USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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 11 CYS SG : rot 62:sc= 0.338 USER MOD Set 1.2: A 63 MET CE :methyl -176:sc= -0.777 (180deg=-0.784) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 1.07 (180deg=-0.0708) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00485 USER MOD Single : A 17 SER OG : rot 11:sc= 0.894 USER MOD Single : A 19 ASN : amide:sc= 0.0218 X(o=0.022,f=0) USER MOD Single : A 20 THR OG1 : rot -74:sc= 1.23 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.139 K(o=-0.14,f=-5.3!) USER MOD Single : A 46 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 89:sc= 1.22 USER MOD Single : A 59 ASN : amide:sc=-0.00886 X(o=-0.0089,f=-0.0089) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 64 GLN : amide:sc= 1.18 K(o=1.2,f=-0.36) USER MOD Single : A 70 MET CE :methyl 151:sc= 0 (180deg=-0.494) USER MOD Single : A 71 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -143:sc= 0.294 (180deg=0.00513) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 86 GLN : amide:sc= 0.564 K(o=0.56,f=-0.32) USER MOD Single : A 87 SER OG : rot -74:sc= 0.949 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.864 -10.043 -7.070 1.00 0.00 N ATOM 2 CA MET A 1 8.649 -11.245 -7.901 1.00 0.00 C ATOM 3 C MET A 1 9.289 -11.008 -9.274 1.00 0.00 C ATOM 4 O MET A 1 10.492 -10.743 -9.305 1.00 0.00 O ATOM 5 CB MET A 1 7.172 -11.673 -7.919 1.00 0.00 C ATOM 6 CG MET A 1 6.645 -12.058 -6.530 1.00 0.00 C ATOM 7 SD MET A 1 7.600 -13.338 -5.676 1.00 0.00 S ATOM 8 CE MET A 1 6.679 -13.399 -4.117 1.00 0.00 C ATOM 0 H1 MET A 1 7.979 -9.795 -6.582 1.00 0.00 H new ATOM 0 H2 MET A 1 9.605 -10.236 -6.366 1.00 0.00 H new ATOM 0 H3 MET A 1 9.159 -9.251 -7.675 1.00 0.00 H new ATOM 0 HA MET A 1 9.148 -12.112 -7.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.568 -10.858 -8.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.052 -12.520 -8.595 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.624 -11.165 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.615 -12.401 -6.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.129 -14.141 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.711 -12.421 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.643 -13.671 -4.317 1.00 0.00 H new ATOM 20 N ALA A 2 8.570 -11.046 -10.407 1.00 0.00 N ATOM 21 CA ALA A 2 9.133 -10.717 -11.724 1.00 0.00 C ATOM 22 C ALA A 2 8.569 -9.385 -12.260 1.00 0.00 C ATOM 23 O ALA A 2 7.648 -9.334 -13.080 1.00 0.00 O ATOM 24 CB ALA A 2 8.885 -11.902 -12.668 1.00 0.00 C ATOM 0 H ALA A 2 7.584 -11.305 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 2 10.209 -10.561 -11.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.296 -11.676 -13.652 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.369 -12.793 -12.268 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.813 -12.080 -12.755 1.00 0.00 H new ATOM 30 N GLU A 3 9.204 -8.287 -11.847 1.00 0.00 N ATOM 31 CA GLU A 3 8.892 -6.918 -12.276 1.00 0.00 C ATOM 32 C GLU A 3 9.987 -6.391 -13.222 1.00 0.00 C ATOM 33 O GLU A 3 10.972 -5.806 -12.765 1.00 0.00 O ATOM 34 CB GLU A 3 8.683 -5.994 -11.055 1.00 0.00 C ATOM 35 CG GLU A 3 7.547 -6.422 -10.103 1.00 0.00 C ATOM 36 CD GLU A 3 7.845 -7.699 -9.297 1.00 0.00 C ATOM 37 OE1 GLU A 3 8.986 -7.884 -8.810 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.943 -8.557 -9.152 1.00 0.00 O ATOM 0 H GLU A 3 9.976 -8.325 -11.182 1.00 0.00 H new ATOM 0 HA GLU A 3 7.955 -6.927 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.613 -5.948 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.477 -4.985 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.344 -5.607 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.639 -6.578 -10.686 1.00 0.00 H new ATOM 45 N SER A 4 9.860 -6.634 -14.530 1.00 0.00 N ATOM 46 CA SER A 4 10.780 -6.139 -15.576 1.00 0.00 C ATOM 47 C SER A 4 10.382 -4.749 -16.115 1.00 0.00 C ATOM 48 O SER A 4 9.444 -4.130 -15.616 1.00 0.00 O ATOM 49 CB SER A 4 10.866 -7.186 -16.693 1.00 0.00 C ATOM 50 OG SER A 4 11.379 -8.414 -16.198 1.00 0.00 O ATOM 0 H SER A 4 9.096 -7.195 -14.908 1.00 0.00 H new ATOM 0 HA SER A 4 11.766 -5.999 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.877 -7.347 -17.123 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.506 -6.817 -17.495 1.00 0.00 H new ATOM 0 HG SER A 4 11.424 -9.067 -16.927 1.00 0.00 H new ATOM 56 N ASP A 5 11.074 -4.240 -17.142 1.00 0.00 N ATOM 57 CA ASP A 5 10.832 -2.912 -17.748 1.00 0.00 C ATOM 58 C ASP A 5 9.423 -2.736 -18.367 1.00 0.00 C ATOM 59 O ASP A 5 8.962 -1.603 -18.522 1.00 0.00 O ATOM 60 CB ASP A 5 11.904 -2.627 -18.817 1.00 0.00 C ATOM 61 CG ASP A 5 13.256 -2.201 -18.237 1.00 0.00 C ATOM 62 OD1 ASP A 5 13.442 -0.993 -17.960 1.00 0.00 O ATOM 63 OD2 ASP A 5 14.169 -3.056 -18.122 1.00 0.00 O ATOM 0 H ASP A 5 11.837 -4.747 -17.590 1.00 0.00 H new ATOM 0 HA ASP A 5 10.892 -2.195 -16.929 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.045 -3.521 -19.424 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.541 -1.844 -19.482 1.00 0.00 H new ATOM 68 N GLY A 6 8.717 -3.824 -18.701 1.00 0.00 N ATOM 69 CA GLY A 6 7.291 -3.792 -19.065 1.00 0.00 C ATOM 70 C GLY A 6 6.343 -3.742 -17.861 1.00 0.00 C ATOM 71 O GLY A 6 5.237 -3.207 -17.955 1.00 0.00 O ATOM 0 H GLY A 6 9.121 -4.760 -18.727 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.107 -2.923 -19.696 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.059 -4.674 -19.662 1.00 0.00 H new ATOM 75 N ALA A 7 6.781 -4.235 -16.706 1.00 0.00 N ATOM 76 CA ALA A 7 6.052 -4.213 -15.444 1.00 0.00 C ATOM 77 C ALA A 7 6.402 -2.970 -14.602 1.00 0.00 C ATOM 78 O ALA A 7 6.955 -1.983 -15.100 1.00 0.00 O ATOM 79 CB ALA A 7 6.325 -5.543 -14.732 1.00 0.00 C ATOM 0 H ALA A 7 7.695 -4.680 -16.622 1.00 0.00 H new ATOM 0 HA ALA A 7 4.979 -4.123 -15.616 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.794 -5.562 -13.781 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.981 -6.367 -15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.395 -5.646 -14.552 1.00 0.00 H new ATOM 85 N GLU A 8 6.002 -2.966 -13.332 1.00 0.00 N ATOM 86 CA GLU A 8 6.199 -1.838 -12.423 1.00 0.00 C ATOM 87 C GLU A 8 6.589 -2.278 -11.008 1.00 0.00 C ATOM 88 O GLU A 8 5.959 -3.166 -10.437 1.00 0.00 O ATOM 89 CB GLU A 8 4.958 -0.917 -12.459 1.00 0.00 C ATOM 90 CG GLU A 8 3.578 -1.612 -12.347 1.00 0.00 C ATOM 91 CD GLU A 8 2.415 -0.611 -12.401 1.00 0.00 C ATOM 92 OE1 GLU A 8 2.501 0.426 -13.104 1.00 0.00 O ATOM 93 OE2 GLU A 8 1.368 -0.875 -11.766 1.00 0.00 O ATOM 0 H GLU A 8 5.525 -3.757 -12.899 1.00 0.00 H new ATOM 0 HA GLU A 8 7.054 -1.259 -12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.044 -0.197 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.980 -0.351 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.471 -2.334 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.530 -2.171 -11.413 1.00 0.00 H new ATOM 100 N TYR A 9 7.590 -1.617 -10.407 1.00 0.00 N ATOM 101 CA TYR A 9 7.846 -1.714 -8.965 1.00 0.00 C ATOM 102 C TYR A 9 6.888 -0.759 -8.232 1.00 0.00 C ATOM 103 O TYR A 9 7.243 0.299 -7.701 1.00 0.00 O ATOM 104 CB TYR A 9 9.345 -1.539 -8.642 1.00 0.00 C ATOM 105 CG TYR A 9 10.162 -0.603 -9.520 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.788 -1.100 -10.679 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.356 0.741 -9.148 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.617 -0.266 -11.454 1.00 0.00 C ATOM 109 CE2 TYR A 9 11.176 1.585 -9.928 1.00 0.00 C ATOM 110 CZ TYR A 9 11.823 1.077 -11.076 1.00 0.00 C ATOM 111 OH TYR A 9 12.649 1.863 -11.818 1.00 0.00 O ATOM 0 H TYR A 9 8.239 -1.006 -10.903 1.00 0.00 H new ATOM 0 HA TYR A 9 7.628 -2.715 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.426 -1.187 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.811 -2.523 -8.679 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.632 -2.127 -10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.875 1.128 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.096 -0.656 -12.340 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.309 2.619 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 9 12.684 2.761 -11.427 1.00 0.00 H new ATOM 121 N ARG A 10 5.632 -1.211 -8.232 1.00 0.00 N ATOM 122 CA ARG A 10 4.421 -0.605 -7.677 1.00 0.00 C ATOM 123 C ARG A 10 3.538 -1.752 -7.177 1.00 0.00 C ATOM 124 O ARG A 10 3.387 -2.751 -7.885 1.00 0.00 O ATOM 125 CB ARG A 10 3.777 0.232 -8.800 1.00 0.00 C ATOM 126 CG ARG A 10 2.460 0.940 -8.451 1.00 0.00 C ATOM 127 CD ARG A 10 2.080 1.893 -9.596 1.00 0.00 C ATOM 128 NE ARG A 10 0.720 2.436 -9.445 1.00 0.00 N ATOM 129 CZ ARG A 10 -0.398 1.857 -9.847 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.441 0.706 -10.445 1.00 0.00 N ATOM 131 NH2 ARG A 10 -1.551 2.410 -9.651 1.00 0.00 N ATOM 0 H ARG A 10 5.416 -2.107 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 10 4.601 0.063 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.496 0.986 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.598 -0.421 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.669 0.206 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.568 1.496 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.795 2.715 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.154 1.363 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 10 0.632 3.343 -8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.422 0.194 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.338 0.313 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.610 3.311 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.401 1.945 -9.970 1.00 0.00 H new ATOM 145 N CYS A 11 2.978 -1.656 -5.974 1.00 0.00 N ATOM 146 CA CYS A 11 2.249 -2.765 -5.349 1.00 0.00 C ATOM 147 C CYS A 11 0.879 -2.348 -4.792 1.00 0.00 C ATOM 148 O CYS A 11 0.670 -1.203 -4.393 1.00 0.00 O ATOM 149 CB CYS A 11 3.174 -3.501 -4.354 1.00 0.00 C ATOM 150 SG CYS A 11 2.878 -3.123 -2.601 1.00 0.00 S ATOM 0 H CYS A 11 3.014 -0.811 -5.403 1.00 0.00 H new ATOM 0 HA CYS A 11 1.980 -3.492 -6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.060 -4.575 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.208 -3.254 -4.593 1.00 0.00 H new ATOM 0 HG CYS A 11 1.675 -3.493 -2.274 1.00 0.00 H new ATOM 156 N PHE A 12 -0.050 -3.301 -4.769 1.00 0.00 N ATOM 157 CA PHE A 12 -1.308 -3.241 -4.029 1.00 0.00 C ATOM 158 C PHE A 12 -1.035 -3.379 -2.524 1.00 0.00 C ATOM 159 O PHE A 12 -0.171 -4.164 -2.120 1.00 0.00 O ATOM 160 CB PHE A 12 -2.215 -4.376 -4.532 1.00 0.00 C ATOM 161 CG PHE A 12 -3.505 -4.576 -3.756 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.661 -3.850 -4.100 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.556 -5.507 -2.699 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.862 -4.061 -3.397 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.754 -5.711 -1.992 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.909 -4.990 -2.344 1.00 0.00 C ATOM 0 H PHE A 12 0.058 -4.173 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.803 -2.283 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.465 -4.182 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.649 -5.307 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.626 -3.130 -4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.671 -6.066 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.749 -3.508 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.787 -6.421 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.831 -5.150 -1.805 1.00 0.00 H new ATOM 176 N VAL A 13 -1.778 -2.627 -1.712 1.00 0.00 N ATOM 177 CA VAL A 13 -1.660 -2.586 -0.248 1.00 0.00 C ATOM 178 C VAL A 13 -3.058 -2.708 0.366 1.00 0.00 C ATOM 179 O VAL A 13 -3.798 -1.727 0.440 1.00 0.00 O ATOM 180 CB VAL A 13 -0.958 -1.284 0.206 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.713 -1.271 1.719 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.411 -1.083 -0.454 1.00 0.00 C ATOM 0 H VAL A 13 -2.506 -2.006 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.047 -3.420 0.095 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.639 -0.487 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.218 -0.341 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.666 -1.347 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.080 -2.115 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.854 -0.154 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.064 -1.918 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.290 -1.034 -1.536 1.00 0.00 H new ATOM 192 N GLY A 14 -3.428 -3.910 0.807 1.00 0.00 N ATOM 193 CA GLY A 14 -4.660 -4.168 1.564 1.00 0.00 C ATOM 194 C GLY A 14 -4.420 -4.045 3.070 1.00 0.00 C ATOM 195 O GLY A 14 -3.384 -4.502 3.549 1.00 0.00 O ATOM 0 H GLY A 14 -2.872 -4.750 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.433 -3.463 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.030 -5.167 1.332 1.00 0.00 H new ATOM 199 N SER A 15 -5.316 -3.374 3.805 1.00 0.00 N ATOM 200 CA SER A 15 -5.375 -3.303 5.290 1.00 0.00 C ATOM 201 C SER A 15 -6.361 -2.241 5.778 1.00 0.00 C ATOM 202 O SER A 15 -6.983 -2.409 6.824 1.00 0.00 O ATOM 203 CB SER A 15 -4.033 -2.908 5.943 1.00 0.00 C ATOM 204 OG SER A 15 -3.274 -2.046 5.117 1.00 0.00 O ATOM 0 H SER A 15 -6.063 -2.834 3.367 1.00 0.00 H new ATOM 0 HA SER A 15 -5.670 -4.312 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.225 -2.419 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.455 -3.807 6.156 1.00 0.00 H new ATOM 0 HG SER A 15 -2.434 -1.818 5.567 1.00 0.00 H new ATOM 210 N LEU A 16 -6.455 -1.129 5.046 1.00 0.00 N ATOM 211 CA LEU A 16 -6.945 0.166 5.521 1.00 0.00 C ATOM 212 C LEU A 16 -8.413 0.156 5.994 1.00 0.00 C ATOM 213 O LEU A 16 -9.188 -0.787 5.834 1.00 0.00 O ATOM 214 CB LEU A 16 -6.687 1.243 4.435 1.00 0.00 C ATOM 215 CG LEU A 16 -5.292 1.215 3.778 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.223 2.369 2.790 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.124 1.354 4.750 1.00 0.00 C ATOM 0 H LEU A 16 -6.180 -1.106 4.064 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.380 0.413 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.438 1.130 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.837 2.226 4.882 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.186 0.236 3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.246 2.377 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.000 2.248 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.374 3.310 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.185 1.323 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.202 2.303 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.149 0.535 5.468 1.00 0.00 H new ATOM 229 N SER A 17 -8.805 1.258 6.611 1.00 0.00 N ATOM 230 CA SER A 17 -10.117 1.494 7.233 1.00 0.00 C ATOM 231 C SER A 17 -10.367 3.005 7.277 1.00 0.00 C ATOM 232 O SER A 17 -9.469 3.770 6.927 1.00 0.00 O ATOM 233 CB SER A 17 -10.116 0.879 8.644 1.00 0.00 C ATOM 234 OG SER A 17 -10.148 -0.538 8.558 1.00 0.00 O ATOM 0 H SER A 17 -8.187 2.065 6.702 1.00 0.00 H new ATOM 0 HA SER A 17 -10.917 1.026 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.227 1.198 9.188 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.979 1.237 9.206 1.00 0.00 H new ATOM 0 HG SER A 17 -9.985 -0.813 7.632 1.00 0.00 H new ATOM 240 N TRP A 18 -11.546 3.470 7.701 1.00 0.00 N ATOM 241 CA TRP A 18 -11.874 4.913 7.747 1.00 0.00 C ATOM 242 C TRP A 18 -10.855 5.765 8.546 1.00 0.00 C ATOM 243 O TRP A 18 -10.702 6.960 8.282 1.00 0.00 O ATOM 244 CB TRP A 18 -13.281 5.087 8.343 1.00 0.00 C ATOM 245 CG TRP A 18 -13.334 4.888 9.828 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.503 3.706 10.460 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.104 5.872 10.885 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.357 3.880 11.819 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.077 5.189 12.137 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.867 7.264 10.909 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -12.788 5.841 13.342 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.594 7.934 12.118 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.540 7.224 13.330 1.00 0.00 C ATOM 0 H TRP A 18 -12.303 2.866 8.022 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.832 5.280 6.721 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.646 6.086 8.106 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.958 4.379 7.866 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.720 2.766 9.973 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.446 3.130 12.505 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.895 7.824 9.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.756 5.288 14.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.425 9.001 12.114 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.308 7.740 14.250 1.00 0.00 H new ATOM 264 N ASN A 19 -10.157 5.143 9.506 1.00 0.00 N ATOM 265 CA ASN A 19 -9.122 5.725 10.371 1.00 0.00 C ATOM 266 C ASN A 19 -7.706 5.713 9.747 1.00 0.00 C ATOM 267 O ASN A 19 -6.837 6.477 10.172 1.00 0.00 O ATOM 268 CB ASN A 19 -9.172 4.929 11.690 1.00 0.00 C ATOM 269 CG ASN A 19 -8.222 5.447 12.756 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.490 6.426 13.439 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.085 4.819 12.948 1.00 0.00 N ATOM 0 H ASN A 19 -10.310 4.156 9.712 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.327 6.784 10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.189 4.954 12.080 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.936 3.885 11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.435 5.148 13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.852 4.002 12.384 1.00 0.00 H new ATOM 278 N THR A 20 -7.439 4.846 8.767 1.00 0.00 N ATOM 279 CA THR A 20 -6.156 4.751 8.044 1.00 0.00 C ATOM 280 C THR A 20 -6.149 5.581 6.761 1.00 0.00 C ATOM 281 O THR A 20 -7.187 5.744 6.113 1.00 0.00 O ATOM 282 CB THR A 20 -5.774 3.300 7.689 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.563 2.329 8.344 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.298 3.025 7.976 1.00 0.00 C ATOM 0 H THR A 20 -8.127 4.167 8.440 1.00 0.00 H new ATOM 0 HA THR A 20 -5.417 5.150 8.739 1.00 0.00 H new ATOM 0 HB THR A 20 -5.967 3.211 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.305 2.280 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.063 1.993 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.680 3.700 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.097 3.186 9.035 1.00 0.00 H new ATOM 292 N ASP A 21 -4.972 6.036 6.325 1.00 0.00 N ATOM 293 CA ASP A 21 -4.790 6.593 4.980 1.00 0.00 C ATOM 294 C ASP A 21 -3.375 6.352 4.405 1.00 0.00 C ATOM 295 O ASP A 21 -2.587 5.591 4.974 1.00 0.00 O ATOM 296 CB ASP A 21 -5.178 8.087 4.992 1.00 0.00 C ATOM 297 CG ASP A 21 -4.321 8.928 5.941 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.084 9.009 5.755 1.00 0.00 O ATOM 299 OD2 ASP A 21 -4.887 9.550 6.872 1.00 0.00 O ATOM 0 H ASP A 21 -4.122 6.030 6.889 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.455 6.061 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.088 8.487 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.225 8.181 5.280 1.00 0.00 H new ATOM 304 N ASP A 22 -3.050 6.981 3.266 1.00 0.00 N ATOM 305 CA ASP A 22 -1.774 6.803 2.560 1.00 0.00 C ATOM 306 C ASP A 22 -0.531 7.141 3.405 1.00 0.00 C ATOM 307 O ASP A 22 0.528 6.555 3.186 1.00 0.00 O ATOM 308 CB ASP A 22 -1.726 7.638 1.263 1.00 0.00 C ATOM 309 CG ASP A 22 -2.042 9.124 1.440 1.00 0.00 C ATOM 310 OD1 ASP A 22 -3.204 9.482 1.740 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.122 9.949 1.236 1.00 0.00 O ATOM 0 H ASP A 22 -3.677 7.638 2.802 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.737 5.738 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.733 7.543 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.432 7.214 0.549 1.00 0.00 H new ATOM 316 N ARG A 23 -0.635 8.051 4.382 1.00 0.00 N ATOM 317 CA ARG A 23 0.518 8.453 5.216 1.00 0.00 C ATOM 318 C ARG A 23 1.027 7.301 6.085 1.00 0.00 C ATOM 319 O ARG A 23 2.241 7.144 6.220 1.00 0.00 O ATOM 320 CB ARG A 23 0.167 9.680 6.075 1.00 0.00 C ATOM 321 CG ARG A 23 1.413 10.380 6.645 1.00 0.00 C ATOM 322 CD ARG A 23 1.008 11.559 7.533 1.00 0.00 C ATOM 323 NE ARG A 23 2.134 12.472 7.807 1.00 0.00 N ATOM 324 CZ ARG A 23 2.195 13.360 8.784 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.260 13.464 9.678 1.00 0.00 N ATOM 326 NH2 ARG A 23 3.191 14.190 8.879 1.00 0.00 N ATOM 0 H ARG A 23 -1.505 8.527 4.619 1.00 0.00 H new ATOM 0 HA ARG A 23 1.329 8.726 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.400 10.390 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.479 9.371 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.004 9.669 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.045 10.732 5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.204 12.114 7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.613 11.181 8.476 1.00 0.00 H new ATOM 0 HE ARG A 23 2.940 12.412 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.447 12.849 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.338 14.160 10.419 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.944 14.163 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.219 14.868 9.641 1.00 0.00 H new ATOM 340 N GLY A 24 0.120 6.490 6.632 1.00 0.00 N ATOM 341 CA GLY A 24 0.438 5.354 7.500 1.00 0.00 C ATOM 342 C GLY A 24 1.144 4.217 6.760 1.00 0.00 C ATOM 343 O GLY A 24 2.162 3.714 7.245 1.00 0.00 O ATOM 0 H GLY A 24 -0.882 6.608 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.071 5.695 8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.482 4.975 7.945 1.00 0.00 H new ATOM 347 N LEU A 25 0.667 3.857 5.558 1.00 0.00 N ATOM 348 CA LEU A 25 1.381 2.891 4.710 1.00 0.00 C ATOM 349 C LEU A 25 2.699 3.467 4.164 1.00 0.00 C ATOM 350 O LEU A 25 3.708 2.769 4.195 1.00 0.00 O ATOM 351 CB LEU A 25 0.461 2.255 3.641 1.00 0.00 C ATOM 352 CG LEU A 25 0.108 3.112 2.407 1.00 0.00 C ATOM 353 CD1 LEU A 25 1.098 2.884 1.261 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.288 2.764 1.886 1.00 0.00 C ATOM 0 H LEU A 25 -0.199 4.215 5.156 1.00 0.00 H new ATOM 0 HA LEU A 25 1.682 2.055 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.936 1.339 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.470 1.965 4.127 1.00 0.00 H new ATOM 0 HG LEU A 25 0.149 4.152 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.818 3.504 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.102 3.151 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.079 1.834 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.516 3.380 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.319 1.712 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.025 2.952 2.667 1.00 0.00 H new ATOM 366 N GLU A 26 2.749 4.744 3.757 1.00 0.00 N ATOM 367 CA GLU A 26 4.003 5.401 3.350 1.00 0.00 C ATOM 368 C GLU A 26 5.060 5.303 4.463 1.00 0.00 C ATOM 369 O GLU A 26 6.188 4.900 4.193 1.00 0.00 O ATOM 370 CB GLU A 26 3.730 6.866 2.953 1.00 0.00 C ATOM 371 CG GLU A 26 4.989 7.637 2.513 1.00 0.00 C ATOM 372 CD GLU A 26 4.705 9.130 2.311 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.259 9.790 3.283 1.00 0.00 O ATOM 374 OE2 GLU A 26 4.955 9.673 1.207 1.00 0.00 O ATOM 0 H GLU A 26 1.929 5.348 3.700 1.00 0.00 H new ATOM 0 HA GLU A 26 4.404 4.884 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.003 6.883 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.276 7.383 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.770 7.515 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.369 7.211 1.584 1.00 0.00 H new ATOM 381 N ALA A 27 4.691 5.567 5.721 1.00 0.00 N ATOM 382 CA ALA A 27 5.600 5.470 6.864 1.00 0.00 C ATOM 383 C ALA A 27 6.096 4.035 7.139 1.00 0.00 C ATOM 384 O ALA A 27 7.239 3.856 7.571 1.00 0.00 O ATOM 385 CB ALA A 27 4.880 6.060 8.083 1.00 0.00 C ATOM 0 H ALA A 27 3.746 5.856 5.975 1.00 0.00 H new ATOM 0 HA ALA A 27 6.505 6.034 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.533 6.003 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.627 7.102 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.968 5.495 8.275 1.00 0.00 H new ATOM 391 N ALA A 28 5.284 3.014 6.843 1.00 0.00 N ATOM 392 CA ALA A 28 5.683 1.610 6.959 1.00 0.00 C ATOM 393 C ALA A 28 6.626 1.173 5.816 1.00 0.00 C ATOM 394 O ALA A 28 7.572 0.422 6.060 1.00 0.00 O ATOM 395 CB ALA A 28 4.421 0.740 7.052 1.00 0.00 C ATOM 0 H ALA A 28 4.327 3.141 6.515 1.00 0.00 H new ATOM 0 HA ALA A 28 6.265 1.478 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.707 -0.308 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.842 1.032 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.817 0.878 6.155 1.00 0.00 H new ATOM 401 N PHE A 29 6.429 1.668 4.586 1.00 0.00 N ATOM 402 CA PHE A 29 7.293 1.368 3.431 1.00 0.00 C ATOM 403 C PHE A 29 8.565 2.242 3.346 1.00 0.00 C ATOM 404 O PHE A 29 9.570 1.802 2.781 1.00 0.00 O ATOM 405 CB PHE A 29 6.465 1.461 2.133 1.00 0.00 C ATOM 406 CG PHE A 29 5.597 0.253 1.795 1.00 0.00 C ATOM 407 CD1 PHE A 29 6.164 -0.853 1.135 1.00 0.00 C ATOM 408 CD2 PHE A 29 4.218 0.243 2.076 1.00 0.00 C ATOM 409 CE1 PHE A 29 5.371 -1.953 0.763 1.00 0.00 C ATOM 410 CE2 PHE A 29 3.425 -0.866 1.727 1.00 0.00 C ATOM 411 CZ PHE A 29 4.000 -1.963 1.065 1.00 0.00 C ATOM 0 H PHE A 29 5.657 2.295 4.361 1.00 0.00 H new ATOM 0 HA PHE A 29 7.661 0.351 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.820 2.337 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.150 1.633 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.221 -0.857 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.765 1.093 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.816 -2.790 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.372 -0.873 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.390 -2.811 0.789 1.00 0.00 H new ATOM 421 N SER A 30 8.573 3.441 3.939 1.00 0.00 N ATOM 422 CA SER A 30 9.686 4.404 3.848 1.00 0.00 C ATOM 423 C SER A 30 11.025 3.870 4.388 1.00 0.00 C ATOM 424 O SER A 30 12.087 4.309 3.945 1.00 0.00 O ATOM 425 CB SER A 30 9.288 5.691 4.584 1.00 0.00 C ATOM 426 OG SER A 30 10.226 6.732 4.387 1.00 0.00 O ATOM 0 H SER A 30 7.795 3.779 4.506 1.00 0.00 H new ATOM 0 HA SER A 30 9.857 4.596 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.308 6.017 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.196 5.484 5.650 1.00 0.00 H new ATOM 0 HG SER A 30 9.933 7.532 4.871 1.00 0.00 H new ATOM 432 N SER A 31 11.013 2.865 5.277 1.00 0.00 N ATOM 433 CA SER A 31 12.257 2.272 5.806 1.00 0.00 C ATOM 434 C SER A 31 12.955 1.325 4.815 1.00 0.00 C ATOM 435 O SER A 31 14.105 0.941 5.039 1.00 0.00 O ATOM 436 CB SER A 31 12.025 1.584 7.155 1.00 0.00 C ATOM 437 OG SER A 31 11.491 0.284 6.982 1.00 0.00 O ATOM 0 H SER A 31 10.160 2.445 5.646 1.00 0.00 H new ATOM 0 HA SER A 31 12.939 3.108 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.966 1.524 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.343 2.183 7.759 1.00 0.00 H new ATOM 0 HG SER A 31 11.354 -0.133 7.858 1.00 0.00 H new ATOM 443 N PHE A 32 12.283 0.957 3.717 1.00 0.00 N ATOM 444 CA PHE A 32 12.835 0.139 2.633 1.00 0.00 C ATOM 445 C PHE A 32 13.373 0.980 1.468 1.00 0.00 C ATOM 446 O PHE A 32 14.251 0.507 0.746 1.00 0.00 O ATOM 447 CB PHE A 32 11.772 -0.851 2.140 1.00 0.00 C ATOM 448 CG PHE A 32 11.348 -1.876 3.173 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.297 -1.593 4.066 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.000 -3.123 3.234 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.897 -2.551 5.014 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.595 -4.083 4.177 1.00 0.00 C ATOM 453 CZ PHE A 32 10.545 -3.796 5.065 1.00 0.00 C ATOM 0 H PHE A 32 11.313 1.228 3.555 1.00 0.00 H new ATOM 0 HA PHE A 32 13.687 -0.407 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.893 -0.292 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.157 -1.373 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.796 -0.637 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.812 -3.341 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.094 -2.330 5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.091 -5.041 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.235 -4.535 5.789 1.00 0.00 H new ATOM 463 N GLY A 33 12.890 2.213 1.270 1.00 0.00 N ATOM 464 CA GLY A 33 13.432 3.104 0.239 1.00 0.00 C ATOM 465 C GLY A 33 12.694 4.431 0.057 1.00 0.00 C ATOM 466 O GLY A 33 11.736 4.756 0.761 1.00 0.00 O ATOM 0 H GLY A 33 12.125 2.615 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.473 3.318 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.428 2.573 -0.713 1.00 0.00 H new ATOM 470 N GLU A 34 13.153 5.210 -0.923 1.00 0.00 N ATOM 471 CA GLU A 34 12.549 6.490 -1.302 1.00 0.00 C ATOM 472 C GLU A 34 11.234 6.267 -2.076 1.00 0.00 C ATOM 473 O GLU A 34 11.244 5.699 -3.175 1.00 0.00 O ATOM 474 CB GLU A 34 13.542 7.313 -2.141 1.00 0.00 C ATOM 475 CG GLU A 34 14.756 7.847 -1.358 1.00 0.00 C ATOM 476 CD GLU A 34 15.830 6.804 -1.002 1.00 0.00 C ATOM 477 OE1 GLU A 34 16.152 5.921 -1.836 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.420 6.891 0.102 1.00 0.00 O ATOM 0 H GLU A 34 13.968 4.966 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 34 12.313 7.046 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.901 6.695 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.012 8.157 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.224 8.638 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.398 8.303 -0.435 1.00 0.00 H new ATOM 485 N ILE A 35 10.108 6.709 -1.512 1.00 0.00 N ATOM 486 CA ILE A 35 8.765 6.565 -2.099 1.00 0.00 C ATOM 487 C ILE A 35 8.476 7.638 -3.158 1.00 0.00 C ATOM 488 O ILE A 35 8.860 8.801 -3.008 1.00 0.00 O ATOM 489 CB ILE A 35 7.695 6.532 -0.975 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.777 5.229 -0.150 1.00 0.00 C ATOM 491 CG2 ILE A 35 6.250 6.723 -1.480 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.576 3.946 -0.968 1.00 0.00 C ATOM 0 H ILE A 35 10.100 7.189 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 35 8.723 5.614 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 35 7.933 7.387 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.750 5.184 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.025 5.264 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.562 6.688 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.163 7.688 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.002 5.928 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.649 3.080 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.592 3.964 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.344 3.882 -1.739 1.00 0.00 H new ATOM 504 N LEU A 36 7.749 7.232 -4.207 1.00 0.00 N ATOM 505 CA LEU A 36 7.167 8.117 -5.217 1.00 0.00 C ATOM 506 C LEU A 36 5.677 8.387 -4.954 1.00 0.00 C ATOM 507 O LEU A 36 5.253 9.542 -5.002 1.00 0.00 O ATOM 508 CB LEU A 36 7.368 7.518 -6.622 1.00 0.00 C ATOM 509 CG LEU A 36 8.828 7.281 -7.053 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.845 6.723 -8.475 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.682 8.550 -7.032 1.00 0.00 C ATOM 0 H LEU A 36 7.545 6.248 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 36 7.684 9.075 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.837 6.567 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.899 8.181 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 36 9.255 6.583 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.875 6.553 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.297 5.781 -8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.374 7.436 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.698 8.310 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.256 9.287 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.702 8.959 -6.022 1.00 0.00 H new ATOM 523 N ASP A 37 4.878 7.365 -4.621 1.00 0.00 N ATOM 524 CA ASP A 37 3.415 7.489 -4.480 1.00 0.00 C ATOM 525 C ASP A 37 2.829 6.583 -3.392 1.00 0.00 C ATOM 526 O ASP A 37 3.295 5.454 -3.220 1.00 0.00 O ATOM 527 CB ASP A 37 2.708 7.111 -5.793 1.00 0.00 C ATOM 528 CG ASP A 37 3.005 8.055 -6.951 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.370 9.137 -7.023 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.811 7.685 -7.833 1.00 0.00 O ATOM 0 H ASP A 37 5.226 6.423 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 37 3.245 8.531 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.005 6.101 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.632 7.091 -5.621 1.00 0.00 H new ATOM 535 N ALA A 38 1.732 7.020 -2.759 1.00 0.00 N ATOM 536 CA ALA A 38 0.800 6.175 -2.028 1.00 0.00 C ATOM 537 C ALA A 38 -0.642 6.663 -2.294 1.00 0.00 C ATOM 538 O ALA A 38 -0.943 7.853 -2.143 1.00 0.00 O ATOM 539 CB ALA A 38 1.187 6.200 -0.545 1.00 0.00 C ATOM 0 H ALA A 38 1.467 8.005 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 38 0.846 5.138 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.499 5.572 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.203 5.823 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.134 7.223 -0.172 1.00 0.00 H new ATOM 545 N LYS A 39 -1.537 5.757 -2.701 1.00 0.00 N ATOM 546 CA LYS A 39 -2.985 5.987 -2.880 1.00 0.00 C ATOM 547 C LYS A 39 -3.754 5.329 -1.743 1.00 0.00 C ATOM 548 O LYS A 39 -3.314 4.328 -1.189 1.00 0.00 O ATOM 549 CB LYS A 39 -3.447 5.449 -4.250 1.00 0.00 C ATOM 550 CG LYS A 39 -4.952 5.586 -4.593 1.00 0.00 C ATOM 551 CD LYS A 39 -5.415 7.049 -4.703 1.00 0.00 C ATOM 552 CE LYS A 39 -6.892 7.136 -5.113 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.327 8.549 -5.246 1.00 0.00 N ATOM 0 H LYS A 39 -1.266 4.800 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.186 7.058 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.876 5.961 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.183 4.393 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.152 5.076 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.541 5.081 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.270 7.552 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.800 7.573 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.041 6.616 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.509 6.631 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.329 8.579 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.205 9.037 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.752 9.022 -5.972 1.00 0.00 H new ATOM 567 N ILE A 40 -4.929 5.870 -1.446 1.00 0.00 N ATOM 568 CA ILE A 40 -5.943 5.267 -0.586 1.00 0.00 C ATOM 569 C ILE A 40 -7.330 5.474 -1.206 1.00 0.00 C ATOM 570 O ILE A 40 -7.601 6.544 -1.754 1.00 0.00 O ATOM 571 CB ILE A 40 -5.812 5.836 0.846 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.868 5.237 1.797 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.774 7.377 0.897 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.164 6.037 1.979 1.00 0.00 C ATOM 0 H ILE A 40 -5.214 6.778 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.796 4.190 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.835 5.517 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.130 4.244 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.408 5.106 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.681 7.705 1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.920 7.739 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.694 7.778 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.822 5.511 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.930 7.023 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.662 6.147 1.016 1.00 0.00 H new ATOM 586 N ILE A 41 -8.209 4.473 -1.111 1.00 0.00 N ATOM 587 CA ILE A 41 -9.635 4.599 -1.453 1.00 0.00 C ATOM 588 C ILE A 41 -10.566 4.174 -0.301 1.00 0.00 C ATOM 589 O ILE A 41 -10.601 3.018 0.107 1.00 0.00 O ATOM 590 CB ILE A 41 -9.944 3.899 -2.799 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.445 3.934 -3.172 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.383 2.465 -2.852 1.00 0.00 C ATOM 593 CD1 ILE A 41 -12.002 5.350 -3.375 1.00 0.00 C ATOM 0 H ILE A 41 -7.951 3.540 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.850 5.658 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.424 4.482 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.596 3.360 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.016 3.438 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.625 2.015 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.301 2.493 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.826 1.871 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.059 5.291 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.885 5.922 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.458 5.843 -4.181 1.00 0.00 H new ATOM 605 N ASN A 42 -11.362 5.132 0.178 1.00 0.00 N ATOM 606 CA ASN A 42 -12.567 4.996 1.009 1.00 0.00 C ATOM 607 C ASN A 42 -13.489 6.190 0.665 1.00 0.00 C ATOM 608 O ASN A 42 -12.980 7.314 0.624 1.00 0.00 O ATOM 609 CB ASN A 42 -12.184 5.096 2.504 1.00 0.00 C ATOM 610 CG ASN A 42 -11.369 3.964 3.110 1.00 0.00 C ATOM 611 OD1 ASN A 42 -11.458 2.801 2.751 1.00 0.00 O ATOM 612 ND2 ASN A 42 -10.597 4.264 4.129 1.00 0.00 N ATOM 0 H ASN A 42 -11.164 6.112 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.053 4.038 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.626 6.022 2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.105 5.189 3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.080 3.529 4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.514 5.232 4.438 1.00 0.00 H new ATOM 619 N ASP A 43 -14.804 6.038 0.443 1.00 0.00 N ATOM 620 CA ASP A 43 -15.639 7.242 0.245 1.00 0.00 C ATOM 621 C ASP A 43 -16.004 7.919 1.575 1.00 0.00 C ATOM 622 O ASP A 43 -16.965 7.522 2.244 1.00 0.00 O ATOM 623 CB ASP A 43 -16.903 7.015 -0.601 1.00 0.00 C ATOM 624 CG ASP A 43 -17.509 8.328 -1.088 1.00 0.00 C ATOM 625 OD1 ASP A 43 -16.848 9.387 -1.005 1.00 0.00 O ATOM 626 OD2 ASP A 43 -18.695 8.329 -1.479 1.00 0.00 O ATOM 0 H ASP A 43 -15.296 5.146 0.397 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.003 7.912 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.657 6.389 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -17.641 6.472 -0.011 1.00 0.00 H new ATOM 631 N ARG A 44 -15.296 9.004 1.914 1.00 0.00 N ATOM 632 CA ARG A 44 -15.631 9.861 3.065 1.00 0.00 C ATOM 633 C ARG A 44 -16.900 10.696 2.859 1.00 0.00 C ATOM 634 O ARG A 44 -17.419 11.265 3.815 1.00 0.00 O ATOM 635 CB ARG A 44 -14.403 10.674 3.523 1.00 0.00 C ATOM 636 CG ARG A 44 -13.807 11.719 2.555 1.00 0.00 C ATOM 637 CD ARG A 44 -14.698 12.929 2.232 1.00 0.00 C ATOM 638 NE ARG A 44 -15.157 13.600 3.461 1.00 0.00 N ATOM 639 CZ ARG A 44 -16.172 14.424 3.618 1.00 0.00 C ATOM 640 NH1 ARG A 44 -16.906 14.848 2.631 1.00 0.00 N ATOM 641 NH2 ARG A 44 -16.454 14.840 4.817 1.00 0.00 N ATOM 0 H ARG A 44 -14.473 9.315 1.399 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.893 9.204 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.673 11.191 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.613 9.967 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.872 12.085 2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.558 11.217 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.144 13.636 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.560 12.603 1.649 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.616 13.399 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.706 14.542 1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.681 15.486 2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.894 14.528 5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.235 15.479 4.965 1.00 0.00 H new ATOM 655 N GLU A 45 -17.435 10.744 1.636 1.00 0.00 N ATOM 656 CA GLU A 45 -18.715 11.391 1.331 1.00 0.00 C ATOM 657 C GLU A 45 -19.888 10.476 1.721 1.00 0.00 C ATOM 658 O GLU A 45 -20.746 10.876 2.508 1.00 0.00 O ATOM 659 CB GLU A 45 -18.767 11.764 -0.160 1.00 0.00 C ATOM 660 CG GLU A 45 -19.542 13.062 -0.459 1.00 0.00 C ATOM 661 CD GLU A 45 -20.974 13.107 0.086 1.00 0.00 C ATOM 662 OE1 GLU A 45 -21.851 12.360 -0.411 1.00 0.00 O ATOM 663 OE2 GLU A 45 -21.258 13.918 1.002 1.00 0.00 O ATOM 0 H GLU A 45 -16.986 10.330 0.819 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.803 12.306 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.748 11.868 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.226 10.944 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.986 13.902 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.577 13.205 -1.539 1.00 0.00 H new ATOM 670 N THR A 46 -19.898 9.235 1.214 1.00 0.00 N ATOM 671 CA THR A 46 -20.965 8.232 1.427 1.00 0.00 C ATOM 672 C THR A 46 -20.751 7.366 2.685 1.00 0.00 C ATOM 673 O THR A 46 -21.636 6.597 3.068 1.00 0.00 O ATOM 674 CB THR A 46 -21.184 7.380 0.157 1.00 0.00 C ATOM 675 OG1 THR A 46 -21.208 8.213 -0.984 1.00 0.00 O ATOM 676 CG2 THR A 46 -22.508 6.615 0.120 1.00 0.00 C ATOM 0 H THR A 46 -19.142 8.885 0.625 1.00 0.00 H new ATOM 0 HA THR A 46 -21.883 8.788 1.619 1.00 0.00 H new ATOM 0 HB THR A 46 -20.360 6.667 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.303 8.540 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 46 -22.574 6.046 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 46 -22.558 5.933 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.337 7.320 0.172 1.00 0.00 H new ATOM 684 N GLY A 47 -19.616 7.494 3.383 1.00 0.00 N ATOM 685 CA GLY A 47 -19.375 6.808 4.661 1.00 0.00 C ATOM 686 C GLY A 47 -19.028 5.323 4.518 1.00 0.00 C ATOM 687 O GLY A 47 -19.513 4.505 5.304 1.00 0.00 O ATOM 0 H GLY A 47 -18.837 8.077 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.562 7.311 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -20.263 6.904 5.286 1.00 0.00 H new ATOM 691 N ARG A 48 -18.314 4.959 3.445 1.00 0.00 N ATOM 692 CA ARG A 48 -17.908 3.581 3.095 1.00 0.00 C ATOM 693 C ARG A 48 -16.380 3.446 3.016 1.00 0.00 C ATOM 694 O ARG A 48 -15.671 4.456 3.029 1.00 0.00 O ATOM 695 CB ARG A 48 -18.617 3.136 1.797 1.00 0.00 C ATOM 696 CG ARG A 48 -18.468 4.167 0.673 1.00 0.00 C ATOM 697 CD ARG A 48 -18.902 3.697 -0.716 1.00 0.00 C ATOM 698 NE ARG A 48 -20.338 3.354 -0.791 1.00 0.00 N ATOM 699 CZ ARG A 48 -21.159 3.576 -1.804 1.00 0.00 C ATOM 700 NH1 ARG A 48 -20.822 4.226 -2.878 1.00 0.00 N ATOM 701 NH2 ARG A 48 -22.384 3.151 -1.781 1.00 0.00 N ATOM 0 H ARG A 48 -17.986 5.643 2.763 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.225 2.906 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.205 2.182 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -19.675 2.973 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.049 5.051 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.424 4.475 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.683 4.480 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.311 2.826 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.739 2.896 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.877 4.598 -2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.502 4.364 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.730 2.635 -0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -23.002 3.332 -2.572 1.00 0.00 H new ATOM 715 N SER A 49 -15.877 2.213 2.942 1.00 0.00 N ATOM 716 CA SER A 49 -14.445 1.914 2.822 1.00 0.00 C ATOM 717 C SER A 49 -14.137 0.732 1.894 1.00 0.00 C ATOM 718 O SER A 49 -14.677 -0.366 2.062 1.00 0.00 O ATOM 719 CB SER A 49 -13.823 1.687 4.212 1.00 0.00 C ATOM 720 OG SER A 49 -14.539 0.753 4.996 1.00 0.00 O ATOM 0 H SER A 49 -16.462 1.378 2.964 1.00 0.00 H new ATOM 0 HA SER A 49 -13.991 2.789 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.797 1.340 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.778 2.638 4.743 1.00 0.00 H new ATOM 0 HG SER A 49 -14.098 0.649 5.865 1.00 0.00 H new ATOM 726 N ARG A 50 -13.189 0.909 0.957 1.00 0.00 N ATOM 727 CA ARG A 50 -12.548 -0.211 0.243 1.00 0.00 C ATOM 728 C ARG A 50 -11.424 -0.828 1.079 1.00 0.00 C ATOM 729 O ARG A 50 -11.222 -2.043 1.034 1.00 0.00 O ATOM 730 CB ARG A 50 -12.044 0.241 -1.144 1.00 0.00 C ATOM 731 CG ARG A 50 -13.103 0.713 -2.161 1.00 0.00 C ATOM 732 CD ARG A 50 -13.911 -0.415 -2.811 1.00 0.00 C ATOM 733 NE ARG A 50 -14.825 -1.061 -1.851 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.867 -2.338 -1.517 1.00 0.00 C ATOM 735 NH1 ARG A 50 -14.249 -3.256 -2.200 1.00 0.00 N ATOM 736 NH2 ARG A 50 -15.519 -2.707 -0.451 1.00 0.00 N ATOM 0 H ARG A 50 -12.847 1.827 0.674 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.297 -0.987 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.332 1.053 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.494 -0.588 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.792 1.393 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.606 1.284 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.486 -0.015 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.229 -1.160 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.502 -0.452 -1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.708 -3.000 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.305 -4.232 -1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.995 -2.010 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.554 -3.692 -0.190 1.00 0.00 H new ATOM 750 N GLY A 51 -10.742 -0.016 1.890 1.00 0.00 N ATOM 751 CA GLY A 51 -9.703 -0.462 2.820 1.00 0.00 C ATOM 752 C GLY A 51 -8.450 -1.025 2.139 1.00 0.00 C ATOM 753 O GLY A 51 -7.852 -1.997 2.610 1.00 0.00 O ATOM 0 H GLY A 51 -10.900 0.991 1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.413 0.377 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.121 -1.226 3.475 1.00 0.00 H new ATOM 757 N PHE A 52 -8.063 -0.416 1.018 1.00 0.00 N ATOM 758 CA PHE A 52 -6.823 -0.695 0.299 1.00 0.00 C ATOM 759 C PHE A 52 -6.304 0.549 -0.442 1.00 0.00 C ATOM 760 O PHE A 52 -6.941 1.607 -0.454 1.00 0.00 O ATOM 761 CB PHE A 52 -7.007 -1.908 -0.638 1.00 0.00 C ATOM 762 CG PHE A 52 -8.123 -1.833 -1.669 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.036 -0.963 -2.774 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.226 -2.702 -1.557 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.057 -0.944 -3.742 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.237 -2.698 -2.534 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.159 -1.806 -3.617 1.00 0.00 C ATOM 0 H PHE A 52 -8.624 0.309 0.572 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.054 -0.956 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.069 -2.069 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.179 -2.789 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.183 -0.309 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.295 -3.375 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.993 -0.267 -4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.071 -3.379 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.948 -1.783 -4.354 1.00 0.00 H new ATOM 777 N GLY A 53 -5.133 0.402 -1.055 1.00 0.00 N ATOM 778 CA GLY A 53 -4.481 1.405 -1.887 1.00 0.00 C ATOM 779 C GLY A 53 -3.405 0.797 -2.792 1.00 0.00 C ATOM 780 O GLY A 53 -3.244 -0.426 -2.845 1.00 0.00 O ATOM 0 H GLY A 53 -4.590 -0.458 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.229 1.907 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.030 2.165 -1.250 1.00 0.00 H new ATOM 784 N PHE A 54 -2.660 1.645 -3.504 1.00 0.00 N ATOM 785 CA PHE A 54 -1.368 1.278 -4.102 1.00 0.00 C ATOM 786 C PHE A 54 -0.199 2.082 -3.512 1.00 0.00 C ATOM 787 O PHE A 54 -0.400 3.174 -2.981 1.00 0.00 O ATOM 788 CB PHE A 54 -1.425 1.316 -5.639 1.00 0.00 C ATOM 789 CG PHE A 54 -1.536 2.685 -6.288 1.00 0.00 C ATOM 790 CD1 PHE A 54 -0.387 3.485 -6.465 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.775 3.132 -6.789 1.00 0.00 C ATOM 792 CE1 PHE A 54 -0.479 4.722 -7.128 1.00 0.00 C ATOM 793 CE2 PHE A 54 -2.864 4.366 -7.459 1.00 0.00 C ATOM 794 CZ PHE A 54 -1.719 5.162 -7.626 1.00 0.00 C ATOM 0 H PHE A 54 -2.934 2.611 -3.685 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.167 0.242 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.529 0.829 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.277 0.717 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.567 3.146 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.659 2.525 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.402 5.334 -7.255 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.815 4.702 -7.846 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.790 6.111 -8.136 1.00 0.00 H new ATOM 804 N VAL A 55 1.028 1.578 -3.656 1.00 0.00 N ATOM 805 CA VAL A 55 2.287 2.274 -3.328 1.00 0.00 C ATOM 806 C VAL A 55 3.290 2.113 -4.483 1.00 0.00 C ATOM 807 O VAL A 55 3.293 1.066 -5.129 1.00 0.00 O ATOM 808 CB VAL A 55 2.832 1.769 -1.971 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.413 0.356 -2.049 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.904 2.696 -1.389 1.00 0.00 C ATOM 0 H VAL A 55 1.185 0.637 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 55 2.108 3.343 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 55 1.962 1.760 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.779 0.058 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.638 -0.339 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.237 0.340 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.253 2.296 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.742 2.764 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.481 3.688 -1.233 1.00 0.00 H new ATOM 820 N SER A 56 4.128 3.118 -4.774 1.00 0.00 N ATOM 821 CA SER A 56 5.149 3.057 -5.845 1.00 0.00 C ATOM 822 C SER A 56 6.526 3.534 -5.371 1.00 0.00 C ATOM 823 O SER A 56 6.641 4.549 -4.673 1.00 0.00 O ATOM 824 CB SER A 56 4.704 3.839 -7.089 1.00 0.00 C ATOM 825 OG SER A 56 5.505 3.495 -8.209 1.00 0.00 O ATOM 0 H SER A 56 4.121 4.006 -4.272 1.00 0.00 H new ATOM 0 HA SER A 56 5.247 2.006 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.657 3.625 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.778 4.910 -6.898 1.00 0.00 H new ATOM 0 HG SER A 56 5.206 4.002 -8.993 1.00 0.00 H new ATOM 831 N PHE A 57 7.572 2.795 -5.752 1.00 0.00 N ATOM 832 CA PHE A 57 8.963 3.002 -5.329 1.00 0.00 C ATOM 833 C PHE A 57 9.820 3.676 -6.411 1.00 0.00 C ATOM 834 O PHE A 57 9.536 3.579 -7.607 1.00 0.00 O ATOM 835 CB PHE A 57 9.580 1.652 -4.917 1.00 0.00 C ATOM 836 CG PHE A 57 9.376 1.262 -3.464 1.00 0.00 C ATOM 837 CD1 PHE A 57 8.088 1.027 -2.947 1.00 0.00 C ATOM 838 CD2 PHE A 57 10.493 1.133 -2.618 1.00 0.00 C ATOM 839 CE1 PHE A 57 7.923 0.678 -1.594 1.00 0.00 C ATOM 840 CE2 PHE A 57 10.330 0.791 -1.266 1.00 0.00 C ATOM 841 CZ PHE A 57 9.045 0.569 -0.752 1.00 0.00 C ATOM 0 H PHE A 57 7.471 2.005 -6.389 1.00 0.00 H new ATOM 0 HA PHE A 57 8.950 3.682 -4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.158 0.870 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.650 1.683 -5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.225 1.115 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.485 1.299 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.934 0.494 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.193 0.699 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.916 0.314 0.290 1.00 0.00 H new ATOM 851 N SER A 58 10.920 4.301 -5.982 1.00 0.00 N ATOM 852 CA SER A 58 11.978 4.827 -6.857 1.00 0.00 C ATOM 853 C SER A 58 12.892 3.725 -7.418 1.00 0.00 C ATOM 854 O SER A 58 13.477 3.903 -8.489 1.00 0.00 O ATOM 855 CB SER A 58 12.866 5.825 -6.099 1.00 0.00 C ATOM 856 OG SER A 58 12.136 6.874 -5.485 1.00 0.00 O ATOM 0 H SER A 58 11.107 4.461 -4.992 1.00 0.00 H new ATOM 0 HA SER A 58 11.460 5.312 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.431 5.290 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.591 6.253 -6.791 1.00 0.00 H new ATOM 0 HG SER A 58 11.872 6.603 -4.581 1.00 0.00 H new ATOM 862 N ASN A 59 13.050 2.599 -6.708 1.00 0.00 N ATOM 863 CA ASN A 59 13.946 1.504 -7.098 1.00 0.00 C ATOM 864 C ASN A 59 13.334 0.099 -6.917 1.00 0.00 C ATOM 865 O ASN A 59 12.491 -0.144 -6.051 1.00 0.00 O ATOM 866 CB ASN A 59 15.286 1.638 -6.351 1.00 0.00 C ATOM 867 CG ASN A 59 16.073 2.891 -6.703 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.569 3.055 -7.808 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.220 3.835 -5.806 1.00 0.00 N ATOM 0 H ASN A 59 12.552 2.422 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 59 14.115 1.600 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.093 1.633 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.900 0.764 -6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.739 4.682 -6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.816 3.723 -4.876 1.00 0.00 H new ATOM 876 N GLU A 60 13.799 -0.838 -7.746 1.00 0.00 N ATOM 877 CA GLU A 60 13.217 -2.176 -7.935 1.00 0.00 C ATOM 878 C GLU A 60 13.422 -3.113 -6.732 1.00 0.00 C ATOM 879 O GLU A 60 12.465 -3.702 -6.224 1.00 0.00 O ATOM 880 CB GLU A 60 13.824 -2.781 -9.218 1.00 0.00 C ATOM 881 CG GLU A 60 13.201 -4.123 -9.635 1.00 0.00 C ATOM 882 CD GLU A 60 13.932 -4.737 -10.837 1.00 0.00 C ATOM 883 OE1 GLU A 60 14.062 -4.072 -11.895 1.00 0.00 O ATOM 884 OE2 GLU A 60 14.367 -5.913 -10.749 1.00 0.00 O ATOM 0 H GLU A 60 14.622 -0.683 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 60 12.136 -2.069 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.705 -2.068 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.895 -2.920 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.235 -4.817 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.150 -3.975 -9.884 1.00 0.00 H new ATOM 891 N GLN A 61 14.662 -3.257 -6.250 1.00 0.00 N ATOM 892 CA GLN A 61 14.985 -4.232 -5.200 1.00 0.00 C ATOM 893 C GLN A 61 14.408 -3.834 -3.835 1.00 0.00 C ATOM 894 O GLN A 61 14.160 -4.713 -3.003 1.00 0.00 O ATOM 895 CB GLN A 61 16.499 -4.423 -5.067 1.00 0.00 C ATOM 896 CG GLN A 61 17.206 -4.878 -6.351 1.00 0.00 C ATOM 897 CD GLN A 61 18.703 -5.082 -6.134 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.225 -4.996 -5.027 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.449 -5.340 -7.179 1.00 0.00 N ATOM 0 H GLN A 61 15.461 -2.709 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 61 14.524 -5.171 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.942 -3.483 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.691 -5.156 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.760 -5.809 -6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.050 -4.136 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.024 -5.413 -8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.455 -5.468 -7.069 1.00 0.00 H new ATOM 908 N ALA A 62 14.197 -2.534 -3.610 1.00 0.00 N ATOM 909 CA ALA A 62 13.551 -1.965 -2.432 1.00 0.00 C ATOM 910 C ALA A 62 12.067 -2.362 -2.345 1.00 0.00 C ATOM 911 O ALA A 62 11.630 -2.864 -1.309 1.00 0.00 O ATOM 912 CB ALA A 62 13.722 -0.442 -2.500 1.00 0.00 C ATOM 0 H ALA A 62 14.487 -1.819 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 62 14.017 -2.357 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.249 0.016 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.784 -0.195 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.255 -0.064 -3.409 1.00 0.00 H new ATOM 918 N MET A 63 11.314 -2.233 -3.446 1.00 0.00 N ATOM 919 CA MET A 63 9.908 -2.662 -3.522 1.00 0.00 C ATOM 920 C MET A 63 9.759 -4.159 -3.212 1.00 0.00 C ATOM 921 O MET A 63 8.856 -4.565 -2.480 1.00 0.00 O ATOM 922 CB MET A 63 9.371 -2.360 -4.931 1.00 0.00 C ATOM 923 CG MET A 63 7.903 -2.741 -5.188 1.00 0.00 C ATOM 924 SD MET A 63 6.630 -1.593 -4.587 1.00 0.00 S ATOM 925 CE MET A 63 6.385 -2.170 -2.885 1.00 0.00 C ATOM 0 H MET A 63 11.663 -1.826 -4.314 1.00 0.00 H new ATOM 0 HA MET A 63 9.334 -2.113 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.488 -1.293 -5.122 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.994 -2.884 -5.656 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.769 -2.862 -6.263 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.722 -3.715 -4.733 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.580 -1.601 -2.420 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.124 -3.228 -2.894 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.304 -2.028 -2.317 1.00 0.00 H new ATOM 935 N GLN A 64 10.671 -4.980 -3.739 1.00 0.00 N ATOM 936 CA GLN A 64 10.652 -6.433 -3.555 1.00 0.00 C ATOM 937 C GLN A 64 11.006 -6.830 -2.120 1.00 0.00 C ATOM 938 O GLN A 64 10.320 -7.668 -1.537 1.00 0.00 O ATOM 939 CB GLN A 64 11.620 -7.104 -4.537 1.00 0.00 C ATOM 940 CG GLN A 64 11.158 -6.986 -5.999 1.00 0.00 C ATOM 941 CD GLN A 64 12.146 -7.585 -7.000 1.00 0.00 C ATOM 942 OE1 GLN A 64 13.332 -7.775 -6.748 1.00 0.00 O ATOM 943 NE2 GLN A 64 11.699 -7.914 -8.186 1.00 0.00 N ATOM 0 H GLN A 64 11.450 -4.652 -4.310 1.00 0.00 H new ATOM 0 HA GLN A 64 9.636 -6.775 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.607 -6.652 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.723 -8.157 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.195 -7.484 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.002 -5.934 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.717 -7.766 -8.420 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.332 -8.318 -8.876 1.00 0.00 H new ATOM 952 N ASP A 65 12.033 -6.206 -1.529 1.00 0.00 N ATOM 953 CA ASP A 65 12.422 -6.452 -0.136 1.00 0.00 C ATOM 954 C ASP A 65 11.343 -5.983 0.852 1.00 0.00 C ATOM 955 O ASP A 65 11.190 -6.594 1.911 1.00 0.00 O ATOM 956 CB ASP A 65 13.776 -5.783 0.150 1.00 0.00 C ATOM 957 CG ASP A 65 14.389 -6.230 1.481 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.580 -7.456 1.667 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.719 -5.373 2.337 1.00 0.00 O ATOM 0 H ASP A 65 12.617 -5.517 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 65 12.525 -7.528 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.468 -6.014 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.647 -4.701 0.160 1.00 0.00 H new ATOM 964 N ALA A 66 10.554 -4.965 0.489 1.00 0.00 N ATOM 965 CA ALA A 66 9.401 -4.530 1.257 1.00 0.00 C ATOM 966 C ALA A 66 8.258 -5.557 1.203 1.00 0.00 C ATOM 967 O ALA A 66 7.824 -6.032 2.247 1.00 0.00 O ATOM 968 CB ALA A 66 8.986 -3.153 0.749 1.00 0.00 C ATOM 0 H ALA A 66 10.708 -4.419 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 66 9.662 -4.454 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.120 -2.804 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.811 -2.453 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.730 -3.217 -0.309 1.00 0.00 H new ATOM 974 N ILE A 67 7.812 -5.969 0.009 1.00 0.00 N ATOM 975 CA ILE A 67 6.821 -7.051 -0.189 1.00 0.00 C ATOM 976 C ILE A 67 7.223 -8.318 0.593 1.00 0.00 C ATOM 977 O ILE A 67 6.415 -8.857 1.350 1.00 0.00 O ATOM 978 CB ILE A 67 6.630 -7.332 -1.704 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.927 -6.130 -2.378 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.818 -8.614 -1.973 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.978 -6.157 -3.913 1.00 0.00 C ATOM 0 H ILE A 67 8.132 -5.556 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 67 5.860 -6.727 0.210 1.00 0.00 H new ATOM 0 HB ILE A 67 7.624 -7.478 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.885 -6.107 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.389 -5.208 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.716 -8.761 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.334 -9.470 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.829 -8.519 -1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.464 -5.282 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.017 -6.148 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.490 -7.061 -4.277 1.00 0.00 H new ATOM 993 N GLU A 68 8.491 -8.732 0.494 1.00 0.00 N ATOM 994 CA GLU A 68 9.073 -9.865 1.234 1.00 0.00 C ATOM 995 C GLU A 68 9.008 -9.714 2.780 1.00 0.00 C ATOM 996 O GLU A 68 9.104 -10.712 3.503 1.00 0.00 O ATOM 997 CB GLU A 68 10.518 -10.021 0.717 1.00 0.00 C ATOM 998 CG GLU A 68 11.268 -11.299 1.107 1.00 0.00 C ATOM 999 CD GLU A 68 10.711 -12.547 0.413 1.00 0.00 C ATOM 1000 OE1 GLU A 68 11.023 -12.780 -0.782 1.00 0.00 O ATOM 1001 OE2 GLU A 68 10.014 -13.346 1.084 1.00 0.00 O ATOM 0 H GLU A 68 9.164 -8.276 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 68 8.485 -10.764 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.496 -9.961 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.097 -9.168 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.322 -11.188 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.211 -11.433 2.187 1.00 0.00 H new ATOM 1008 N GLY A 69 8.809 -8.503 3.315 1.00 0.00 N ATOM 1009 CA GLY A 69 8.619 -8.204 4.747 1.00 0.00 C ATOM 1010 C GLY A 69 7.215 -7.710 5.150 1.00 0.00 C ATOM 1011 O GLY A 69 6.997 -7.403 6.324 1.00 0.00 O ATOM 0 H GLY A 69 8.774 -7.663 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.845 -9.104 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.347 -7.448 5.041 1.00 0.00 H new ATOM 1015 N MET A 70 6.266 -7.600 4.214 1.00 0.00 N ATOM 1016 CA MET A 70 4.959 -6.946 4.432 1.00 0.00 C ATOM 1017 C MET A 70 3.791 -7.907 4.657 1.00 0.00 C ATOM 1018 O MET A 70 2.869 -7.573 5.403 1.00 0.00 O ATOM 1019 CB MET A 70 4.642 -6.053 3.225 1.00 0.00 C ATOM 1020 CG MET A 70 5.310 -4.681 3.345 1.00 0.00 C ATOM 1021 SD MET A 70 4.458 -3.539 4.465 1.00 0.00 S ATOM 1022 CE MET A 70 5.744 -2.275 4.630 1.00 0.00 C ATOM 0 H MET A 70 6.380 -7.966 3.269 1.00 0.00 H new ATOM 0 HA MET A 70 5.060 -6.373 5.354 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.979 -6.543 2.311 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.563 -5.926 3.140 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.334 -4.817 3.692 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.366 -4.228 2.355 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.280 -1.307 4.821 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.402 -2.532 5.460 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.324 -2.224 3.709 1.00 0.00 H new ATOM 1032 N ASN A 71 3.795 -9.079 4.013 1.00 0.00 N ATOM 1033 CA ASN A 71 2.671 -10.020 4.039 1.00 0.00 C ATOM 1034 C ASN A 71 2.261 -10.350 5.488 1.00 0.00 C ATOM 1035 O ASN A 71 3.025 -10.963 6.233 1.00 0.00 O ATOM 1036 CB ASN A 71 3.075 -11.277 3.239 1.00 0.00 C ATOM 1037 CG ASN A 71 2.039 -12.391 3.257 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.884 -12.219 3.638 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.401 -13.580 2.850 1.00 0.00 N ATOM 0 H ASN A 71 4.585 -9.403 3.455 1.00 0.00 H new ATOM 0 HA ASN A 71 1.792 -9.574 3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.264 -10.990 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.013 -11.662 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.728 -14.347 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.356 -13.741 2.530 1.00 0.00 H new ATOM 1046 N GLY A 72 1.057 -9.930 5.886 1.00 0.00 N ATOM 1047 CA GLY A 72 0.467 -10.259 7.188 1.00 0.00 C ATOM 1048 C GLY A 72 0.910 -9.404 8.384 1.00 0.00 C ATOM 1049 O GLY A 72 0.493 -9.720 9.501 1.00 0.00 O ATOM 0 H GLY A 72 0.456 -9.344 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.617 -10.183 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.696 -11.301 7.412 1.00 0.00 H new ATOM 1053 N LYS A 73 1.700 -8.331 8.192 1.00 0.00 N ATOM 1054 CA LYS A 73 2.029 -7.366 9.270 1.00 0.00 C ATOM 1055 C LYS A 73 0.757 -6.728 9.849 1.00 0.00 C ATOM 1056 O LYS A 73 -0.170 -6.441 9.094 1.00 0.00 O ATOM 1057 CB LYS A 73 2.983 -6.274 8.735 1.00 0.00 C ATOM 1058 CG LYS A 73 4.431 -6.750 8.497 1.00 0.00 C ATOM 1059 CD LYS A 73 5.227 -6.945 9.800 1.00 0.00 C ATOM 1060 CE LYS A 73 6.701 -7.312 9.560 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.866 -8.690 9.041 1.00 0.00 N ATOM 0 H LYS A 73 2.128 -8.105 7.294 1.00 0.00 H new ATOM 0 HA LYS A 73 2.528 -7.910 10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.583 -5.887 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.998 -5.445 9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.412 -7.691 7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.947 -6.024 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.179 -6.029 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.756 -7.729 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.137 -6.606 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.254 -7.210 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.720 -9.116 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.035 -9.260 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.958 -8.662 8.005 1.00 0.00 H new ATOM 1075 N GLU A 74 0.710 -6.460 11.157 1.00 0.00 N ATOM 1076 CA GLU A 74 -0.360 -5.643 11.756 1.00 0.00 C ATOM 1077 C GLU A 74 -0.026 -4.143 11.697 1.00 0.00 C ATOM 1078 O GLU A 74 1.034 -3.702 12.153 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.805 -6.122 13.156 1.00 0.00 C ATOM 1080 CG GLU A 74 0.279 -6.211 14.240 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.328 -6.192 15.652 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -0.630 -5.079 16.154 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -0.431 -7.259 16.315 1.00 0.00 O ATOM 0 H GLU A 74 1.401 -6.796 11.827 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.243 -5.792 11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.585 -5.449 13.512 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.258 -7.107 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.856 -7.126 14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.973 -5.377 14.131 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.946 -3.349 11.146 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.853 -1.898 10.969 1.00 0.00 C ATOM 1092 C LEU A 75 -2.237 -1.275 11.189 1.00 0.00 C ATOM 1093 O LEU A 75 -3.234 -1.807 10.709 1.00 0.00 O ATOM 1094 CB LEU A 75 -0.337 -1.581 9.551 1.00 0.00 C ATOM 1095 CG LEU A 75 0.702 -0.443 9.536 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.122 -1.015 9.587 1.00 0.00 C ATOM 1097 CD2 LEU A 75 0.577 0.428 8.284 1.00 0.00 C ATOM 0 H LEU A 75 -1.826 -3.722 10.791 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.155 -1.479 11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.108 -2.479 9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.179 -1.307 8.915 1.00 0.00 H new ATOM 0 HG LEU A 75 0.508 0.172 10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.844 -0.198 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.247 -1.597 10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.287 -1.657 8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.328 1.218 8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.731 -0.186 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.417 0.874 8.249 1.00 0.00 H new ATOM 1109 N ASP A 76 -2.317 -0.170 11.929 1.00 0.00 N ATOM 1110 CA ASP A 76 -3.590 0.486 12.309 1.00 0.00 C ATOM 1111 C ASP A 76 -4.629 -0.452 12.987 1.00 0.00 C ATOM 1112 O ASP A 76 -5.826 -0.160 13.003 1.00 0.00 O ATOM 1113 CB ASP A 76 -4.158 1.257 11.094 1.00 0.00 C ATOM 1114 CG ASP A 76 -5.129 2.381 11.491 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -4.725 3.274 12.271 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -6.277 2.448 10.990 1.00 0.00 O ATOM 0 H ASP A 76 -1.493 0.310 12.292 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.360 1.200 13.100 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.332 1.683 10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.672 0.557 10.436 1.00 0.00 H new ATOM 1121 N GLY A 77 -4.180 -1.582 13.557 1.00 0.00 N ATOM 1122 CA GLY A 77 -5.035 -2.636 14.135 1.00 0.00 C ATOM 1123 C GLY A 77 -5.561 -3.682 13.133 1.00 0.00 C ATOM 1124 O GLY A 77 -6.355 -4.553 13.510 1.00 0.00 O ATOM 0 H GLY A 77 -3.185 -1.795 13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.471 -3.153 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.888 -2.163 14.622 1.00 0.00 H new ATOM 1128 N ARG A 78 -5.120 -3.621 11.870 1.00 0.00 N ATOM 1129 CA ARG A 78 -5.545 -4.445 10.727 1.00 0.00 C ATOM 1130 C ARG A 78 -4.358 -5.217 10.147 1.00 0.00 C ATOM 1131 O ARG A 78 -3.212 -4.872 10.407 1.00 0.00 O ATOM 1132 CB ARG A 78 -6.146 -3.527 9.647 1.00 0.00 C ATOM 1133 CG ARG A 78 -7.314 -2.642 10.110 1.00 0.00 C ATOM 1134 CD ARG A 78 -8.500 -3.475 10.605 1.00 0.00 C ATOM 1135 NE ARG A 78 -9.759 -2.721 10.536 1.00 0.00 N ATOM 1136 CZ ARG A 78 -10.872 -2.971 11.200 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.972 -3.932 12.076 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -11.916 -2.237 10.953 1.00 0.00 N ATOM 0 H ARG A 78 -4.405 -2.946 11.599 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.291 -5.166 11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.356 -2.883 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.488 -4.146 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.975 -1.982 10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.636 -2.005 9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.585 -4.381 10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.320 -3.790 11.633 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.775 -1.918 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.168 -4.529 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.854 -4.087 12.565 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.862 -1.490 10.261 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.789 -2.408 11.452 1.00 0.00 H new ATOM 1152 N SER A 79 -4.616 -6.245 9.348 1.00 0.00 N ATOM 1153 CA SER A 79 -3.596 -7.115 8.744 1.00 0.00 C ATOM 1154 C SER A 79 -3.280 -6.724 7.296 1.00 0.00 C ATOM 1155 O SER A 79 -4.187 -6.477 6.496 1.00 0.00 O ATOM 1156 CB SER A 79 -4.009 -8.586 8.867 1.00 0.00 C ATOM 1157 OG SER A 79 -5.242 -8.859 8.213 1.00 0.00 O ATOM 0 H SER A 79 -5.567 -6.510 9.090 1.00 0.00 H new ATOM 0 HA SER A 79 -2.669 -6.977 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.228 -9.217 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.094 -8.850 9.921 1.00 0.00 H new ATOM 0 HG SER A 79 -5.464 -9.808 8.316 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.993 -6.672 6.946 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.518 -6.269 5.615 1.00 0.00 C ATOM 1165 C ILE A 80 -1.615 -7.411 4.590 1.00 0.00 C ATOM 1166 O ILE A 80 -1.296 -8.568 4.882 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.113 -5.617 5.700 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.259 -4.209 6.329 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.581 -5.523 4.327 1.00 0.00 C ATOM 1170 CD1 ILE A 80 1.035 -3.390 6.435 1.00 0.00 C ATOM 0 H ILE A 80 -1.237 -6.912 7.588 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.189 -5.498 5.235 1.00 0.00 H new ATOM 0 HB ILE A 80 0.520 -6.250 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.979 -3.641 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.680 -4.319 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.560 -5.059 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.701 -6.523 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.027 -4.920 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.818 -2.423 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.756 -3.927 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.452 -3.238 5.439 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.991 -7.057 3.360 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.866 -7.882 2.145 1.00 0.00 C ATOM 1184 C VAL A 81 -1.062 -7.116 1.093 1.00 0.00 C ATOM 1185 O VAL A 81 -1.349 -5.947 0.833 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.248 -8.290 1.598 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.165 -9.018 0.249 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.943 -9.231 2.588 1.00 0.00 C ATOM 0 H VAL A 81 -2.411 -6.147 3.169 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.339 -8.802 2.397 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.807 -7.364 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.169 -9.280 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.696 -8.366 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.571 -9.925 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.919 -9.516 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.334 -10.124 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.070 -8.723 3.544 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.079 -7.780 0.476 1.00 0.00 N ATOM 1199 CA VAL A 82 0.801 -7.215 -0.564 1.00 0.00 C ATOM 1200 C VAL A 82 0.864 -8.072 -1.835 1.00 0.00 C ATOM 1201 O VAL A 82 1.006 -9.297 -1.767 1.00 0.00 O ATOM 1202 CB VAL A 82 2.219 -6.934 -0.054 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.179 -5.720 0.872 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.867 -8.122 0.667 1.00 0.00 C ATOM 0 H VAL A 82 0.136 -8.754 0.689 1.00 0.00 H new ATOM 0 HA VAL A 82 0.338 -6.264 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 82 2.841 -6.742 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.183 -5.511 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.807 -4.855 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.519 -5.926 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.868 -7.845 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.262 -8.397 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.932 -8.970 -0.015 1.00 0.00 H new ATOM 1214 N ASN A 83 0.822 -7.432 -3.005 1.00 0.00 N ATOM 1215 CA ASN A 83 1.227 -8.019 -4.291 1.00 0.00 C ATOM 1216 C ASN A 83 1.576 -6.930 -5.314 1.00 0.00 C ATOM 1217 O ASN A 83 1.108 -5.801 -5.200 1.00 0.00 O ATOM 1218 CB ASN A 83 0.144 -8.972 -4.844 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.234 -8.355 -5.006 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.113 -8.549 -4.173 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.497 -7.640 -6.076 1.00 0.00 N ATOM 0 H ASN A 83 0.498 -6.468 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 83 2.125 -8.609 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.473 -9.348 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.064 -9.832 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.429 -7.249 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.769 -7.476 -6.771 1.00 0.00 H new ATOM 1228 N GLU A 84 2.353 -7.267 -6.342 1.00 0.00 N ATOM 1229 CA GLU A 84 2.636 -6.369 -7.472 1.00 0.00 C ATOM 1230 C GLU A 84 1.352 -5.940 -8.214 1.00 0.00 C ATOM 1231 O GLU A 84 0.329 -6.632 -8.187 1.00 0.00 O ATOM 1232 CB GLU A 84 3.693 -6.994 -8.403 1.00 0.00 C ATOM 1233 CG GLU A 84 3.356 -8.393 -8.957 1.00 0.00 C ATOM 1234 CD GLU A 84 2.842 -8.370 -10.398 1.00 0.00 C ATOM 1235 OE1 GLU A 84 1.865 -7.637 -10.665 1.00 0.00 O ATOM 1236 OE2 GLU A 84 3.371 -9.136 -11.248 1.00 0.00 O ATOM 0 H GLU A 84 2.809 -8.176 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 84 3.059 -5.446 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.853 -6.320 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.636 -7.056 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.247 -9.019 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.604 -8.857 -8.319 1.00 0.00 H new ATOM 1243 N ALA A 85 1.379 -4.743 -8.808 1.00 0.00 N ATOM 1244 CA ALA A 85 0.175 -4.056 -9.279 1.00 0.00 C ATOM 1245 C ALA A 85 -0.153 -4.242 -10.776 1.00 0.00 C ATOM 1246 O ALA A 85 -1.211 -3.765 -11.207 1.00 0.00 O ATOM 1247 CB ALA A 85 0.279 -2.579 -8.880 1.00 0.00 C ATOM 0 H ALA A 85 2.240 -4.222 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.678 -4.526 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.609 -2.047 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.355 -2.500 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.165 -2.140 -9.339 1.00 0.00 H new ATOM 1253 N GLN A 86 0.683 -4.928 -11.574 1.00 0.00 N ATOM 1254 CA GLN A 86 0.374 -5.191 -12.993 1.00 0.00 C ATOM 1255 C GLN A 86 -0.494 -6.458 -13.164 1.00 0.00 C ATOM 1256 O GLN A 86 -1.364 -6.502 -14.032 1.00 0.00 O ATOM 1257 CB GLN A 86 1.639 -5.219 -13.868 1.00 0.00 C ATOM 1258 CG GLN A 86 1.258 -5.109 -15.362 1.00 0.00 C ATOM 1259 CD GLN A 86 2.463 -4.994 -16.291 1.00 0.00 C ATOM 1260 OE1 GLN A 86 3.286 -5.899 -16.384 1.00 0.00 O ATOM 1261 NE2 GLN A 86 2.626 -3.903 -17.004 1.00 0.00 N ATOM 0 H GLN A 86 1.576 -5.310 -11.263 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.223 -4.352 -13.351 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.299 -4.397 -13.592 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.191 -6.143 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.673 -5.984 -15.645 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.617 -4.239 -15.502 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.949 -3.143 -16.936 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.430 -3.816 -17.626 1.00 0.00 H new ATOM 1270 N SER A 87 -0.339 -7.460 -12.293 1.00 0.00 N ATOM 1271 CA SER A 87 -1.193 -8.661 -12.188 1.00 0.00 C ATOM 1272 C SER A 87 -2.638 -8.331 -11.788 1.00 0.00 C ATOM 1273 O SER A 87 -3.581 -8.944 -12.295 1.00 0.00 O ATOM 1274 CB SER A 87 -0.599 -9.644 -11.168 1.00 0.00 C ATOM 1275 OG SER A 87 -0.411 -9.030 -9.905 1.00 0.00 O ATOM 0 H SER A 87 0.417 -7.462 -11.609 1.00 0.00 H new ATOM 0 HA SER A 87 -1.220 -9.112 -13.180 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.261 -10.503 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.355 -10.020 -11.537 1.00 0.00 H new ATOM 0 HG SER A 87 0.355 -8.420 -9.948 1.00 0.00 H new ATOM 1281 N ARG A 88 -2.816 -7.308 -10.939 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.100 -6.643 -10.640 1.00 0.00 C ATOM 1283 C ARG A 88 -4.360 -5.430 -11.557 1.00 0.00 C ATOM 1284 O ARG A 88 -5.140 -4.541 -11.217 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.175 -6.338 -9.124 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.597 -6.004 -8.623 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.766 -4.536 -8.195 1.00 0.00 C ATOM 1288 NE ARG A 88 -7.183 -4.149 -8.068 1.00 0.00 N ATOM 1289 CZ ARG A 88 -8.065 -3.940 -9.030 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -7.792 -4.071 -10.294 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -9.270 -3.584 -8.719 1.00 0.00 N ATOM 0 H ARG A 88 -2.039 -6.902 -10.418 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.925 -7.317 -10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.798 -7.199 -8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.515 -5.500 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.314 -6.229 -9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.838 -6.651 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.262 -4.378 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.279 -3.889 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.527 -4.027 -7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.855 -4.349 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.514 -3.896 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.531 -3.467 -7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.959 -3.420 -9.453 1.00 0.00 H new ATOM 1305 N GLY A 89 -3.651 -5.322 -12.679 1.00 0.00 N ATOM 1306 CA GLY A 89 -3.762 -4.217 -13.636 1.00 0.00 C ATOM 1307 C GLY A 89 -4.878 -4.408 -14.664 1.00 0.00 C ATOM 1308 O GLY A 89 -5.527 -5.455 -14.694 1.00 0.00 O ATOM 0 H GLY A 89 -2.962 -6.021 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.937 -3.290 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.813 -4.104 -14.159 1.00 0.00 H new ATOM 1312 N TYR A 90 -5.058 -3.409 -15.531 1.00 0.00 N ATOM 1313 CA TYR A 90 -6.039 -3.383 -16.631 1.00 0.00 C ATOM 1314 C TYR A 90 -7.516 -3.503 -16.191 1.00 0.00 C ATOM 1315 O TYR A 90 -7.826 -3.736 -15.019 1.00 0.00 O ATOM 1316 CB TYR A 90 -5.660 -4.414 -17.716 1.00 0.00 C ATOM 1317 CG TYR A 90 -4.181 -4.485 -18.067 1.00 0.00 C ATOM 1318 CD1 TYR A 90 -3.500 -3.335 -18.515 1.00 0.00 C ATOM 1319 CD2 TYR A 90 -3.480 -5.701 -17.931 1.00 0.00 C ATOM 1320 CE1 TYR A 90 -2.122 -3.397 -18.801 1.00 0.00 C ATOM 1321 CE2 TYR A 90 -2.104 -5.768 -18.226 1.00 0.00 C ATOM 1322 CZ TYR A 90 -1.419 -4.610 -18.651 1.00 0.00 C ATOM 1323 OH TYR A 90 -0.105 -4.672 -18.985 1.00 0.00 O ATOM 0 H TYR A 90 -4.501 -2.555 -15.488 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.981 -2.383 -17.061 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.984 -5.400 -17.384 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.220 -4.183 -18.622 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.035 -2.405 -18.639 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.001 -6.587 -17.599 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.602 -2.512 -19.136 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.574 -6.704 -18.127 1.00 0.00 H new ATOM 0 HH TYR A 90 0.232 -5.578 -18.822 1.00 0.00 H new ATOM 1333 N GLY A 91 -8.447 -3.302 -17.127 1.00 0.00 N ATOM 1334 CA GLY A 91 -9.891 -3.391 -16.880 1.00 0.00 C ATOM 1335 C GLY A 91 -10.738 -2.745 -17.979 1.00 0.00 C ATOM 1336 O GLY A 91 -10.249 -2.499 -19.086 1.00 0.00 O ATOM 0 H GLY A 91 -8.217 -3.069 -18.093 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.172 -4.440 -16.785 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.119 -2.913 -15.928 1.00 0.00 H new ATOM 1340 N GLY A 92 -12.000 -2.438 -17.660 1.00 0.00 N ATOM 1341 CA GLY A 92 -12.967 -1.758 -18.540 1.00 0.00 C ATOM 1342 C GLY A 92 -13.496 -2.607 -19.686 1.00 0.00 C ATOM 1343 O GLY A 92 -13.524 -2.075 -20.819 1.00 0.00 O ATOM 1344 OXT GLY A 92 -13.924 -3.753 -19.412 1.00 0.00 O ATOM 0 H GLY A 92 -12.395 -2.664 -16.747 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.810 -1.421 -17.937 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.495 -0.867 -18.955 1.00 0.00 H new TER 1348 GLY A 92