 C ATOM 1327 CG GLU A 86 -0.218 -11.958 2.840 1.00 0.00 C ATOM 1328 CD GLU A 86 -0.371 -11.102 1.577 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -0.170 -9.868 1.645 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.695 -11.660 0.506 1.00 0.00 O ATOM 0 H GLU A 86 0.659 -11.456 5.984 1.00 0.00 H new ATOM 0 HA GLU A 86 1.042 -13.848 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.352 -10.865 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.930 -12.058 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.441 -12.997 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.954 -11.639 3.578 1.00 0.00 H new ATOM 1337 N GLY A 87 3.484 -14.197 4.666 1.00 0.00 N ATOM 1338 CA GLY A 87 4.930 -14.477 4.803 1.00 0.00 C ATOM 1339 C GLY A 87 5.390 -14.632 6.266 1.00 0.00 C ATOM 1340 O GLY A 87 5.124 -15.657 6.900 1.00 0.00 O ATOM 0 H GLY A 87 2.937 -15.001 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.169 -15.390 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.494 -13.669 4.337 1.00 0.00 H new ATOM 1344 N ASP A 88 6.082 -13.597 6.769 1.00 0.00 N ATOM 1345 CA ASP A 88 6.582 -13.541 8.176 1.00 0.00 C ATOM 1346 C ASP A 88 6.341 -12.171 8.877 1.00 0.00 C ATOM 1347 O ASP A 88 6.055 -12.161 10.078 1.00 0.00 O ATOM 1348 CB ASP A 88 8.082 -13.941 8.284 1.00 0.00 C ATOM 1349 CG ASP A 88 8.390 -15.416 7.988 1.00 0.00 C ATOM 1350 OD1 ASP A 88 8.186 -16.268 8.881 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.833 -15.727 6.860 1.00 0.00 O ATOM 0 H ASP A 88 6.317 -12.769 6.221 1.00 0.00 H new ATOM 0 HA ASP A 88 5.983 -14.279 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.657 -13.322 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.432 -13.709 9.290 1.00 0.00 H new ATOM 1356 N ASN A 89 6.498 -11.042 8.162 1.00 0.00 N ATOM 1357 CA ASN A 89 6.418 -9.675 8.743 1.00 0.00 C ATOM 1358 C ASN A 89 5.553 -8.674 7.907 1.00 0.00 C ATOM 1359 O ASN A 89 5.965 -7.532 7.680 1.00 0.00 O ATOM 1360 CB ASN A 89 7.854 -9.187 9.090 1.00 0.00 C ATOM 1361 CG ASN A 89 8.842 -8.844 7.948 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.571 -9.015 6.759 1.00 0.00 O ATOM 1363 ND2 ASN A 89 10.017 -8.346 8.299 1.00 0.00 N ATOM 0 H ASN A 89 6.685 -11.045 7.159 1.00 0.00 H new ATOM 0 HA ASN A 89 5.855 -9.721 9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.755 -8.298 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.320 -9.957 9.705 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.702 -8.102 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.238 -8.206 9.285 1.00 0.00 H new ATOM 1370 N LYS A 90 4.334 -9.083 7.491 1.00 0.00 N ATOM 1371 CA LYS A 90 3.404 -8.211 6.720 1.00 0.00 C ATOM 1372 C LYS A 90 1.938 -8.627 7.020 1.00 0.00 C ATOM 1373 O LYS A 90 1.403 -9.555 6.406 1.00 0.00 O ATOM 1374 CB LYS A 90 3.791 -8.244 5.212 1.00 0.00 C ATOM 1375 CG LYS A 90 3.105 -7.205 4.297 1.00 0.00 C ATOM 1376 CD LYS A 90 1.810 -7.696 3.613 1.00 0.00 C ATOM 1377 CE LYS A 90 1.292 -6.791 2.478 1.00 0.00 C ATOM 1378 NZ LYS A 90 2.096 -6.890 1.245 1.00 0.00 N ATOM 0 H LYS A 90 3.965 -10.016 7.675 1.00 0.00 H new ATOM 0 HA LYS A 90 3.489 -7.169 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.869 -8.106 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.568 -9.238 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.873 -6.319 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.812 -6.898 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.985 -8.694 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.030 -7.789 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.259 -7.056 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.288 -5.756 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.699 -6.259 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.077 -6.611 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.080 -7.870 0.898 1.00 0.00 H new ATOM 1392 N LEU A 91 1.289 -7.902 7.950 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.136 -8.126 8.326 1.00 0.00 C ATOM 1394 C LEU A 91 -1.107 -7.421 7.335 1.00 0.00 C ATOM 1395 O LEU A 91 -0.767 -6.410 6.709 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.386 -7.605 9.771 1.00 0.00 C ATOM 1397 CG LEU A 91 0.329 -8.370 10.920 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.410 -7.504 12.190 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.316 -9.734 11.228 1.00 0.00 C ATOM 0 H LEU A 91 1.730 -7.142 8.467 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.332 -9.197 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.079 -6.560 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.459 -7.630 9.961 1.00 0.00 H new ATOM 0 HG LEU A 91 1.340 -8.577 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.914 -8.062 12.979 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.969 -6.594 11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.596 -7.243 12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.228 -10.219 12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.354 -9.587 11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.279 -10.363 10.339 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.320 -7.988 7.198 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.343 -7.514 6.224 1.00 0.00 C ATOM 1413 C VAL A 92 -4.718 -7.635 6.947 1.00 0.00 C ATOM 1414 O VAL A 92 -5.147 -8.741 7.298 1.00 0.00 O ATOM 1415 CB VAL A 92 -3.315 -8.317 4.871 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -4.317 -7.754 3.835 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -1.928 -8.385 4.189 1.00 0.00 C ATOM 0 H VAL A 92 -2.626 -8.786 7.754 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.141 -6.484 5.931 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.596 -9.325 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.261 -8.341 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.328 -7.809 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.069 -6.715 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.005 -8.957 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.584 -7.376 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.217 -8.870 4.858 1.00 0.00 H new ATOM 1427 N THR A 93 -5.416 -6.497 7.131 1.00 0.00 N ATOM 1428 CA THR A 93 -6.784 -6.470 7.717 1.00 0.00 C ATOM 1429 C THR A 93 -7.536 -5.210 7.214 1.00 0.00 C ATOM 1430 O THR A 93 -7.174 -4.074 7.526 1.00 0.00 O ATOM 1431 CB THR A 93 -6.799 -6.607 9.270 1.00 0.00 C ATOM 1432 OG1 THR A 93 -8.143 -6.674 9.735 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.054 -5.533 10.088 1.00 0.00 C ATOM 0 H THR A 93 -5.057 -5.575 6.882 1.00 0.00 H new ATOM 0 HA THR A 93 -7.316 -7.355 7.368 1.00 0.00 H new ATOM 0 HB THR A 93 -6.237 -7.525 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.155 -6.601 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.148 -5.755 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.000 -5.530 9.810 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.486 -4.554 9.882 1.00 0.00 H new ATOM 1441 N THR A 94 -8.620 -5.460 6.469 1.00 0.00 N ATOM 1442 CA THR A 94 -9.568 -4.419 6.002 1.00 0.00 C ATOM 1443 C THR A 94 -10.863 -4.520 6.860 1.00 0.00 C ATOM 1444 O THR A 94 -11.466 -5.592 6.985 1.00 0.00 O ATOM 1445 CB THR A 94 -9.783 -4.523 4.466 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.700 -3.519 4.041 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.253 -5.890 3.930 1.00 0.00 C ATOM 0 H THR A 94 -8.874 -6.400 6.165 1.00 0.00 H new ATOM 0 HA THR A 94 -9.169 -3.415 6.149 1.00 0.00 H new ATOM 0 HB THR A 94 -8.787 -4.382 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.832 -3.586 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.367 -5.837 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.515 -6.652 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.210 -6.149 4.383 1.00 0.00 H new ATOM 1455 N PHE A 95 -11.258 -3.385 7.461 1.00 0.00 N ATOM 1456 CA PHE A 95 -12.373 -3.328 8.446 1.00 0.00 C ATOM 1457 C PHE A 95 -13.247 -2.078 8.151 1.00 0.00 C ATOM 1458 O PHE A 95 -12.765 -0.944 8.217 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.862 -3.420 9.916 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.794 -2.420 10.412 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -11.171 -1.153 10.868 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.442 -2.783 10.442 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -10.214 -0.259 11.337 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.486 -1.892 10.929 1.00 0.00 C ATOM 1465 CZ PHE A 95 -8.876 -0.632 11.380 1.00 0.00 C ATOM 0 H PHE A 95 -10.821 -2.480 7.285 1.00 0.00 H new ATOM 0 HA PHE A 95 -13.010 -4.205 8.333 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -12.729 -3.324 10.570 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.463 -4.424 10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.212 -0.867 10.856 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.138 -3.757 10.087 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -10.511 0.725 11.668 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.445 -2.178 10.957 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.137 0.056 11.764 1.00 0.00 H new ATOM 1475 N LYS A 96 -14.529 -2.308 7.794 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.481 -1.262 7.315 1.00 0.00 C ATOM 1477 C LYS A 96 -15.066 -0.782 5.890 1.00 0.00 C ATOM 1478 O LYS A 96 -15.364 -1.466 4.905 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.834 -0.147 8.352 1.00 0.00 C ATOM 1480 CG LYS A 96 -16.439 -0.627 9.691 1.00 0.00 C ATOM 1481 CD LYS A 96 -16.761 0.504 10.696 1.00 0.00 C ATOM 1482 CE LYS A 96 -15.567 1.333 11.221 1.00 0.00 C ATOM 1483 NZ LYS A 96 -14.612 0.540 12.015 1.00 0.00 N ATOM 0 H LYS A 96 -14.946 -3.238 7.828 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.462 -1.726 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.928 0.419 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.537 0.544 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.354 -1.181 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.744 -1.324 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.467 1.187 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.270 0.062 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.044 1.779 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.944 2.153 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.065 1.173 12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.131 -0.148 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.965 0.035 11.376 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.329 0.341 5.793 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.499 0.676 4.613 1.00 0.00 C ATOM 1499 C ASN A 97 -12.176 1.356 5.099 1.00 0.00 C ATOM 1500 O ASN A 97 -11.899 2.513 4.769 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.360 1.519 3.623 1.00 0.00 C ATOM 1502 CG ASN A 97 -13.720 1.776 2.251 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -13.415 2.910 1.887 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -13.496 0.730 1.475 1.00 0.00 N ATOM 0 H ASN A 97 -14.290 1.045 6.530 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.184 -0.207 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.312 1.011 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.582 2.480 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.064 0.857 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.755 -0.205 1.791 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.356 0.619 5.879 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.046 1.097 6.396 1.00 0.00 C ATOM 1513 C ILE A 98 -9.086 -0.087 6.082 1.00 0.00 C ATOM 1514 O ILE A 98 -9.017 -1.059 6.841 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.069 1.510 7.918 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -11.015 2.703 8.268 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.650 1.878 8.423 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.451 2.319 8.653 1.00 0.00 C ATOM 0 H ILE A 98 -11.582 -0.331 6.172 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.730 2.028 5.925 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.458 0.622 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.574 3.263 9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.055 3.375 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.700 2.158 9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.988 1.020 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.263 2.715 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.021 3.221 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.920 1.789 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.432 1.675 9.532 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.340 0.030 4.967 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.385 -1.009 4.500 1.00 0.00 C ATOM 1532 C LYS A 99 -6.044 -0.830 5.268 1.00 0.00 C ATOM 1533 O LYS A 99 -5.209 -0.003 4.892 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.301 -0.874 2.952 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.516 -1.960 2.177 1.00 0.00 C ATOM 1536 CD LYS A 99 -4.972 -1.913 2.227 1.00 0.00 C ATOM 1537 CE LYS A 99 -4.325 -0.634 1.655 1.00 0.00 C ATOM 1538 NZ LYS A 99 -2.860 -0.653 1.812 1.00 0.00 N ATOM 0 H LYS A 99 -8.378 0.848 4.359 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.696 -2.032 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.318 -0.853 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.851 0.092 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.833 -2.933 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.818 -1.908 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.656 -2.026 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.582 -2.772 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.578 -0.538 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.735 0.240 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.457 0.221 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.620 -0.720 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.467 -1.474 1.308 1.00 0.00 H new ATOM 1552 N SER A 100 -5.878 -1.602 6.359 1.00 0.00 N ATOM 1553 CA SER A 100 -4.767 -1.423 7.329 1.00 0.00 C ATOM 1554 C SER A 100 -3.699 -2.530 7.126 1.00 0.00 C ATOM 1555 O SER A 100 -3.964 -3.714 7.362 1.00 0.00 O ATOM 1556 CB SER A 100 -5.353 -1.420 8.762 1.00 0.00 C ATOM 1557 OG SER A 100 -4.347 -1.134 9.724 1.00 0.00 O ATOM 0 H SER A 100 -6.507 -2.369 6.598 1.00 0.00 H new ATOM 0 HA SER A 100 -4.265 -0.469 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.149 -0.678 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.801 -2.390 8.977 1.00 0.00 H new ATOM 0 HG SER A 100 -4.742 -1.136 10.621 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.494 -2.117 6.693 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.349 -3.038 6.433 1.00 0.00 C ATOM 1565 C VAL A 101 -0.225 -2.620 7.414 1.00 0.00 C ATOM 1566 O VAL A 101 0.369 -1.552 7.249 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.895 -2.976 4.934 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.446 -3.687 4.626 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.958 -3.586 3.992 1.00 0.00 C ATOM 0 H VAL A 101 -2.277 -1.137 6.510 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.627 -4.079 6.600 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.762 -1.909 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.674 -3.589 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.243 -3.230 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.366 -4.743 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.609 -3.525 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.124 -4.630 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.892 -3.033 4.091 1.00 0.00 H new ATOM 1579 N THR A 102 0.092 -3.501 8.377 1.00 0.00 N ATOM 1580 CA THR A 102 1.198 -3.267 9.348 1.00 0.00 C ATOM 1581 C THR A 102 2.422 -4.097 8.850 1.00 0.00 C ATOM 1582 O THR A 102 2.567 -5.272 9.201 1.00 0.00 O ATOM 1583 CB THR A 102 0.720 -3.624 10.789 1.00 0.00 C ATOM 1584 OG1 THR A 102 -0.466 -2.912 11.123 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.753 -3.307 11.879 1.00 0.00 C ATOM 0 H THR A 102 -0.397 -4.386 8.512 1.00 0.00 H new ATOM 0 HA THR A 102 1.499 -2.221 9.401 1.00 0.00 H new ATOM 0 HB THR A 102 0.552 -4.701 10.765 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.748 -3.153 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.350 -3.582 12.854 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.666 -3.873 11.691 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.978 -2.241 11.868 1.00 0.00 H new ATOM 1593 N GLU A 103 3.283 -3.474 8.020 1.00 0.00 N ATOM 1594 CA GLU A 103 4.492 -4.131 7.455 1.00 0.00 C ATOM 1595 C GLU A 103 5.734 -3.667 8.260 1.00 0.00 C ATOM 1596 O GLU A 103 6.019 -2.469 8.346 1.00 0.00 O ATOM 1597 CB GLU A 103 4.623 -3.783 5.948 1.00 0.00 C ATOM 1598 CG GLU A 103 5.753 -4.545 5.214 1.00 0.00 C ATOM 1599 CD GLU A 103 5.856 -4.162 3.737 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.489 -3.129 3.423 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.305 -4.886 2.879 1.00 0.00 O ATOM 0 H GLU A 103 3.166 -2.506 7.720 1.00 0.00 H new ATOM 0 HA GLU A 103 4.411 -5.215 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.675 -3.998 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.799 -2.712 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.704 -4.340 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.576 -5.617 5.296 1.00 0.00 H new ATOM 1608 N LEU A 104 6.497 -4.636 8.790 1.00 0.00 N ATOM 1609 CA LEU A 104 7.781 -4.364 9.486 1.00 0.00 C ATOM 1610 C LEU A 104 8.915 -4.299 8.424 1.00 0.00 C ATOM 1611 O LEU A 104 9.222 -5.305 7.776 1.00 0.00 O ATOM 1612 CB LEU A 104 8.019 -5.456 10.567 1.00 0.00 C ATOM 1613 CG LEU A 104 8.849 -5.056 11.815 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.789 -6.189 12.857 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.317 -4.704 11.520 1.00 0.00 C ATOM 0 H LEU A 104 6.251 -5.625 8.753 1.00 0.00 H new ATOM 0 HA LEU A 104 7.761 -3.405 10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.046 -5.809 10.909 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.515 -6.301 10.089 1.00 0.00 H new ATOM 0 HG LEU A 104 8.394 -4.142 12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.372 -5.908 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.753 -6.360 13.150 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.199 -7.102 12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.821 -4.437 12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.814 -5.564 11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.357 -3.861 10.830 1.00 0.00 H new ATOM 1627 N ASN A 105 9.510 -3.105 8.250 1.00 0.00 N ATOM 1628 CA ASN A 105 10.587 -2.878 7.247 1.00 0.00 C ATOM 1629 C ASN A 105 11.967 -2.824 7.968 1.00 0.00 C ATOM 1630 O ASN A 105 12.539 -1.746 8.169 1.00 0.00 O ATOM 1631 CB ASN A 105 10.297 -1.601 6.406 1.00 0.00 C ATOM 1632 CG ASN A 105 9.092 -1.686 5.448 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.217 -2.089 4.293 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.912 -1.306 5.912 1.00 0.00 N ATOM 0 H ASN A 105 9.267 -2.274 8.790 1.00 0.00 H new ATOM 0 HA ASN A 105 10.615 -3.709 6.542 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.135 -0.768 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.186 -1.365 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.090 -1.345 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.824 -0.974 6.873 1.00 0.00 H new ATOM 1641 N GLY A 106 12.487 -4.005 8.361 1.00 0.00 N ATOM 1642 CA GLY A 106 13.784 -4.117 9.072 1.00 0.00 C ATOM 1643 C GLY A 106 13.648 -3.915 10.593 1.00 0.00 C ATOM 1644 O GLY A 106 13.528 -4.883 11.349 1.00 0.00 O ATOM 0 H GLY A 106 12.028 -4.901 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.217 -5.098 8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.478 -3.378 8.672 1.00 0.00 H new ATOM 1648 N ASP A 107 13.640 -2.640 11.004 1.00 0.00 N ATOM 1649 CA ASP A 107 13.195 -2.207 12.362 1.00 0.00 C ATOM 1650 C ASP A 107 11.962 -1.244 12.325 1.00 0.00 C ATOM 1651 O ASP A 107 11.134 -1.297 13.239 1.00 0.00 O ATOM 1652 CB ASP A 107 14.353 -1.549 13.159 1.00 0.00 C ATOM 1653 CG ASP A 107 15.579 -2.436 13.437 1.00 0.00 C ATOM 1654 OD1 ASP A 107 15.408 -3.580 13.915 1.00 0.00 O ATOM 1655 OD2 ASP A 107 16.718 -1.987 13.184 1.00 0.00 O ATOM 0 H ASP A 107 13.941 -1.866 10.411 1.00 0.00 H new ATOM 0 HA ASP A 107 12.883 -3.118 12.872 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.686 -0.666 12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.958 -1.203 14.114 1.00 0.00 H new ATOM 1660 N ILE A 108 11.850 -0.357 11.306 1.00 0.00 N ATOM 1661 CA ILE A 108 10.820 0.712 11.232 1.00 0.00 C ATOM 1662 C ILE A 108 9.496 0.079 10.709 1.00 0.00 C ATOM 1663 O ILE A 108 9.425 -0.380 9.565 1.00 0.00 O ATOM 1664 CB ILE A 108 11.307 1.914 10.341 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.665 2.553 10.775 1.00 0.00 C ATOM 1666 CG2 ILE A 108 10.245 3.040 10.284 1.00 0.00 C ATOM 1667 CD1 ILE A 108 13.921 1.941 10.132 1.00 0.00 C ATOM 0 H ILE A 108 12.479 -0.363 10.503 1.00 0.00 H new ATOM 0 HA ILE A 108 10.643 1.132 12.222 1.00 0.00 H new ATOM 0 HB ILE A 108 11.460 1.462 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 108 12.638 3.617 10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.756 2.470 11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.612 3.855 9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.321 2.647 9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.054 3.411 11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 108 14.807 2.457 10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.983 0.884 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 108 13.864 2.048 9.049 1.00 0.00 H new ATOM 1679 N ILE A 109 8.456 0.095 11.556 1.00 0.00 N ATOM 1680 CA ILE A 109 7.138 -0.520 11.250 1.00 0.00 C ATOM 1681 C ILE A 109 6.179 0.558 10.658 1.00 0.00 C ATOM 1682 O ILE A 109 5.944 1.607 11.268 1.00 0.00 O ATOM 1683 CB ILE A 109 6.614 -1.285 12.511 1.00 0.00 C ATOM 1684 CG1 ILE A 109 5.505 -2.309 12.158 1.00 0.00 C ATOM 1685 CG2 ILE A 109 6.177 -0.365 13.678 1.00 0.00 C ATOM 1686 CD1 ILE A 109 5.172 -3.258 13.312 1.00 0.00 C ATOM 0 H ILE A 109 8.496 0.533 12.476 1.00 0.00 H new ATOM 0 HA ILE A 109 7.215 -1.279 10.472 1.00 0.00 H new ATOM 0 HB ILE A 109 7.480 -1.837 12.877 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.603 -1.772 11.866 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.821 -2.894 11.294 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.828 -0.975 14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 109 7.024 0.240 14.001 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.371 0.289 13.344 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.389 -3.949 13.000 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.063 -3.821 13.589 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.826 -2.681 14.170 1.00 0.00 H new ATOM 1698 N THR A 110 5.650 0.282 9.457 1.00 0.00 N ATOM 1699 CA THR A 110 4.849 1.255 8.672 1.00 0.00 C ATOM 1700 C THR A 110 3.387 0.717 8.612 1.00 0.00 C ATOM 1701 O THR A 110 3.107 -0.273 7.927 1.00 0.00 O ATOM 1702 CB THR A 110 5.493 1.439 7.266 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.863 1.821 7.388 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.814 2.521 6.413 1.00 0.00 C ATOM 0 H THR A 110 5.761 -0.621 8.995 1.00 0.00 H new ATOM 0 HA THR A 110 4.832 2.242 9.134 1.00 0.00 H new ATOM 0 HB THR A 110 5.375 0.473 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.253 1.931 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.316 2.592 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.767 2.259 6.258 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.876 3.481 6.926 1.00 0.00 H new ATOM 1712 N ASN A 111 2.471 1.400 9.321 1.00 0.00 N ATOM 1713 CA ASN A 111 1.023 1.059 9.339 1.00 0.00 C ATOM 1714 C ASN A 111 0.269 2.052 8.410 1.00 0.00 C ATOM 1715 O ASN A 111 -0.035 3.186 8.788 1.00 0.00 O ATOM 1716 CB ASN A 111 0.555 0.997 10.822 1.00 0.00 C ATOM 1717 CG ASN A 111 -0.963 1.014 11.090 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.531 2.047 11.444 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.643 -0.105 10.923 1.00 0.00 N ATOM 0 H ASN A 111 2.706 2.206 9.901 1.00 0.00 H new ATOM 0 HA ASN A 111 0.800 0.073 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.965 0.090 11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.999 1.840 11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.650 -0.120 11.088 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.162 -0.955 10.629 1.00 0.00 H new ATOM 1726 N THR A 112 -0.030 1.573 7.190 1.00 0.00 N ATOM 1727 CA THR A 112 -0.635 2.391 6.110 1.00 0.00 C ATOM 1728 C THR A 112 -2.164 2.103 6.086 1.00 0.00 C ATOM 1729 O THR A 112 -2.586 1.017 5.674 1.00 0.00 O ATOM 1730 CB THR A 112 0.086 2.054 4.770 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.489 2.274 4.887 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.393 2.906 3.589 1.00 0.00 C ATOM 0 H THR A 112 0.140 0.605 6.919 1.00 0.00 H new ATOM 0 HA THR A 112 -0.509 3.461 6.275 1.00 0.00 H new ATOM 0 HB THR A 112 -0.151 1.008 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.926 2.056 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.151 2.619 2.689 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.460 2.747 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.210 3.959 3.802 1.00 0.00 H new ATOM 1740 N MET A 113 -2.969 3.090 6.522 1.00 0.00 N ATOM 1741 CA MET A 113 -4.451 2.974 6.566 1.00 0.00 C ATOM 1742 C MET A 113 -5.069 3.869 5.463 1.00 0.00 C ATOM 1743 O MET A 113 -5.141 5.095 5.601 1.00 0.00 O ATOM 1744 CB MET A 113 -5.004 3.332 7.967 1.00 0.00 C ATOM 1745 CG MET A 113 -4.710 2.311 9.065 1.00 0.00 C ATOM 1746 SD MET A 113 -5.892 2.587 10.397 1.00 0.00 S ATOM 1747 CE MET A 113 -4.779 2.629 11.797 1.00 0.00 C ATOM 0 H MET A 113 -2.619 3.989 6.854 1.00 0.00 H new ATOM 0 HA MET A 113 -4.732 1.938 6.375 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.590 4.294 8.268 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.084 3.459 7.892 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.800 1.296 8.678 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.689 2.424 9.430 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.350 2.793 12.711 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.247 1.680 11.867 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.061 3.439 11.667 1.00 0.00 H new ATOM 1757 N THR A 114 -5.533 3.226 4.376 1.00 0.00 N ATOM 1758 CA THR A 114 -6.199 3.920 3.242 1.00 0.00 C ATOM 1759 C THR A 114 -7.734 3.898 3.499 1.00 0.00 C ATOM 1760 O THR A 114 -8.357 2.832 3.547 1.00 0.00 O ATOM 1761 CB THR A 114 -5.794 3.266 1.891 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.374 3.267 1.748 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.370 3.973 0.648 1.00 0.00 C ATOM 0 H THR A 114 -5.461 2.216 4.252 1.00 0.00 H new ATOM 0 HA THR A 114 -5.879 4.960 3.174 1.00 0.00 H new ATOM 0 HB THR A 114 -6.207 2.258 1.934 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.131 2.851 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.040 3.454 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.459 3.961 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.019 5.005 0.621 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.327 5.097 3.631 1.00 0.00 N ATOM 1772 CA LEU A 115 -9.790 5.271 3.847 1.00 0.00 C ATOM 1773 C LEU A 115 -10.516 5.192 2.469 1.00 0.00 C ATOM 1774 O LEU A 115 -10.772 4.080 1.997 1.00 0.00 O ATOM 1775 CB LEU A 115 -9.989 6.547 4.723 1.00 0.00 C ATOM 1776 CG LEU A 115 -11.438 6.946 5.115 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.185 5.865 5.915 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -11.420 8.265 5.907 1.00 0.00 C ATOM 0 H LEU A 115 -7.814 5.978 3.592 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.267 4.475 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.420 6.412 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.543 7.389 4.193 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.986 7.068 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.189 6.216 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.250 4.953 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.645 5.658 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -12.439 8.540 6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.824 8.138 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.984 9.052 5.292 1.00 0.00 H new ATOM 1790 N GLY A 116 -10.785 6.334 1.811 1.00 0.00 N ATOM 1791 CA GLY A 116 -11.185 6.377 0.385 1.00 0.00 C ATOM 1792 C GLY A 116 -9.948 6.600 -0.503 1.00 0.00 C ATOM 1793 O GLY A 116 -9.453 5.654 -1.121 1.00 0.00 O ATOM 0 H GLY A 116 -10.733 7.254 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -11.678 5.445 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -11.907 7.178 0.225 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.436 7.844 -0.504 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.042 8.129 -0.948 1.00 0.00 C ATOM 1799 C ASP A 117 -7.358 9.103 0.068 1.00 0.00 C ATOM 1800 O ASP A 117 -6.920 10.201 -0.291 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.060 8.611 -2.428 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.683 8.644 -3.105 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -6.194 7.575 -3.533 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -6.083 9.737 -3.208 1.00 0.00 O ATOM 0 H ASP A 117 -9.956 8.669 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.424 7.231 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.717 7.957 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.493 9.611 -2.466 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.239 8.659 1.338 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.462 9.363 2.396 1.00 0.00 C ATOM 1811 C ILE A 118 -5.485 8.280 2.922 1.00 0.00 C ATOM 1812 O ILE A 118 -5.885 7.373 3.661 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.361 9.996 3.516 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.307 11.087 2.933 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.498 10.565 4.675 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.328 11.713 3.896 1.00 0.00 C ATOM 0 H ILE A 118 -7.679 7.799 1.665 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.935 10.234 2.007 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.985 9.201 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -7.690 11.888 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.854 10.650 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.149 10.997 5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.907 9.763 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.832 11.336 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.922 12.456 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.984 10.935 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.803 12.193 4.722 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.200 8.418 2.553 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.151 7.419 2.887 1.00 0.00 C ATOM 1830 C VAL A 119 -2.478 7.896 4.211 1.00 0.00 C ATOM 1831 O VAL A 119 -1.538 8.697 4.195 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.171 7.220 1.674 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.040 6.210 1.975 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.880 6.747 0.378 1.00 0.00 C ATOM 0 H VAL A 119 -3.854 9.215 2.019 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.559 6.423 3.060 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.754 8.215 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.396 6.114 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.452 6.564 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.474 5.239 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.144 6.630 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.372 5.792 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.623 7.486 0.079 1.00 0.00 H new ATOM 1844 N PHE A 120 -2.973 7.366 5.346 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.391 7.613 6.692 1.00 0.00 C ATOM 1846 C PHE A 120 -1.205 6.633 6.934 1.00 0.00 C ATOM 1847 O PHE A 120 -1.367 5.552 7.506 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.541 7.497 7.733 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.173 7.647 9.225 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.705 8.868 9.715 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.329 6.573 10.111 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.419 9.024 11.069 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -3.034 6.725 11.463 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.586 7.952 11.941 1.00 0.00 C ATOM 0 H PHE A 120 -3.788 6.753 5.362 1.00 0.00 H new ATOM 0 HA PHE A 120 -1.967 8.613 6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.288 8.254 7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.017 6.526 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.564 9.698 9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.681 5.621 9.743 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -2.068 9.975 11.442 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.153 5.892 12.140 1.00 0.00 H new ATOM 0 HZ PHE A 120 -2.367 8.073 12.992 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.010 7.059 6.496 1.00 0.00 N ATOM 1865 CA LYS A 121 1.248 6.290 6.649 1.00 0.00 C ATOM 1866 C LYS A 121 1.854 6.619 8.043 1.00 0.00 C ATOM 1867 O LYS A 121 2.283 7.749 8.299 1.00 0.00 O ATOM 1868 CB LYS A 121 2.181 6.650 5.461 1.00 0.00 C ATOM 1869 CG LYS A 121 3.472 5.813 5.359 1.00 0.00 C ATOM 1870 CD LYS A 121 4.414 6.313 4.246 1.00 0.00 C ATOM 1871 CE LYS A 121 5.707 5.483 4.142 1.00 0.00 C ATOM 1872 NZ LYS A 121 6.603 6.011 3.099 1.00 0.00 N ATOM 0 H LYS A 121 0.118 7.953 6.021 1.00 0.00 H new ATOM 0 HA LYS A 121 1.089 5.212 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.620 6.537 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.455 7.702 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.996 5.842 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.212 4.772 5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 121 3.890 6.282 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.671 7.355 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.222 5.488 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.458 4.446 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.464 5.430 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.119 5.983 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.859 6.993 3.326 1.00 0.00 H new ATOM 1886 N ARG A 122 1.843 5.619 8.935 1.00 0.00 N ATOM 1887 CA ARG A 122 2.226 5.789 10.356 1.00 0.00 C ATOM 1888 C ARG A 122 3.630 5.158 10.566 1.00 0.00 C ATOM 1889 O ARG A 122 3.767 3.951 10.791 1.00 0.00 O ATOM 1890 CB ARG A 122 1.098 5.144 11.207 1.00 0.00 C ATOM 1891 CG ARG A 122 1.185 5.478 12.705 1.00 0.00 C ATOM 1892 CD ARG A 122 0.139 4.786 13.603 1.00 0.00 C ATOM 1893 NE ARG A 122 0.449 3.353 13.840 1.00 0.00 N ATOM 1894 CZ ARG A 122 1.258 2.887 14.814 1.00 0.00 C ATOM 1895 NH1 ARG A 122 1.838 3.659 15.729 1.00 0.00 N ATOM 1896 NH2 ARG A 122 1.491 1.588 14.862 1.00 0.00 N ATOM 0 H ARG A 122 1.569 4.666 8.698 1.00 0.00 H new ATOM 0 HA ARG A 122 2.316 6.831 10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.132 5.476 10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.135 4.062 11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.179 5.209 13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.084 6.557 12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.086 5.306 14.560 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -0.844 4.870 13.140 1.00 0.00 H new ATOM 0 HE ARG A 122 0.017 2.669 13.219 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.681 4.667 15.720 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.440 3.243 16.440 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.064 0.967 14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.098 1.205 15.587 1.00 0.00 H new ATOM 1910 N ILE A 123 4.670 6.009 10.484 1.00 0.00 N ATOM 1911 CA ILE A 123 6.096 5.580 10.545 1.00 0.00 C ATOM 1912 C ILE A 123 6.488 5.473 12.052 1.00 0.00 C ATOM 1913 O ILE A 123 6.377 6.461 12.784 1.00 0.00 O ATOM 1914 CB ILE A 123 7.021 6.567 9.733 1.00 0.00 C ATOM 1915 CG1 ILE A 123 6.611 6.782 8.236 1.00 0.00 C ATOM 1916 CG2 ILE A 123 8.502 6.115 9.756 1.00 0.00 C ATOM 1917 CD1 ILE A 123 5.716 8.005 7.981 1.00 0.00 C ATOM 0 H ILE A 123 4.554 7.016 10.373 1.00 0.00 H new ATOM 0 HA ILE A 123 6.233 4.607 10.073 1.00 0.00 H new ATOM 0 HB ILE A 123 6.889 7.517 10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.516 6.881 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 123 6.092 5.890 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.107 6.820 9.186 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.857 6.083 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 123 8.587 5.123 9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.485 8.071 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.791 7.903 8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.237 8.909 8.296 1.00 0.00 H new ATOM 1929 N SER A 124 6.933 4.279 12.493 1.00 0.00 N ATOM 1930 CA SER A 124 7.262 4.012 13.923 1.00 0.00 C ATOM 1931 C SER A 124 8.665 3.354 14.032 1.00 0.00 C ATOM 1932 O SER A 124 8.834 2.153 13.803 1.00 0.00 O ATOM 1933 CB SER A 124 6.138 3.163 14.568 1.00 0.00 C ATOM 1934 OG SER A 124 4.990 3.958 14.837 1.00 0.00 O ATOM 0 H SER A 124 7.076 3.475 11.882 1.00 0.00 H new ATOM 0 HA SER A 124 7.313 4.947 14.480 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.869 2.343 13.902 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.500 2.716 15.494 1.00 0.00 H new ATOM 0 HG SER A 124 4.358 3.445 15.383 1.00 0.00 H new ATOM 1940 N LYS A 125 9.669 4.172 14.402 1.00 0.00 N ATOM 1941 CA LYS A 125 11.087 3.749 14.567 1.00 0.00 C ATOM 1942 C LYS A 125 11.326 3.297 16.040 1.00 0.00 C ATOM 1943 O LYS A 125 10.991 4.024 16.981 1.00 0.00 O ATOM 1944 CB LYS A 125 11.962 4.966 14.144 1.00 0.00 C ATOM 1945 CG LYS A 125 13.485 4.756 13.948 1.00 0.00 C ATOM 1946 CD LYS A 125 14.402 4.686 15.189 1.00 0.00 C ATOM 1947 CE LYS A 125 14.571 5.971 16.026 1.00 0.00 C ATOM 1948 NZ LYS A 125 13.450 6.237 16.946 1.00 0.00 N ATOM 0 H LYS A 125 9.523 5.162 14.599 1.00 0.00 H new ATOM 0 HA LYS A 125 11.349 2.892 13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.559 5.354 13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.830 5.745 14.895 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.619 3.830 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.849 5.566 13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.019 3.905 15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.391 4.368 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 125 15.493 5.898 16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.684 6.820 15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.986 7.129 16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.762 5.459 16.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.810 6.311 17.919 1.00 0.00 H new ATOM 1962 N ARG A 126 11.919 2.101 16.232 1.00 0.00 N ATOM 1963 CA ARG A 126 12.073 1.482 17.583 1.00 0.00 C ATOM 1964 C ARG A 126 13.026 2.231 18.573 1.00 0.00 C ATOM 1965 O ARG A 126 13.932 2.960 18.159 1.00 0.00 O ATOM 1966 CB ARG A 126 12.435 -0.026 17.438 1.00 0.00 C ATOM 1967 CG ARG A 126 13.896 -0.348 17.043 1.00 0.00 C ATOM 1968 CD ARG A 126 14.249 -1.843 17.140 1.00 0.00 C ATOM 1969 NE ARG A 126 15.707 -2.016 16.938 1.00 0.00 N ATOM 1970 CZ ARG A 126 16.373 -3.175 17.096 1.00 0.00 C ATOM 1971 NH1 ARG A 126 15.795 -4.324 17.438 1.00 0.00 N ATOM 1972 NH2 ARG A 126 17.679 -3.168 16.899 1.00 0.00 N ATOM 0 H ARG A 126 12.302 1.537 15.474 1.00 0.00 H new ATOM 0 HA ARG A 126 11.100 1.581 18.064 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.220 -0.522 18.385 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.774 -0.466 16.691 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.070 -0.008 16.022 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.570 0.218 17.686 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.956 -2.235 18.114 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.697 -2.408 16.389 1.00 0.00 H new ATOM 0 HE ARG A 126 16.246 -1.196 16.659 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.788 -4.361 17.597 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.359 -5.168 17.541 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.150 -2.303 16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.216 -4.028 17.010 1.00 0.00 H new ATOM 1986 N ILE A 127 12.843 1.975 19.883 1.00 0.00 N ATOM 1987 CA ILE A 127 13.821 2.371 20.933 1.00 0.00 C ATOM 1988 C ILE A 127 14.350 1.030 21.474 1.00 0.00 C ATOM 1989 O ILE A 127 15.377 0.523 21.020 1.00 0.00 O ATOM 1990 CB ILE A 127 13.197 3.278 22.050 1.00 0.00 C ATOM 1991 CG1 ILE A 127 12.474 4.557 21.530 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.212 3.663 23.157 1.00 0.00 C ATOM 1993 CD1 ILE A 127 13.307 5.586 20.749 1.00 0.00 C ATOM 0 H ILE A 127 12.022 1.492 20.248 1.00 0.00 H new ATOM 0 HA ILE A 127 14.618 2.997 20.532 1.00 0.00 H new ATOM 0 HB ILE A 127 12.429 2.638 22.483 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.650 4.239 20.891 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.034 5.065 22.388 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.720 4.291 23.900 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.587 2.759 23.637 1.00 0.00 H new ATOM 0 HG23 ILE A 127 15.044 4.210 22.714 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.670 6.420 20.452 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.116 5.954 21.380 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.726 5.115 19.860 1.00 0.00 H new