USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 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 17 SER OG : rot 180:sc= 0.336 USER MOD Set 1.2: A 20 THR OG1 : rot -57:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.607) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.0574 (180deg=-0.126) 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 11 CYS SG : rot -89:sc= 0.186 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 30 SER OG : rot -90:sc= 0.84 USER MOD Single : A 31 SER OG : rot 55:sc= 0.058 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.8!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 56:sc= 1.26 USER MOD Single : A 58 SER OG : rot 78:sc= 1.21 USER MOD Single : A 59 ASN : amide:sc= -0.0385 X(o=-0.039,f=-0.039) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 35:sc= 0.125 USER MOD Single : A 83 ASN : amide:sc=-0.00907 K(o=-0.0091,f=-0.81) USER MOD Single : A 86 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 87 SER OG : rot 105:sc= 1.24 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.408 8.887 -12.520 1.00 0.00 N ATOM 2 CA MET A 1 14.497 7.433 -12.762 1.00 0.00 C ATOM 3 C MET A 1 13.534 6.997 -13.863 1.00 0.00 C ATOM 4 O MET A 1 12.599 7.726 -14.204 1.00 0.00 O ATOM 5 CB MET A 1 14.350 6.606 -11.472 1.00 0.00 C ATOM 6 CG MET A 1 13.108 6.909 -10.619 1.00 0.00 C ATOM 7 SD MET A 1 11.534 6.254 -11.232 1.00 0.00 S ATOM 8 CE MET A 1 11.736 4.515 -10.762 1.00 0.00 C ATOM 0 H1 MET A 1 14.583 9.083 -11.514 1.00 0.00 H new ATOM 0 H2 MET A 1 15.120 9.379 -13.097 1.00 0.00 H new ATOM 0 H3 MET A 1 13.459 9.225 -12.779 1.00 0.00 H new ATOM 0 HA MET A 1 15.505 7.226 -13.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.334 5.550 -11.740 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.236 6.765 -10.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.276 6.514 -9.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.014 7.991 -10.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.757 4.040 -10.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.337 4.002 -11.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.236 4.455 -9.795 1.00 0.00 H new ATOM 20 N ALA A 2 13.782 5.824 -14.455 1.00 0.00 N ATOM 21 CA ALA A 2 13.090 5.343 -15.653 1.00 0.00 C ATOM 22 C ALA A 2 12.422 3.974 -15.423 1.00 0.00 C ATOM 23 O ALA A 2 13.073 2.927 -15.500 1.00 0.00 O ATOM 24 CB ALA A 2 14.097 5.324 -16.812 1.00 0.00 C ATOM 0 H ALA A 2 14.483 5.170 -14.107 1.00 0.00 H new ATOM 0 HA ALA A 2 12.271 6.018 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.604 4.969 -17.717 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.479 6.331 -16.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.924 4.659 -16.564 1.00 0.00 H new ATOM 30 N GLU A 3 11.110 3.992 -15.176 1.00 0.00 N ATOM 31 CA GLU A 3 10.226 2.817 -15.217 1.00 0.00 C ATOM 32 C GLU A 3 9.941 2.411 -16.679 1.00 0.00 C ATOM 33 O GLU A 3 8.943 2.807 -17.291 1.00 0.00 O ATOM 34 CB GLU A 3 8.916 3.095 -14.458 1.00 0.00 C ATOM 35 CG GLU A 3 9.085 3.458 -12.980 1.00 0.00 C ATOM 36 CD GLU A 3 7.715 3.558 -12.302 1.00 0.00 C ATOM 37 OE1 GLU A 3 7.198 2.513 -11.849 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.095 4.652 -12.255 1.00 0.00 O ATOM 0 H GLU A 3 10.615 4.850 -14.934 1.00 0.00 H new ATOM 0 HA GLU A 3 10.730 1.986 -14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.390 3.909 -14.958 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.279 2.213 -14.529 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.693 2.704 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.615 4.406 -12.889 1.00 0.00 H new ATOM 45 N SER A 4 10.857 1.645 -17.268 1.00 0.00 N ATOM 46 CA SER A 4 10.771 1.121 -18.640 1.00 0.00 C ATOM 47 C SER A 4 9.628 0.099 -18.804 1.00 0.00 C ATOM 48 O SER A 4 9.064 -0.385 -17.823 1.00 0.00 O ATOM 49 CB SER A 4 12.133 0.520 -19.009 1.00 0.00 C ATOM 50 OG SER A 4 13.133 1.525 -18.945 1.00 0.00 O ATOM 0 H SER A 4 11.712 1.359 -16.791 1.00 0.00 H new ATOM 0 HA SER A 4 10.532 1.936 -19.323 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.378 -0.295 -18.328 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.094 0.096 -20.012 1.00 0.00 H new ATOM 0 HG SER A 4 14.002 1.137 -19.180 1.00 0.00 H new ATOM 56 N ASP A 5 9.234 -0.254 -20.032 1.00 0.00 N ATOM 57 CA ASP A 5 8.102 -1.182 -20.242 1.00 0.00 C ATOM 58 C ASP A 5 8.381 -2.625 -19.762 1.00 0.00 C ATOM 59 O ASP A 5 7.436 -3.379 -19.521 1.00 0.00 O ATOM 60 CB ASP A 5 7.627 -1.163 -21.701 1.00 0.00 C ATOM 61 CG ASP A 5 6.951 0.157 -22.083 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.854 0.456 -21.544 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.508 0.889 -22.938 1.00 0.00 O ATOM 0 H ASP A 5 9.672 0.080 -20.890 1.00 0.00 H new ATOM 0 HA ASP A 5 7.295 -0.810 -19.610 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.479 -1.334 -22.359 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.929 -1.985 -21.863 1.00 0.00 H new ATOM 68 N GLY A 6 9.644 -3.019 -19.566 1.00 0.00 N ATOM 69 CA GLY A 6 10.023 -4.280 -18.909 1.00 0.00 C ATOM 70 C GLY A 6 9.986 -4.270 -17.368 1.00 0.00 C ATOM 71 O GLY A 6 9.935 -5.349 -16.762 1.00 0.00 O ATOM 0 H GLY A 6 10.446 -2.464 -19.863 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.358 -5.067 -19.265 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.031 -4.545 -19.228 1.00 0.00 H new ATOM 75 N ALA A 7 10.004 -3.095 -16.722 1.00 0.00 N ATOM 76 CA ALA A 7 9.980 -2.976 -15.261 1.00 0.00 C ATOM 77 C ALA A 7 9.361 -1.657 -14.749 1.00 0.00 C ATOM 78 O ALA A 7 9.863 -0.564 -15.009 1.00 0.00 O ATOM 79 CB ALA A 7 11.411 -3.154 -14.732 1.00 0.00 C ATOM 0 H ALA A 7 10.036 -2.196 -17.204 1.00 0.00 H new ATOM 0 HA ALA A 7 9.327 -3.760 -14.878 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.411 -3.068 -13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.785 -4.137 -15.018 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.054 -2.383 -15.157 1.00 0.00 H new ATOM 85 N GLU A 8 8.315 -1.778 -13.929 1.00 0.00 N ATOM 86 CA GLU A 8 7.704 -0.683 -13.160 1.00 0.00 C ATOM 87 C GLU A 8 7.592 -1.074 -11.671 1.00 0.00 C ATOM 88 O GLU A 8 7.505 -2.267 -11.355 1.00 0.00 O ATOM 89 CB GLU A 8 6.362 -0.274 -13.803 1.00 0.00 C ATOM 90 CG GLU A 8 5.212 -1.271 -13.572 1.00 0.00 C ATOM 91 CD GLU A 8 3.869 -0.769 -14.115 1.00 0.00 C ATOM 92 OE1 GLU A 8 3.225 0.069 -13.436 1.00 0.00 O ATOM 93 OE2 GLU A 8 3.419 -1.229 -15.193 1.00 0.00 O ATOM 0 H GLU A 8 7.850 -2.673 -13.774 1.00 0.00 H new ATOM 0 HA GLU A 8 8.340 0.202 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.067 0.699 -13.410 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.510 -0.152 -14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.459 -2.220 -14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.116 -1.466 -12.504 1.00 0.00 H new ATOM 100 N TYR A 9 7.623 -0.107 -10.745 1.00 0.00 N ATOM 101 CA TYR A 9 7.816 -0.373 -9.307 1.00 0.00 C ATOM 102 C TYR A 9 6.598 0.072 -8.477 1.00 0.00 C ATOM 103 O TYR A 9 6.600 1.123 -7.830 1.00 0.00 O ATOM 104 CB TYR A 9 9.119 0.299 -8.825 1.00 0.00 C ATOM 105 CG TYR A 9 10.374 0.115 -9.668 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.636 -1.081 -10.372 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.300 1.175 -9.734 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.772 -1.180 -11.200 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.448 1.070 -10.542 1.00 0.00 C ATOM 110 CZ TYR A 9 12.671 -0.098 -11.298 1.00 0.00 C ATOM 111 OH TYR A 9 13.777 -0.179 -12.084 1.00 0.00 O ATOM 0 H TYR A 9 7.515 0.883 -10.968 1.00 0.00 H new ATOM 0 HA TYR A 9 7.908 -1.449 -9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.930 1.369 -8.737 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.334 -0.070 -7.822 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.964 -1.921 -10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.128 2.074 -9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.954 -2.085 -11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.157 1.884 -10.582 1.00 0.00 H new ATOM 0 HH TYR A 9 14.279 0.661 -12.029 1.00 0.00 H new ATOM 121 N ARG A 10 5.535 -0.744 -8.472 1.00 0.00 N ATOM 122 CA ARG A 10 4.370 -0.572 -7.580 1.00 0.00 C ATOM 123 C ARG A 10 3.725 -1.884 -7.143 1.00 0.00 C ATOM 124 O ARG A 10 3.812 -2.896 -7.843 1.00 0.00 O ATOM 125 CB ARG A 10 3.355 0.422 -8.175 1.00 0.00 C ATOM 126 CG ARG A 10 2.798 0.073 -9.570 1.00 0.00 C ATOM 127 CD ARG A 10 2.084 1.270 -10.232 1.00 0.00 C ATOM 128 NE ARG A 10 2.928 2.480 -10.281 1.00 0.00 N ATOM 129 CZ ARG A 10 4.128 2.578 -10.815 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.589 1.722 -11.666 1.00 0.00 N ATOM 131 NH2 ARG A 10 4.944 3.526 -10.497 1.00 0.00 N ATOM 0 H ARG A 10 5.455 -1.551 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 10 4.754 -0.138 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.517 0.511 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.828 1.403 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.614 -0.261 -10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.100 -0.760 -9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.789 0.997 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.169 1.492 -9.682 1.00 0.00 H new ATOM 0 HE ARG A 10 2.543 3.325 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.016 0.928 -11.952 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.526 1.841 -12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.667 4.229 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.866 3.572 -10.930 1.00 0.00 H new ATOM 145 N CYS A 11 3.051 -1.851 -5.998 1.00 0.00 N ATOM 146 CA CYS A 11 2.293 -2.969 -5.443 1.00 0.00 C ATOM 147 C CYS A 11 0.887 -2.545 -4.987 1.00 0.00 C ATOM 148 O CYS A 11 0.660 -1.405 -4.574 1.00 0.00 O ATOM 149 CB CYS A 11 3.112 -3.631 -4.319 1.00 0.00 C ATOM 150 SG CYS A 11 3.235 -2.560 -2.854 1.00 0.00 S ATOM 0 H CYS A 11 3.016 -1.018 -5.411 1.00 0.00 H new ATOM 0 HA CYS A 11 2.128 -3.710 -6.226 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.648 -4.577 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.112 -3.862 -4.686 1.00 0.00 H new ATOM 0 HG CYS A 11 4.276 -1.789 -2.966 1.00 0.00 H new ATOM 156 N PHE A 12 -0.046 -3.491 -5.037 1.00 0.00 N ATOM 157 CA PHE A 12 -1.349 -3.416 -4.388 1.00 0.00 C ATOM 158 C PHE A 12 -1.205 -3.702 -2.883 1.00 0.00 C ATOM 159 O PHE A 12 -0.370 -4.516 -2.477 1.00 0.00 O ATOM 160 CB PHE A 12 -2.271 -4.419 -5.090 1.00 0.00 C ATOM 161 CG PHE A 12 -3.693 -4.501 -4.572 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.515 -3.359 -4.577 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.212 -5.735 -4.136 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.856 -3.456 -4.167 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.552 -5.830 -3.722 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.376 -4.691 -3.747 1.00 0.00 C ATOM 0 H PHE A 12 0.090 -4.362 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.781 -2.419 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.307 -4.167 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.821 -5.409 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.115 -2.408 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.579 -6.610 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.487 -2.580 -4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.948 -6.777 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.410 -4.766 -3.443 1.00 0.00 H new ATOM 176 N VAL A 13 -1.992 -3.007 -2.060 1.00 0.00 N ATOM 177 CA VAL A 13 -1.914 -2.997 -0.591 1.00 0.00 C ATOM 178 C VAL A 13 -3.331 -2.966 -0.008 1.00 0.00 C ATOM 179 O VAL A 13 -4.171 -2.212 -0.498 1.00 0.00 O ATOM 180 CB VAL A 13 -1.144 -1.744 -0.094 1.00 0.00 C ATOM 181 CG1 VAL A 13 -0.703 -1.902 1.363 1.00 0.00 C ATOM 182 CG2 VAL A 13 0.136 -1.405 -0.872 1.00 0.00 C ATOM 0 H VAL A 13 -2.737 -2.406 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.387 -3.894 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.870 -0.944 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.167 -1.008 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.580 -2.043 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.048 -2.769 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.596 -0.514 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.833 -2.240 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.112 -1.219 -1.917 1.00 0.00 H new ATOM 192 N GLY A 14 -3.618 -3.693 1.077 1.00 0.00 N ATOM 193 CA GLY A 14 -4.880 -3.503 1.811 1.00 0.00 C ATOM 194 C GLY A 14 -4.842 -3.951 3.270 1.00 0.00 C ATOM 195 O GLY A 14 -4.433 -5.074 3.567 1.00 0.00 O ATOM 0 H GLY A 14 -3.005 -4.410 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.150 -2.447 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.670 -4.051 1.297 1.00 0.00 H new ATOM 199 N SER A 15 -5.240 -3.033 4.157 1.00 0.00 N ATOM 200 CA SER A 15 -5.257 -3.167 5.629 1.00 0.00 C ATOM 201 C SER A 15 -6.075 -2.064 6.332 1.00 0.00 C ATOM 202 O SER A 15 -5.995 -1.940 7.553 1.00 0.00 O ATOM 203 CB SER A 15 -3.821 -3.062 6.177 1.00 0.00 C ATOM 204 OG SER A 15 -3.692 -3.775 7.384 1.00 0.00 O ATOM 0 H SER A 15 -5.580 -2.120 3.855 1.00 0.00 H new ATOM 0 HA SER A 15 -5.715 -4.135 5.833 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.117 -3.453 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.565 -2.015 6.339 1.00 0.00 H new ATOM 0 HG SER A 15 -2.827 -3.568 7.795 1.00 0.00 H new ATOM 210 N LEU A 16 -6.729 -1.166 5.580 1.00 0.00 N ATOM 211 CA LEU A 16 -7.065 0.185 6.055 1.00 0.00 C ATOM 212 C LEU A 16 -8.499 0.290 6.591 1.00 0.00 C ATOM 213 O LEU A 16 -9.373 -0.553 6.366 1.00 0.00 O ATOM 214 CB LEU A 16 -6.769 1.275 4.990 1.00 0.00 C ATOM 215 CG LEU A 16 -5.533 1.100 4.101 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.473 2.293 3.143 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.236 0.995 4.894 1.00 0.00 C ATOM 0 H LEU A 16 -7.039 -1.355 4.627 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.404 0.375 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.640 1.350 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.675 2.230 5.507 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.629 0.159 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.601 2.196 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.377 2.316 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.398 3.217 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.399 0.873 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.094 1.902 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.286 0.135 5.562 1.00 0.00 H new ATOM 229 N SER A 17 -8.733 1.399 7.276 1.00 0.00 N ATOM 230 CA SER A 17 -9.982 1.736 7.960 1.00 0.00 C ATOM 231 C SER A 17 -10.200 3.248 7.954 1.00 0.00 C ATOM 232 O SER A 17 -9.359 3.999 7.457 1.00 0.00 O ATOM 233 CB SER A 17 -9.960 1.199 9.398 1.00 0.00 C ATOM 234 OG SER A 17 -9.114 1.989 10.211 1.00 0.00 O ATOM 0 H SER A 17 -8.026 2.127 7.378 1.00 0.00 H new ATOM 0 HA SER A 17 -10.810 1.268 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.970 1.199 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.615 0.165 9.401 1.00 0.00 H new ATOM 0 HG SER A 17 -9.113 1.634 11.124 1.00 0.00 H new ATOM 240 N TRP A 18 -11.304 3.715 8.529 1.00 0.00 N ATOM 241 CA TRP A 18 -11.507 5.118 8.908 1.00 0.00 C ATOM 242 C TRP A 18 -10.308 5.761 9.648 1.00 0.00 C ATOM 243 O TRP A 18 -10.125 6.975 9.534 1.00 0.00 O ATOM 244 CB TRP A 18 -12.786 5.194 9.762 1.00 0.00 C ATOM 245 CG TRP A 18 -12.830 4.270 10.950 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.347 3.019 10.953 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.348 4.496 12.311 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.171 2.436 12.192 1.00 0.00 N ATOM 249 CE2 TRP A 18 -12.571 3.309 13.075 1.00 0.00 C ATOM 250 CE3 TRP A 18 -11.760 5.588 12.987 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -12.219 3.209 14.428 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -11.413 5.500 14.351 1.00 0.00 C ATOM 253 CH2 TRP A 18 -11.635 4.313 15.069 1.00 0.00 C ATOM 0 H TRP A 18 -12.102 3.120 8.751 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.604 5.700 7.991 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -12.905 6.218 10.116 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.642 4.976 9.123 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.827 2.546 10.109 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.449 1.482 12.424 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.573 6.506 12.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.395 2.293 14.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.973 6.352 14.848 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -11.357 4.250 16.111 1.00 0.00 H new ATOM 264 N ASN A 19 -9.469 4.993 10.364 1.00 0.00 N ATOM 265 CA ASN A 19 -8.282 5.503 11.070 1.00 0.00 C ATOM 266 C ASN A 19 -7.053 5.680 10.151 1.00 0.00 C ATOM 267 O ASN A 19 -6.328 6.672 10.276 1.00 0.00 O ATOM 268 CB ASN A 19 -7.969 4.542 12.238 1.00 0.00 C ATOM 269 CG ASN A 19 -6.871 5.056 13.159 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.126 5.790 14.104 1.00 0.00 O ATOM 271 ND2 ASN A 19 -5.623 4.700 12.940 1.00 0.00 N ATOM 0 H ASN A 19 -9.598 3.987 10.470 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.507 6.502 11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.876 4.380 12.820 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.672 3.574 11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.882 5.036 13.555 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.397 4.088 12.155 1.00 0.00 H new ATOM 278 N THR A 20 -6.805 4.747 9.229 1.00 0.00 N ATOM 279 CA THR A 20 -5.604 4.733 8.365 1.00 0.00 C ATOM 280 C THR A 20 -5.807 5.499 7.056 1.00 0.00 C ATOM 281 O THR A 20 -6.911 5.546 6.513 1.00 0.00 O ATOM 282 CB THR A 20 -5.133 3.304 8.026 1.00 0.00 C ATOM 283 OG1 THR A 20 -5.657 2.327 8.896 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.610 3.179 8.017 1.00 0.00 C ATOM 0 H THR A 20 -7.436 3.966 9.053 1.00 0.00 H new ATOM 0 HA THR A 20 -4.836 5.233 8.955 1.00 0.00 H new ATOM 0 HB THR A 20 -5.518 3.121 7.023 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.416 2.549 9.820 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.330 2.154 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.194 3.856 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.218 3.438 9.001 1.00 0.00 H new ATOM 292 N ASP A 21 -4.736 6.059 6.493 1.00 0.00 N ATOM 293 CA ASP A 21 -4.738 6.620 5.139 1.00 0.00 C ATOM 294 C ASP A 21 -3.356 6.529 4.442 1.00 0.00 C ATOM 295 O ASP A 21 -2.461 5.857 4.959 1.00 0.00 O ATOM 296 CB ASP A 21 -5.277 8.060 5.213 1.00 0.00 C ATOM 297 CG ASP A 21 -4.347 9.001 5.981 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.404 9.529 5.349 1.00 0.00 O ATOM 299 OD2 ASP A 21 -4.584 9.282 7.182 1.00 0.00 O ATOM 0 H ASP A 21 -3.836 6.137 6.966 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.395 6.022 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.420 8.442 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.256 8.053 5.692 1.00 0.00 H new ATOM 304 N ASP A 22 -3.150 7.185 3.281 1.00 0.00 N ATOM 305 CA ASP A 22 -1.868 7.125 2.544 1.00 0.00 C ATOM 306 C ASP A 22 -0.647 7.470 3.416 1.00 0.00 C ATOM 307 O ASP A 22 0.403 6.849 3.247 1.00 0.00 O ATOM 308 CB ASP A 22 -1.828 8.025 1.284 1.00 0.00 C ATOM 309 CG ASP A 22 -2.083 9.514 1.553 1.00 0.00 C ATOM 310 OD1 ASP A 22 -1.117 10.261 1.833 1.00 0.00 O ATOM 311 OD2 ASP A 22 -3.250 9.965 1.438 1.00 0.00 O ATOM 0 H ASP A 22 -3.858 7.765 2.831 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.810 6.082 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.854 7.917 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.572 7.665 0.573 1.00 0.00 H new ATOM 316 N ARG A 23 -0.782 8.388 4.386 1.00 0.00 N ATOM 317 CA ARG A 23 0.316 8.812 5.273 1.00 0.00 C ATOM 318 C ARG A 23 0.863 7.657 6.116 1.00 0.00 C ATOM 319 O ARG A 23 2.061 7.652 6.411 1.00 0.00 O ATOM 320 CB ARG A 23 -0.166 9.957 6.178 1.00 0.00 C ATOM 321 CG ARG A 23 -0.463 11.242 5.384 1.00 0.00 C ATOM 322 CD ARG A 23 -1.159 12.303 6.244 1.00 0.00 C ATOM 323 NE ARG A 23 -2.523 11.878 6.609 1.00 0.00 N ATOM 324 CZ ARG A 23 -3.460 12.608 7.180 1.00 0.00 C ATOM 325 NH1 ARG A 23 -3.292 13.871 7.428 1.00 0.00 N ATOM 326 NH2 ARG A 23 -4.590 12.062 7.514 1.00 0.00 N ATOM 0 H ARG A 23 -1.664 8.862 4.579 1.00 0.00 H new ATOM 0 HA ARG A 23 1.136 9.159 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.065 9.644 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.593 10.165 6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.469 11.649 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.092 11.001 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.577 12.483 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.202 13.246 5.700 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.769 10.911 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.414 14.327 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.038 14.407 7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.750 11.071 7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.317 12.624 7.956 1.00 0.00 H new ATOM 340 N GLY A 24 0.021 6.677 6.457 1.00 0.00 N ATOM 341 CA GLY A 24 0.387 5.481 7.215 1.00 0.00 C ATOM 342 C GLY A 24 1.140 4.436 6.385 1.00 0.00 C ATOM 343 O GLY A 24 2.096 3.846 6.892 1.00 0.00 O ATOM 0 H GLY A 24 -0.967 6.697 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.006 5.774 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.517 5.028 7.621 1.00 0.00 H new ATOM 347 N LEU A 25 0.776 4.251 5.106 1.00 0.00 N ATOM 348 CA LEU A 25 1.552 3.415 4.171 1.00 0.00 C ATOM 349 C LEU A 25 2.877 4.088 3.793 1.00 0.00 C ATOM 350 O LEU A 25 3.927 3.455 3.843 1.00 0.00 O ATOM 351 CB LEU A 25 0.771 3.065 2.883 1.00 0.00 C ATOM 352 CG LEU A 25 -0.507 2.219 2.993 1.00 0.00 C ATOM 353 CD1 LEU A 25 -0.331 1.000 3.899 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.700 3.048 3.460 1.00 0.00 C ATOM 0 H LEU A 25 -0.056 4.671 4.692 1.00 0.00 H new ATOM 0 HA LEU A 25 1.751 2.485 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.504 4.002 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.455 2.542 2.215 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.708 1.857 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.265 0.439 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.458 0.362 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.061 1.329 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.583 2.412 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.486 3.472 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.884 3.853 2.749 1.00 0.00 H new ATOM 366 N GLU A 26 2.844 5.383 3.475 1.00 0.00 N ATOM 367 CA GLU A 26 4.021 6.201 3.160 1.00 0.00 C ATOM 368 C GLU A 26 5.067 6.139 4.294 1.00 0.00 C ATOM 369 O GLU A 26 6.266 6.064 4.032 1.00 0.00 O ATOM 370 CB GLU A 26 3.516 7.633 2.898 1.00 0.00 C ATOM 371 CG GLU A 26 4.557 8.621 2.365 1.00 0.00 C ATOM 372 CD GLU A 26 3.980 10.043 2.362 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.006 10.678 3.445 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.509 10.537 1.308 1.00 0.00 O ATOM 0 H GLU A 26 1.972 5.910 3.428 1.00 0.00 H new ATOM 0 HA GLU A 26 4.535 5.824 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.693 7.583 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.109 8.030 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.454 8.585 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.855 8.339 1.355 1.00 0.00 H new ATOM 381 N ALA A 27 4.626 6.068 5.554 1.00 0.00 N ATOM 382 CA ALA A 27 5.494 5.893 6.719 1.00 0.00 C ATOM 383 C ALA A 27 5.968 4.444 6.951 1.00 0.00 C ATOM 384 O ALA A 27 7.124 4.234 7.324 1.00 0.00 O ATOM 385 CB ALA A 27 4.746 6.448 7.929 1.00 0.00 C ATOM 0 H ALA A 27 3.637 6.132 5.795 1.00 0.00 H new ATOM 0 HA ALA A 27 6.421 6.439 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.362 6.335 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.528 7.504 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.812 5.901 8.062 1.00 0.00 H new ATOM 391 N ALA A 28 5.122 3.440 6.696 1.00 0.00 N ATOM 392 CA ALA A 28 5.474 2.024 6.864 1.00 0.00 C ATOM 393 C ALA A 28 6.411 1.477 5.767 1.00 0.00 C ATOM 394 O ALA A 28 7.148 0.522 6.021 1.00 0.00 O ATOM 395 CB ALA A 28 4.182 1.205 6.925 1.00 0.00 C ATOM 0 H ALA A 28 4.168 3.587 6.365 1.00 0.00 H new ATOM 0 HA ALA A 28 6.037 1.936 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.426 0.150 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.578 1.540 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.621 1.341 6.000 1.00 0.00 H new ATOM 401 N PHE A 29 6.391 2.068 4.565 1.00 0.00 N ATOM 402 CA PHE A 29 7.267 1.705 3.443 1.00 0.00 C ATOM 403 C PHE A 29 8.529 2.584 3.336 1.00 0.00 C ATOM 404 O PHE A 29 9.532 2.126 2.789 1.00 0.00 O ATOM 405 CB PHE A 29 6.469 1.734 2.126 1.00 0.00 C ATOM 406 CG PHE A 29 5.610 0.510 1.842 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.354 0.350 2.461 1.00 0.00 C ATOM 408 CD2 PHE A 29 6.049 -0.455 0.912 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.541 -0.754 2.144 1.00 0.00 C ATOM 410 CE2 PHE A 29 5.235 -1.558 0.594 1.00 0.00 C ATOM 411 CZ PHE A 29 3.979 -1.705 1.207 1.00 0.00 C ATOM 0 H PHE A 29 5.750 2.829 4.340 1.00 0.00 H new ATOM 0 HA PHE A 29 7.625 0.694 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.824 2.613 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.170 1.861 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.014 1.078 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.015 -0.347 0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.579 -0.870 2.621 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.576 -2.292 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.351 -2.548 0.958 1.00 0.00 H new ATOM 421 N SER A 30 8.541 3.813 3.874 1.00 0.00 N ATOM 422 CA SER A 30 9.714 4.709 3.779 1.00 0.00 C ATOM 423 C SER A 30 10.964 4.209 4.514 1.00 0.00 C ATOM 424 O SER A 30 12.064 4.692 4.250 1.00 0.00 O ATOM 425 CB SER A 30 9.394 6.157 4.162 1.00 0.00 C ATOM 426 OG SER A 30 8.588 6.230 5.320 1.00 0.00 O ATOM 0 H SER A 30 7.752 4.214 4.381 1.00 0.00 H new ATOM 0 HA SER A 30 9.964 4.691 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.323 6.701 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.884 6.647 3.333 1.00 0.00 H new ATOM 0 HG SER A 30 7.643 6.217 5.062 1.00 0.00 H new ATOM 432 N SER A 31 10.844 3.237 5.421 1.00 0.00 N ATOM 433 CA SER A 31 11.984 2.519 6.018 1.00 0.00 C ATOM 434 C SER A 31 12.741 1.606 5.029 1.00 0.00 C ATOM 435 O SER A 31 13.895 1.249 5.286 1.00 0.00 O ATOM 436 CB SER A 31 11.499 1.736 7.245 1.00 0.00 C ATOM 437 OG SER A 31 10.322 1.012 6.942 1.00 0.00 O ATOM 0 H SER A 31 9.940 2.918 5.770 1.00 0.00 H new ATOM 0 HA SER A 31 12.716 3.269 6.318 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.279 1.050 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.307 2.423 8.069 1.00 0.00 H new ATOM 0 HG SER A 31 10.480 0.442 6.161 1.00 0.00 H new ATOM 443 N PHE A 32 12.147 1.270 3.877 1.00 0.00 N ATOM 444 CA PHE A 32 12.780 0.486 2.804 1.00 0.00 C ATOM 445 C PHE A 32 13.383 1.340 1.673 1.00 0.00 C ATOM 446 O PHE A 32 14.320 0.891 1.005 1.00 0.00 O ATOM 447 CB PHE A 32 11.763 -0.524 2.252 1.00 0.00 C ATOM 448 CG PHE A 32 11.285 -1.547 3.267 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.209 -1.253 4.126 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.919 -2.802 3.352 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.763 -2.209 5.055 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.466 -3.761 4.276 1.00 0.00 C ATOM 453 CZ PHE A 32 10.385 -3.466 5.123 1.00 0.00 C ATOM 0 H PHE A 32 11.189 1.542 3.658 1.00 0.00 H new ATOM 0 HA PHE A 32 13.629 -0.035 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.900 0.020 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.211 -1.049 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.724 -0.289 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.755 -3.028 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.942 -1.977 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.950 -4.725 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.032 -4.206 5.826 1.00 0.00 H new ATOM 463 N GLY A 33 12.866 2.551 1.434 1.00 0.00 N ATOM 464 CA GLY A 33 13.333 3.421 0.351 1.00 0.00 C ATOM 465 C GLY A 33 12.534 4.712 0.172 1.00 0.00 C ATOM 466 O GLY A 33 11.742 5.092 1.032 1.00 0.00 O ATOM 0 H GLY A 33 12.111 2.955 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.376 3.679 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.304 2.861 -0.583 1.00 0.00 H new ATOM 470 N GLU A 34 12.753 5.399 -0.948 1.00 0.00 N ATOM 471 CA GLU A 34 12.184 6.720 -1.260 1.00 0.00 C ATOM 472 C GLU A 34 10.897 6.585 -2.096 1.00 0.00 C ATOM 473 O GLU A 34 10.911 6.037 -3.204 1.00 0.00 O ATOM 474 CB GLU A 34 13.263 7.602 -1.925 1.00 0.00 C ATOM 475 CG GLU A 34 14.356 7.975 -0.906 1.00 0.00 C ATOM 476 CD GLU A 34 15.564 8.715 -1.499 1.00 0.00 C ATOM 477 OE1 GLU A 34 16.409 8.077 -2.174 1.00 0.00 O ATOM 478 OE2 GLU A 34 15.746 9.925 -1.217 1.00 0.00 O ATOM 0 H GLU A 34 13.352 5.043 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 34 11.882 7.220 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.708 7.071 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.806 8.507 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.912 8.598 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.708 7.064 -0.422 1.00 0.00 H new ATOM 485 N ILE A 35 9.770 7.066 -1.560 1.00 0.00 N ATOM 486 CA ILE A 35 8.422 6.879 -2.130 1.00 0.00 C ATOM 487 C ILE A 35 8.210 7.684 -3.419 1.00 0.00 C ATOM 488 O ILE A 35 8.668 8.821 -3.543 1.00 0.00 O ATOM 489 CB ILE A 35 7.345 7.194 -1.056 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.286 6.093 0.029 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.932 7.434 -1.626 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.774 4.724 -0.452 1.00 0.00 C ATOM 0 H ILE A 35 9.765 7.610 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 35 8.322 5.833 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 35 7.668 8.135 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.285 5.963 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.644 6.438 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.242 7.647 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.955 8.281 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.599 6.544 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.771 4.023 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.761 4.830 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.427 4.348 -1.240 1.00 0.00 H new ATOM 504 N LEU A 36 7.454 7.107 -4.357 1.00 0.00 N ATOM 505 CA LEU A 36 6.918 7.776 -5.546 1.00 0.00 C ATOM 506 C LEU A 36 5.445 8.173 -5.344 1.00 0.00 C ATOM 507 O LEU A 36 5.091 9.336 -5.547 1.00 0.00 O ATOM 508 CB LEU A 36 7.100 6.863 -6.776 1.00 0.00 C ATOM 509 CG LEU A 36 8.563 6.562 -7.160 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.624 5.554 -8.306 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.311 7.817 -7.606 1.00 0.00 C ATOM 0 H LEU A 36 7.188 6.123 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 36 7.471 8.700 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.589 5.919 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.605 7.327 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 36 9.036 6.159 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.665 5.356 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.142 4.625 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.108 5.961 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.337 7.556 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.814 8.247 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.317 8.545 -6.795 1.00 0.00 H new ATOM 523 N ASP A 37 4.592 7.252 -4.884 1.00 0.00 N ATOM 524 CA ASP A 37 3.139 7.456 -4.738 1.00 0.00 C ATOM 525 C ASP A 37 2.540 6.524 -3.661 1.00 0.00 C ATOM 526 O ASP A 37 3.043 5.418 -3.447 1.00 0.00 O ATOM 527 CB ASP A 37 2.428 7.184 -6.082 1.00 0.00 C ATOM 528 CG ASP A 37 2.653 8.251 -7.162 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.874 9.232 -7.222 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.528 8.082 -8.045 1.00 0.00 O ATOM 0 H ASP A 37 4.895 6.322 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 37 2.984 8.490 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.767 6.222 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.357 7.095 -5.898 1.00 0.00 H new ATOM 535 N ALA A 38 1.439 6.933 -3.018 1.00 0.00 N ATOM 536 CA ALA A 38 0.589 6.095 -2.185 1.00 0.00 C ATOM 537 C ALA A 38 -0.872 6.563 -2.343 1.00 0.00 C ATOM 538 O ALA A 38 -1.198 7.708 -2.014 1.00 0.00 O ATOM 539 CB ALA A 38 1.076 6.181 -0.730 1.00 0.00 C ATOM 0 H ALA A 38 1.109 7.897 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 38 0.641 5.050 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.445 5.556 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.107 5.833 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.021 7.215 -0.389 1.00 0.00 H new ATOM 545 N LYS A 39 -1.754 5.677 -2.820 1.00 0.00 N ATOM 546 CA LYS A 39 -3.195 5.927 -3.010 1.00 0.00 C ATOM 547 C LYS A 39 -3.973 5.327 -1.847 1.00 0.00 C ATOM 548 O LYS A 39 -3.671 4.219 -1.417 1.00 0.00 O ATOM 549 CB LYS A 39 -3.662 5.316 -4.351 1.00 0.00 C ATOM 550 CG LYS A 39 -5.187 5.321 -4.627 1.00 0.00 C ATOM 551 CD LYS A 39 -5.758 6.739 -4.803 1.00 0.00 C ATOM 552 CE LYS A 39 -7.252 6.671 -5.148 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.807 8.002 -5.497 1.00 0.00 N ATOM 0 H LYS A 39 -1.479 4.734 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.379 7.001 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.168 5.855 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.312 4.285 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.391 4.738 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.702 4.827 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.615 7.313 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.218 7.260 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.400 5.987 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.801 6.261 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.818 7.908 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.691 8.649 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.302 8.383 -6.322 1.00 0.00 H new ATOM 567 N ILE A 40 -5.018 6.023 -1.411 1.00 0.00 N ATOM 568 CA ILE A 40 -6.059 5.515 -0.512 1.00 0.00 C ATOM 569 C ILE A 40 -7.438 5.745 -1.141 1.00 0.00 C ATOM 570 O ILE A 40 -7.667 6.789 -1.757 1.00 0.00 O ATOM 571 CB ILE A 40 -5.896 6.129 0.896 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.926 5.566 1.897 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.850 7.670 0.894 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.242 6.350 2.061 1.00 0.00 C ATOM 0 H ILE A 40 -5.173 6.994 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.958 4.438 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.912 5.815 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.173 4.549 1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.447 5.499 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.734 8.032 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.007 8.008 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.776 8.061 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.876 5.848 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.023 7.361 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.760 6.396 1.103 1.00 0.00 H new ATOM 586 N ILE A 41 -8.339 4.764 -1.016 1.00 0.00 N ATOM 587 CA ILE A 41 -9.659 4.776 -1.673 1.00 0.00 C ATOM 588 C ILE A 41 -10.856 4.551 -0.725 1.00 0.00 C ATOM 589 O ILE A 41 -10.827 3.737 0.208 1.00 0.00 O ATOM 590 CB ILE A 41 -9.634 3.855 -2.913 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.928 3.965 -3.744 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.280 2.396 -2.575 1.00 0.00 C ATOM 593 CD1 ILE A 41 -10.781 3.366 -5.149 1.00 0.00 C ATOM 0 H ILE A 41 -8.175 3.930 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.843 5.792 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.821 4.220 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.737 3.456 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.213 5.014 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.279 1.801 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.292 2.358 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.018 1.994 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.722 3.471 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.992 3.891 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.524 2.310 -5.069 1.00 0.00 H new ATOM 605 N ASN A 42 -11.915 5.327 -0.980 1.00 0.00 N ATOM 606 CA ASN A 42 -13.164 5.438 -0.221 1.00 0.00 C ATOM 607 C ASN A 42 -14.317 5.939 -1.131 1.00 0.00 C ATOM 608 O ASN A 42 -14.080 6.348 -2.268 1.00 0.00 O ATOM 609 CB ASN A 42 -12.913 6.365 0.997 1.00 0.00 C ATOM 610 CG ASN A 42 -12.401 7.761 0.664 1.00 0.00 C ATOM 611 OD1 ASN A 42 -12.613 8.292 -0.419 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.693 8.390 1.578 1.00 0.00 N ATOM 0 H ASN A 42 -11.920 5.945 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.477 4.461 0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.844 6.462 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.194 5.881 1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.321 9.320 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.516 7.948 2.480 1.00 0.00 H new ATOM 619 N ASP A 43 -15.556 5.912 -0.638 1.00 0.00 N ATOM 620 CA ASP A 43 -16.751 6.515 -1.250 1.00 0.00 C ATOM 621 C ASP A 43 -17.517 7.342 -0.192 1.00 0.00 C ATOM 622 O ASP A 43 -18.231 6.801 0.657 1.00 0.00 O ATOM 623 CB ASP A 43 -17.633 5.415 -1.879 1.00 0.00 C ATOM 624 CG ASP A 43 -17.133 4.970 -3.257 1.00 0.00 C ATOM 625 OD1 ASP A 43 -17.272 5.736 -4.241 1.00 0.00 O ATOM 626 OD2 ASP A 43 -16.585 3.848 -3.398 1.00 0.00 O ATOM 0 H ASP A 43 -15.769 5.446 0.244 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.457 7.194 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -17.662 4.553 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -18.655 5.783 -1.970 1.00 0.00 H new ATOM 631 N ARG A 44 -17.341 8.673 -0.203 1.00 0.00 N ATOM 632 CA ARG A 44 -17.868 9.587 0.834 1.00 0.00 C ATOM 633 C ARG A 44 -19.384 9.821 0.811 1.00 0.00 C ATOM 634 O ARG A 44 -19.925 10.346 1.785 1.00 0.00 O ATOM 635 CB ARG A 44 -17.077 10.909 0.832 1.00 0.00 C ATOM 636 CG ARG A 44 -17.350 11.808 -0.385 1.00 0.00 C ATOM 637 CD ARG A 44 -16.492 13.076 -0.309 1.00 0.00 C ATOM 638 NE ARG A 44 -16.736 13.965 -1.458 1.00 0.00 N ATOM 639 CZ ARG A 44 -17.629 14.939 -1.531 1.00 0.00 C ATOM 640 NH1 ARG A 44 -18.469 15.220 -0.575 1.00 0.00 N ATOM 641 NH2 ARG A 44 -17.717 15.683 -2.592 1.00 0.00 N ATOM 0 H ARG A 44 -16.824 9.154 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.712 9.069 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -17.316 11.463 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.012 10.681 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.129 11.265 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -18.406 12.076 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.710 13.609 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.438 12.801 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.156 13.814 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.460 14.676 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.135 15.984 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.093 15.520 -3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.410 16.430 -2.635 1.00 0.00 H new ATOM 655 N GLU A 45 -20.097 9.425 -0.245 1.00 0.00 N ATOM 656 CA GLU A 45 -21.569 9.458 -0.291 1.00 0.00 C ATOM 657 C GLU A 45 -22.173 8.386 0.631 1.00 0.00 C ATOM 658 O GLU A 45 -23.133 8.666 1.352 1.00 0.00 O ATOM 659 CB GLU A 45 -22.058 9.278 -1.742 1.00 0.00 C ATOM 660 CG GLU A 45 -23.563 9.535 -1.907 1.00 0.00 C ATOM 661 CD GLU A 45 -24.021 9.255 -3.343 1.00 0.00 C ATOM 662 OE1 GLU A 45 -23.792 10.112 -4.235 1.00 0.00 O ATOM 663 OE2 GLU A 45 -24.599 8.165 -3.585 1.00 0.00 O ATOM 0 H GLU A 45 -19.671 9.069 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 45 -21.905 10.430 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -21.506 9.957 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -21.830 8.265 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -24.120 8.903 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -23.788 10.569 -1.646 1.00 0.00 H new ATOM 670 N THR A 46 -21.577 7.189 0.670 1.00 0.00 N ATOM 671 CA THR A 46 -21.961 6.086 1.573 1.00 0.00 C ATOM 672 C THR A 46 -21.096 6.022 2.840 1.00 0.00 C ATOM 673 O THR A 46 -21.313 5.176 3.708 1.00 0.00 O ATOM 674 CB THR A 46 -21.942 4.730 0.845 1.00 0.00 C ATOM 675 OG1 THR A 46 -20.627 4.379 0.500 1.00 0.00 O ATOM 676 CG2 THR A 46 -22.754 4.740 -0.453 1.00 0.00 C ATOM 0 H THR A 46 -20.794 6.950 0.061 1.00 0.00 H new ATOM 0 HA THR A 46 -22.982 6.300 1.890 1.00 0.00 H new ATOM 0 HB THR A 46 -22.383 4.016 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.629 3.514 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -22.703 3.757 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.793 4.983 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.344 5.487 -1.133 1.00 0.00 H new ATOM 684 N GLY A 47 -20.098 6.908 2.961 1.00 0.00 N ATOM 685 CA GLY A 47 -19.155 6.975 4.083 1.00 0.00 C ATOM 686 C GLY A 47 -18.180 5.792 4.156 1.00 0.00 C ATOM 687 O GLY A 47 -17.560 5.568 5.201 1.00 0.00 O ATOM 0 H GLY A 47 -19.920 7.622 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.582 7.899 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.719 7.025 5.015 1.00 0.00 H new ATOM 691 N ARG A 48 -18.068 4.998 3.084 1.00 0.00 N ATOM 692 CA ARG A 48 -17.378 3.701 3.068 1.00 0.00 C ATOM 693 C ARG A 48 -15.905 3.863 2.702 1.00 0.00 C ATOM 694 O ARG A 48 -15.576 4.180 1.562 1.00 0.00 O ATOM 695 CB ARG A 48 -18.148 2.762 2.116 1.00 0.00 C ATOM 696 CG ARG A 48 -17.674 1.300 2.130 1.00 0.00 C ATOM 697 CD ARG A 48 -16.570 0.987 1.110 1.00 0.00 C ATOM 698 NE ARG A 48 -16.089 -0.401 1.262 1.00 0.00 N ATOM 699 CZ ARG A 48 -15.962 -1.315 0.316 1.00 0.00 C ATOM 700 NH1 ARG A 48 -16.186 -1.084 -0.943 1.00 0.00 N ATOM 701 NH2 ARG A 48 -15.560 -2.514 0.609 1.00 0.00 N ATOM 0 H ARG A 48 -18.466 5.246 2.178 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.374 3.254 4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.206 2.789 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -18.062 3.147 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.310 1.057 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -18.528 0.651 1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.951 1.135 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.740 1.680 1.243 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.825 -0.687 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.477 -0.155 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.071 -1.832 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.340 -2.756 1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.465 -3.214 -0.127 1.00 0.00 H new ATOM 715 N SER A 49 -14.997 3.578 3.630 1.00 0.00 N ATOM 716 CA SER A 49 -13.574 3.410 3.298 1.00 0.00 C ATOM 717 C SER A 49 -13.363 2.024 2.678 1.00 0.00 C ATOM 718 O SER A 49 -13.769 1.027 3.278 1.00 0.00 O ATOM 719 CB SER A 49 -12.702 3.642 4.537 1.00 0.00 C ATOM 720 OG SER A 49 -12.682 5.028 4.840 1.00 0.00 O ATOM 0 H SER A 49 -15.214 3.457 4.619 1.00 0.00 H new ATOM 0 HA SER A 49 -13.269 4.155 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.094 3.078 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.689 3.282 4.356 1.00 0.00 H new ATOM 0 HG SER A 49 -12.127 5.182 5.633 1.00 0.00 H new ATOM 726 N ARG A 50 -12.767 1.926 1.477 1.00 0.00 N ATOM 727 CA ARG A 50 -12.574 0.620 0.803 1.00 0.00 C ATOM 728 C ARG A 50 -11.524 -0.222 1.520 1.00 0.00 C ATOM 729 O ARG A 50 -11.656 -1.439 1.611 1.00 0.00 O ATOM 730 CB ARG A 50 -12.214 0.779 -0.687 1.00 0.00 C ATOM 731 CG ARG A 50 -13.312 1.479 -1.508 1.00 0.00 C ATOM 732 CD ARG A 50 -13.324 1.070 -2.990 1.00 0.00 C ATOM 733 NE ARG A 50 -13.761 -0.326 -3.178 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.269 -0.868 -4.268 1.00 0.00 C ATOM 735 NH1 ARG A 50 -14.449 -0.208 -5.374 1.00 0.00 N ATOM 736 NH2 ARG A 50 -14.617 -2.115 -4.253 1.00 0.00 N ATOM 0 H ARG A 50 -12.412 2.725 0.953 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.530 0.098 0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.288 1.349 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.022 -0.205 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.283 1.252 -1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.175 2.558 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.988 1.735 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.325 1.196 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.659 -0.943 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.193 0.778 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.846 -0.676 -6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.497 -2.668 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.011 -2.545 -5.090 1.00 0.00 H new ATOM 750 N GLY A 51 -10.517 0.438 2.082 1.00 0.00 N ATOM 751 CA GLY A 51 -9.500 -0.167 2.948 1.00 0.00 C ATOM 752 C GLY A 51 -8.243 -0.656 2.213 1.00 0.00 C ATOM 753 O GLY A 51 -7.442 -1.413 2.767 1.00 0.00 O ATOM 0 H GLY A 51 -10.378 1.439 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.203 0.562 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.946 -1.009 3.477 1.00 0.00 H new ATOM 757 N PHE A 52 -8.069 -0.217 0.966 1.00 0.00 N ATOM 758 CA PHE A 52 -7.014 -0.622 0.036 1.00 0.00 C ATOM 759 C PHE A 52 -6.289 0.597 -0.554 1.00 0.00 C ATOM 760 O PHE A 52 -6.739 1.742 -0.429 1.00 0.00 O ATOM 761 CB PHE A 52 -7.599 -1.502 -1.084 1.00 0.00 C ATOM 762 CG PHE A 52 -8.117 -2.861 -0.659 1.00 0.00 C ATOM 763 CD1 PHE A 52 -7.267 -3.980 -0.683 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.466 -3.022 -0.293 1.00 0.00 C ATOM 765 CE1 PHE A 52 -7.750 -5.247 -0.310 1.00 0.00 C ATOM 766 CE2 PHE A 52 -9.951 -4.286 0.080 1.00 0.00 C ATOM 767 CZ PHE A 52 -9.092 -5.399 0.080 1.00 0.00 C ATOM 0 H PHE A 52 -8.698 0.472 0.554 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.279 -1.205 0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.415 -0.957 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.830 -1.649 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.238 -3.866 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.131 -2.171 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.091 -6.102 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.985 -4.403 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.462 -6.368 0.379 1.00 0.00 H new ATOM 777 N GLY A 53 -5.162 0.333 -1.210 1.00 0.00 N ATOM 778 CA GLY A 53 -4.314 1.325 -1.850 1.00 0.00 C ATOM 779 C GLY A 53 -3.312 0.716 -2.831 1.00 0.00 C ATOM 780 O GLY A 53 -3.065 -0.489 -2.835 1.00 0.00 O ATOM 0 H GLY A 53 -4.804 -0.617 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.941 2.043 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.772 1.879 -1.084 1.00 0.00 H new ATOM 784 N PHE A 54 -2.718 1.569 -3.660 1.00 0.00 N ATOM 785 CA PHE A 54 -1.548 1.238 -4.480 1.00 0.00 C ATOM 786 C PHE A 54 -0.350 2.064 -4.002 1.00 0.00 C ATOM 787 O PHE A 54 -0.486 3.273 -3.794 1.00 0.00 O ATOM 788 CB PHE A 54 -1.864 1.438 -5.970 1.00 0.00 C ATOM 789 CG PHE A 54 -2.806 0.390 -6.541 1.00 0.00 C ATOM 790 CD1 PHE A 54 -4.201 0.531 -6.401 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.286 -0.742 -7.199 1.00 0.00 C ATOM 792 CE1 PHE A 54 -5.067 -0.460 -6.899 1.00 0.00 C ATOM 793 CE2 PHE A 54 -3.152 -1.725 -7.711 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.543 -1.588 -7.555 1.00 0.00 C ATOM 0 H PHE A 54 -3.039 2.529 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.288 0.186 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.305 2.425 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.932 1.423 -6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.607 1.403 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.218 -0.855 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.135 -0.354 -6.777 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.749 -2.585 -8.224 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.208 -2.348 -7.938 1.00 0.00 H new ATOM 804 N VAL A 55 0.816 1.442 -3.822 1.00 0.00 N ATOM 805 CA VAL A 55 2.030 2.087 -3.281 1.00 0.00 C ATOM 806 C VAL A 55 3.222 1.862 -4.218 1.00 0.00 C ATOM 807 O VAL A 55 3.371 0.782 -4.790 1.00 0.00 O ATOM 808 CB VAL A 55 2.299 1.627 -1.828 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.612 2.180 -1.257 1.00 0.00 C ATOM 810 CG2 VAL A 55 1.179 2.116 -0.898 1.00 0.00 C ATOM 0 H VAL A 55 0.954 0.457 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 55 1.871 3.164 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 55 2.352 0.539 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.744 1.822 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.447 1.842 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.579 3.269 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.381 1.785 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.134 3.205 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.225 1.706 -1.230 1.00 0.00 H new ATOM 820 N SER A 56 4.050 2.896 -4.392 1.00 0.00 N ATOM 821 CA SER A 56 5.156 2.944 -5.354 1.00 0.00 C ATOM 822 C SER A 56 6.406 3.625 -4.778 1.00 0.00 C ATOM 823 O SER A 56 6.320 4.520 -3.934 1.00 0.00 O ATOM 824 CB SER A 56 4.678 3.669 -6.614 1.00 0.00 C ATOM 825 OG SER A 56 5.659 3.611 -7.627 1.00 0.00 O ATOM 0 H SER A 56 3.966 3.754 -3.847 1.00 0.00 H new ATOM 0 HA SER A 56 5.448 1.922 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.753 3.216 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.454 4.709 -6.378 1.00 0.00 H new ATOM 0 HG SER A 56 5.888 2.675 -7.808 1.00 0.00 H new ATOM 831 N PHE A 57 7.581 3.194 -5.237 1.00 0.00 N ATOM 832 CA PHE A 57 8.889 3.395 -4.594 1.00 0.00 C ATOM 833 C PHE A 57 10.014 3.402 -5.639 1.00 0.00 C ATOM 834 O PHE A 57 9.918 2.759 -6.681 1.00 0.00 O ATOM 835 CB PHE A 57 9.140 2.295 -3.532 1.00 0.00 C ATOM 836 CG PHE A 57 8.236 1.075 -3.644 1.00 0.00 C ATOM 837 CD1 PHE A 57 8.278 0.283 -4.807 1.00 0.00 C ATOM 838 CD2 PHE A 57 7.258 0.818 -2.662 1.00 0.00 C ATOM 839 CE1 PHE A 57 7.322 -0.726 -5.008 1.00 0.00 C ATOM 840 CE2 PHE A 57 6.326 -0.219 -2.849 1.00 0.00 C ATOM 841 CZ PHE A 57 6.354 -0.984 -4.027 1.00 0.00 C ATOM 0 H PHE A 57 7.655 2.670 -6.109 1.00 0.00 H new ATOM 0 HA PHE A 57 8.882 4.365 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.177 1.968 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.014 2.732 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.047 0.452 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.224 1.418 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.332 -1.304 -5.920 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.589 -0.427 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.630 -1.771 -4.177 1.00 0.00 H new ATOM 851 N SER A 58 11.098 4.126 -5.358 1.00 0.00 N ATOM 852 CA SER A 58 12.072 4.526 -6.385 1.00 0.00 C ATOM 853 C SER A 58 13.105 3.452 -6.778 1.00 0.00 C ATOM 854 O SER A 58 13.861 3.681 -7.722 1.00 0.00 O ATOM 855 CB SER A 58 12.780 5.823 -5.961 1.00 0.00 C ATOM 856 OG SER A 58 11.850 6.838 -5.613 1.00 0.00 O ATOM 0 H SER A 58 11.329 4.452 -4.419 1.00 0.00 H new ATOM 0 HA SER A 58 11.483 4.683 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.433 5.621 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.415 6.174 -6.775 1.00 0.00 H new ATOM 0 HG SER A 58 11.498 6.665 -4.715 1.00 0.00 H new ATOM 862 N ASN A 59 13.180 2.304 -6.088 1.00 0.00 N ATOM 863 CA ASN A 59 14.204 1.266 -6.319 1.00 0.00 C ATOM 864 C ASN A 59 13.666 -0.174 -6.178 1.00 0.00 C ATOM 865 O ASN A 59 12.722 -0.435 -5.430 1.00 0.00 O ATOM 866 CB ASN A 59 15.388 1.496 -5.357 1.00 0.00 C ATOM 867 CG ASN A 59 16.160 2.775 -5.641 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.046 3.786 -4.955 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.977 2.781 -6.663 1.00 0.00 N ATOM 0 H ASN A 59 12.525 2.065 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 59 14.530 1.362 -7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.014 1.526 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.069 0.648 -5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.512 3.621 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.079 1.946 -7.239 1.00 0.00 H new ATOM 876 N GLU A 60 14.318 -1.128 -6.853 1.00 0.00 N ATOM 877 CA GLU A 60 13.913 -2.547 -6.874 1.00 0.00 C ATOM 878 C GLU A 60 14.200 -3.281 -5.555 1.00 0.00 C ATOM 879 O GLU A 60 13.337 -4.005 -5.063 1.00 0.00 O ATOM 880 CB GLU A 60 14.588 -3.305 -8.033 1.00 0.00 C ATOM 881 CG GLU A 60 13.976 -2.992 -9.403 1.00 0.00 C ATOM 882 CD GLU A 60 14.443 -3.988 -10.476 1.00 0.00 C ATOM 883 OE1 GLU A 60 15.592 -3.858 -10.974 1.00 0.00 O ATOM 884 OE2 GLU A 60 13.673 -4.913 -10.835 1.00 0.00 O ATOM 0 H GLU A 60 15.152 -0.939 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 60 12.833 -2.537 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.649 -3.055 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.516 -4.377 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.889 -3.019 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.251 -1.980 -9.702 1.00 0.00 H new ATOM 891 N GLN A 61 15.367 -3.074 -4.937 1.00 0.00 N ATOM 892 CA GLN A 61 15.709 -3.692 -3.649 1.00 0.00 C ATOM 893 C GLN A 61 14.765 -3.216 -2.530 1.00 0.00 C ATOM 894 O GLN A 61 14.356 -4.017 -1.691 1.00 0.00 O ATOM 895 CB GLN A 61 17.196 -3.426 -3.350 1.00 0.00 C ATOM 896 CG GLN A 61 17.699 -4.140 -2.082 1.00 0.00 C ATOM 897 CD GLN A 61 19.226 -4.158 -1.965 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.964 -4.306 -2.933 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.777 -4.056 -0.776 1.00 0.00 N ATOM 0 H GLN A 61 16.101 -2.474 -5.314 1.00 0.00 H new ATOM 0 HA GLN A 61 15.566 -4.771 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.794 -3.749 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.351 -2.353 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.280 -3.647 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.329 -5.165 -2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.190 -3.932 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.791 -4.101 -0.678 1.00 0.00 H new ATOM 908 N ALA A 62 14.324 -1.951 -2.585 1.00 0.00 N ATOM 909 CA ALA A 62 13.302 -1.409 -1.690 1.00 0.00 C ATOM 910 C ALA A 62 11.944 -2.107 -1.880 1.00 0.00 C ATOM 911 O ALA A 62 11.345 -2.555 -0.904 1.00 0.00 O ATOM 912 CB ALA A 62 13.194 0.103 -1.923 1.00 0.00 C ATOM 0 H ALA A 62 14.673 -1.271 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 62 13.598 -1.597 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.435 0.520 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.155 0.573 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.915 0.292 -2.960 1.00 0.00 H new ATOM 918 N MET A 63 11.489 -2.260 -3.131 1.00 0.00 N ATOM 919 CA MET A 63 10.268 -3.006 -3.467 1.00 0.00 C ATOM 920 C MET A 63 10.334 -4.457 -2.962 1.00 0.00 C ATOM 921 O MET A 63 9.384 -4.948 -2.356 1.00 0.00 O ATOM 922 CB MET A 63 10.064 -2.960 -4.995 1.00 0.00 C ATOM 923 CG MET A 63 8.818 -3.714 -5.480 1.00 0.00 C ATOM 924 SD MET A 63 8.514 -3.548 -7.261 1.00 0.00 S ATOM 925 CE MET A 63 7.002 -4.538 -7.412 1.00 0.00 C ATOM 0 H MET A 63 11.961 -1.867 -3.945 1.00 0.00 H new ATOM 0 HA MET A 63 9.417 -2.540 -2.969 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.992 -1.919 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.944 -3.381 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.925 -4.771 -5.235 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.947 -3.348 -4.936 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.673 -4.544 -8.451 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.202 -5.560 -7.089 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.221 -4.107 -6.786 1.00 0.00 H new ATOM 935 N GLN A 64 11.457 -5.140 -3.185 1.00 0.00 N ATOM 936 CA GLN A 64 11.579 -6.585 -2.972 1.00 0.00 C ATOM 937 C GLN A 64 11.808 -6.961 -1.508 1.00 0.00 C ATOM 938 O GLN A 64 11.267 -7.978 -1.071 1.00 0.00 O ATOM 939 CB GLN A 64 12.700 -7.143 -3.855 1.00 0.00 C ATOM 940 CG GLN A 64 12.299 -7.100 -5.340 1.00 0.00 C ATOM 941 CD GLN A 64 13.458 -7.269 -6.314 1.00 0.00 C ATOM 942 OE1 GLN A 64 14.543 -7.744 -5.997 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.258 -6.887 -7.553 1.00 0.00 N ATOM 0 H GLN A 64 12.315 -4.704 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 64 10.626 -7.033 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.611 -6.564 -3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.922 -8.169 -3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.566 -7.885 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.807 -6.149 -5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.359 -6.491 -7.826 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.002 -6.986 -8.244 1.00 0.00 H new ATOM 952 N ASP A 65 12.553 -6.155 -0.743 1.00 0.00 N ATOM 953 CA ASP A 65 12.701 -6.336 0.706 1.00 0.00 C ATOM 954 C ASP A 65 11.416 -5.938 1.454 1.00 0.00 C ATOM 955 O ASP A 65 11.077 -6.572 2.456 1.00 0.00 O ATOM 956 CB ASP A 65 13.932 -5.553 1.201 1.00 0.00 C ATOM 957 CG ASP A 65 14.322 -5.869 2.652 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.313 -7.059 3.054 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.710 -4.933 3.394 1.00 0.00 O ATOM 0 H ASP A 65 13.071 -5.358 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 65 12.863 -7.392 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.778 -5.774 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.732 -4.485 1.112 1.00 0.00 H new ATOM 964 N ALA A 66 10.657 -4.959 0.938 1.00 0.00 N ATOM 965 CA ALA A 66 9.335 -4.624 1.470 1.00 0.00 C ATOM 966 C ALA A 66 8.346 -5.779 1.246 1.00 0.00 C ATOM 967 O ALA A 66 7.833 -6.333 2.211 1.00 0.00 O ATOM 968 CB ALA A 66 8.840 -3.301 0.873 1.00 0.00 C ATOM 0 H ALA A 66 10.943 -4.383 0.146 1.00 0.00 H new ATOM 0 HA ALA A 66 9.411 -4.483 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.856 -3.065 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.538 -2.503 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.774 -3.393 -0.211 1.00 0.00 H new ATOM 974 N ILE A 67 8.125 -6.212 0.001 1.00 0.00 N ATOM 975 CA ILE A 67 7.300 -7.390 -0.334 1.00 0.00 C ATOM 976 C ILE A 67 7.741 -8.651 0.440 1.00 0.00 C ATOM 977 O ILE A 67 6.878 -9.368 0.953 1.00 0.00 O ATOM 978 CB ILE A 67 7.280 -7.610 -1.868 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.530 -6.481 -2.621 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.674 -8.968 -2.265 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.022 -6.373 -2.354 1.00 0.00 C ATOM 0 H ILE A 67 8.518 -5.751 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 67 6.278 -7.192 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 67 8.328 -7.595 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.993 -5.529 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.679 -6.625 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.685 -9.068 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.260 -9.772 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.646 -9.027 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.608 -5.549 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.534 -7.303 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.853 -6.190 -1.293 1.00 0.00 H new ATOM 993 N GLU A 68 9.047 -8.899 0.619 1.00 0.00 N ATOM 994 CA GLU A 68 9.550 -9.998 1.469 1.00 0.00 C ATOM 995 C GLU A 68 9.183 -9.864 2.967 1.00 0.00 C ATOM 996 O GLU A 68 9.087 -10.879 3.663 1.00 0.00 O ATOM 997 CB GLU A 68 11.067 -10.161 1.250 1.00 0.00 C ATOM 998 CG GLU A 68 11.661 -11.347 2.020 1.00 0.00 C ATOM 999 CD GLU A 68 13.042 -11.751 1.498 1.00 0.00 C ATOM 1000 OE1 GLU A 68 14.011 -10.960 1.582 1.00 0.00 O ATOM 1001 OE2 GLU A 68 13.178 -12.883 0.973 1.00 0.00 O ATOM 0 H GLU A 68 9.785 -8.348 0.182 1.00 0.00 H new ATOM 0 HA GLU A 68 9.039 -10.908 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.263 -10.292 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.573 -9.246 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.736 -11.089 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.985 -12.199 1.947 1.00 0.00 H new ATOM 1008 N GLY A 69 8.914 -8.654 3.470 1.00 0.00 N ATOM 1009 CA GLY A 69 8.460 -8.392 4.848 1.00 0.00 C ATOM 1010 C GLY A 69 6.957 -8.100 5.019 1.00 0.00 C ATOM 1011 O GLY A 69 6.471 -8.086 6.149 1.00 0.00 O ATOM 0 H GLY A 69 9.008 -7.802 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.715 -9.255 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.022 -7.544 5.240 1.00 0.00 H new ATOM 1015 N MET A 70 6.209 -7.857 3.940 1.00 0.00 N ATOM 1016 CA MET A 70 4.835 -7.324 3.996 1.00 0.00 C ATOM 1017 C MET A 70 3.727 -8.384 3.947 1.00 0.00 C ATOM 1018 O MET A 70 2.688 -8.189 4.578 1.00 0.00 O ATOM 1019 CB MET A 70 4.633 -6.328 2.843 1.00 0.00 C ATOM 1020 CG MET A 70 5.257 -4.953 3.114 1.00 0.00 C ATOM 1021 SD MET A 70 4.320 -3.902 4.258 1.00 0.00 S ATOM 1022 CE MET A 70 5.522 -2.561 4.485 1.00 0.00 C ATOM 0 H MET A 70 6.539 -8.025 2.990 1.00 0.00 H new ATOM 0 HA MET A 70 4.742 -6.844 4.970 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.066 -6.743 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.565 -6.205 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.260 -5.098 3.515 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.366 -4.426 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.111 -1.816 5.166 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.444 -2.966 4.903 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.734 -2.095 3.522 1.00 0.00 H new ATOM 1032 N ASN A 71 3.890 -9.479 3.193 1.00 0.00 N ATOM 1033 CA ASN A 71 2.797 -10.441 2.995 1.00 0.00 C ATOM 1034 C ASN A 71 2.418 -11.123 4.319 1.00 0.00 C ATOM 1035 O ASN A 71 3.189 -11.916 4.867 1.00 0.00 O ATOM 1036 CB ASN A 71 3.144 -11.463 1.894 1.00 0.00 C ATOM 1037 CG ASN A 71 1.923 -12.270 1.463 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.794 -11.798 1.510 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.100 -13.499 1.040 1.00 0.00 N ATOM 0 H ASN A 71 4.758 -9.720 2.715 1.00 0.00 H new ATOM 0 HA ASN A 71 1.920 -9.892 2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.557 -10.941 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.917 -12.140 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.298 -14.059 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.039 -13.894 1.000 1.00 0.00 H new ATOM 1046 N GLY A 72 1.240 -10.799 4.852 1.00 0.00 N ATOM 1047 CA GLY A 72 0.783 -11.341 6.132 1.00 0.00 C ATOM 1048 C GLY A 72 1.374 -10.672 7.378 1.00 0.00 C ATOM 1049 O GLY A 72 1.351 -11.293 8.440 1.00 0.00 O ATOM 0 H GLY A 72 0.579 -10.158 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.303 -11.257 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.022 -12.404 6.163 1.00 0.00 H new ATOM 1053 N LYS A 73 1.917 -9.445 7.284 1.00 0.00 N ATOM 1054 CA LYS A 73 2.291 -8.646 8.473 1.00 0.00 C ATOM 1055 C LYS A 73 1.047 -8.246 9.299 1.00 0.00 C ATOM 1056 O LYS A 73 -0.092 -8.623 8.999 1.00 0.00 O ATOM 1057 CB LYS A 73 3.123 -7.416 8.023 1.00 0.00 C ATOM 1058 CG LYS A 73 4.284 -7.069 8.974 1.00 0.00 C ATOM 1059 CD LYS A 73 4.973 -5.771 8.514 1.00 0.00 C ATOM 1060 CE LYS A 73 6.292 -5.478 9.243 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.124 -5.312 10.706 1.00 0.00 N ATOM 0 H LYS A 73 2.108 -8.981 6.396 1.00 0.00 H new ATOM 0 HA LYS A 73 2.909 -9.253 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.525 -7.606 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.463 -6.553 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.909 -6.951 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.005 -7.886 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.167 -5.833 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.291 -4.935 8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.993 -6.291 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.735 -4.572 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.048 -5.117 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.478 -4.519 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.728 -6.184 11.111 1.00 0.00 H new ATOM 1075 N GLU A 74 1.248 -7.406 10.305 1.00 0.00 N ATOM 1076 CA GLU A 74 0.219 -6.507 10.844 1.00 0.00 C ATOM 1077 C GLU A 74 0.608 -5.048 10.574 1.00 0.00 C ATOM 1078 O GLU A 74 1.791 -4.701 10.657 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.032 -6.809 12.328 1.00 0.00 C ATOM 1080 CG GLU A 74 1.146 -6.457 13.253 1.00 0.00 C ATOM 1081 CD GLU A 74 1.023 -7.135 14.621 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -0.106 -7.315 15.137 1.00 0.00 O ATOM 1083 OE2 GLU A 74 2.067 -7.547 15.183 1.00 0.00 O ATOM 0 H GLU A 74 2.145 -7.324 10.783 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.730 -6.678 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.913 -6.257 12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.261 -7.869 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.081 -6.760 12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.192 -5.376 13.387 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.363 -4.198 10.229 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.138 -2.777 9.945 1.00 0.00 C ATOM 1092 C LEU A 75 -1.311 -1.929 10.449 1.00 0.00 C ATOM 1093 O LEU A 75 -2.465 -2.314 10.272 1.00 0.00 O ATOM 1094 CB LEU A 75 0.076 -2.570 8.432 1.00 0.00 C ATOM 1095 CG LEU A 75 1.153 -1.503 8.165 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.534 -2.161 8.067 1.00 0.00 C ATOM 1097 CD2 LEU A 75 0.885 -0.735 6.871 1.00 0.00 C ATOM 0 H LEU A 75 -1.339 -4.480 10.138 1.00 0.00 H new ATOM 0 HA LEU A 75 0.759 -2.453 10.473 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.372 -3.513 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.862 -2.268 7.967 1.00 0.00 H new ATOM 0 HG LEU A 75 1.124 -0.802 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.288 -1.397 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.761 -2.672 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.536 -2.883 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.668 0.008 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.877 -1.429 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.081 -0.235 6.938 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.026 -0.804 11.107 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.011 0.006 11.847 1.00 0.00 C ATOM 1111 C ASP A 76 -2.914 -0.821 12.801 1.00 0.00 C ATOM 1112 O ASP A 76 -4.041 -0.436 13.128 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.749 0.966 10.887 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.385 2.161 11.621 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -2.704 2.777 12.479 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.554 2.520 11.330 1.00 0.00 O ATOM 0 H ASP A 76 -0.083 -0.417 11.145 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.471 0.642 12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.048 1.335 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.525 0.416 10.354 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.410 -1.969 13.271 1.00 0.00 N ATOM 1122 CA GLY A 77 -3.109 -2.933 14.128 1.00 0.00 C ATOM 1123 C GLY A 77 -4.054 -3.906 13.406 1.00 0.00 C ATOM 1124 O GLY A 77 -4.874 -4.542 14.075 1.00 0.00 O ATOM 0 H GLY A 77 -1.458 -2.264 13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.364 -3.515 14.671 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.685 -2.380 14.870 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.971 -4.014 12.074 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.896 -4.737 11.178 1.00 0.00 C ATOM 1130 C ARG A 78 -4.140 -5.773 10.330 1.00 0.00 C ATOM 1131 O ARG A 78 -2.914 -5.704 10.225 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.610 -3.707 10.275 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.395 -2.604 11.011 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.709 -3.091 11.629 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.768 -3.200 10.610 1.00 0.00 N ATOM 1136 CZ ARG A 78 -10.058 -3.008 10.792 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.597 -2.838 11.959 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.863 -2.986 9.779 1.00 0.00 N ATOM 0 H ARG A 78 -3.211 -3.573 11.556 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.632 -5.279 11.772 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.865 -3.233 9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.298 -4.241 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.767 -2.187 11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.610 -1.796 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.554 -4.061 12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.024 -2.401 12.412 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.471 -3.450 9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.015 -2.849 12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.603 -2.693 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.499 -3.118 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.862 -2.837 9.924 1.00 0.00 H new ATOM 1152 N SER A 79 -4.849 -6.722 9.714 1.00 0.00 N ATOM 1153 CA SER A 79 -4.246 -7.751 8.850 1.00 0.00 C ATOM 1154 C SER A 79 -4.013 -7.231 7.424 1.00 0.00 C ATOM 1155 O SER A 79 -4.959 -6.838 6.730 1.00 0.00 O ATOM 1156 CB SER A 79 -5.090 -9.034 8.845 1.00 0.00 C ATOM 1157 OG SER A 79 -6.422 -8.774 8.448 1.00 0.00 O ATOM 0 H SER A 79 -5.862 -6.802 9.798 1.00 0.00 H new ATOM 0 HA SER A 79 -3.269 -7.995 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.643 -9.763 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.086 -9.478 9.840 1.00 0.00 H new ATOM 0 HG SER A 79 -6.429 -8.070 7.767 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.753 -7.261 6.969 1.00 0.00 N ATOM 1164 CA ILE A 80 -2.330 -6.720 5.666 1.00 0.00 C ATOM 1165 C ILE A 80 -2.061 -7.811 4.617 1.00 0.00 C ATOM 1166 O ILE A 80 -1.596 -8.913 4.928 1.00 0.00 O ATOM 1167 CB ILE A 80 -1.165 -5.709 5.826 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.832 -4.986 4.500 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.092 -6.365 6.409 1.00 0.00 C ATOM 1170 CD1 ILE A 80 -0.043 -3.688 4.702 1.00 0.00 C ATOM 0 H ILE A 80 -1.985 -7.668 7.503 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.173 -6.159 5.263 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.513 -4.959 6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.257 -5.657 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.759 -4.762 3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.881 -5.619 6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.136 -6.778 7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.425 -7.165 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.158 -3.230 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.625 -3.000 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.900 -3.909 5.202 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.330 -7.467 3.355 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.987 -8.226 2.142 1.00 0.00 C ATOM 1184 C VAL A 81 -1.213 -7.319 1.177 1.00 0.00 C ATOM 1185 O VAL A 81 -1.501 -6.121 1.094 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.266 -8.791 1.484 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.007 -9.432 0.114 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.902 -9.851 2.393 1.00 0.00 C ATOM 0 H VAL A 81 -2.822 -6.601 3.136 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.352 -9.072 2.405 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.932 -7.940 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.945 -9.809 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.590 -8.687 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.302 -10.256 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.803 -10.243 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.194 -10.664 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.162 -9.400 3.351 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.247 -7.893 0.445 1.00 0.00 N ATOM 1199 CA VAL A 82 0.506 -7.230 -0.639 1.00 0.00 C ATOM 1200 C VAL A 82 0.672 -8.136 -1.868 1.00 0.00 C ATOM 1201 O VAL A 82 0.877 -9.341 -1.707 1.00 0.00 O ATOM 1202 CB VAL A 82 1.890 -6.733 -0.204 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.752 -5.593 0.810 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.789 -7.838 0.355 1.00 0.00 C ATOM 0 H VAL A 82 0.043 -8.860 0.592 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.101 -6.364 -0.902 1.00 0.00 H new ATOM 0 HB VAL A 82 2.381 -6.367 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.743 -5.251 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.204 -4.767 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.211 -5.949 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.751 -7.414 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.315 -8.286 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.942 -8.602 -0.407 1.00 0.00 H new ATOM 1214 N ASN A 83 0.691 -7.570 -3.078 1.00 0.00 N ATOM 1215 CA ASN A 83 1.389 -8.154 -4.239 1.00 0.00 C ATOM 1216 C ASN A 83 1.763 -7.090 -5.287 1.00 0.00 C ATOM 1217 O ASN A 83 1.218 -5.989 -5.295 1.00 0.00 O ATOM 1218 CB ASN A 83 0.606 -9.325 -4.872 1.00 0.00 C ATOM 1219 CG ASN A 83 -0.689 -9.000 -5.600 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.160 -7.878 -5.699 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.311 -10.011 -6.159 1.00 0.00 N ATOM 0 H ASN A 83 0.222 -6.689 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 83 2.321 -8.569 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.268 -9.829 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.376 -10.040 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.180 -9.856 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.926 -10.952 -6.082 1.00 0.00 H new ATOM 1228 N GLU A 84 2.696 -7.404 -6.188 1.00 0.00 N ATOM 1229 CA GLU A 84 3.065 -6.508 -7.297 1.00 0.00 C ATOM 1230 C GLU A 84 1.886 -6.180 -8.229 1.00 0.00 C ATOM 1231 O GLU A 84 0.941 -6.962 -8.375 1.00 0.00 O ATOM 1232 CB GLU A 84 4.271 -7.048 -8.088 1.00 0.00 C ATOM 1233 CG GLU A 84 4.113 -8.450 -8.707 1.00 0.00 C ATOM 1234 CD GLU A 84 3.466 -8.522 -10.101 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.969 -7.514 -10.646 1.00 0.00 O ATOM 1236 OE2 GLU A 84 3.453 -9.636 -10.680 1.00 0.00 O ATOM 0 H GLU A 84 3.217 -8.281 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 84 3.360 -5.566 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.497 -6.344 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.136 -7.063 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.100 -8.909 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.519 -9.058 -8.025 1.00 0.00 H new ATOM 1243 N ALA A 85 1.958 -5.004 -8.856 1.00 0.00 N ATOM 1244 CA ALA A 85 0.963 -4.456 -9.782 1.00 0.00 C ATOM 1245 C ALA A 85 1.563 -4.162 -11.182 1.00 0.00 C ATOM 1246 O ALA A 85 1.154 -3.225 -11.875 1.00 0.00 O ATOM 1247 CB ALA A 85 0.288 -3.263 -9.093 1.00 0.00 C ATOM 0 H ALA A 85 2.751 -4.376 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 85 0.188 -5.190 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.460 -2.833 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.194 -3.598 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.038 -2.509 -8.854 1.00 0.00 H new ATOM 1253 N GLN A 86 2.580 -4.934 -11.584 1.00 0.00 N ATOM 1254 CA GLN A 86 3.274 -4.842 -12.872 1.00 0.00 C ATOM 1255 C GLN A 86 2.756 -5.861 -13.901 1.00 0.00 C ATOM 1256 O GLN A 86 2.524 -5.470 -15.045 1.00 0.00 O ATOM 1257 CB GLN A 86 4.790 -4.963 -12.632 1.00 0.00 C ATOM 1258 CG GLN A 86 5.628 -4.910 -13.928 1.00 0.00 C ATOM 1259 CD GLN A 86 5.949 -6.259 -14.565 1.00 0.00 C ATOM 1260 OE1 GLN A 86 5.662 -7.331 -14.050 1.00 0.00 O ATOM 1261 NE2 GLN A 86 6.583 -6.263 -15.713 1.00 0.00 N ATOM 0 H GLN A 86 2.958 -5.674 -10.992 1.00 0.00 H new ATOM 0 HA GLN A 86 3.063 -3.869 -13.315 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.110 -4.159 -11.970 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.994 -5.901 -12.116 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.095 -4.302 -14.659 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.566 -4.399 -13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.832 -5.381 -16.161 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.827 -7.148 -16.158 1.00 0.00 H new ATOM 1270 N SER A 87 2.534 -7.127 -13.524 1.00 0.00 N ATOM 1271 CA SER A 87 2.061 -8.185 -14.443 1.00 0.00 C ATOM 1272 C SER A 87 0.651 -7.904 -14.991 1.00 0.00 C ATOM 1273 O SER A 87 0.401 -8.068 -16.191 1.00 0.00 O ATOM 1274 CB SER A 87 2.065 -9.561 -13.754 1.00 0.00 C ATOM 1275 OG SER A 87 3.357 -9.924 -13.287 1.00 0.00 O ATOM 0 H SER A 87 2.677 -7.454 -12.568 1.00 0.00 H new ATOM 0 HA SER A 87 2.759 -8.189 -15.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.368 -9.548 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.708 -10.317 -14.454 1.00 0.00 H new ATOM 0 HG SER A 87 3.395 -9.816 -12.314 1.00 0.00 H new ATOM 1281 N ARG A 88 -0.259 -7.434 -14.126 1.00 0.00 N ATOM 1282 CA ARG A 88 -1.624 -6.983 -14.455 1.00 0.00 C ATOM 1283 C ARG A 88 -1.645 -5.551 -14.999 1.00 0.00 C ATOM 1284 O ARG A 88 -2.361 -5.275 -15.959 1.00 0.00 O ATOM 1285 CB ARG A 88 -2.500 -7.149 -13.197 1.00 0.00 C ATOM 1286 CG ARG A 88 -3.960 -6.725 -13.418 1.00 0.00 C ATOM 1287 CD ARG A 88 -4.816 -7.028 -12.183 1.00 0.00 C ATOM 1288 NE ARG A 88 -6.189 -6.524 -12.369 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.843 -5.629 -11.654 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.373 -5.068 -10.577 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -8.026 -5.272 -12.049 1.00 0.00 N ATOM 0 H ARG A 88 -0.056 -7.353 -13.130 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.029 -7.597 -15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.475 -8.191 -12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.075 -6.558 -12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.002 -5.659 -13.641 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.367 -7.248 -14.283 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.838 -8.103 -12.004 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.369 -6.567 -11.302 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.702 -6.921 -13.156 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.443 -5.314 -10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.935 -4.382 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.427 -5.681 -12.893 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.555 -4.582 -11.516 1.00 0.00 H new ATOM 1305 N GLY A 89 -0.839 -4.663 -14.416 1.00 0.00 N ATOM 1306 CA GLY A 89 -0.729 -3.262 -14.827 1.00 0.00 C ATOM 1307 C GLY A 89 -1.943 -2.390 -14.473 1.00 0.00 C ATOM 1308 O GLY A 89 -2.903 -2.835 -13.835 1.00 0.00 O ATOM 0 H GLY A 89 -0.233 -4.901 -13.631 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.158 -2.831 -14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.575 -3.225 -15.905 1.00 0.00 H new ATOM 1312 N TYR A 90 -1.881 -1.128 -14.896 1.00 0.00 N ATOM 1313 CA TYR A 90 -2.907 -0.102 -14.684 1.00 0.00 C ATOM 1314 C TYR A 90 -3.978 -0.113 -15.794 1.00 0.00 C ATOM 1315 O TYR A 90 -3.682 -0.443 -16.951 1.00 0.00 O ATOM 1316 CB TYR A 90 -2.212 1.266 -14.571 1.00 0.00 C ATOM 1317 CG TYR A 90 -3.143 2.420 -14.253 1.00 0.00 C ATOM 1318 CD1 TYR A 90 -3.499 2.680 -12.917 1.00 0.00 C ATOM 1319 CD2 TYR A 90 -3.685 3.208 -15.287 1.00 0.00 C ATOM 1320 CE1 TYR A 90 -4.400 3.719 -12.615 1.00 0.00 C ATOM 1321 CE2 TYR A 90 -4.601 4.234 -14.991 1.00 0.00 C ATOM 1322 CZ TYR A 90 -4.965 4.488 -13.655 1.00 0.00 C ATOM 1323 OH TYR A 90 -5.856 5.477 -13.382 1.00 0.00 O ATOM 0 H TYR A 90 -1.080 -0.775 -15.419 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.442 -0.315 -13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.448 1.208 -13.796 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.699 1.477 -15.509 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.080 2.081 -12.121 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.396 3.024 -16.311 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.659 3.928 -11.587 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.025 4.827 -15.788 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.140 5.902 -14.218 1.00 0.00 H new ATOM 1333 N GLY A 91 -5.204 0.293 -15.459 1.00 0.00 N ATOM 1334 CA GLY A 91 -6.337 0.376 -16.387 1.00 0.00 C ATOM 1335 C GLY A 91 -7.479 1.270 -15.884 1.00 0.00 C ATOM 1336 O GLY A 91 -7.248 2.319 -15.269 1.00 0.00 O ATOM 0 H GLY A 91 -5.444 0.581 -14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.984 0.757 -17.345 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.724 -0.627 -16.566 1.00 0.00 H new ATOM 1340 N GLY A 92 -8.722 0.865 -16.163 1.00 0.00 N ATOM 1341 CA GLY A 92 -9.947 1.597 -15.813 1.00 0.00 C ATOM 1342 C GLY A 92 -10.538 1.225 -14.464 1.00 0.00 C ATOM 1343 O GLY A 92 -11.667 0.684 -14.464 1.00 0.00 O ATOM 1344 OXT GLY A 92 -9.966 1.615 -13.422 1.00 0.00 O ATOM 0 H GLY A 92 -8.911 -0.009 -16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.731 2.665 -15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.695 1.419 -16.585 1.00 0.00 H new TER 1348 GLY A 92