USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 798 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 Single : A 1 GLY N :NH3+ -120:sc= 0.093 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.52! C(o=-1.5!,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.17) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -1.84 F(o=-3.8!,f=-1.8) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.0921 F(o=-1,f=0.092) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -1.74! C(o=-1.7!,f=-4!) USER MOD Single : A 82 GLN : amide:sc= -0.318 K(o=-0.32,f=-3.5!) USER MOD Single : A 84 SER OG : rot 108:sc= 1.23 USER MOD Single : A 91 SER OG : rot -117:sc= 1.48 USER MOD Single : A 92 CYS SG : rot -141:sc= -1.43 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.23) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.162 10.510 24.737 1.00 0.00 N ATOM 2 CA GLY A 1 -17.946 9.692 23.558 1.00 0.00 C ATOM 3 C GLY A 1 -17.857 10.516 22.289 1.00 0.00 C ATOM 4 O GLY A 1 -18.030 11.734 22.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.375 10.374 25.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.212 11.511 24.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.054 10.232 25.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.027 9.119 23.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.760 8.973 23.464 1.00 0.00 H new ATOM 8 N SER A 2 -17.586 9.850 21.171 1.00 0.00 N ATOM 9 CA SER A 2 -17.469 10.530 19.886 1.00 0.00 C ATOM 10 C SER A 2 -18.579 10.091 18.936 1.00 0.00 C ATOM 11 O SER A 2 -18.554 8.980 18.407 1.00 0.00 O ATOM 12 CB SER A 2 -16.103 10.247 19.258 1.00 0.00 C ATOM 13 OG SER A 2 -16.016 10.799 17.956 1.00 0.00 O ATOM 0 H SER A 2 -17.443 8.841 21.129 1.00 0.00 H new ATOM 0 HA SER A 2 -17.566 11.602 20.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.317 10.665 19.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.936 9.171 19.212 1.00 0.00 H new ATOM 0 HG SER A 2 -15.133 10.606 17.577 1.00 0.00 H new ATOM 19 N SER A 3 -19.552 10.971 18.725 1.00 0.00 N ATOM 20 CA SER A 3 -20.673 10.674 17.842 1.00 0.00 C ATOM 21 C SER A 3 -20.261 10.800 16.379 1.00 0.00 C ATOM 22 O SER A 3 -19.158 11.248 16.069 1.00 0.00 O ATOM 23 CB SER A 3 -21.844 11.614 18.136 1.00 0.00 C ATOM 24 OG SER A 3 -22.465 11.287 19.367 1.00 0.00 O ATOM 0 H SER A 3 -19.587 11.896 19.154 1.00 0.00 H new ATOM 0 HA SER A 3 -20.986 9.646 18.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.488 12.644 18.167 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.574 11.553 17.329 1.00 0.00 H new ATOM 0 HG SER A 3 -23.209 11.903 19.532 1.00 0.00 H new ATOM 30 N GLY A 4 -21.157 10.400 15.481 1.00 0.00 N ATOM 31 CA GLY A 4 -20.869 10.475 14.061 1.00 0.00 C ATOM 32 C GLY A 4 -20.176 9.230 13.543 1.00 0.00 C ATOM 33 O GLY A 4 -20.450 8.122 14.004 1.00 0.00 O ATOM 0 H GLY A 4 -22.077 10.025 15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.799 10.624 13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.241 11.344 13.866 1.00 0.00 H new ATOM 37 N SER A 5 -19.277 9.411 12.581 1.00 0.00 N ATOM 38 CA SER A 5 -18.548 8.293 11.996 1.00 0.00 C ATOM 39 C SER A 5 -19.485 7.390 11.199 1.00 0.00 C ATOM 40 O SER A 5 -19.404 6.165 11.282 1.00 0.00 O ATOM 41 CB SER A 5 -17.850 7.483 13.091 1.00 0.00 C ATOM 42 OG SER A 5 -16.747 6.763 12.568 1.00 0.00 O ATOM 0 H SER A 5 -19.036 10.322 12.190 1.00 0.00 H new ATOM 0 HA SER A 5 -17.797 8.697 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.510 8.152 13.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.559 6.790 13.543 1.00 0.00 H new ATOM 0 HG SER A 5 -16.317 6.255 13.287 1.00 0.00 H new ATOM 48 N SER A 6 -20.374 8.006 10.426 1.00 0.00 N ATOM 49 CA SER A 6 -21.330 7.260 9.617 1.00 0.00 C ATOM 50 C SER A 6 -20.625 6.535 8.474 1.00 0.00 C ATOM 51 O SER A 6 -19.492 6.861 8.122 1.00 0.00 O ATOM 52 CB SER A 6 -22.400 8.199 9.057 1.00 0.00 C ATOM 53 OG SER A 6 -21.832 9.146 8.167 1.00 0.00 O ATOM 0 H SER A 6 -20.452 9.020 10.343 1.00 0.00 H new ATOM 0 HA SER A 6 -21.808 6.517 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.162 7.618 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.898 8.718 9.876 1.00 0.00 H new ATOM 0 HG SER A 6 -22.536 9.733 7.821 1.00 0.00 H new ATOM 59 N GLY A 7 -21.305 5.548 7.899 1.00 0.00 N ATOM 60 CA GLY A 7 -20.730 4.791 6.802 1.00 0.00 C ATOM 61 C GLY A 7 -19.578 3.911 7.247 1.00 0.00 C ATOM 62 O GLY A 7 -18.507 4.406 7.597 1.00 0.00 O ATOM 0 H GLY A 7 -22.244 5.259 8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.503 4.171 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.381 5.480 6.033 1.00 0.00 H new ATOM 66 N THR A 8 -19.799 2.600 7.235 1.00 0.00 N ATOM 67 CA THR A 8 -18.773 1.648 7.642 1.00 0.00 C ATOM 68 C THR A 8 -18.886 0.348 6.856 1.00 0.00 C ATOM 69 O THR A 8 -19.954 0.009 6.349 1.00 0.00 O ATOM 70 CB THR A 8 -18.864 1.334 9.148 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.183 0.883 9.475 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.522 2.562 9.978 1.00 0.00 C ATOM 0 H THR A 8 -20.680 2.173 6.948 1.00 0.00 H new ATOM 0 HA THR A 8 -17.810 2.113 7.433 1.00 0.00 H new ATOM 0 HB THR A 8 -18.144 0.548 9.377 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.232 0.684 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.593 2.316 11.038 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.507 2.886 9.748 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.221 3.365 9.744 1.00 0.00 H new ATOM 80 N ALA A 9 -17.776 -0.378 6.759 1.00 0.00 N ATOM 81 CA ALA A 9 -17.752 -1.644 6.036 1.00 0.00 C ATOM 82 C ALA A 9 -17.030 -2.720 6.839 1.00 0.00 C ATOM 83 O ALA A 9 -16.472 -2.446 7.901 1.00 0.00 O ATOM 84 CB ALA A 9 -17.091 -1.463 4.677 1.00 0.00 C ATOM 0 H ALA A 9 -16.882 -0.111 7.172 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.782 -1.969 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.080 -2.416 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.651 -0.731 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.068 -1.112 4.814 1.00 0.00 H new ATOM 90 N ARG A 10 -17.045 -3.946 6.324 1.00 0.00 N ATOM 91 CA ARG A 10 -16.393 -5.064 6.995 1.00 0.00 C ATOM 92 C ARG A 10 -15.277 -5.641 6.129 1.00 0.00 C ATOM 93 O ARG A 10 -15.122 -5.267 4.965 1.00 0.00 O ATOM 94 CB ARG A 10 -17.414 -6.155 7.323 1.00 0.00 C ATOM 95 CG ARG A 10 -18.188 -5.899 8.605 1.00 0.00 C ATOM 96 CD ARG A 10 -19.031 -7.102 8.997 1.00 0.00 C ATOM 97 NE ARG A 10 -20.086 -7.372 8.024 1.00 0.00 N ATOM 98 CZ ARG A 10 -21.124 -8.164 8.267 1.00 0.00 C ATOM 99 NH1 ARG A 10 -21.247 -8.761 9.444 1.00 0.00 N ATOM 100 NH2 ARG A 10 -22.043 -8.360 7.330 1.00 0.00 N ATOM 0 H ARG A 10 -17.501 -4.189 5.445 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.956 -4.694 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.118 -6.243 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.897 -7.111 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.492 -5.663 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.832 -5.029 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.390 -7.979 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.477 -6.928 9.976 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.022 -6.928 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.543 -8.613 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.046 -9.369 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.952 -7.902 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.840 -8.968 7.517 1.00 0.00 H new ATOM 114 N LEU A 11 -14.501 -6.553 6.704 1.00 0.00 N ATOM 115 CA LEU A 11 -13.398 -7.182 5.985 1.00 0.00 C ATOM 116 C LEU A 11 -13.734 -8.626 5.628 1.00 0.00 C ATOM 117 O LEU A 11 -14.358 -9.342 6.412 1.00 0.00 O ATOM 118 CB LEU A 11 -12.123 -7.137 6.828 1.00 0.00 C ATOM 119 CG LEU A 11 -10.863 -7.703 6.171 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.421 -6.820 5.015 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.746 -7.845 7.194 1.00 0.00 C ATOM 0 H LEU A 11 -14.615 -6.874 7.666 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.235 -6.627 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.930 -6.100 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.303 -7.685 7.753 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.095 -8.692 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.523 -7.239 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.216 -6.770 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.207 -5.817 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.857 -8.249 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.515 -6.868 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.064 -8.520 7.989 1.00 0.00 H new ATOM 133 N VAL A 12 -13.315 -9.050 4.440 1.00 0.00 N ATOM 134 CA VAL A 12 -13.568 -10.410 3.979 1.00 0.00 C ATOM 135 C VAL A 12 -12.265 -11.132 3.657 1.00 0.00 C ATOM 136 O VAL A 12 -12.117 -12.321 3.937 1.00 0.00 O ATOM 137 CB VAL A 12 -14.471 -10.421 2.732 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.933 -10.545 3.132 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.242 -9.170 1.898 1.00 0.00 C ATOM 0 H VAL A 12 -12.798 -8.470 3.779 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.077 -10.930 4.791 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.211 -11.288 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.556 -10.551 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.082 -11.473 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.211 -9.700 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.888 -9.194 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.473 -8.288 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.200 -9.130 1.580 1.00 0.00 H new ATOM 149 N ALA A 13 -11.322 -10.405 3.066 1.00 0.00 N ATOM 150 CA ALA A 13 -10.030 -10.976 2.707 1.00 0.00 C ATOM 151 C ALA A 13 -8.890 -10.043 3.100 1.00 0.00 C ATOM 152 O ALA A 13 -8.323 -9.349 2.256 1.00 0.00 O ATOM 153 CB ALA A 13 -9.981 -11.274 1.215 1.00 0.00 C ATOM 0 H ALA A 13 -11.429 -9.419 2.826 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.907 -11.909 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.010 -11.700 0.961 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.767 -11.984 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.130 -10.351 0.655 1.00 0.00 H new ATOM 159 N GLY A 14 -8.558 -10.031 4.387 1.00 0.00 N ATOM 160 CA GLY A 14 -7.486 -9.179 4.869 1.00 0.00 C ATOM 161 C GLY A 14 -6.215 -9.331 4.059 1.00 0.00 C ATOM 162 O GLY A 14 -5.955 -10.393 3.491 1.00 0.00 O ATOM 0 H GLY A 14 -9.012 -10.596 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.811 -8.139 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.279 -9.417 5.912 1.00 0.00 H new ATOM 166 N LEU A 15 -5.420 -8.268 4.003 1.00 0.00 N ATOM 167 CA LEU A 15 -4.168 -8.287 3.254 1.00 0.00 C ATOM 168 C LEU A 15 -3.409 -9.588 3.496 1.00 0.00 C ATOM 169 O LEU A 15 -3.631 -10.270 4.495 1.00 0.00 O ATOM 170 CB LEU A 15 -3.297 -7.094 3.648 1.00 0.00 C ATOM 171 CG LEU A 15 -3.927 -5.713 3.463 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.378 -4.734 4.489 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.683 -5.200 2.051 1.00 0.00 C ATOM 0 H LEU A 15 -5.620 -7.382 4.467 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.407 -8.219 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.015 -7.205 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.377 -7.133 3.065 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.003 -5.803 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.838 -3.757 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.604 -5.094 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.298 -4.649 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.138 -4.216 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.611 -5.126 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.125 -5.890 1.332 1.00 0.00 H new ATOM 185 N GLU A 16 -2.510 -9.923 2.575 1.00 0.00 N ATOM 186 CA GLU A 16 -1.717 -11.141 2.691 1.00 0.00 C ATOM 187 C GLU A 16 -0.225 -10.824 2.657 1.00 0.00 C ATOM 188 O GLU A 16 0.250 -10.114 1.769 1.00 0.00 O ATOM 189 CB GLU A 16 -2.068 -12.114 1.563 1.00 0.00 C ATOM 190 CG GLU A 16 -3.531 -12.525 1.548 1.00 0.00 C ATOM 191 CD GLU A 16 -3.881 -13.390 0.353 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.526 -14.588 0.364 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.510 -12.871 -0.592 1.00 0.00 O ATOM 0 H GLU A 16 -2.313 -9.369 1.742 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.951 -11.606 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.819 -11.654 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.449 -13.006 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.762 -13.068 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.156 -11.632 1.541 1.00 0.00 H new ATOM 200 N ASP A 17 0.509 -11.353 3.629 1.00 0.00 N ATOM 201 CA ASP A 17 1.947 -11.128 3.711 1.00 0.00 C ATOM 202 C ASP A 17 2.587 -11.186 2.328 1.00 0.00 C ATOM 203 O ASP A 17 2.447 -12.176 1.609 1.00 0.00 O ATOM 204 CB ASP A 17 2.596 -12.164 4.630 1.00 0.00 C ATOM 205 CG ASP A 17 1.918 -13.518 4.546 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.126 -14.222 3.536 1.00 0.00 O ATOM 207 OD2 ASP A 17 1.180 -13.872 5.488 1.00 0.00 O ATOM 0 H ASP A 17 0.132 -11.941 4.372 1.00 0.00 H new ATOM 0 HA ASP A 17 2.110 -10.133 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.648 -12.271 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.560 -11.806 5.659 1.00 0.00 H new ATOM 212 N VAL A 18 3.288 -10.118 1.960 1.00 0.00 N ATOM 213 CA VAL A 18 3.948 -10.047 0.662 1.00 0.00 C ATOM 214 C VAL A 18 5.443 -9.793 0.819 1.00 0.00 C ATOM 215 O VAL A 18 5.854 -8.837 1.477 1.00 0.00 O ATOM 216 CB VAL A 18 3.340 -8.939 -0.218 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.139 -8.778 -1.502 1.00 0.00 C ATOM 218 CG2 VAL A 18 1.881 -9.241 -0.522 1.00 0.00 C ATOM 0 H VAL A 18 3.413 -9.290 2.543 1.00 0.00 H new ATOM 0 HA VAL A 18 3.795 -11.011 0.176 1.00 0.00 H new ATOM 0 HB VAL A 18 3.386 -7.998 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.694 -7.991 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.168 -8.512 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.128 -9.716 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.467 -8.448 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.809 -10.192 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.320 -9.300 0.411 1.00 0.00 H new ATOM 228 N GLN A 19 6.252 -10.655 0.212 1.00 0.00 N ATOM 229 CA GLN A 19 7.702 -10.524 0.285 1.00 0.00 C ATOM 230 C GLN A 19 8.328 -10.613 -1.103 1.00 0.00 C ATOM 231 O GLN A 19 8.090 -11.568 -1.842 1.00 0.00 O ATOM 232 CB GLN A 19 8.289 -11.607 1.192 1.00 0.00 C ATOM 233 CG GLN A 19 8.492 -12.941 0.494 1.00 0.00 C ATOM 234 CD GLN A 19 9.014 -14.015 1.428 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.548 -14.150 2.560 1.00 0.00 O ATOM 236 NE2 GLN A 19 9.987 -14.787 0.957 1.00 0.00 N ATOM 0 H GLN A 19 5.928 -11.452 -0.336 1.00 0.00 H new ATOM 0 HA GLN A 19 7.931 -9.545 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.246 -11.262 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.628 -11.751 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.546 -13.269 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.191 -12.812 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.343 -14.640 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.378 -15.527 1.540 1.00 0.00 H new ATOM 245 N VAL A 20 9.129 -9.611 -1.451 1.00 0.00 N ATOM 246 CA VAL A 20 9.790 -9.577 -2.751 1.00 0.00 C ATOM 247 C VAL A 20 11.225 -9.078 -2.624 1.00 0.00 C ATOM 248 O VAL A 20 11.579 -8.413 -1.650 1.00 0.00 O ATOM 249 CB VAL A 20 9.030 -8.677 -3.743 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.613 -9.188 -3.951 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.020 -7.236 -3.255 1.00 0.00 C ATOM 0 H VAL A 20 9.336 -8.812 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 20 9.796 -10.599 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 20 9.546 -8.708 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.092 -8.539 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.647 -10.202 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.083 -9.189 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.479 -6.614 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.529 -7.184 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.045 -6.876 -3.164 1.00 0.00 H new ATOM 261 N TYR A 21 12.047 -9.402 -3.616 1.00 0.00 N ATOM 262 CA TYR A 21 13.445 -8.988 -3.615 1.00 0.00 C ATOM 263 C TYR A 21 13.580 -7.521 -4.015 1.00 0.00 C ATOM 264 O TYR A 21 12.676 -6.947 -4.622 1.00 0.00 O ATOM 265 CB TYR A 21 14.259 -9.864 -4.569 1.00 0.00 C ATOM 266 CG TYR A 21 14.760 -11.143 -3.937 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.886 -12.013 -3.297 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.107 -11.481 -3.979 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.339 -13.183 -2.717 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.568 -12.649 -3.403 1.00 0.00 C ATOM 271 CZ TYR A 21 15.681 -13.496 -2.774 1.00 0.00 C ATOM 272 OH TYR A 21 16.137 -14.660 -2.198 1.00 0.00 O ATOM 0 H TYR A 21 11.770 -9.950 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 21 13.831 -9.107 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.645 -10.112 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.111 -9.292 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.834 -11.771 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.805 -10.820 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.646 -13.848 -2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.618 -12.897 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 21 17.106 -14.731 -2.327 1.00 0.00 H new ATOM 282 N ASP A 22 14.714 -6.923 -3.671 1.00 0.00 N ATOM 283 CA ASP A 22 14.970 -5.524 -3.995 1.00 0.00 C ATOM 284 C ASP A 22 14.822 -5.277 -5.493 1.00 0.00 C ATOM 285 O ASP A 22 15.221 -6.105 -6.311 1.00 0.00 O ATOM 286 CB ASP A 22 16.371 -5.119 -3.534 1.00 0.00 C ATOM 287 CG ASP A 22 16.677 -3.663 -3.824 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.110 -3.362 -4.956 1.00 0.00 O ATOM 289 OD2 ASP A 22 16.485 -2.824 -2.918 1.00 0.00 O ATOM 0 H ASP A 22 15.472 -7.385 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 22 14.234 -4.915 -3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.465 -5.301 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.110 -5.748 -4.030 1.00 0.00 H new ATOM 294 N GLY A 23 14.245 -4.132 -5.845 1.00 0.00 N ATOM 295 CA GLY A 23 14.054 -3.798 -7.245 1.00 0.00 C ATOM 296 C GLY A 23 12.796 -4.416 -7.822 1.00 0.00 C ATOM 297 O GLY A 23 12.264 -3.935 -8.822 1.00 0.00 O ATOM 0 H GLY A 23 13.907 -3.430 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.006 -2.714 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.917 -4.137 -7.817 1.00 0.00 H new ATOM 301 N GLU A 24 12.321 -5.485 -7.192 1.00 0.00 N ATOM 302 CA GLU A 24 11.119 -6.171 -7.652 1.00 0.00 C ATOM 303 C GLU A 24 9.885 -5.296 -7.454 1.00 0.00 C ATOM 304 O GLU A 24 9.990 -4.136 -7.056 1.00 0.00 O ATOM 305 CB GLU A 24 10.944 -7.496 -6.906 1.00 0.00 C ATOM 306 CG GLU A 24 12.110 -8.453 -7.084 1.00 0.00 C ATOM 307 CD GLU A 24 12.468 -8.672 -8.541 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.573 -8.528 -9.400 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.643 -8.988 -8.822 1.00 0.00 O ATOM 0 H GLU A 24 12.750 -5.895 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 24 11.232 -6.375 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.812 -7.291 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.031 -7.980 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.979 -8.063 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.862 -9.411 -6.627 1.00 0.00 H new ATOM 316 N ASP A 25 8.715 -5.861 -7.735 1.00 0.00 N ATOM 317 CA ASP A 25 7.460 -5.134 -7.587 1.00 0.00 C ATOM 318 C ASP A 25 6.589 -5.767 -6.507 1.00 0.00 C ATOM 319 O ASP A 25 6.108 -6.889 -6.662 1.00 0.00 O ATOM 320 CB ASP A 25 6.704 -5.104 -8.917 1.00 0.00 C ATOM 321 CG ASP A 25 7.009 -6.310 -9.783 1.00 0.00 C ATOM 322 OD1 ASP A 25 6.459 -7.396 -9.503 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.796 -6.168 -10.741 1.00 0.00 O ATOM 0 H ASP A 25 8.610 -6.820 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 25 7.694 -4.112 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.632 -5.062 -8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.965 -4.195 -9.460 1.00 0.00 H new ATOM 328 N ALA A 26 6.391 -5.040 -5.412 1.00 0.00 N ATOM 329 CA ALA A 26 5.577 -5.530 -4.307 1.00 0.00 C ATOM 330 C ALA A 26 4.157 -4.978 -4.384 1.00 0.00 C ATOM 331 O ALA A 26 3.950 -3.765 -4.375 1.00 0.00 O ATOM 332 CB ALA A 26 6.217 -5.161 -2.976 1.00 0.00 C ATOM 0 H ALA A 26 6.783 -4.110 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 26 5.521 -6.616 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.598 -5.533 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.209 -5.608 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.302 -4.077 -2.902 1.00 0.00 H new ATOM 338 N VAL A 27 3.181 -5.878 -4.460 1.00 0.00 N ATOM 339 CA VAL A 27 1.780 -5.481 -4.538 1.00 0.00 C ATOM 340 C VAL A 27 0.943 -6.213 -3.495 1.00 0.00 C ATOM 341 O VAL A 27 1.286 -7.317 -3.071 1.00 0.00 O ATOM 342 CB VAL A 27 1.196 -5.759 -5.936 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.829 -7.002 -6.543 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.317 -5.903 -5.861 1.00 0.00 C ATOM 0 H VAL A 27 3.335 -6.886 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 27 1.743 -4.409 -4.343 1.00 0.00 H new ATOM 0 HB VAL A 27 1.427 -4.912 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.404 -7.182 -7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.905 -6.855 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.632 -7.861 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.714 -6.099 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.571 -6.731 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.751 -4.982 -5.472 1.00 0.00 H new ATOM 354 N PHE A 28 -0.157 -5.590 -3.085 1.00 0.00 N ATOM 355 CA PHE A 28 -1.044 -6.182 -2.090 1.00 0.00 C ATOM 356 C PHE A 28 -2.484 -6.213 -2.595 1.00 0.00 C ATOM 357 O PHE A 28 -2.799 -5.644 -3.640 1.00 0.00 O ATOM 358 CB PHE A 28 -0.969 -5.397 -0.778 1.00 0.00 C ATOM 359 CG PHE A 28 0.307 -5.621 -0.018 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.424 -6.679 0.869 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.389 -4.773 -0.190 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.597 -6.888 1.569 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.565 -4.977 0.507 1.00 0.00 C ATOM 364 CZ PHE A 28 2.669 -6.035 1.389 1.00 0.00 C ATOM 0 H PHE A 28 -0.455 -4.676 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.717 -7.207 -1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.072 -4.334 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.812 -5.678 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.411 -7.348 1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.313 -3.943 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.676 -7.717 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.402 -4.310 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.586 -6.195 1.937 1.00 0.00 H new ATOM 374 N SER A 29 -3.353 -6.882 -1.845 1.00 0.00 N ATOM 375 CA SER A 29 -4.759 -6.992 -2.218 1.00 0.00 C ATOM 376 C SER A 29 -5.621 -7.307 -0.999 1.00 0.00 C ATOM 377 O SER A 29 -5.212 -8.056 -0.111 1.00 0.00 O ATOM 378 CB SER A 29 -4.943 -8.077 -3.281 1.00 0.00 C ATOM 379 OG SER A 29 -4.686 -9.364 -2.745 1.00 0.00 O ATOM 0 H SER A 29 -3.109 -7.356 -0.976 1.00 0.00 H new ATOM 0 HA SER A 29 -5.077 -6.034 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.960 -8.039 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.272 -7.888 -4.119 1.00 0.00 H new ATOM 0 HG SER A 29 -4.812 -10.040 -3.443 1.00 0.00 H new ATOM 385 N LEU A 30 -6.817 -6.729 -0.964 1.00 0.00 N ATOM 386 CA LEU A 30 -7.739 -6.946 0.145 1.00 0.00 C ATOM 387 C LEU A 30 -9.181 -6.708 -0.291 1.00 0.00 C ATOM 388 O LEU A 30 -9.468 -5.771 -1.036 1.00 0.00 O ATOM 389 CB LEU A 30 -7.389 -6.023 1.314 1.00 0.00 C ATOM 390 CG LEU A 30 -7.745 -4.547 1.134 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.150 -4.271 1.646 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.732 -3.663 1.847 1.00 0.00 C ATOM 0 H LEU A 30 -7.171 -6.107 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.642 -7.983 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.895 -6.392 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.318 -6.097 1.501 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.716 -4.313 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.386 -3.216 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.865 -4.878 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.207 -4.522 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.001 -2.616 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.729 -3.899 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.739 -3.840 1.433 1.00 0.00 H new ATOM 404 N ASP A 31 -10.084 -7.561 0.180 1.00 0.00 N ATOM 405 CA ASP A 31 -11.498 -7.442 -0.159 1.00 0.00 C ATOM 406 C ASP A 31 -12.301 -6.929 1.032 1.00 0.00 C ATOM 407 O ASP A 31 -11.867 -7.038 2.180 1.00 0.00 O ATOM 408 CB ASP A 31 -12.050 -8.792 -0.618 1.00 0.00 C ATOM 409 CG ASP A 31 -11.347 -9.315 -1.855 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.968 -8.492 -2.715 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.175 -10.547 -1.963 1.00 0.00 O ATOM 0 H ASP A 31 -9.863 -8.342 0.797 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.591 -6.724 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.946 -9.517 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.116 -8.694 -0.823 1.00 0.00 H new ATOM 416 N LEU A 32 -13.472 -6.367 0.752 1.00 0.00 N ATOM 417 CA LEU A 32 -14.335 -5.836 1.801 1.00 0.00 C ATOM 418 C LEU A 32 -15.771 -6.319 1.621 1.00 0.00 C ATOM 419 O LEU A 32 -16.095 -6.980 0.634 1.00 0.00 O ATOM 420 CB LEU A 32 -14.296 -4.307 1.795 1.00 0.00 C ATOM 421 CG LEU A 32 -12.905 -3.671 1.811 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.005 -2.164 1.631 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.180 -4.009 3.106 1.00 0.00 C ATOM 0 H LEU A 32 -13.845 -6.267 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.966 -6.200 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.825 -3.953 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.849 -3.946 2.662 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.330 -4.078 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.006 -1.729 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.484 -1.942 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.597 -1.739 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.192 -3.549 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.752 -3.630 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.076 -5.091 3.193 1.00 0.00 H new ATOM 435 N SER A 33 -16.627 -5.984 2.581 1.00 0.00 N ATOM 436 CA SER A 33 -18.028 -6.385 2.529 1.00 0.00 C ATOM 437 C SER A 33 -18.841 -5.412 1.680 1.00 0.00 C ATOM 438 O SER A 33 -19.803 -5.802 1.016 1.00 0.00 O ATOM 439 CB SER A 33 -18.612 -6.458 3.941 1.00 0.00 C ATOM 440 OG SER A 33 -19.991 -6.785 3.907 1.00 0.00 O ATOM 0 H SER A 33 -16.375 -5.436 3.404 1.00 0.00 H new ATOM 0 HA SER A 33 -18.081 -7.372 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.072 -7.205 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.474 -5.501 4.445 1.00 0.00 H new ATOM 0 HG SER A 33 -20.340 -6.827 4.822 1.00 0.00 H new ATOM 446 N THR A 34 -18.449 -4.142 1.707 1.00 0.00 N ATOM 447 CA THR A 34 -19.140 -3.112 0.942 1.00 0.00 C ATOM 448 C THR A 34 -18.212 -1.945 0.628 1.00 0.00 C ATOM 449 O THR A 34 -17.117 -1.844 1.182 1.00 0.00 O ATOM 450 CB THR A 34 -20.373 -2.583 1.699 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.270 -1.941 0.786 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.961 -1.603 2.787 1.00 0.00 C ATOM 0 H THR A 34 -17.656 -3.802 2.251 1.00 0.00 H new ATOM 0 HA THR A 34 -19.465 -3.575 0.010 1.00 0.00 H new ATOM 0 HB THR A 34 -20.876 -3.430 2.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 -22.052 -1.609 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.848 -1.243 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.302 -2.103 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.437 -0.759 2.338 1.00 0.00 H new ATOM 460 N ILE A 35 -18.656 -1.066 -0.264 1.00 0.00 N ATOM 461 CA ILE A 35 -17.864 0.096 -0.651 1.00 0.00 C ATOM 462 C ILE A 35 -17.530 0.960 0.560 1.00 0.00 C ATOM 463 O ILE A 35 -18.352 1.130 1.460 1.00 0.00 O ATOM 464 CB ILE A 35 -18.600 0.956 -1.695 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.985 0.107 -2.908 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.733 2.132 -2.118 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.945 0.799 -3.850 1.00 0.00 C ATOM 0 H ILE A 35 -19.559 -1.136 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.941 -0.282 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.513 1.346 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.081 -0.161 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.435 -0.823 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.267 2.731 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.505 2.748 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.805 1.762 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.174 0.138 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.865 1.043 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.489 1.715 -4.225 1.00 0.00 H new ATOM 479 N ILE A 36 -16.318 1.506 0.574 1.00 0.00 N ATOM 480 CA ILE A 36 -15.877 2.356 1.672 1.00 0.00 C ATOM 481 C ILE A 36 -14.583 3.082 1.319 1.00 0.00 C ATOM 482 O ILE A 36 -13.725 2.539 0.624 1.00 0.00 O ATOM 483 CB ILE A 36 -15.660 1.542 2.962 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.455 2.480 4.154 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.469 0.608 2.805 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.840 1.863 5.480 1.00 0.00 C ATOM 0 H ILE A 36 -15.625 1.374 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.667 3.087 1.842 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.548 0.938 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.408 2.782 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.042 3.385 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.328 0.040 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.652 -0.079 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.573 1.193 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.669 2.583 6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.894 1.586 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.235 0.974 5.657 1.00 0.00 H new ATOM 498 N GLN A 37 -14.450 4.312 1.805 1.00 0.00 N ATOM 499 CA GLN A 37 -13.260 5.112 1.542 1.00 0.00 C ATOM 500 C GLN A 37 -12.273 5.019 2.701 1.00 0.00 C ATOM 501 O GLN A 37 -12.549 5.490 3.804 1.00 0.00 O ATOM 502 CB GLN A 37 -13.644 6.573 1.301 1.00 0.00 C ATOM 503 CG GLN A 37 -12.630 7.340 0.467 1.00 0.00 C ATOM 504 CD GLN A 37 -12.819 8.841 0.555 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.917 9.355 0.335 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.747 9.556 0.877 1.00 0.00 N ATOM 0 H GLN A 37 -15.151 4.776 2.383 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.780 4.717 0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.613 6.608 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.763 7.072 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.624 7.084 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.711 7.028 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.857 9.090 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.814 10.571 0.950 1.00 0.00 H new ATOM 515 N GLY A 38 -11.121 4.407 2.444 1.00 0.00 N ATOM 516 CA GLY A 38 -10.111 4.262 3.476 1.00 0.00 C ATOM 517 C GLY A 38 -8.802 4.929 3.104 1.00 0.00 C ATOM 518 O GLY A 38 -8.745 5.722 2.164 1.00 0.00 O ATOM 0 H GLY A 38 -10.869 4.009 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.482 4.691 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.935 3.202 3.662 1.00 0.00 H new ATOM 522 N THR A 39 -7.745 4.609 3.844 1.00 0.00 N ATOM 523 CA THR A 39 -6.430 5.184 3.589 1.00 0.00 C ATOM 524 C THR A 39 -5.334 4.134 3.728 1.00 0.00 C ATOM 525 O THR A 39 -5.397 3.270 4.603 1.00 0.00 O ATOM 526 CB THR A 39 -6.132 6.351 4.548 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.020 7.443 4.283 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.691 6.816 4.403 1.00 0.00 C ATOM 0 H THR A 39 -7.774 3.954 4.625 1.00 0.00 H new ATOM 0 HA THR A 39 -6.442 5.559 2.565 1.00 0.00 H new ATOM 0 HB THR A 39 -6.283 6.000 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.825 8.180 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.504 7.641 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.017 5.991 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.518 7.150 3.380 1.00 0.00 H new ATOM 536 N TRP A 40 -4.332 4.214 2.861 1.00 0.00 N ATOM 537 CA TRP A 40 -3.220 3.270 2.888 1.00 0.00 C ATOM 538 C TRP A 40 -2.094 3.781 3.779 1.00 0.00 C ATOM 539 O TRP A 40 -1.753 4.963 3.749 1.00 0.00 O ATOM 540 CB TRP A 40 -2.696 3.027 1.472 1.00 0.00 C ATOM 541 CG TRP A 40 -3.532 2.062 0.686 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.533 2.369 -0.190 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.440 0.633 0.708 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.069 1.218 -0.714 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.415 0.139 -0.180 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.627 -0.277 1.389 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.599 -1.223 -0.401 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.810 -1.628 1.169 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.789 -2.091 0.279 1.00 0.00 C ATOM 0 H TRP A 40 -4.266 4.923 2.130 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.585 2.329 3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.654 3.977 0.940 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.675 2.649 1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.856 3.370 -0.435 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.831 1.174 -1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.869 0.070 2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.354 -1.582 -1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.188 -2.340 1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.906 -3.154 0.127 1.00 0.00 H new ATOM 560 N PHE A 41 -1.519 2.882 4.572 1.00 0.00 N ATOM 561 CA PHE A 41 -0.431 3.243 5.473 1.00 0.00 C ATOM 562 C PHE A 41 0.868 2.558 5.059 1.00 0.00 C ATOM 563 O PHE A 41 0.852 1.533 4.376 1.00 0.00 O ATOM 564 CB PHE A 41 -0.785 2.863 6.913 1.00 0.00 C ATOM 565 CG PHE A 41 -1.564 3.922 7.638 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.825 4.295 7.201 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.036 4.545 8.758 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.544 5.270 7.866 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.751 5.520 9.427 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.007 5.882 8.981 1.00 0.00 C ATOM 0 H PHE A 41 -1.789 1.899 4.609 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.287 4.322 5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.364 1.939 6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.134 2.659 7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.251 3.818 6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.055 4.265 9.112 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.525 5.553 7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.328 5.999 10.298 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.568 6.643 9.504 1.00 0.00 H new ATOM 580 N LEU A 42 1.991 3.131 5.477 1.00 0.00 N ATOM 581 CA LEU A 42 3.301 2.576 5.150 1.00 0.00 C ATOM 582 C LEU A 42 4.268 2.740 6.317 1.00 0.00 C ATOM 583 O LEU A 42 4.651 3.855 6.668 1.00 0.00 O ATOM 584 CB LEU A 42 3.868 3.258 3.903 1.00 0.00 C ATOM 585 CG LEU A 42 5.273 2.826 3.483 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.372 1.309 3.430 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.637 3.433 2.136 1.00 0.00 C ATOM 0 H LEU A 42 2.022 3.979 6.043 1.00 0.00 H new ATOM 0 HA LEU A 42 3.178 1.511 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.189 3.073 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.876 4.334 4.074 1.00 0.00 H new ATOM 0 HG LEU A 42 5.982 3.190 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.379 1.020 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.155 0.896 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.653 0.922 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.640 3.115 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.924 3.099 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.608 4.520 2.207 1.00 0.00 H new ATOM 599 N ASN A 43 4.662 1.619 6.914 1.00 0.00 N ATOM 600 CA ASN A 43 5.587 1.639 8.041 1.00 0.00 C ATOM 601 C ASN A 43 4.994 2.406 9.219 1.00 0.00 C ATOM 602 O ASN A 43 5.677 3.201 9.863 1.00 0.00 O ATOM 603 CB ASN A 43 6.918 2.269 7.625 1.00 0.00 C ATOM 604 CG ASN A 43 7.762 1.334 6.780 1.00 0.00 C ATOM 605 OD1 ASN A 43 8.173 0.268 7.237 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.023 1.732 5.540 1.00 0.00 N ATOM 0 H ASN A 43 4.355 0.687 6.636 1.00 0.00 H new ATOM 0 HA ASN A 43 5.762 0.609 8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.724 3.184 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.477 2.552 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.586 1.145 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.661 2.624 5.204 1.00 0.00 H new ATOM 613 N GLY A 44 3.717 2.161 9.495 1.00 0.00 N ATOM 614 CA GLY A 44 3.053 2.836 10.595 1.00 0.00 C ATOM 615 C GLY A 44 2.644 4.253 10.244 1.00 0.00 C ATOM 616 O GLY A 44 1.897 4.891 10.984 1.00 0.00 O ATOM 0 H GLY A 44 3.130 1.507 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.170 2.268 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.717 2.856 11.459 1.00 0.00 H new ATOM 620 N GLU A 45 3.137 4.746 9.112 1.00 0.00 N ATOM 621 CA GLU A 45 2.820 6.098 8.666 1.00 0.00 C ATOM 622 C GLU A 45 1.666 6.085 7.668 1.00 0.00 C ATOM 623 O GLU A 45 1.173 5.024 7.288 1.00 0.00 O ATOM 624 CB GLU A 45 4.050 6.751 8.032 1.00 0.00 C ATOM 625 CG GLU A 45 4.916 7.510 9.025 1.00 0.00 C ATOM 626 CD GLU A 45 4.346 8.871 9.374 1.00 0.00 C ATOM 627 OE1 GLU A 45 3.460 8.937 10.251 1.00 0.00 O ATOM 628 OE2 GLU A 45 4.787 9.871 8.769 1.00 0.00 O ATOM 0 H GLU A 45 3.757 4.230 8.488 1.00 0.00 H new ATOM 0 HA GLU A 45 2.517 6.679 9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.653 5.981 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.724 7.436 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.021 6.920 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.916 7.635 8.609 1.00 0.00 H new ATOM 635 N GLU A 46 1.242 7.273 7.248 1.00 0.00 N ATOM 636 CA GLU A 46 0.145 7.398 6.295 1.00 0.00 C ATOM 637 C GLU A 46 0.658 7.853 4.931 1.00 0.00 C ATOM 638 O GLU A 46 1.568 8.679 4.842 1.00 0.00 O ATOM 639 CB GLU A 46 -0.901 8.386 6.814 1.00 0.00 C ATOM 640 CG GLU A 46 -2.084 8.568 5.878 1.00 0.00 C ATOM 641 CD GLU A 46 -2.849 9.849 6.147 1.00 0.00 C ATOM 642 OE1 GLU A 46 -2.369 10.926 5.735 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.929 9.775 6.771 1.00 0.00 O ATOM 0 H GLU A 46 1.641 8.161 7.552 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.317 6.417 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.264 8.042 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.425 9.353 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.730 8.570 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.758 7.718 5.981 1.00 0.00 H new ATOM 650 N LEU A 47 0.069 7.310 3.872 1.00 0.00 N ATOM 651 CA LEU A 47 0.466 7.659 2.513 1.00 0.00 C ATOM 652 C LEU A 47 -0.338 8.849 2.000 1.00 0.00 C ATOM 653 O LEU A 47 -1.403 9.167 2.528 1.00 0.00 O ATOM 654 CB LEU A 47 0.275 6.461 1.581 1.00 0.00 C ATOM 655 CG LEU A 47 1.248 5.298 1.775 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.756 4.061 1.039 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.642 5.684 1.301 1.00 0.00 C ATOM 0 H LEU A 47 -0.686 6.626 3.928 1.00 0.00 H new ATOM 0 HA LEU A 47 1.520 7.935 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.740 6.085 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.358 6.810 0.552 1.00 0.00 H new ATOM 0 HG LEU A 47 1.299 5.066 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.462 3.244 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.221 3.772 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.675 4.279 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.321 4.844 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.608 5.944 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.997 6.541 1.874 1.00 0.00 H new ATOM 669 N LYS A 48 0.179 9.504 0.965 1.00 0.00 N ATOM 670 CA LYS A 48 -0.491 10.658 0.377 1.00 0.00 C ATOM 671 C LYS A 48 -0.780 10.423 -1.102 1.00 0.00 C ATOM 672 O LYS A 48 -0.095 10.964 -1.971 1.00 0.00 O ATOM 673 CB LYS A 48 0.368 11.913 0.548 1.00 0.00 C ATOM 674 CG LYS A 48 1.837 11.692 0.234 1.00 0.00 C ATOM 675 CD LYS A 48 2.495 12.963 -0.277 1.00 0.00 C ATOM 676 CE LYS A 48 4.011 12.881 -0.187 1.00 0.00 C ATOM 677 NZ LYS A 48 4.488 12.960 1.221 1.00 0.00 N ATOM 0 H LYS A 48 1.060 9.255 0.516 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.439 10.801 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.019 12.699 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.274 12.270 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.354 11.348 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.936 10.904 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.200 13.136 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.141 13.816 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.351 11.947 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.454 13.691 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.506 13.173 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.972 13.712 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.320 12.050 1.696 1.00 0.00 H new ATOM 691 N SER A 49 -1.798 9.616 -1.381 1.00 0.00 N ATOM 692 CA SER A 49 -2.176 9.309 -2.756 1.00 0.00 C ATOM 693 C SER A 49 -1.944 10.512 -3.665 1.00 0.00 C ATOM 694 O SER A 49 -1.353 10.389 -4.736 1.00 0.00 O ATOM 695 CB SER A 49 -3.643 8.882 -2.820 1.00 0.00 C ATOM 696 OG SER A 49 -4.498 9.927 -2.389 1.00 0.00 O ATOM 0 H SER A 49 -2.376 9.163 -0.673 1.00 0.00 H new ATOM 0 HA SER A 49 -1.550 8.487 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.898 8.597 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.796 8.002 -2.196 1.00 0.00 H new ATOM 0 HG SER A 49 -5.430 9.629 -2.441 1.00 0.00 H new ATOM 702 N ASN A 50 -2.415 11.676 -3.227 1.00 0.00 N ATOM 703 CA ASN A 50 -2.260 12.902 -4.000 1.00 0.00 C ATOM 704 C ASN A 50 -0.862 12.991 -4.605 1.00 0.00 C ATOM 705 O ASN A 50 0.111 12.524 -4.015 1.00 0.00 O ATOM 706 CB ASN A 50 -2.524 14.124 -3.117 1.00 0.00 C ATOM 707 CG ASN A 50 -4.002 14.438 -2.993 1.00 0.00 C ATOM 708 OD1 ASN A 50 -4.632 14.901 -3.944 1.00 0.00 O ATOM 709 ND2 ASN A 50 -4.563 14.187 -1.815 1.00 0.00 N ATOM 0 H ASN A 50 -2.907 11.795 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.988 12.884 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.108 13.949 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.005 14.988 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.555 14.378 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.002 13.803 -1.054 1.00 0.00 H new ATOM 716 N GLU A 51 -0.772 13.595 -5.786 1.00 0.00 N ATOM 717 CA GLU A 51 0.507 13.745 -6.471 1.00 0.00 C ATOM 718 C GLU A 51 1.524 14.449 -5.577 1.00 0.00 C ATOM 719 O GLU A 51 1.252 15.496 -4.990 1.00 0.00 O ATOM 720 CB GLU A 51 0.326 14.530 -7.771 1.00 0.00 C ATOM 721 CG GLU A 51 -0.192 13.687 -8.925 1.00 0.00 C ATOM 722 CD GLU A 51 -0.473 14.508 -10.168 1.00 0.00 C ATOM 723 OE1 GLU A 51 0.452 15.199 -10.643 1.00 0.00 O ATOM 724 OE2 GLU A 51 -1.618 14.461 -10.665 1.00 0.00 O ATOM 0 H GLU A 51 -1.568 13.988 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 51 0.883 12.749 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.366 15.354 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.281 14.971 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.539 12.914 -9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.105 13.178 -8.617 1.00 0.00 H new ATOM 731 N PRO A 52 2.724 13.860 -5.469 1.00 0.00 N ATOM 732 CA PRO A 52 3.806 14.412 -4.648 1.00 0.00 C ATOM 733 C PRO A 52 4.380 15.697 -5.235 1.00 0.00 C ATOM 734 O PRO A 52 4.979 15.685 -6.310 1.00 0.00 O ATOM 735 CB PRO A 52 4.860 13.302 -4.658 1.00 0.00 C ATOM 736 CG PRO A 52 4.603 12.546 -5.915 1.00 0.00 C ATOM 737 CD PRO A 52 3.118 12.609 -6.140 1.00 0.00 C ATOM 0 HA PRO A 52 3.463 14.684 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.869 13.714 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.766 12.659 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.144 12.987 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.941 11.513 -5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.873 12.628 -7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.610 11.746 -5.711 1.00 0.00 H new ATOM 745 N GLU A 53 4.194 16.803 -4.521 1.00 0.00 N ATOM 746 CA GLU A 53 4.694 18.096 -4.973 1.00 0.00 C ATOM 747 C GLU A 53 5.061 18.982 -3.786 1.00 0.00 C ATOM 748 O GLU A 53 4.314 19.076 -2.813 1.00 0.00 O ATOM 749 CB GLU A 53 3.648 18.797 -5.842 1.00 0.00 C ATOM 750 CG GLU A 53 2.385 19.178 -5.087 1.00 0.00 C ATOM 751 CD GLU A 53 1.340 19.814 -5.982 1.00 0.00 C ATOM 752 OE1 GLU A 53 1.412 21.042 -6.198 1.00 0.00 O ATOM 753 OE2 GLU A 53 0.449 19.084 -6.466 1.00 0.00 O ATOM 0 H GLU A 53 3.701 16.829 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 53 5.592 17.922 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.089 19.696 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.381 18.144 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.964 18.288 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.641 19.870 -4.285 1.00 0.00 H new ATOM 760 N GLY A 54 6.219 19.630 -3.874 1.00 0.00 N ATOM 761 CA GLY A 54 6.667 20.499 -2.802 1.00 0.00 C ATOM 762 C GLY A 54 7.845 19.923 -2.042 1.00 0.00 C ATOM 763 O GLY A 54 8.985 20.342 -2.243 1.00 0.00 O ATOM 0 H GLY A 54 6.855 19.568 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.945 21.468 -3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.842 20.672 -2.111 1.00 0.00 H new ATOM 767 N GLN A 55 7.571 18.962 -1.167 1.00 0.00 N ATOM 768 CA GLN A 55 8.618 18.330 -0.373 1.00 0.00 C ATOM 769 C GLN A 55 9.162 17.091 -1.077 1.00 0.00 C ATOM 770 O GLN A 55 10.373 16.874 -1.127 1.00 0.00 O ATOM 771 CB GLN A 55 8.082 17.952 1.009 1.00 0.00 C ATOM 772 CG GLN A 55 9.141 17.974 2.099 1.00 0.00 C ATOM 773 CD GLN A 55 8.607 17.514 3.441 1.00 0.00 C ATOM 774 OE1 GLN A 55 7.654 16.737 3.510 1.00 0.00 O ATOM 775 NE2 GLN A 55 9.219 17.993 4.518 1.00 0.00 N ATOM 0 H GLN A 55 6.633 18.604 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 55 9.432 19.046 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.280 18.639 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.644 16.955 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.973 17.334 1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.536 18.985 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.005 18.635 4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.903 17.719 5.448 1.00 0.00 H new ATOM 784 N VAL A 56 8.259 16.281 -1.620 1.00 0.00 N ATOM 785 CA VAL A 56 8.648 15.064 -2.323 1.00 0.00 C ATOM 786 C VAL A 56 8.605 15.263 -3.833 1.00 0.00 C ATOM 787 O VAL A 56 7.589 15.684 -4.384 1.00 0.00 O ATOM 788 CB VAL A 56 7.736 13.882 -1.945 1.00 0.00 C ATOM 789 CG1 VAL A 56 8.114 12.640 -2.739 1.00 0.00 C ATOM 790 CG2 VAL A 56 7.806 13.611 -0.450 1.00 0.00 C ATOM 0 H VAL A 56 7.253 16.445 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 56 9.670 14.836 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 56 6.708 14.145 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.459 11.815 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.006 12.843 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.148 12.371 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.155 12.773 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.832 13.369 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.481 14.497 0.096 1.00 0.00 H new ATOM 800 N GLU A 57 9.715 14.956 -4.497 1.00 0.00 N ATOM 801 CA GLU A 57 9.803 15.103 -5.946 1.00 0.00 C ATOM 802 C GLU A 57 8.824 14.166 -6.647 1.00 0.00 C ATOM 803 O GLU A 57 8.483 13.094 -6.146 1.00 0.00 O ATOM 804 CB GLU A 57 11.229 14.819 -6.423 1.00 0.00 C ATOM 805 CG GLU A 57 11.667 13.380 -6.210 1.00 0.00 C ATOM 806 CD GLU A 57 13.150 13.180 -6.456 1.00 0.00 C ATOM 807 OE1 GLU A 57 13.564 13.191 -7.634 1.00 0.00 O ATOM 808 OE2 GLU A 57 13.897 13.013 -5.469 1.00 0.00 O ATOM 0 H GLU A 57 10.565 14.604 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 57 9.541 16.130 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.303 15.059 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.917 15.481 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.428 13.078 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.101 12.729 -6.876 1.00 0.00 H new ATOM 815 N PRO A 58 8.360 14.578 -7.836 1.00 0.00 N ATOM 816 CA PRO A 58 7.414 13.791 -8.633 1.00 0.00 C ATOM 817 C PRO A 58 8.049 12.530 -9.209 1.00 0.00 C ATOM 818 O PRO A 58 7.354 11.641 -9.698 1.00 0.00 O ATOM 819 CB PRO A 58 7.014 14.750 -9.758 1.00 0.00 C ATOM 820 CG PRO A 58 8.164 15.689 -9.882 1.00 0.00 C ATOM 821 CD PRO A 58 8.723 15.844 -8.495 1.00 0.00 C ATOM 0 HA PRO A 58 6.573 13.438 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.838 14.214 -10.691 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.093 15.281 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.917 15.296 -10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.842 16.650 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.803 15.993 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.291 16.703 -7.981 1.00 0.00 H new ATOM 829 N GLY A 59 9.375 12.460 -9.146 1.00 0.00 N ATOM 830 CA GLY A 59 10.082 11.303 -9.665 1.00 0.00 C ATOM 831 C GLY A 59 10.795 10.523 -8.578 1.00 0.00 C ATOM 832 O GLY A 59 11.918 10.060 -8.772 1.00 0.00 O ATOM 0 H GLY A 59 9.972 13.183 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.375 10.648 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.808 11.629 -10.410 1.00 0.00 H new ATOM 836 N ALA A 60 10.141 10.380 -7.429 1.00 0.00 N ATOM 837 CA ALA A 60 10.719 9.651 -6.307 1.00 0.00 C ATOM 838 C ALA A 60 10.537 8.147 -6.477 1.00 0.00 C ATOM 839 O ALA A 60 11.484 7.429 -6.800 1.00 0.00 O ATOM 840 CB ALA A 60 10.097 10.116 -4.999 1.00 0.00 C ATOM 0 H ALA A 60 9.211 10.759 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 60 11.788 9.860 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.538 9.563 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.285 11.181 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.022 9.937 -5.023 1.00 0.00 H new ATOM 846 N LEU A 61 9.315 7.675 -6.257 1.00 0.00 N ATOM 847 CA LEU A 61 9.008 6.255 -6.385 1.00 0.00 C ATOM 848 C LEU A 61 7.756 6.042 -7.230 1.00 0.00 C ATOM 849 O LEU A 61 6.917 6.935 -7.350 1.00 0.00 O ATOM 850 CB LEU A 61 8.817 5.627 -5.003 1.00 0.00 C ATOM 851 CG LEU A 61 7.394 5.655 -4.444 1.00 0.00 C ATOM 852 CD1 LEU A 61 6.633 4.406 -4.859 1.00 0.00 C ATOM 853 CD2 LEU A 61 7.418 5.789 -2.929 1.00 0.00 C ATOM 0 H LEU A 61 8.520 8.255 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 61 9.848 5.771 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.148 4.589 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.473 6.140 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 61 6.879 6.523 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.623 4.444 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.584 4.354 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.146 3.524 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.397 5.807 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.951 4.942 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.924 6.714 -2.654 1.00 0.00 H new ATOM 865 N ARG A 62 7.636 4.853 -7.812 1.00 0.00 N ATOM 866 CA ARG A 62 6.486 4.523 -8.645 1.00 0.00 C ATOM 867 C ARG A 62 5.544 3.568 -7.918 1.00 0.00 C ATOM 868 O ARG A 62 5.954 2.495 -7.473 1.00 0.00 O ATOM 869 CB ARG A 62 6.947 3.897 -9.963 1.00 0.00 C ATOM 870 CG ARG A 62 7.485 4.908 -10.962 1.00 0.00 C ATOM 871 CD ARG A 62 8.934 5.265 -10.668 1.00 0.00 C ATOM 872 NE ARG A 62 9.525 6.076 -11.729 1.00 0.00 N ATOM 873 CZ ARG A 62 10.833 6.246 -11.883 1.00 0.00 C ATOM 874 NH1 ARG A 62 11.683 5.663 -11.049 1.00 0.00 N ATOM 875 NH2 ARG A 62 11.294 6.999 -12.874 1.00 0.00 N ATOM 0 H ARG A 62 8.321 4.103 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 62 5.947 5.446 -8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.721 3.159 -9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.111 3.363 -10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.407 4.502 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.874 5.810 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.989 5.807 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.515 4.351 -10.545 1.00 0.00 H new ATOM 0 HE ARG A 62 8.898 6.537 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.333 5.082 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.687 5.795 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.643 7.448 -13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.299 7.129 -12.991 1.00 0.00 H new ATOM 889 N TYR A 63 4.282 3.965 -7.801 1.00 0.00 N ATOM 890 CA TYR A 63 3.283 3.146 -7.125 1.00 0.00 C ATOM 891 C TYR A 63 1.899 3.369 -7.726 1.00 0.00 C ATOM 892 O TYR A 63 1.667 4.351 -8.431 1.00 0.00 O ATOM 893 CB TYR A 63 3.259 3.465 -5.629 1.00 0.00 C ATOM 894 CG TYR A 63 2.875 4.894 -5.320 1.00 0.00 C ATOM 895 CD1 TYR A 63 3.620 5.957 -5.818 1.00 0.00 C ATOM 896 CD2 TYR A 63 1.769 5.183 -4.531 1.00 0.00 C ATOM 897 CE1 TYR A 63 3.274 7.264 -5.538 1.00 0.00 C ATOM 898 CE2 TYR A 63 1.415 6.487 -4.247 1.00 0.00 C ATOM 899 CZ TYR A 63 2.170 7.525 -4.753 1.00 0.00 C ATOM 900 OH TYR A 63 1.821 8.826 -4.471 1.00 0.00 O ATOM 0 H TYR A 63 3.926 4.849 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 63 3.555 2.099 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.557 2.794 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.244 3.263 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.484 5.757 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.175 4.373 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.865 8.078 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.552 6.693 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 63 1.019 8.835 -3.907 1.00 0.00 H new ATOM 910 N ARG A 64 0.982 2.449 -7.442 1.00 0.00 N ATOM 911 CA ARG A 64 -0.379 2.544 -7.954 1.00 0.00 C ATOM 912 C ARG A 64 -1.393 2.173 -6.875 1.00 0.00 C ATOM 913 O ARG A 64 -1.319 1.095 -6.284 1.00 0.00 O ATOM 914 CB ARG A 64 -0.554 1.631 -9.169 1.00 0.00 C ATOM 915 CG ARG A 64 -1.865 1.846 -9.908 1.00 0.00 C ATOM 916 CD ARG A 64 -1.859 1.156 -11.263 1.00 0.00 C ATOM 917 NE ARG A 64 -1.156 1.941 -12.274 1.00 0.00 N ATOM 918 CZ ARG A 64 -0.750 1.446 -13.438 1.00 0.00 C ATOM 919 NH1 ARG A 64 -0.977 0.174 -13.736 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.115 2.223 -14.306 1.00 0.00 N ATOM 0 H ARG A 64 1.158 1.630 -6.860 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.556 3.576 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.274 1.796 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.496 0.592 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.690 1.463 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.037 2.914 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.386 0.178 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.886 0.984 -11.587 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.966 2.923 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.464 -0.427 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.664 -0.204 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.062 3.202 -14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.196 1.842 -15.199 1.00 0.00 H new ATOM 934 N ILE A 65 -2.337 3.073 -6.624 1.00 0.00 N ATOM 935 CA ILE A 65 -3.365 2.840 -5.617 1.00 0.00 C ATOM 936 C ILE A 65 -4.750 2.772 -6.251 1.00 0.00 C ATOM 937 O ILE A 65 -5.291 3.784 -6.695 1.00 0.00 O ATOM 938 CB ILE A 65 -3.360 3.942 -4.541 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.000 3.996 -3.842 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.472 3.702 -3.531 1.00 0.00 C ATOM 941 CD1 ILE A 65 -1.819 5.216 -2.966 1.00 0.00 C ATOM 0 H ILE A 65 -2.412 3.970 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.135 1.884 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.537 4.902 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.878 3.100 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.212 3.980 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.455 4.489 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.435 3.709 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.324 2.735 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.833 5.188 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.909 6.117 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.585 5.224 -2.190 1.00 0.00 H new ATOM 953 N GLU A 66 -5.319 1.571 -6.289 1.00 0.00 N ATOM 954 CA GLU A 66 -6.643 1.371 -6.868 1.00 0.00 C ATOM 955 C GLU A 66 -7.686 1.145 -5.777 1.00 0.00 C ATOM 956 O GLU A 66 -7.572 0.216 -4.979 1.00 0.00 O ATOM 957 CB GLU A 66 -6.628 0.180 -7.829 1.00 0.00 C ATOM 958 CG GLU A 66 -5.801 0.419 -9.081 1.00 0.00 C ATOM 959 CD GLU A 66 -6.249 1.646 -9.851 1.00 0.00 C ATOM 960 OE1 GLU A 66 -5.956 2.772 -9.397 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.892 1.480 -10.909 1.00 0.00 O ATOM 0 H GLU A 66 -4.884 0.723 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.910 2.272 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.237 -0.693 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.652 -0.055 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.753 0.532 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.867 -0.456 -9.728 1.00 0.00 H new ATOM 968 N GLN A 67 -8.701 2.003 -5.751 1.00 0.00 N ATOM 969 CA GLN A 67 -9.763 1.898 -4.757 1.00 0.00 C ATOM 970 C GLN A 67 -11.129 1.805 -5.429 1.00 0.00 C ATOM 971 O GLN A 67 -11.719 2.819 -5.804 1.00 0.00 O ATOM 972 CB GLN A 67 -9.727 3.100 -3.812 1.00 0.00 C ATOM 973 CG GLN A 67 -10.812 3.070 -2.748 1.00 0.00 C ATOM 974 CD GLN A 67 -12.086 3.760 -3.194 1.00 0.00 C ATOM 975 OE1 GLN A 67 -12.055 4.891 -3.680 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.215 3.082 -3.029 1.00 0.00 N ATOM 0 H GLN A 67 -8.810 2.777 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.599 0.987 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.753 3.139 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.828 4.014 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.035 2.034 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.441 3.550 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.194 2.147 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.104 3.496 -3.309 1.00 0.00 H new ATOM 985 N LYS A 68 -11.627 0.583 -5.579 1.00 0.00 N ATOM 986 CA LYS A 68 -12.925 0.356 -6.205 1.00 0.00 C ATOM 987 C LYS A 68 -13.864 -0.383 -5.257 1.00 0.00 C ATOM 988 O LYS A 68 -13.833 -1.610 -5.169 1.00 0.00 O ATOM 989 CB LYS A 68 -12.757 -0.443 -7.500 1.00 0.00 C ATOM 990 CG LYS A 68 -13.848 -0.179 -8.523 1.00 0.00 C ATOM 991 CD LYS A 68 -15.063 -1.059 -8.282 1.00 0.00 C ATOM 992 CE LYS A 68 -14.848 -2.465 -8.819 1.00 0.00 C ATOM 993 NZ LYS A 68 -15.919 -3.399 -8.374 1.00 0.00 N ATOM 0 H LYS A 68 -11.151 -0.267 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.363 1.326 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.790 -0.203 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.744 -1.507 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.143 0.870 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.460 -0.360 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.274 -1.105 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.936 -0.615 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.820 -2.437 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.880 -2.837 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.736 -4.347 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.930 -3.445 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.841 -3.058 -8.715 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.700 0.372 -4.551 1.00 0.00 N ATOM 1008 CA GLY A 69 -15.637 -0.230 -3.621 1.00 0.00 C ATOM 1009 C GLY A 69 -14.954 -1.130 -2.610 1.00 0.00 C ATOM 1010 O GLY A 69 -14.020 -0.711 -1.926 1.00 0.00 O ATOM 0 H GLY A 69 -14.745 1.389 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.178 0.557 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.375 -0.808 -4.177 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.421 -2.370 -2.514 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.850 -3.332 -1.578 1.00 0.00 C ATOM 1016 C LEU A 70 -13.627 -4.016 -2.179 1.00 0.00 C ATOM 1017 O LEU A 70 -13.364 -5.187 -1.907 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.896 -4.379 -1.191 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.928 -4.725 -2.265 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.368 -6.175 -2.134 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.127 -3.792 -2.173 1.00 0.00 C ATOM 0 H LEU A 70 -16.193 -2.733 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.538 -2.791 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.377 -5.294 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.426 -4.025 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.465 -4.594 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.102 -6.404 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.504 -6.829 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.813 -6.333 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.851 -4.053 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.591 -3.891 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.799 -2.763 -2.317 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.883 -3.277 -2.995 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.687 -3.813 -3.633 1.00 0.00 C ATOM 1035 C GLN A 71 -10.559 -2.786 -3.625 1.00 0.00 C ATOM 1036 O GLN A 71 -10.668 -1.724 -4.239 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.996 -4.237 -5.070 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.132 -5.387 -5.564 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.691 -6.043 -6.812 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.817 -6.542 -6.813 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.906 -6.044 -7.883 1.00 0.00 N ATOM 0 H GLN A 71 -13.087 -2.306 -3.230 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.364 -4.686 -3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.045 -4.526 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.859 -3.381 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.127 -5.019 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.042 -6.134 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.980 -5.619 -7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.229 -6.470 -8.752 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.476 -3.110 -2.926 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.327 -2.215 -2.839 1.00 0.00 C ATOM 1052 C HIS A 72 -7.043 -2.939 -3.234 1.00 0.00 C ATOM 1053 O HIS A 72 -6.852 -4.109 -2.903 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.196 -1.657 -1.421 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.370 -0.834 -0.991 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -10.626 -1.198 -0.641 1.00 0.00 N flip ATOM 1057 CD2 HIS A 72 -9.327 0.540 -0.883 1.00 0.00 C flip ATOM 1058 CE1 HIS A 72 -11.312 -0.049 -0.331 1.00 0.00 C flip ATOM 1059 NE2 HIS A 72 -10.505 0.985 -0.484 1.00 0.00 N flip ATOM 0 H HIS A 72 -9.370 -3.985 -2.412 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.486 -1.390 -3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.068 -2.485 -0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.294 -1.048 -1.361 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -10.994 -2.149 -0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.465 1.156 -1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.343 0.001 -0.014 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.168 -2.235 -3.945 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.904 -2.811 -4.387 1.00 0.00 C ATOM 1069 C ARG A 73 -3.815 -1.744 -4.458 1.00 0.00 C ATOM 1070 O ARG A 73 -4.057 -0.625 -4.912 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.072 -3.476 -5.754 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.139 -4.654 -5.978 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.338 -5.269 -7.355 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.570 -6.500 -7.521 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.889 -7.454 -8.389 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.955 -7.318 -9.166 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.141 -8.546 -8.481 1.00 0.00 N ATOM 0 H ARG A 73 -6.311 -1.265 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.603 -3.564 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.103 -3.815 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.899 -2.734 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.105 -4.326 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.315 -5.409 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.397 -5.479 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.041 -4.551 -8.119 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.743 -6.635 -6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.532 -6.480 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.198 -8.052 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.320 -8.654 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.387 -9.278 -9.148 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.617 -2.098 -4.007 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.491 -1.171 -4.019 1.00 0.00 C ATOM 1093 C LEU A 74 -0.234 -1.848 -4.556 1.00 0.00 C ATOM 1094 O LEU A 74 0.408 -2.632 -3.857 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.232 -0.633 -2.611 1.00 0.00 C ATOM 1096 CG LEU A 74 0.128 0.028 -2.384 1.00 0.00 C ATOM 1097 CD1 LEU A 74 0.067 1.507 -2.733 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.581 -0.164 -0.944 1.00 0.00 C ATOM 0 H LEU A 74 -2.400 -3.020 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.744 -0.340 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.010 0.092 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.336 -1.456 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 74 0.857 -0.449 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.044 1.961 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.212 1.622 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.675 1.999 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.551 0.313 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.148 0.286 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.665 -1.229 -0.728 1.00 0.00 H new ATOM 1110 N ILE A 75 0.113 -1.538 -5.801 1.00 0.00 N ATOM 1111 CA ILE A 75 1.295 -2.114 -6.430 1.00 0.00 C ATOM 1112 C ILE A 75 2.487 -1.168 -6.330 1.00 0.00 C ATOM 1113 O ILE A 75 2.365 0.031 -6.583 1.00 0.00 O ATOM 1114 CB ILE A 75 1.039 -2.444 -7.913 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.229 -3.287 -8.059 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.236 -3.170 -8.507 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.487 -2.463 -8.225 1.00 0.00 C ATOM 0 H ILE A 75 -0.408 -0.891 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 75 1.520 -3.036 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 75 0.897 -1.511 -8.459 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.120 -3.946 -8.920 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.335 -3.924 -7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.041 -3.397 -9.555 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.120 -2.537 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.407 -4.098 -7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.346 -3.126 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.620 -1.823 -7.353 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.402 -1.845 -9.119 1.00 0.00 H new ATOM 1129 N LEU A 76 3.640 -1.715 -5.960 1.00 0.00 N ATOM 1130 CA LEU A 76 4.856 -0.921 -5.828 1.00 0.00 C ATOM 1131 C LEU A 76 5.958 -1.459 -6.735 1.00 0.00 C ATOM 1132 O LEU A 76 6.654 -2.413 -6.387 1.00 0.00 O ATOM 1133 CB LEU A 76 5.332 -0.919 -4.374 1.00 0.00 C ATOM 1134 CG LEU A 76 4.293 -0.513 -3.329 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.645 -1.101 -1.971 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.185 1.002 -3.244 1.00 0.00 C ATOM 0 H LEU A 76 3.758 -2.705 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 76 4.628 0.101 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.693 -1.918 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.184 -0.243 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 76 3.325 -0.909 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.895 -0.802 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.670 -2.188 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.623 -0.735 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.441 1.272 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.151 1.420 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.886 1.400 -4.213 1.00 0.00 H new ATOM 1148 N HIS A 77 6.114 -0.837 -7.900 1.00 0.00 N ATOM 1149 CA HIS A 77 7.135 -1.252 -8.857 1.00 0.00 C ATOM 1150 C HIS A 77 8.497 -0.678 -8.480 1.00 0.00 C ATOM 1151 O HIS A 77 8.636 0.525 -8.262 1.00 0.00 O ATOM 1152 CB HIS A 77 6.752 -0.804 -10.268 1.00 0.00 C ATOM 1153 CG HIS A 77 5.274 -0.733 -10.494 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.376 0.232 -10.187 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.556 -1.741 -11.103 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 3.146 -0.205 -10.613 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.282 -1.398 -11.162 1.00 0.00 N flip ATOM 0 H HIS A 77 5.548 -0.045 -8.204 1.00 0.00 H new ATOM 0 HA HIS A 77 7.200 -2.340 -8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.188 0.177 -10.460 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.189 -1.494 -10.990 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.971 -2.667 -11.474 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.218 0.339 -10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.531 -1.959 -11.563 1.00 0.00 H new ATOM 1166 N ALA A 78 9.500 -1.547 -8.405 1.00 0.00 N ATOM 1167 CA ALA A 78 10.851 -1.127 -8.056 1.00 0.00 C ATOM 1168 C ALA A 78 10.965 -0.827 -6.565 1.00 0.00 C ATOM 1169 O ALA A 78 11.417 0.248 -6.170 1.00 0.00 O ATOM 1170 CB ALA A 78 11.252 0.092 -8.873 1.00 0.00 C ATOM 0 H ALA A 78 9.402 -2.547 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 78 11.531 -1.947 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.263 0.395 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.219 -0.154 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.561 0.910 -8.669 1.00 0.00 H new ATOM 1176 N VAL A 79 10.551 -1.784 -5.740 1.00 0.00 N ATOM 1177 CA VAL A 79 10.606 -1.622 -4.292 1.00 0.00 C ATOM 1178 C VAL A 79 12.047 -1.510 -3.807 1.00 0.00 C ATOM 1179 O VAL A 79 12.983 -1.887 -4.513 1.00 0.00 O ATOM 1180 CB VAL A 79 9.923 -2.797 -3.569 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.551 -3.067 -4.168 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.795 -4.042 -3.633 1.00 0.00 C ATOM 0 H VAL A 79 10.174 -2.680 -6.050 1.00 0.00 H new ATOM 0 HA VAL A 79 10.073 -0.701 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 79 9.790 -2.528 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.083 -3.901 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.928 -2.179 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.658 -3.315 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.296 -4.862 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.962 -4.316 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.753 -3.840 -3.153 1.00 0.00 H new ATOM 1192 N LYS A 80 12.219 -0.990 -2.597 1.00 0.00 N ATOM 1193 CA LYS A 80 13.546 -0.829 -2.014 1.00 0.00 C ATOM 1194 C LYS A 80 13.749 -1.791 -0.848 1.00 0.00 C ATOM 1195 O LYS A 80 12.796 -2.155 -0.158 1.00 0.00 O ATOM 1196 CB LYS A 80 13.747 0.613 -1.540 1.00 0.00 C ATOM 1197 CG LYS A 80 13.392 1.652 -2.589 1.00 0.00 C ATOM 1198 CD LYS A 80 14.286 1.538 -3.813 1.00 0.00 C ATOM 1199 CE LYS A 80 15.687 2.058 -3.530 1.00 0.00 C ATOM 1200 NZ LYS A 80 15.794 3.523 -3.773 1.00 0.00 N ATOM 0 H LYS A 80 11.455 -0.672 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 80 14.283 -1.058 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.139 0.783 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.787 0.748 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.350 1.529 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.486 2.650 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.340 0.496 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.848 2.099 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.953 1.841 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.404 1.532 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.764 3.839 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.565 3.728 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.128 4.027 -3.153 1.00 0.00 H new ATOM 1214 N HIS A 81 14.995 -2.199 -0.632 1.00 0.00 N ATOM 1215 CA HIS A 81 15.322 -3.117 0.452 1.00 0.00 C ATOM 1216 C HIS A 81 15.323 -2.394 1.796 1.00 0.00 C ATOM 1217 O HIS A 81 14.779 -2.893 2.780 1.00 0.00 O ATOM 1218 CB HIS A 81 16.686 -3.764 0.208 1.00 0.00 C ATOM 1219 CG HIS A 81 17.215 -4.513 1.392 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.554 -5.578 1.966 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.351 -4.346 2.110 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.259 -6.033 2.986 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.354 -5.303 3.095 1.00 0.00 N ATOM 0 H HIS A 81 15.795 -1.908 -1.194 1.00 0.00 H new ATOM 0 HA HIS A 81 14.558 -3.894 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.609 -4.447 -0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.401 -2.990 -0.071 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.660 -5.956 1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.113 -3.599 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.986 -6.862 3.623 1.00 0.00 H new ATOM 1232 N GLN A 82 15.939 -1.216 1.828 1.00 0.00 N ATOM 1233 CA GLN A 82 16.012 -0.426 3.051 1.00 0.00 C ATOM 1234 C GLN A 82 14.664 -0.402 3.765 1.00 0.00 C ATOM 1235 O GLN A 82 14.600 -0.254 4.985 1.00 0.00 O ATOM 1236 CB GLN A 82 16.459 1.003 2.734 1.00 0.00 C ATOM 1237 CG GLN A 82 15.771 1.600 1.517 1.00 0.00 C ATOM 1238 CD GLN A 82 14.533 2.396 1.878 1.00 0.00 C ATOM 1239 OE1 GLN A 82 14.112 2.419 3.035 1.00 0.00 O ATOM 1240 NE2 GLN A 82 13.942 3.055 0.888 1.00 0.00 N ATOM 0 H GLN A 82 16.394 -0.788 1.021 1.00 0.00 H new ATOM 0 HA GLN A 82 16.744 -0.891 3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.263 1.636 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.537 1.010 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.472 2.246 0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.496 0.799 0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.325 3.008 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.105 3.608 1.072 1.00 0.00 H new ATOM 1249 N ASP A 83 13.591 -0.550 2.996 1.00 0.00 N ATOM 1250 CA ASP A 83 12.244 -0.547 3.555 1.00 0.00 C ATOM 1251 C ASP A 83 11.776 -1.968 3.855 1.00 0.00 C ATOM 1252 O ASP A 83 10.580 -2.258 3.823 1.00 0.00 O ATOM 1253 CB ASP A 83 11.270 0.131 2.591 1.00 0.00 C ATOM 1254 CG ASP A 83 10.106 0.786 3.308 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.293 1.231 4.460 1.00 0.00 O ATOM 1256 OD2 ASP A 83 9.008 0.855 2.717 1.00 0.00 O ATOM 0 H ASP A 83 13.628 -0.674 1.984 1.00 0.00 H new ATOM 0 HA ASP A 83 12.267 0.013 4.490 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.804 0.883 2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.889 -0.607 1.885 1.00 0.00 H new ATOM 1261 N SER A 84 12.728 -2.850 4.144 1.00 0.00 N ATOM 1262 CA SER A 84 12.414 -4.242 4.444 1.00 0.00 C ATOM 1263 C SER A 84 11.396 -4.337 5.576 1.00 0.00 C ATOM 1264 O SER A 84 11.205 -3.389 6.336 1.00 0.00 O ATOM 1265 CB SER A 84 13.686 -5.004 4.820 1.00 0.00 C ATOM 1266 OG SER A 84 13.453 -6.401 4.851 1.00 0.00 O ATOM 0 H SER A 84 13.722 -2.625 4.177 1.00 0.00 H new ATOM 0 HA SER A 84 11.981 -4.692 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.474 -4.779 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.039 -4.669 5.795 1.00 0.00 H new ATOM 0 HG SER A 84 13.894 -6.823 4.085 1.00 0.00 H new ATOM 1272 N GLY A 85 10.745 -5.491 5.683 1.00 0.00 N ATOM 1273 CA GLY A 85 9.754 -5.691 6.724 1.00 0.00 C ATOM 1274 C GLY A 85 8.900 -4.461 6.955 1.00 0.00 C ATOM 1275 O GLY A 85 8.637 -4.084 8.097 1.00 0.00 O ATOM 0 H GLY A 85 10.886 -6.292 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.112 -6.530 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.257 -5.960 7.653 1.00 0.00 H new ATOM 1279 N ALA A 86 8.466 -3.831 5.868 1.00 0.00 N ATOM 1280 CA ALA A 86 7.636 -2.636 5.958 1.00 0.00 C ATOM 1281 C ALA A 86 6.250 -2.969 6.501 1.00 0.00 C ATOM 1282 O ALA A 86 5.891 -4.139 6.639 1.00 0.00 O ATOM 1283 CB ALA A 86 7.524 -1.968 4.595 1.00 0.00 C ATOM 0 H ALA A 86 8.675 -4.128 4.915 1.00 0.00 H new ATOM 0 HA ALA A 86 8.113 -1.944 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.901 -1.077 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.517 -1.686 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.073 -2.662 3.886 1.00 0.00 H new ATOM 1289 N LEU A 87 5.476 -1.934 6.809 1.00 0.00 N ATOM 1290 CA LEU A 87 4.129 -2.117 7.338 1.00 0.00 C ATOM 1291 C LEU A 87 3.088 -1.526 6.394 1.00 0.00 C ATOM 1292 O LEU A 87 2.888 -0.312 6.354 1.00 0.00 O ATOM 1293 CB LEU A 87 4.010 -1.468 8.718 1.00 0.00 C ATOM 1294 CG LEU A 87 3.031 -2.130 9.689 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.692 -2.376 9.011 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.609 -3.433 10.223 1.00 0.00 C ATOM 0 H LEU A 87 5.758 -0.960 6.702 1.00 0.00 H new ATOM 0 HA LEU A 87 3.943 -3.187 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.998 -1.458 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.711 -0.429 8.584 1.00 0.00 H new ATOM 0 HG LEU A 87 2.870 -1.456 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.008 -2.848 9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.273 -1.426 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.834 -3.031 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.899 -3.890 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.799 -4.114 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.543 -3.229 10.746 1.00 0.00 H new ATOM 1308 N VAL A 88 2.425 -2.392 5.635 1.00 0.00 N ATOM 1309 CA VAL A 88 1.401 -1.957 4.692 1.00 0.00 C ATOM 1310 C VAL A 88 0.015 -2.408 5.139 1.00 0.00 C ATOM 1311 O VAL A 88 -0.321 -3.589 5.059 1.00 0.00 O ATOM 1312 CB VAL A 88 1.674 -2.498 3.277 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.707 -1.886 2.275 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.115 -2.228 2.872 1.00 0.00 C ATOM 0 H VAL A 88 2.579 -3.400 5.655 1.00 0.00 H new ATOM 0 HA VAL A 88 1.435 -0.868 4.668 1.00 0.00 H new ATOM 0 HB VAL A 88 1.518 -3.577 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.916 -2.280 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.316 -2.136 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.827 -0.803 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.290 -2.617 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.301 -1.154 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.788 -2.719 3.574 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.788 -1.458 5.610 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.129 -1.778 6.063 1.00 0.00 C ATOM 1326 C GLY A 89 -3.154 -0.759 5.604 1.00 0.00 C ATOM 1327 O GLY A 89 -2.859 0.433 5.516 1.00 0.00 O ATOM 0 H GLY A 89 -0.534 -0.473 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.409 -2.764 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.138 -1.833 7.152 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.361 -1.229 5.309 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.433 -0.351 4.854 1.00 0.00 C ATOM 1333 C PHE A 90 -6.374 0.000 6.002 1.00 0.00 C ATOM 1334 O PHE A 90 -7.100 -0.856 6.507 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.218 -1.015 3.721 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.477 -0.283 3.355 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.421 0.991 2.812 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.718 -0.868 3.553 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -8.578 1.667 2.475 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -9.878 -0.196 3.217 1.00 0.00 C ATOM 1341 CZ PHE A 90 -9.808 1.073 2.677 1.00 0.00 C ATOM 0 H PHE A 90 -4.622 -2.213 5.377 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.982 0.570 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.580 -1.086 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.472 -2.034 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.462 1.461 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.779 -1.860 3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.520 2.660 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.839 -0.663 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.713 1.600 2.413 1.00 0.00 H new ATOM 1351 N SER A 91 -6.354 1.265 6.410 1.00 0.00 N ATOM 1352 CA SER A 91 -7.201 1.729 7.502 1.00 0.00 C ATOM 1353 C SER A 91 -8.490 2.345 6.966 1.00 0.00 C ATOM 1354 O SER A 91 -8.459 3.214 6.094 1.00 0.00 O ATOM 1355 CB SER A 91 -6.452 2.752 8.358 1.00 0.00 C ATOM 1356 OG SER A 91 -5.940 3.807 7.561 1.00 0.00 O ATOM 0 H SER A 91 -5.760 1.987 6.001 1.00 0.00 H new ATOM 0 HA SER A 91 -7.459 0.868 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.122 3.157 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.634 2.261 8.885 1.00 0.00 H new ATOM 0 HG SER A 91 -4.961 3.806 7.606 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.620 1.887 7.493 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.921 2.392 7.067 1.00 0.00 C ATOM 1364 C CYS A 92 -11.914 2.379 8.224 1.00 0.00 C ATOM 1365 O CYS A 92 -11.770 1.629 9.190 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.461 1.555 5.907 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.514 0.177 6.417 1.00 0.00 S ATOM 0 H CYS A 92 -9.662 1.168 8.215 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.792 3.422 6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.028 2.203 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.621 1.163 5.334 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.269 -0.857 5.668 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.947 3.229 8.128 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.984 3.336 9.158 1.00 0.00 C ATOM 1375 C PRO A 93 -14.879 2.102 9.210 1.00 0.00 C ATOM 1376 O PRO A 93 -15.995 2.111 8.693 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.790 4.563 8.725 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.577 4.656 7.254 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.182 4.153 7.005 1.00 0.00 C ATOM 0 HA PRO A 93 -13.558 3.420 10.158 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.847 4.447 8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.444 5.463 9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.310 4.056 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.689 5.683 6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.104 3.645 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.457 4.967 6.996 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.380 1.041 9.838 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.148 -0.185 9.946 1.00 0.00 C ATOM 1389 C GLY A 94 -14.274 -1.423 9.907 1.00 0.00 C ATOM 1390 O GLY A 94 -14.701 -2.507 10.303 1.00 0.00 O ATOM 0 H GLY A 94 -13.458 1.009 10.273 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.715 -0.174 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.872 -0.229 9.132 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.045 -1.261 9.427 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.107 -2.374 9.337 1.00 0.00 C ATOM 1396 C VAL A 95 -10.688 -1.926 9.667 1.00 0.00 C ATOM 1397 O VAL A 95 -10.316 -0.779 9.420 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.120 -3.007 7.933 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.989 -4.014 7.790 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.466 -3.660 7.655 1.00 0.00 C ATOM 0 H VAL A 95 -12.676 -0.370 9.095 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.429 -3.118 10.066 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.966 -2.218 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.015 -4.451 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.034 -3.512 7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.107 -4.802 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.457 -4.102 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.653 -4.438 8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.254 -2.909 7.711 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.900 -2.838 10.227 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.521 -2.535 10.592 1.00 0.00 C ATOM 1412 C GLN A 96 -7.622 -3.748 10.373 1.00 0.00 C ATOM 1413 O GLN A 96 -7.671 -4.714 11.133 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.444 -2.085 12.052 1.00 0.00 C ATOM 1415 CG GLN A 96 -7.023 -1.979 12.581 1.00 0.00 C ATOM 1416 CD GLN A 96 -6.951 -2.117 14.089 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -7.250 -3.175 14.642 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -6.552 -1.045 14.764 1.00 0.00 N ATOM 0 H GLN A 96 -10.192 -3.792 10.438 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.171 -1.725 9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.933 -1.116 12.151 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.002 -2.788 12.670 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.409 -2.752 12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.600 -1.018 12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.314 -0.188 14.265 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.484 -1.079 15.781 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.801 -3.689 9.330 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.890 -4.782 9.011 1.00 0.00 C ATOM 1429 C ASP A 97 -4.560 -4.246 8.489 1.00 0.00 C ATOM 1430 O ASP A 97 -4.475 -3.106 8.034 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.520 -5.714 7.976 1.00 0.00 C ATOM 1432 CG ASP A 97 -7.382 -4.970 6.975 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.821 -4.205 6.162 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -8.616 -5.153 7.004 1.00 0.00 O ATOM 0 H ASP A 97 -6.748 -2.896 8.691 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.701 -5.343 9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.732 -6.249 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.125 -6.463 8.487 1.00 0.00 H new ATOM 1439 N SER A 98 -3.525 -5.076 8.560 1.00 0.00 N ATOM 1440 CA SER A 98 -2.198 -4.684 8.099 1.00 0.00 C ATOM 1441 C SER A 98 -1.364 -5.910 7.739 1.00 0.00 C ATOM 1442 O SER A 98 -1.506 -6.971 8.346 1.00 0.00 O ATOM 1443 CB SER A 98 -1.482 -3.864 9.175 1.00 0.00 C ATOM 1444 OG SER A 98 -1.217 -4.651 10.323 1.00 0.00 O ATOM 0 H SER A 98 -3.579 -6.024 8.932 1.00 0.00 H new ATOM 0 HA SER A 98 -2.317 -4.072 7.205 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.547 -3.471 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.095 -3.006 9.452 1.00 0.00 H new ATOM 0 HG SER A 98 -0.758 -4.105 10.995 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.494 -5.755 6.747 1.00 0.00 N ATOM 1451 CA ALA A 99 0.365 -6.847 6.306 1.00 0.00 C ATOM 1452 C ALA A 99 1.838 -6.472 6.430 1.00 0.00 C ATOM 1453 O ALA A 99 2.192 -5.293 6.406 1.00 0.00 O ATOM 1454 CB ALA A 99 0.035 -7.231 4.871 1.00 0.00 C ATOM 0 H ALA A 99 -0.365 -4.883 6.233 1.00 0.00 H new ATOM 0 HA ALA A 99 0.180 -7.705 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.684 -8.048 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.006 -7.550 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.190 -6.371 4.219 1.00 0.00 H new ATOM 1460 N ALA A 100 2.692 -7.481 6.563 1.00 0.00 N ATOM 1461 CA ALA A 100 4.126 -7.257 6.690 1.00 0.00 C ATOM 1462 C ALA A 100 4.828 -7.422 5.346 1.00 0.00 C ATOM 1463 O ALA A 100 4.770 -8.487 4.730 1.00 0.00 O ATOM 1464 CB ALA A 100 4.721 -8.208 7.718 1.00 0.00 C ATOM 0 H ALA A 100 2.415 -8.462 6.586 1.00 0.00 H new ATOM 0 HA ALA A 100 4.280 -6.232 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.793 -8.029 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.248 -8.040 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.549 -9.237 7.404 1.00 0.00 H new ATOM 1470 N LEU A 101 5.491 -6.362 4.897 1.00 0.00 N ATOM 1471 CA LEU A 101 6.205 -6.389 3.624 1.00 0.00 C ATOM 1472 C LEU A 101 7.686 -6.685 3.837 1.00 0.00 C ATOM 1473 O LEU A 101 8.451 -5.816 4.257 1.00 0.00 O ATOM 1474 CB LEU A 101 6.039 -5.054 2.896 1.00 0.00 C ATOM 1475 CG LEU A 101 6.849 -4.887 1.610 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.378 -5.872 0.551 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.744 -3.458 1.096 1.00 0.00 C ATOM 0 H LEU A 101 5.549 -5.474 5.395 1.00 0.00 H new ATOM 0 HA LEU A 101 5.779 -7.185 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.984 -4.922 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.313 -4.252 3.582 1.00 0.00 H new ATOM 0 HG LEU A 101 7.895 -5.097 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.966 -5.738 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.505 -6.890 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.325 -5.694 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.326 -3.357 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.700 -3.221 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.130 -2.771 1.849 1.00 0.00 H new ATOM 1489 N THR A 102 8.086 -7.919 3.542 1.00 0.00 N ATOM 1490 CA THR A 102 9.475 -8.330 3.700 1.00 0.00 C ATOM 1491 C THR A 102 10.249 -8.160 2.398 1.00 0.00 C ATOM 1492 O THR A 102 9.773 -8.540 1.327 1.00 0.00 O ATOM 1493 CB THR A 102 9.578 -9.797 4.158 1.00 0.00 C ATOM 1494 OG1 THR A 102 8.968 -9.952 5.444 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.031 -10.242 4.223 1.00 0.00 C ATOM 0 H THR A 102 7.467 -8.650 3.192 1.00 0.00 H new ATOM 0 HA THR A 102 9.910 -7.687 4.465 1.00 0.00 H new ATOM 0 HB THR A 102 9.056 -10.420 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.036 -10.888 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.079 -11.281 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.484 -10.150 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.572 -9.614 4.931 1.00 0.00 H new ATOM 1503 N ILE A 103 11.445 -7.589 2.496 1.00 0.00 N ATOM 1504 CA ILE A 103 12.286 -7.372 1.326 1.00 0.00 C ATOM 1505 C ILE A 103 13.716 -7.836 1.582 1.00 0.00 C ATOM 1506 O ILE A 103 14.407 -7.299 2.446 1.00 0.00 O ATOM 1507 CB ILE A 103 12.306 -5.888 0.915 1.00 0.00 C ATOM 1508 CG1 ILE A 103 10.885 -5.394 0.637 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.190 -5.688 -0.308 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.784 -3.891 0.497 1.00 0.00 C ATOM 0 H ILE A 103 11.853 -7.268 3.374 1.00 0.00 H new ATOM 0 HA ILE A 103 11.856 -7.960 0.515 1.00 0.00 H new ATOM 0 HB ILE A 103 12.720 -5.305 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.519 -5.861 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.231 -5.720 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.194 -4.634 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.207 -6.006 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.803 -6.281 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.749 -3.613 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.119 -3.416 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.412 -3.560 -0.330 1.00 0.00 H new ATOM 1522 N GLN A 104 14.152 -8.836 0.823 1.00 0.00 N ATOM 1523 CA GLN A 104 15.501 -9.372 0.968 1.00 0.00 C ATOM 1524 C GLN A 104 16.433 -8.794 -0.092 1.00 0.00 C ATOM 1525 O GLN A 104 15.983 -8.324 -1.137 1.00 0.00 O ATOM 1526 CB GLN A 104 15.480 -10.898 0.867 1.00 0.00 C ATOM 1527 CG GLN A 104 14.726 -11.572 2.003 1.00 0.00 C ATOM 1528 CD GLN A 104 15.435 -11.436 3.336 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.646 -11.643 3.432 1.00 0.00 O ATOM 1530 NE2 GLN A 104 14.684 -11.087 4.374 1.00 0.00 N ATOM 0 H GLN A 104 13.592 -9.291 0.102 1.00 0.00 H new ATOM 0 HA GLN A 104 15.875 -9.085 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.025 -11.185 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.505 -11.267 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.729 -11.138 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.596 -12.629 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.685 -10.925 4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.106 -10.981 5.296 1.00 0.00 H new ATOM 1539 N GLU A 105 17.732 -8.831 0.185 1.00 0.00 N ATOM 1540 CA GLU A 105 18.727 -8.309 -0.745 1.00 0.00 C ATOM 1541 C GLU A 105 18.968 -9.289 -1.890 1.00 0.00 C ATOM 1542 O GLU A 105 18.517 -10.434 -1.847 1.00 0.00 O ATOM 1543 CB GLU A 105 20.041 -8.027 -0.015 1.00 0.00 C ATOM 1544 CG GLU A 105 20.113 -6.637 0.594 1.00 0.00 C ATOM 1545 CD GLU A 105 20.470 -5.571 -0.423 1.00 0.00 C ATOM 1546 OE1 GLU A 105 21.545 -5.687 -1.050 1.00 0.00 O ATOM 1547 OE2 GLU A 105 19.677 -4.621 -0.593 1.00 0.00 O ATOM 0 H GLU A 105 18.120 -9.217 1.046 1.00 0.00 H new ATOM 0 HA GLU A 105 18.344 -7.377 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.175 -8.767 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.869 -8.152 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.152 -6.393 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.854 -6.633 1.394 1.00 0.00 H new ATOM 1554 N SER A 106 19.683 -8.831 -2.912 1.00 0.00 N ATOM 1555 CA SER A 106 19.981 -9.665 -4.071 1.00 0.00 C ATOM 1556 C SER A 106 21.483 -9.711 -4.335 1.00 0.00 C ATOM 1557 O SER A 106 22.242 -8.900 -3.806 1.00 0.00 O ATOM 1558 CB SER A 106 19.251 -9.137 -5.307 1.00 0.00 C ATOM 1559 OG SER A 106 19.749 -7.867 -5.690 1.00 0.00 O ATOM 0 H SER A 106 20.067 -7.887 -2.962 1.00 0.00 H new ATOM 0 HA SER A 106 19.635 -10.677 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 106 19.369 -9.841 -6.131 1.00 0.00 H new ATOM 0 HB3 SER A 106 18.183 -9.065 -5.099 1.00 0.00 H new ATOM 0 HG SER A 106 19.267 -7.552 -6.483 1.00 0.00 H new ATOM 1565 N SER A 107 21.904 -10.668 -5.156 1.00 0.00 N ATOM 1566 CA SER A 107 23.315 -10.825 -5.487 1.00 0.00 C ATOM 1567 C SER A 107 23.977 -9.467 -5.701 1.00 0.00 C ATOM 1568 O SER A 107 23.370 -8.547 -6.250 1.00 0.00 O ATOM 1569 CB SER A 107 23.473 -11.685 -6.743 1.00 0.00 C ATOM 1570 OG SER A 107 24.735 -12.329 -6.764 1.00 0.00 O ATOM 0 H SER A 107 21.288 -11.346 -5.604 1.00 0.00 H new ATOM 0 HA SER A 107 23.806 -11.322 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.680 -12.431 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 107 23.364 -11.062 -7.631 1.00 0.00 H new ATOM 0 HG SER A 107 24.811 -12.874 -7.575 1.00 0.00 H new ATOM 1576 N GLY A 108 25.226 -9.348 -5.262 1.00 0.00 N ATOM 1577 CA GLY A 108 25.951 -8.100 -5.413 1.00 0.00 C ATOM 1578 C GLY A 108 27.412 -8.228 -5.032 1.00 0.00 C ATOM 1579 O GLY A 108 28.018 -9.293 -5.157 1.00 0.00 O ATOM 0 H GLY A 108 25.749 -10.094 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.877 -7.763 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.483 -7.335 -4.794 1.00 0.00 H new ATOM 1583 N PRO A 109 28.002 -7.122 -4.555 1.00 0.00 N ATOM 1584 CA PRO A 109 29.410 -7.089 -4.146 1.00 0.00 C ATOM 1585 C PRO A 109 29.662 -7.890 -2.873 1.00 0.00 C ATOM 1586 O PRO A 109 30.770 -7.889 -2.337 1.00 0.00 O ATOM 1587 CB PRO A 109 29.674 -5.601 -3.903 1.00 0.00 C ATOM 1588 CG PRO A 109 28.338 -5.027 -3.577 1.00 0.00 C ATOM 1589 CD PRO A 109 27.341 -5.818 -4.379 1.00 0.00 C ATOM 0 HA PRO A 109 30.063 -7.535 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 109 30.379 -5.453 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 109 30.104 -5.126 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 109 28.130 -5.104 -2.510 1.00 0.00 H new ATOM 0 HG3 PRO A 109 28.294 -3.969 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 109 26.391 -5.917 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 109 27.128 -5.343 -5.337 1.00 0.00 H new ATOM 1597 N SER A 110 28.627 -8.573 -2.395 1.00 0.00 N ATOM 1598 CA SER A 110 28.736 -9.376 -1.182 1.00 0.00 C ATOM 1599 C SER A 110 30.150 -9.927 -1.021 1.00 0.00 C ATOM 1600 O SER A 110 30.787 -9.737 0.015 1.00 0.00 O ATOM 1601 CB SER A 110 27.729 -10.527 -1.215 1.00 0.00 C ATOM 1602 OG SER A 110 26.400 -10.044 -1.122 1.00 0.00 O ATOM 0 H SER A 110 27.704 -8.587 -2.829 1.00 0.00 H new ATOM 0 HA SER A 110 28.515 -8.734 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.850 -11.094 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 110 27.929 -11.213 -0.392 1.00 0.00 H new ATOM 0 HG SER A 110 25.775 -10.799 -1.147 1.00 0.00 H new ATOM 1608 N SER A 111 30.633 -10.611 -2.053 1.00 0.00 N ATOM 1609 CA SER A 111 31.970 -11.193 -2.026 1.00 0.00 C ATOM 1610 C SER A 111 32.858 -10.565 -3.095 1.00 0.00 C ATOM 1611 O SER A 111 32.416 -10.313 -4.215 1.00 0.00 O ATOM 1612 CB SER A 111 31.894 -12.707 -2.233 1.00 0.00 C ATOM 1613 OG SER A 111 31.198 -13.333 -1.170 1.00 0.00 O ATOM 0 H SER A 111 30.119 -10.776 -2.918 1.00 0.00 H new ATOM 0 HA SER A 111 32.409 -10.989 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 111 31.393 -12.923 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 111 32.901 -13.118 -2.305 1.00 0.00 H new ATOM 0 HG SER A 111 31.162 -14.300 -1.327 1.00 0.00 H new ATOM 1619 N GLY A 112 34.115 -10.316 -2.741 1.00 0.00 N ATOM 1620 CA GLY A 112 35.046 -9.720 -3.680 1.00 0.00 C ATOM 1621 C GLY A 112 36.491 -10.019 -3.333 1.00 0.00 C ATOM 1622 O GLY A 112 36.861 -11.176 -3.133 1.00 0.00 O ATOM 0 H GLY A 112 34.505 -10.517 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 112 34.832 -10.090 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 112 34.896 -8.641 -3.700 1.00 0.00 H new TER 1626 GLY A 112