USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 25 GLN : amide:sc= -0.23 K(o=-0.044,f=-4.8!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -138:sc= 0.187 (180deg=-1.12) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -160:sc= -0.124 (180deg=-0.553) USER MOD Set 2.2: A 13 THR OG1 : rot 57:sc= 0.0749 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0422 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0.088) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 164:sc= -0.43 (180deg=-1.11) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0611 (180deg=-0.437) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -164:sc= -0.057 (180deg=-0.401) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.265 (180deg=0.257) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 67 SER OG : rot -110:sc= 1.35 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= 0.348 F(o=-2.5!,f=0.35) USER MOD Single : A 79 THR OG1 : rot 4:sc= 0.938 USER MOD Single : A 81 SER OG : rot 52:sc= -0.393 USER MOD Single : A 91 SER OG : rot 30:sc= 0.896 USER MOD Single : A 99 LYS NZ :NH3+ -124:sc= -0.251 (180deg=-1.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 9.945 6.351 -13.629 1.00 7.54 N ATOM 2 CA GLY A -2 11.095 6.604 -12.727 1.00 6.84 C ATOM 3 C GLY A -2 11.845 5.334 -12.387 1.00 5.98 C ATOM 4 O GLY A -2 11.232 4.302 -12.110 1.00 5.92 O ATOM 0 H1 GLY A -2 9.461 7.248 -13.835 1.00 7.54 H new ATOM 0 H2 GLY A -2 10.286 5.930 -14.517 1.00 7.54 H new ATOM 0 H3 GLY A -2 9.280 5.697 -13.169 1.00 7.54 H new ATOM 0 HA2 GLY A -2 11.777 7.311 -13.200 1.00 6.84 H new ATOM 0 HA3 GLY A -2 10.739 7.070 -11.809 1.00 6.84 H new ATOM 10 N SER A -1 13.170 5.411 -12.373 1.00 5.63 N ATOM 11 CA SER A -1 14.008 4.267 -12.035 1.00 5.13 C ATOM 12 C SER A -1 14.118 4.088 -10.519 1.00 4.14 C ATOM 13 O SER A -1 15.177 3.737 -9.994 1.00 4.20 O ATOM 14 CB SER A -1 15.393 4.445 -12.661 1.00 5.89 C ATOM 15 OG SER A -1 15.851 5.782 -12.522 1.00 6.58 O ATOM 0 H SER A -1 13.690 6.260 -12.593 1.00 5.63 H new ATOM 0 HA SER A -1 13.546 3.365 -12.437 1.00 5.13 H new ATOM 0 HB2 SER A -1 16.100 3.764 -12.186 1.00 5.89 H new ATOM 0 HB3 SER A -1 15.355 4.179 -13.717 1.00 5.89 H new ATOM 0 HG SER A -1 16.738 5.868 -12.929 1.00 6.58 H new ATOM 19 N VAL A 1 13.008 4.308 -9.829 1.00 3.59 N ATOM 20 CA VAL A 1 12.948 4.158 -8.386 1.00 2.90 C ATOM 21 C VAL A 1 12.963 2.680 -7.998 1.00 2.46 C ATOM 22 O VAL A 1 12.341 1.847 -8.663 1.00 2.65 O ATOM 23 CB VAL A 1 11.691 4.856 -7.809 1.00 2.83 C ATOM 24 CG1 VAL A 1 10.417 4.279 -8.413 1.00 2.99 C ATOM 25 CG2 VAL A 1 11.657 4.761 -6.290 1.00 3.50 C ATOM 0 H VAL A 1 12.127 4.595 -10.255 1.00 3.59 H new ATOM 0 HA VAL A 1 13.829 4.637 -7.960 1.00 2.90 H new ATOM 0 HB VAL A 1 11.747 5.910 -8.080 1.00 2.83 H new ATOM 0 HG11 VAL A 1 9.551 4.788 -7.990 1.00 2.99 H new ATOM 0 HG12 VAL A 1 10.430 4.422 -9.494 1.00 2.99 H new ATOM 0 HG13 VAL A 1 10.358 3.214 -8.188 1.00 2.99 H new ATOM 0 HG21 VAL A 1 10.764 5.260 -5.914 1.00 3.50 H new ATOM 0 HG22 VAL A 1 11.640 3.713 -5.991 1.00 3.50 H new ATOM 0 HG23 VAL A 1 12.543 5.242 -5.875 1.00 3.50 H new ATOM 35 N ASP A 2 13.704 2.363 -6.944 1.00 2.28 N ATOM 36 CA ASP A 2 13.815 0.990 -6.458 1.00 1.96 C ATOM 37 C ASP A 2 12.455 0.468 -6.024 1.00 1.39 C ATOM 38 O ASP A 2 12.143 -0.710 -6.218 1.00 2.12 O ATOM 39 CB ASP A 2 14.796 0.910 -5.282 1.00 2.27 C ATOM 40 CG ASP A 2 16.245 0.819 -5.719 1.00 2.32 C ATOM 41 OD1 ASP A 2 16.680 1.647 -6.550 1.00 2.52 O ATOM 42 OD2 ASP A 2 16.968 -0.066 -5.210 1.00 2.66 O ATOM 0 H ASP A 2 14.241 3.042 -6.405 1.00 2.28 H new ATOM 0 HA ASP A 2 14.190 0.373 -7.274 1.00 1.96 H new ATOM 0 HB2 ASP A 2 14.668 1.789 -4.650 1.00 2.27 H new ATOM 0 HB3 ASP A 2 14.552 0.040 -4.672 1.00 2.27 H new ATOM 45 N PHE A 3 11.687 1.345 -5.370 1.00 0.94 N ATOM 46 CA PHE A 3 10.363 1.022 -4.828 1.00 0.64 C ATOM 47 C PHE A 3 10.488 0.151 -3.580 1.00 0.52 C ATOM 48 O PHE A 3 9.948 0.482 -2.522 1.00 0.46 O ATOM 49 CB PHE A 3 9.484 0.327 -5.878 1.00 1.16 C ATOM 50 CG PHE A 3 8.118 -0.038 -5.373 1.00 0.79 C ATOM 51 CD1 PHE A 3 7.132 0.927 -5.245 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.822 -1.345 -5.029 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.875 0.592 -4.783 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.569 -1.684 -4.564 1.00 0.71 C ATOM 55 CZ PHE A 3 5.594 -0.714 -4.443 1.00 0.99 C ATOM 0 H PHE A 3 11.970 2.310 -5.200 1.00 0.94 H new ATOM 0 HA PHE A 3 9.881 1.960 -4.552 1.00 0.64 H new ATOM 0 HB2 PHE A 3 9.379 0.982 -6.743 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.988 -0.576 -6.221 1.00 1.16 H new ATOM 0 HD1 PHE A 3 7.349 1.951 -5.509 1.00 0.87 H new ATOM 0 HD2 PHE A 3 8.580 -2.108 -5.126 1.00 0.86 H new ATOM 0 HE1 PHE A 3 5.113 1.352 -4.688 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.351 -2.707 -4.295 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.611 -0.978 -4.082 1.00 0.99 H new ATOM 63 N ALA A 4 11.251 -0.928 -3.703 1.00 0.56 N ATOM 64 CA ALA A 4 11.504 -1.828 -2.594 1.00 0.55 C ATOM 65 C ALA A 4 12.160 -1.085 -1.441 1.00 0.57 C ATOM 66 O ALA A 4 11.724 -1.193 -0.296 1.00 0.54 O ATOM 67 CB ALA A 4 12.380 -2.982 -3.054 1.00 0.64 C ATOM 0 H ALA A 4 11.709 -1.200 -4.573 1.00 0.56 H new ATOM 0 HA ALA A 4 10.553 -2.227 -2.242 1.00 0.55 H new ATOM 0 HB1 ALA A 4 12.566 -3.654 -2.216 1.00 0.64 H new ATOM 0 HB2 ALA A 4 11.875 -3.527 -3.851 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.328 -2.593 -3.425 1.00 0.64 H new ATOM 73 N PHE A 5 13.160 -0.275 -1.768 1.00 0.62 N ATOM 74 CA PHE A 5 13.850 0.540 -0.778 1.00 0.66 C ATOM 75 C PHE A 5 12.870 1.454 -0.046 1.00 0.59 C ATOM 76 O PHE A 5 12.910 1.555 1.177 1.00 0.57 O ATOM 77 CB PHE A 5 14.946 1.372 -1.454 1.00 0.79 C ATOM 78 CG PHE A 5 15.674 2.302 -0.521 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.213 1.829 0.665 1.00 1.04 C ATOM 80 CD2 PHE A 5 15.818 3.646 -0.829 1.00 1.20 C ATOM 81 CE1 PHE A 5 16.884 2.677 1.525 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.488 4.498 0.027 1.00 1.56 C ATOM 83 CZ PHE A 5 17.013 4.027 1.198 1.00 1.65 C ATOM 0 H PHE A 5 13.512 -0.166 -2.719 1.00 0.62 H new ATOM 0 HA PHE A 5 14.308 -0.124 -0.045 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.668 0.697 -1.914 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.499 1.957 -2.258 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.107 0.785 0.920 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.402 4.031 -1.748 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.306 2.297 2.444 1.00 1.46 H new ATOM 0 HE2 PHE A 5 16.598 5.541 -0.230 1.00 1.56 H new ATOM 0 HZ PHE A 5 17.527 4.699 1.869 1.00 1.65 H new ATOM 91 N GLU A 6 11.977 2.095 -0.796 1.00 0.57 N ATOM 92 CA GLU A 6 10.992 2.998 -0.206 1.00 0.53 C ATOM 93 C GLU A 6 10.093 2.271 0.785 1.00 0.49 C ATOM 94 O GLU A 6 9.886 2.741 1.901 1.00 0.49 O ATOM 95 CB GLU A 6 10.130 3.659 -1.285 1.00 0.57 C ATOM 96 CG GLU A 6 10.898 4.606 -2.188 1.00 0.70 C ATOM 97 CD GLU A 6 11.811 5.533 -1.413 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.307 6.262 -0.536 1.00 1.97 O ATOM 99 OE2 GLU A 6 13.030 5.546 -1.683 1.00 2.09 O ATOM 0 H GLU A 6 11.915 2.006 -1.810 1.00 0.57 H new ATOM 0 HA GLU A 6 11.549 3.769 0.326 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.670 2.882 -1.896 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.320 4.207 -0.804 1.00 0.57 H new ATOM 0 HG2 GLU A 6 11.490 4.027 -2.897 1.00 0.70 H new ATOM 0 HG3 GLU A 6 10.193 5.199 -2.771 1.00 0.70 H new ATOM 102 N LEU A 7 9.560 1.126 0.376 1.00 0.49 N ATOM 103 CA LEU A 7 8.662 0.364 1.235 1.00 0.51 C ATOM 104 C LEU A 7 9.379 -0.125 2.488 1.00 0.53 C ATOM 105 O LEU A 7 8.853 -0.005 3.593 1.00 0.56 O ATOM 106 CB LEU A 7 8.057 -0.821 0.479 1.00 0.56 C ATOM 107 CG LEU A 7 7.169 -0.457 -0.710 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.453 -1.694 -1.220 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.164 0.621 -0.323 1.00 1.45 C ATOM 0 H LEU A 7 9.732 0.707 -0.538 1.00 0.49 H new ATOM 0 HA LEU A 7 7.856 1.032 1.540 1.00 0.51 H new ATOM 0 HB2 LEU A 7 8.869 -1.456 0.123 1.00 0.56 H new ATOM 0 HB3 LEU A 7 7.471 -1.416 1.180 1.00 0.56 H new ATOM 0 HG LEU A 7 7.799 -0.061 -1.507 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.822 -1.426 -2.067 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.187 -2.436 -1.535 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.835 -2.110 -0.425 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.542 0.865 -1.184 1.00 1.45 H new ATOM 0 HD22 LEU A 7 5.534 0.256 0.488 1.00 1.45 H new ATOM 0 HD23 LEU A 7 6.696 1.514 0.005 1.00 1.45 H new ATOM 119 N ARG A 8 10.598 -0.626 2.317 1.00 0.56 N ATOM 120 CA ARG A 8 11.394 -1.094 3.447 1.00 0.62 C ATOM 121 C ARG A 8 11.709 0.059 4.394 1.00 0.60 C ATOM 122 O ARG A 8 11.657 -0.094 5.615 1.00 0.63 O ATOM 123 CB ARG A 8 12.699 -1.734 2.970 1.00 0.70 C ATOM 124 CG ARG A 8 12.507 -2.939 2.063 1.00 1.30 C ATOM 125 CD ARG A 8 13.831 -3.633 1.797 1.00 1.61 C ATOM 126 NE ARG A 8 14.355 -4.274 3.001 1.00 1.92 N ATOM 127 CZ ARG A 8 13.888 -5.420 3.497 1.00 2.84 C ATOM 128 NH1 ARG A 8 12.995 -6.128 2.816 1.00 3.51 N ATOM 129 NH2 ARG A 8 14.341 -5.867 4.659 1.00 3.56 N ATOM 0 H ARG A 8 11.055 -0.718 1.410 1.00 0.56 H new ATOM 0 HA ARG A 8 10.808 -1.845 3.977 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.286 -0.984 2.440 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.281 -2.037 3.840 1.00 0.70 H new ATOM 0 HG2 ARG A 8 11.811 -3.639 2.525 1.00 1.30 H new ATOM 0 HG3 ARG A 8 12.062 -2.622 1.120 1.00 1.30 H new ATOM 0 HD2 ARG A 8 13.700 -4.380 1.014 1.00 1.61 H new ATOM 0 HD3 ARG A 8 14.555 -2.907 1.426 1.00 1.61 H new ATOM 0 HE ARG A 8 15.124 -3.817 3.491 1.00 1.92 H new ATOM 0 HH11 ARG A 8 12.664 -5.796 1.910 1.00 3.51 H new ATOM 0 HH12 ARG A 8 12.640 -7.004 3.199 1.00 3.51 H new ATOM 0 HH21 ARG A 8 15.045 -5.335 5.171 1.00 3.56 H new ATOM 0 HH22 ARG A 8 13.986 -6.743 5.042 1.00 3.56 H new ATOM 137 N LYS A 9 12.072 1.198 3.815 1.00 0.56 N ATOM 138 CA LYS A 9 12.435 2.382 4.585 1.00 0.56 C ATOM 139 C LYS A 9 11.223 2.911 5.348 1.00 0.50 C ATOM 140 O LYS A 9 11.311 3.261 6.525 1.00 0.50 O ATOM 141 CB LYS A 9 12.982 3.464 3.642 1.00 0.60 C ATOM 142 CG LYS A 9 14.095 4.313 4.240 1.00 1.06 C ATOM 143 CD LYS A 9 13.606 5.163 5.398 1.00 1.67 C ATOM 144 CE LYS A 9 14.760 5.851 6.108 1.00 2.14 C ATOM 145 NZ LYS A 9 15.745 4.871 6.643 1.00 2.75 N ATOM 0 H LYS A 9 12.123 1.327 2.804 1.00 0.56 H new ATOM 0 HA LYS A 9 13.207 2.113 5.307 1.00 0.56 H new ATOM 0 HB2 LYS A 9 13.353 2.985 2.736 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.162 4.118 3.344 1.00 0.60 H new ATOM 0 HG2 LYS A 9 14.901 3.664 4.582 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.512 4.959 3.468 1.00 1.06 H new ATOM 0 HD2 LYS A 9 12.905 5.912 5.030 1.00 1.67 H new ATOM 0 HD3 LYS A 9 13.062 4.538 6.106 1.00 1.67 H new ATOM 0 HE2 LYS A 9 15.261 6.528 5.416 1.00 2.14 H new ATOM 0 HE3 LYS A 9 14.373 6.460 6.925 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 16.314 5.322 7.388 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 15.240 4.053 7.041 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 16.370 4.552 5.875 1.00 2.75 H new ATOM 151 N ALA A 10 10.091 2.982 4.664 1.00 0.47 N ATOM 152 CA ALA A 10 8.866 3.481 5.263 1.00 0.44 C ATOM 153 C ALA A 10 8.362 2.542 6.356 1.00 0.45 C ATOM 154 O ALA A 10 7.690 2.974 7.288 1.00 0.47 O ATOM 155 CB ALA A 10 7.799 3.680 4.200 1.00 0.44 C ATOM 0 H ALA A 10 9.997 2.698 3.689 1.00 0.47 H new ATOM 0 HA ALA A 10 9.086 4.444 5.724 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.887 4.054 4.665 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.151 4.400 3.461 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.592 2.729 3.710 1.00 0.44 H new ATOM 161 N GLN A 11 8.602 1.248 6.182 1.00 0.47 N ATOM 162 CA GLN A 11 8.081 0.250 7.108 1.00 0.53 C ATOM 163 C GLN A 11 8.771 0.316 8.474 1.00 0.58 C ATOM 164 O GLN A 11 8.104 0.234 9.510 1.00 0.63 O ATOM 165 CB GLN A 11 8.217 -1.153 6.515 1.00 0.59 C ATOM 166 CG GLN A 11 7.512 -2.221 7.335 1.00 1.07 C ATOM 167 CD GLN A 11 7.574 -3.592 6.693 1.00 1.69 C ATOM 168 OE1 GLN A 11 8.652 -4.140 6.471 1.00 2.18 O ATOM 169 NE2 GLN A 11 6.415 -4.158 6.391 1.00 2.44 N ATOM 0 H GLN A 11 9.151 0.866 5.412 1.00 0.47 H new ATOM 0 HA GLN A 11 7.025 0.473 7.263 1.00 0.53 H new ATOM 0 HB2 GLN A 11 7.811 -1.154 5.504 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.274 -1.405 6.434 1.00 0.59 H new ATOM 0 HG2 GLN A 11 7.963 -2.268 8.326 1.00 1.07 H new ATOM 0 HG3 GLN A 11 6.469 -1.937 7.473 1.00 1.07 H new ATOM 0 HE21 GLN A 11 5.542 -3.670 6.591 1.00 2.44 H new ATOM 0 HE22 GLN A 11 6.396 -5.081 5.958 1.00 2.44 H new ATOM 174 N ASP A 12 10.099 0.397 8.490 1.00 0.61 N ATOM 175 CA ASP A 12 10.829 0.393 9.758 1.00 0.73 C ATOM 176 C ASP A 12 10.928 1.794 10.362 1.00 0.68 C ATOM 177 O ASP A 12 10.725 1.971 11.563 1.00 0.73 O ATOM 178 CB ASP A 12 12.220 -0.267 9.632 1.00 0.92 C ATOM 179 CG ASP A 12 13.197 0.410 8.675 1.00 0.95 C ATOM 180 OD1 ASP A 12 12.843 1.413 8.027 1.00 1.43 O ATOM 181 OD2 ASP A 12 14.337 -0.091 8.554 1.00 1.32 O ATOM 0 H ASP A 12 10.684 0.465 7.657 1.00 0.61 H new ATOM 0 HA ASP A 12 10.248 -0.220 10.447 1.00 0.73 H new ATOM 0 HB2 ASP A 12 12.676 -0.300 10.622 1.00 0.92 H new ATOM 0 HB3 ASP A 12 12.083 -1.299 9.310 1.00 0.92 H new ATOM 184 N THR A 13 11.226 2.778 9.533 1.00 0.64 N ATOM 185 CA THR A 13 11.368 4.150 9.994 1.00 0.68 C ATOM 186 C THR A 13 10.007 4.769 10.321 1.00 0.58 C ATOM 187 O THR A 13 9.830 5.389 11.373 1.00 0.95 O ATOM 188 CB THR A 13 12.090 5.001 8.933 1.00 0.96 C ATOM 189 OG1 THR A 13 13.314 4.354 8.557 1.00 1.96 O ATOM 190 CG2 THR A 13 12.391 6.397 9.453 1.00 1.02 C ATOM 0 H THR A 13 11.375 2.653 8.532 1.00 0.64 H new ATOM 0 HA THR A 13 11.964 4.134 10.906 1.00 0.68 H new ATOM 0 HB THR A 13 11.435 5.097 8.067 1.00 0.96 H new ATOM 0 HG1 THR A 13 13.120 3.448 8.238 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.901 6.971 8.679 1.00 1.02 H new ATOM 0 HG22 THR A 13 11.459 6.895 9.720 1.00 1.02 H new ATOM 0 HG23 THR A 13 13.030 6.327 10.333 1.00 1.02 H new ATOM 198 N GLY A 14 9.047 4.572 9.432 1.00 0.59 N ATOM 199 CA GLY A 14 7.715 5.096 9.648 1.00 0.55 C ATOM 200 C GLY A 14 6.762 4.044 10.173 1.00 0.50 C ATOM 201 O GLY A 14 6.987 3.460 11.239 1.00 0.64 O ATOM 0 H GLY A 14 9.167 4.056 8.560 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.763 5.925 10.355 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.329 5.498 8.711 1.00 0.55 H new ATOM 205 N LYS A 15 5.715 3.777 9.403 1.00 0.47 N ATOM 206 CA LYS A 15 4.727 2.774 9.761 1.00 0.55 C ATOM 207 C LYS A 15 3.900 2.395 8.538 1.00 0.41 C ATOM 208 O LYS A 15 3.375 3.269 7.844 1.00 0.42 O ATOM 209 CB LYS A 15 3.805 3.303 10.865 1.00 0.85 C ATOM 210 CG LYS A 15 2.784 2.284 11.355 1.00 1.63 C ATOM 211 CD LYS A 15 1.804 2.897 12.346 1.00 2.21 C ATOM 212 CE LYS A 15 2.507 3.377 13.605 1.00 2.74 C ATOM 213 NZ LYS A 15 1.565 4.033 14.548 1.00 3.52 N ATOM 0 H LYS A 15 5.529 4.248 8.518 1.00 0.47 H new ATOM 0 HA LYS A 15 5.248 1.890 10.130 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.414 3.628 11.709 1.00 0.85 H new ATOM 0 HB3 LYS A 15 3.278 4.182 10.495 1.00 0.85 H new ATOM 0 HG2 LYS A 15 2.236 1.881 10.504 1.00 1.63 H new ATOM 0 HG3 LYS A 15 3.302 1.448 11.826 1.00 1.63 H new ATOM 0 HD2 LYS A 15 1.286 3.733 11.876 1.00 2.21 H new ATOM 0 HD3 LYS A 15 1.045 2.161 12.611 1.00 2.21 H new ATOM 0 HE2 LYS A 15 2.985 2.531 14.099 1.00 2.74 H new ATOM 0 HE3 LYS A 15 3.298 4.077 13.335 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 2.083 4.346 15.394 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 1.127 4.855 14.086 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 0.825 3.357 14.826 1.00 3.52 H new ATOM 219 N ILE A 16 3.774 1.098 8.289 1.00 0.40 N ATOM 220 CA ILE A 16 2.979 0.603 7.171 1.00 0.37 C ATOM 221 C ILE A 16 2.114 -0.573 7.612 1.00 0.38 C ATOM 222 O ILE A 16 2.628 -1.588 8.085 1.00 0.48 O ATOM 223 CB ILE A 16 3.864 0.152 5.984 1.00 0.51 C ATOM 224 CG1 ILE A 16 4.661 1.333 5.423 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.009 -0.476 4.891 1.00 0.63 C ATOM 226 CD1 ILE A 16 5.522 0.970 4.232 1.00 0.99 C ATOM 0 H ILE A 16 4.214 0.367 8.848 1.00 0.40 H new ATOM 0 HA ILE A 16 2.350 1.430 6.841 1.00 0.37 H new ATOM 0 HB ILE A 16 4.568 -0.596 6.349 1.00 0.51 H new ATOM 0 HG12 ILE A 16 3.969 2.123 5.133 1.00 0.59 H new ATOM 0 HG13 ILE A 16 5.296 1.739 6.210 1.00 0.59 H new ATOM 0 HG21 ILE A 16 3.647 -0.788 4.064 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.485 -1.344 5.292 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.282 0.253 4.534 1.00 0.63 H new ATOM 0 HD11 ILE A 16 6.058 1.854 3.887 1.00 0.99 H new ATOM 0 HD12 ILE A 16 6.239 0.202 4.522 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.890 0.592 3.428 1.00 0.99 H new ATOM 236 N VAL A 17 0.813 -0.450 7.410 1.00 0.36 N ATOM 237 CA VAL A 17 -0.113 -1.527 7.726 1.00 0.37 C ATOM 238 C VAL A 17 -0.137 -2.542 6.585 1.00 0.37 C ATOM 239 O VAL A 17 -0.370 -2.181 5.434 1.00 0.59 O ATOM 240 CB VAL A 17 -1.536 -0.986 7.975 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.491 -2.111 8.336 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.518 0.071 9.067 1.00 1.04 C ATOM 0 H VAL A 17 0.372 0.387 7.028 1.00 0.36 H new ATOM 0 HA VAL A 17 0.230 -2.012 8.640 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.891 -0.527 7.052 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.487 -1.702 8.506 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.529 -2.832 7.519 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -2.143 -2.607 9.242 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -2.530 0.442 9.230 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -1.138 -0.366 9.990 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.873 0.896 8.764 1.00 1.04 H new ATOM 252 N MET A 18 0.183 -3.786 6.888 1.00 0.32 N ATOM 253 CA MET A 18 0.282 -4.815 5.866 1.00 0.42 C ATOM 254 C MET A 18 -0.855 -5.825 5.991 1.00 0.63 C ATOM 255 O MET A 18 -1.064 -6.412 7.054 1.00 0.87 O ATOM 256 CB MET A 18 1.642 -5.511 5.984 1.00 0.74 C ATOM 257 CG MET A 18 1.718 -6.846 5.272 1.00 1.20 C ATOM 258 SD MET A 18 3.349 -7.610 5.401 1.00 1.77 S ATOM 259 CE MET A 18 3.571 -7.650 7.180 1.00 2.03 C ATOM 0 H MET A 18 0.379 -4.110 7.835 1.00 0.32 H new ATOM 0 HA MET A 18 0.197 -4.350 4.884 1.00 0.42 H new ATOM 0 HB2 MET A 18 2.411 -4.852 5.581 1.00 0.74 H new ATOM 0 HB3 MET A 18 1.871 -5.661 7.039 1.00 0.74 H new ATOM 0 HG2 MET A 18 0.971 -7.520 5.691 1.00 1.20 H new ATOM 0 HG3 MET A 18 1.468 -6.707 4.220 1.00 1.20 H new ATOM 0 HE1 MET A 18 4.380 -8.336 7.430 1.00 2.03 H new ATOM 0 HE2 MET A 18 3.818 -6.651 7.538 1.00 2.03 H new ATOM 0 HE3 MET A 18 2.650 -7.988 7.654 1.00 2.03 H new ATOM 265 N GLY A 19 -1.582 -6.030 4.899 1.00 0.70 N ATOM 266 CA GLY A 19 -2.680 -6.976 4.901 1.00 1.09 C ATOM 267 C GLY A 19 -3.686 -6.684 3.809 1.00 0.88 C ATOM 268 O GLY A 19 -3.324 -6.547 2.638 1.00 1.71 O ATOM 0 H GLY A 19 -1.429 -5.555 4.009 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.289 -7.985 4.772 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.179 -6.949 5.870 1.00 1.09 H new ATOM 272 N ALA A 20 -4.946 -6.562 4.196 1.00 0.76 N ATOM 273 CA ALA A 20 -6.016 -6.230 3.263 1.00 0.53 C ATOM 274 C ALA A 20 -7.221 -5.701 4.028 1.00 0.48 C ATOM 275 O ALA A 20 -7.587 -4.534 3.894 1.00 0.49 O ATOM 276 CB ALA A 20 -6.406 -7.448 2.438 1.00 0.67 C ATOM 0 H ALA A 20 -5.257 -6.689 5.159 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.660 -5.458 2.581 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -7.206 -7.179 1.748 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.542 -7.797 1.873 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.750 -8.242 3.101 1.00 0.67 H new ATOM 282 N ARG A 21 -7.726 -6.519 4.945 1.00 0.50 N ATOM 283 CA ARG A 21 -8.798 -6.112 5.847 1.00 0.54 C ATOM 284 C ARG A 21 -8.318 -4.970 6.734 1.00 0.49 C ATOM 285 O ARG A 21 -9.049 -4.011 6.993 1.00 0.54 O ATOM 286 CB ARG A 21 -9.232 -7.298 6.715 1.00 0.66 C ATOM 287 CG ARG A 21 -10.482 -7.050 7.543 1.00 1.48 C ATOM 288 CD ARG A 21 -11.747 -7.267 6.728 1.00 1.94 C ATOM 289 NE ARG A 21 -12.946 -7.214 7.563 1.00 2.79 N ATOM 290 CZ ARG A 21 -13.729 -6.141 7.694 1.00 3.74 C ATOM 291 NH1 ARG A 21 -13.553 -5.079 6.914 1.00 4.12 N ATOM 292 NH2 ARG A 21 -14.715 -6.145 8.580 1.00 4.68 N ATOM 0 H ARG A 21 -7.406 -7.478 5.084 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.650 -5.775 5.257 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -9.404 -8.160 6.070 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -8.414 -7.560 7.386 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.486 -7.717 8.405 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -10.467 -6.030 7.928 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -11.812 -6.507 5.949 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -11.695 -8.234 6.227 1.00 1.94 H new ATOM 0 HE ARG A 21 -13.202 -8.055 8.081 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -12.816 -5.080 6.209 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -14.155 -4.263 7.020 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -14.875 -6.968 9.161 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -15.314 -5.325 8.681 1.00 4.68 H new ATOM 300 N LYS A 22 -7.064 -5.071 7.161 1.00 0.46 N ATOM 301 CA LYS A 22 -6.433 -4.048 7.987 1.00 0.49 C ATOM 302 C LYS A 22 -6.385 -2.712 7.249 1.00 0.47 C ATOM 303 O LYS A 22 -6.670 -1.661 7.821 1.00 0.49 O ATOM 304 CB LYS A 22 -5.016 -4.489 8.363 1.00 0.50 C ATOM 305 CG LYS A 22 -4.972 -5.793 9.146 1.00 0.80 C ATOM 306 CD LYS A 22 -3.548 -6.295 9.337 1.00 1.14 C ATOM 307 CE LYS A 22 -2.736 -5.356 10.212 1.00 1.61 C ATOM 308 NZ LYS A 22 -3.360 -5.165 11.545 1.00 1.91 N ATOM 0 H LYS A 22 -6.458 -5.862 6.945 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.024 -3.919 8.894 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.426 -4.601 7.453 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.545 -3.704 8.954 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.439 -5.647 10.120 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.556 -6.550 8.623 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.569 -7.287 9.789 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.064 -6.397 8.366 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -1.729 -5.755 10.336 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -2.638 -4.391 9.715 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -2.659 -4.767 12.203 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -4.165 -4.512 11.461 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -3.693 -6.081 11.907 1.00 1.91 H new ATOM 314 N SER A 23 -6.071 -2.771 5.962 1.00 0.46 N ATOM 315 CA SER A 23 -6.025 -1.581 5.125 1.00 0.48 C ATOM 316 C SER A 23 -7.419 -0.967 4.997 1.00 0.48 C ATOM 317 O SER A 23 -7.580 0.251 5.073 1.00 0.50 O ATOM 318 CB SER A 23 -5.470 -1.944 3.749 1.00 0.52 C ATOM 319 OG SER A 23 -4.303 -2.739 3.879 1.00 1.14 O ATOM 0 H SER A 23 -5.843 -3.637 5.473 1.00 0.46 H new ATOM 0 HA SER A 23 -5.370 -0.843 5.588 1.00 0.48 H new ATOM 0 HB2 SER A 23 -6.224 -2.485 3.177 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.239 -1.036 3.192 1.00 0.52 H new ATOM 0 HG SER A 23 -3.960 -2.965 2.989 1.00 1.14 H new ATOM 323 N ILE A 24 -8.425 -1.829 4.882 1.00 0.49 N ATOM 324 CA ILE A 24 -9.816 -1.392 4.819 1.00 0.52 C ATOM 325 C ILE A 24 -10.201 -0.634 6.084 1.00 0.49 C ATOM 326 O ILE A 24 -10.905 0.376 6.028 1.00 0.52 O ATOM 327 CB ILE A 24 -10.777 -2.587 4.641 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.444 -3.360 3.365 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.222 -2.108 4.609 1.00 0.60 C ATOM 330 CD1 ILE A 24 -11.229 -4.645 3.207 1.00 0.66 C ATOM 0 H ILE A 24 -8.301 -2.840 4.830 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.905 -0.734 3.954 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.652 -3.257 5.492 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.635 -2.720 2.503 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.379 -3.593 3.360 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.886 -2.963 4.483 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.458 -1.600 5.544 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.358 -1.417 3.777 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.938 -5.137 2.279 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -11.020 -5.305 4.049 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -12.295 -4.419 3.179 1.00 0.66 H new ATOM 340 N GLN A 25 -9.718 -1.118 7.222 1.00 0.47 N ATOM 341 CA GLN A 25 -9.995 -0.489 8.507 1.00 0.49 C ATOM 342 C GLN A 25 -9.541 0.967 8.493 1.00 0.44 C ATOM 343 O GLN A 25 -10.316 1.873 8.804 1.00 0.47 O ATOM 344 CB GLN A 25 -9.292 -1.255 9.633 1.00 0.54 C ATOM 345 CG GLN A 25 -9.602 -0.735 11.028 1.00 0.81 C ATOM 346 CD GLN A 25 -11.061 -0.898 11.410 1.00 1.35 C ATOM 347 OE1 GLN A 25 -11.950 -0.325 10.782 1.00 2.19 O ATOM 348 NE2 GLN A 25 -11.321 -1.686 12.439 1.00 1.75 N ATOM 0 H GLN A 25 -9.129 -1.949 7.280 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.070 -0.515 8.685 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -9.578 -2.305 9.577 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.215 -1.209 9.471 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -8.981 -1.262 11.753 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -9.333 0.320 11.085 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -10.557 -2.145 12.936 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -12.285 -1.835 12.736 1.00 1.75 H new ATOM 353 N TYR A 26 -8.312 1.187 8.041 1.00 0.41 N ATOM 354 CA TYR A 26 -7.764 2.533 7.934 1.00 0.42 C ATOM 355 C TYR A 26 -8.478 3.346 6.862 1.00 0.42 C ATOM 356 O TYR A 26 -8.623 4.557 6.995 1.00 0.46 O ATOM 357 CB TYR A 26 -6.261 2.494 7.654 1.00 0.43 C ATOM 358 CG TYR A 26 -5.433 2.202 8.883 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.601 1.023 9.595 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.498 3.120 9.347 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.865 0.764 10.731 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.752 2.866 10.481 1.00 0.62 C ATOM 363 CZ TYR A 26 -3.939 1.687 11.170 1.00 0.57 C ATOM 364 OH TYR A 26 -3.204 1.434 12.306 1.00 0.66 O ATOM 0 H TYR A 26 -7.675 0.448 7.742 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.927 3.023 8.894 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.058 1.735 6.899 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.951 3.451 7.234 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.322 0.295 9.253 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.353 4.047 8.812 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.013 -0.157 11.275 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -3.026 3.587 10.826 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.597 2.184 12.476 1.00 0.66 H new ATOM 372 N ALA A 27 -8.930 2.679 5.810 1.00 0.40 N ATOM 373 CA ALA A 27 -9.650 3.348 4.733 1.00 0.44 C ATOM 374 C ALA A 27 -10.965 3.935 5.238 1.00 0.48 C ATOM 375 O ALA A 27 -11.361 5.030 4.837 1.00 0.55 O ATOM 376 CB ALA A 27 -9.904 2.385 3.581 1.00 0.47 C ATOM 0 H ALA A 27 -8.811 1.675 5.678 1.00 0.40 H new ATOM 0 HA ALA A 27 -9.030 4.168 4.370 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.442 2.902 2.787 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.952 2.019 3.196 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.500 1.543 3.935 1.00 0.47 H new ATOM 382 N LYS A 28 -11.648 3.193 6.107 1.00 0.48 N ATOM 383 CA LYS A 28 -12.922 3.643 6.660 1.00 0.56 C ATOM 384 C LYS A 28 -12.717 4.778 7.659 1.00 0.62 C ATOM 385 O LYS A 28 -13.433 5.779 7.632 1.00 0.73 O ATOM 386 CB LYS A 28 -13.653 2.489 7.353 1.00 0.58 C ATOM 387 CG LYS A 28 -13.949 1.314 6.439 1.00 1.02 C ATOM 388 CD LYS A 28 -14.843 0.271 7.102 1.00 1.11 C ATOM 389 CE LYS A 28 -14.205 -0.334 8.346 1.00 1.31 C ATOM 390 NZ LYS A 28 -14.518 0.441 9.578 1.00 2.06 N ATOM 0 H LYS A 28 -11.341 2.280 6.442 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.527 4.006 5.829 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -13.051 2.142 8.192 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.591 2.861 7.766 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.430 1.676 5.531 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -13.012 0.846 6.138 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -15.794 0.730 7.371 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.063 -0.522 6.387 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -14.553 -1.360 8.467 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -13.124 -0.378 8.212 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -13.663 0.520 10.165 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -14.847 1.392 9.316 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -15.263 -0.047 10.115 1.00 2.06 H new ATOM 396 N MET A 29 -11.795 4.572 8.593 1.00 0.60 N ATOM 397 CA MET A 29 -11.565 5.529 9.674 1.00 0.73 C ATOM 398 C MET A 29 -10.800 6.758 9.194 1.00 0.75 C ATOM 399 O MET A 29 -10.866 7.821 9.815 1.00 1.07 O ATOM 400 CB MET A 29 -10.807 4.860 10.828 1.00 1.26 C ATOM 401 CG MET A 29 -9.432 4.333 10.442 1.00 1.48 C ATOM 402 SD MET A 29 -8.626 3.426 11.777 1.00 2.39 S ATOM 403 CE MET A 29 -8.405 4.734 12.978 1.00 3.09 C ATOM 0 H MET A 29 -11.193 3.750 8.625 1.00 0.60 H new ATOM 0 HA MET A 29 -12.542 5.861 10.026 1.00 0.73 H new ATOM 0 HB2 MET A 29 -10.695 5.578 11.640 1.00 1.26 H new ATOM 0 HB3 MET A 29 -11.406 4.035 11.213 1.00 1.26 H new ATOM 0 HG2 MET A 29 -9.529 3.681 9.574 1.00 1.48 H new ATOM 0 HG3 MET A 29 -8.799 5.169 10.144 1.00 1.48 H new ATOM 0 HE1 MET A 29 -7.681 4.419 13.729 1.00 3.09 H new ATOM 0 HE2 MET A 29 -8.041 5.631 12.476 1.00 3.09 H new ATOM 0 HE3 MET A 29 -9.358 4.950 13.461 1.00 3.09 H new ATOM 409 N GLY A 30 -9.976 6.576 8.173 1.00 0.77 N ATOM 410 CA GLY A 30 -9.096 7.637 7.728 1.00 1.31 C ATOM 411 C GLY A 30 -7.838 7.703 8.572 1.00 0.87 C ATOM 412 O GLY A 30 -7.910 7.790 9.801 1.00 1.43 O ATOM 0 H GLY A 30 -9.901 5.708 7.642 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.827 7.475 6.684 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.620 8.591 7.778 1.00 1.31 H new ATOM 416 N GLY A 31 -6.688 7.625 7.927 1.00 0.71 N ATOM 417 CA GLY A 31 -5.432 7.641 8.652 1.00 1.01 C ATOM 418 C GLY A 31 -4.265 7.267 7.768 1.00 1.00 C ATOM 419 O GLY A 31 -3.221 7.919 7.792 1.00 1.67 O ATOM 0 H GLY A 31 -6.598 7.551 6.914 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.267 8.634 9.070 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -5.489 6.947 9.491 1.00 1.01 H new ATOM 423 N ALA A 32 -4.461 6.242 6.949 1.00 0.55 N ATOM 424 CA ALA A 32 -3.443 5.823 5.997 1.00 0.47 C ATOM 425 C ALA A 32 -3.223 6.911 4.956 1.00 0.42 C ATOM 426 O ALA A 32 -4.179 7.457 4.412 1.00 0.45 O ATOM 427 CB ALA A 32 -3.847 4.519 5.329 1.00 0.45 C ATOM 0 H ALA A 32 -5.316 5.686 6.925 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.508 5.658 6.532 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -3.075 4.219 4.620 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.965 3.744 6.086 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.791 4.658 4.801 1.00 0.45 H new ATOM 433 N LYS A 33 -1.972 7.280 4.742 1.00 0.43 N ATOM 434 CA LYS A 33 -1.656 8.358 3.822 1.00 0.45 C ATOM 435 C LYS A 33 -1.530 7.844 2.396 1.00 0.40 C ATOM 436 O LYS A 33 -1.928 8.526 1.453 1.00 0.43 O ATOM 437 CB LYS A 33 -0.378 9.080 4.248 1.00 0.54 C ATOM 438 CG LYS A 33 -0.466 9.707 5.633 1.00 1.19 C ATOM 439 CD LYS A 33 -1.705 10.582 5.788 1.00 1.27 C ATOM 440 CE LYS A 33 -1.695 11.757 4.824 1.00 1.41 C ATOM 441 NZ LYS A 33 -2.909 12.602 4.967 1.00 1.85 N ATOM 0 H LYS A 33 -1.162 6.851 5.190 1.00 0.43 H new ATOM 0 HA LYS A 33 -2.479 9.072 3.852 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.452 8.374 4.230 1.00 0.54 H new ATOM 0 HB3 LYS A 33 -0.150 9.858 3.520 1.00 0.54 H new ATOM 0 HG2 LYS A 33 -0.482 8.920 6.387 1.00 1.19 H new ATOM 0 HG3 LYS A 33 0.426 10.306 5.817 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -2.598 9.980 5.617 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.761 10.953 6.811 1.00 1.27 H new ATOM 0 HE2 LYS A 33 -0.807 12.364 5.001 1.00 1.41 H new ATOM 0 HE3 LYS A 33 -1.629 11.387 3.801 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 -2.863 13.392 4.292 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -3.755 12.029 4.773 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -2.959 12.977 5.936 1.00 1.85 H new ATOM 447 N LEU A 34 -0.987 6.644 2.239 1.00 0.36 N ATOM 448 CA LEU A 34 -0.861 6.049 0.914 1.00 0.34 C ATOM 449 C LEU A 34 -1.146 4.554 0.979 1.00 0.32 C ATOM 450 O LEU A 34 -0.360 3.795 1.537 1.00 0.49 O ATOM 451 CB LEU A 34 0.548 6.291 0.356 1.00 0.40 C ATOM 452 CG LEU A 34 0.645 6.497 -1.163 1.00 0.51 C ATOM 453 CD1 LEU A 34 2.093 6.674 -1.578 1.00 1.06 C ATOM 454 CD2 LEU A 34 0.023 5.339 -1.926 1.00 0.99 C ATOM 0 H LEU A 34 -0.630 6.069 3.002 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.588 6.518 0.251 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.967 7.168 0.849 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.176 5.442 0.628 1.00 0.40 H new ATOM 0 HG LEU A 34 0.086 7.400 -1.410 1.00 0.51 H new ATOM 0 HD11 LEU A 34 2.147 6.819 -2.657 1.00 1.06 H new ATOM 0 HD12 LEU A 34 2.512 7.544 -1.073 1.00 1.06 H new ATOM 0 HD13 LEU A 34 2.662 5.786 -1.302 1.00 1.06 H new ATOM 0 HD21 LEU A 34 0.111 5.520 -2.997 1.00 0.99 H new ATOM 0 HD22 LEU A 34 0.541 4.415 -1.671 1.00 0.99 H new ATOM 0 HD23 LEU A 34 -1.030 5.250 -1.658 1.00 0.99 H new ATOM 464 N ILE A 35 -2.219 4.121 0.338 1.00 0.26 N ATOM 465 CA ILE A 35 -2.527 2.701 0.265 1.00 0.23 C ATOM 466 C ILE A 35 -2.085 2.139 -1.081 1.00 0.24 C ATOM 467 O ILE A 35 -2.404 2.694 -2.125 1.00 0.31 O ATOM 468 CB ILE A 35 -4.031 2.422 0.469 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.495 2.990 1.813 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.305 0.925 0.400 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.977 2.812 2.076 1.00 0.30 C ATOM 0 H ILE A 35 -2.888 4.727 -0.137 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.983 2.210 1.072 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.590 2.912 -0.328 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.933 2.508 2.613 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.254 4.052 1.850 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.370 0.743 0.546 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -4.002 0.544 -0.575 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.740 0.415 1.180 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.228 3.240 3.047 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.548 3.318 1.298 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.222 1.750 2.073 1.00 0.30 H new ATOM 481 N ILE A 36 -1.332 1.055 -1.050 1.00 0.22 N ATOM 482 CA ILE A 36 -0.846 0.425 -2.267 1.00 0.25 C ATOM 483 C ILE A 36 -1.451 -0.966 -2.416 1.00 0.24 C ATOM 484 O ILE A 36 -1.446 -1.752 -1.468 1.00 0.25 O ATOM 485 CB ILE A 36 0.697 0.319 -2.259 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.321 1.693 -1.997 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.203 -0.252 -3.576 1.00 0.34 C ATOM 488 CD1 ILE A 36 2.830 1.669 -1.877 1.00 0.40 C ATOM 0 H ILE A 36 -1.041 0.589 -0.190 1.00 0.22 H new ATOM 0 HA ILE A 36 -1.148 1.046 -3.111 1.00 0.25 H new ATOM 0 HB ILE A 36 0.992 -0.358 -1.457 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.041 2.368 -2.806 1.00 0.32 H new ATOM 0 HG13 ILE A 36 0.900 2.103 -1.079 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.291 -0.318 -3.550 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.782 -1.246 -3.727 1.00 0.34 H new ATOM 0 HG23 ILE A 36 0.899 0.399 -4.396 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.196 2.679 -1.692 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.119 1.021 -1.050 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.263 1.290 -2.803 1.00 0.40 H new ATOM 498 N VAL A 37 -1.992 -1.259 -3.592 1.00 0.25 N ATOM 499 CA VAL A 37 -2.605 -2.560 -3.849 1.00 0.25 C ATOM 500 C VAL A 37 -1.883 -3.290 -4.977 1.00 0.23 C ATOM 501 O VAL A 37 -1.557 -2.690 -6.000 1.00 0.26 O ATOM 502 CB VAL A 37 -4.109 -2.435 -4.194 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.904 -1.980 -2.979 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.323 -1.477 -5.361 1.00 0.31 C ATOM 0 H VAL A 37 -2.020 -0.616 -4.383 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.513 -3.137 -2.929 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.468 -3.420 -4.492 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.958 -1.899 -3.244 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.787 -2.706 -2.175 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.537 -1.009 -2.647 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.388 -1.407 -5.584 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.942 -0.491 -5.097 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.793 -1.848 -6.238 1.00 0.31 H new ATOM 514 N ALA A 38 -1.608 -4.573 -4.774 1.00 0.20 N ATOM 515 CA ALA A 38 -0.911 -5.377 -5.776 1.00 0.21 C ATOM 516 C ALA A 38 -1.878 -5.883 -6.842 1.00 0.27 C ATOM 517 O ALA A 38 -2.993 -6.289 -6.526 1.00 0.33 O ATOM 518 CB ALA A 38 -0.198 -6.546 -5.111 1.00 0.26 C ATOM 0 H ALA A 38 -1.856 -5.081 -3.925 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.171 -4.744 -6.264 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.317 -7.137 -5.869 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.527 -6.168 -4.391 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -0.927 -7.172 -4.597 1.00 0.26 H new ATOM 524 N ARG A 39 -1.442 -5.871 -8.101 1.00 0.41 N ATOM 525 CA ARG A 39 -2.275 -6.347 -9.206 1.00 0.56 C ATOM 526 C ARG A 39 -2.661 -7.808 -9.005 1.00 0.54 C ATOM 527 O ARG A 39 -3.825 -8.178 -9.164 1.00 0.60 O ATOM 528 CB ARG A 39 -1.555 -6.179 -10.547 1.00 0.77 C ATOM 529 CG ARG A 39 -1.380 -4.729 -10.955 1.00 0.96 C ATOM 530 CD ARG A 39 -0.741 -4.582 -12.328 1.00 1.49 C ATOM 531 NE ARG A 39 -0.613 -3.173 -12.704 1.00 2.48 N ATOM 532 CZ ARG A 39 -0.106 -2.736 -13.857 1.00 3.10 C ATOM 533 NH1 ARG A 39 0.307 -3.595 -14.781 1.00 3.10 N ATOM 534 NH2 ARG A 39 -0.012 -1.431 -14.082 1.00 4.14 N ATOM 0 H ARG A 39 -0.520 -5.538 -8.381 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.182 -5.743 -9.219 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -0.576 -6.654 -10.488 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -2.116 -6.702 -11.321 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -2.352 -4.235 -10.956 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.764 -4.219 -10.215 1.00 0.96 H new ATOM 0 HD2 ARG A 39 0.243 -5.052 -12.326 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -1.343 -5.106 -13.070 1.00 1.49 H new ATOM 0 HE ARG A 39 -0.935 -2.474 -12.035 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.238 -4.598 -14.612 1.00 3.10 H new ATOM 0 HH12 ARG A 39 0.694 -3.252 -15.660 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -0.327 -0.767 -13.374 1.00 4.14 H new ATOM 0 HH22 ARG A 39 0.375 -1.092 -14.963 1.00 4.14 H new ATOM 542 N ASN A 40 -1.688 -8.626 -8.615 1.00 0.55 N ATOM 543 CA ASN A 40 -1.931 -10.045 -8.359 1.00 0.64 C ATOM 544 C ASN A 40 -2.541 -10.269 -6.977 1.00 0.58 C ATOM 545 O ASN A 40 -2.185 -11.216 -6.275 1.00 0.87 O ATOM 546 CB ASN A 40 -0.633 -10.855 -8.491 1.00 0.81 C ATOM 547 CG ASN A 40 -0.122 -10.916 -9.918 1.00 1.57 C ATOM 548 OD1 ASN A 40 0.256 -9.901 -10.499 1.00 2.18 O ATOM 549 ND2 ASN A 40 -0.101 -12.110 -10.490 1.00 2.33 N ATOM 0 H ASN A 40 -0.722 -8.332 -8.469 1.00 0.55 H new ATOM 0 HA ASN A 40 -2.643 -10.390 -9.109 1.00 0.64 H new ATOM 0 HB2 ASN A 40 0.133 -10.412 -7.854 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -0.804 -11.868 -8.127 1.00 0.81 H new ATOM 0 HD21 ASN A 40 0.238 -12.211 -11.447 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -0.423 -12.929 -9.974 1.00 2.33 H new ATOM 554 N ALA A 41 -3.496 -9.428 -6.616 1.00 0.46 N ATOM 555 CA ALA A 41 -4.210 -9.569 -5.357 1.00 0.43 C ATOM 556 C ALA A 41 -5.702 -9.678 -5.626 1.00 0.40 C ATOM 557 O ALA A 41 -6.153 -9.395 -6.738 1.00 0.44 O ATOM 558 CB ALA A 41 -3.916 -8.398 -4.432 1.00 0.47 C ATOM 0 H ALA A 41 -3.797 -8.634 -7.182 1.00 0.46 H new ATOM 0 HA ALA A 41 -3.870 -10.478 -4.860 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -4.462 -8.527 -3.497 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -2.847 -8.357 -4.225 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.229 -7.470 -4.910 1.00 0.47 H new ATOM 564 N ARG A 42 -6.447 -10.158 -4.636 1.00 0.40 N ATOM 565 CA ARG A 42 -7.887 -10.367 -4.774 1.00 0.43 C ATOM 566 C ARG A 42 -8.574 -9.106 -5.294 1.00 0.44 C ATOM 567 O ARG A 42 -8.448 -8.032 -4.702 1.00 0.42 O ATOM 568 CB ARG A 42 -8.490 -10.760 -3.423 1.00 0.50 C ATOM 569 CG ARG A 42 -7.879 -12.019 -2.827 1.00 0.61 C ATOM 570 CD ARG A 42 -8.267 -13.261 -3.613 1.00 1.23 C ATOM 571 NE ARG A 42 -7.523 -14.449 -3.185 1.00 2.10 N ATOM 572 CZ ARG A 42 -7.596 -14.994 -1.967 1.00 2.98 C ATOM 573 NH1 ARG A 42 -8.433 -14.512 -1.056 1.00 3.25 N ATOM 574 NH2 ARG A 42 -6.846 -16.044 -1.668 1.00 3.98 N ATOM 0 H ARG A 42 -6.075 -10.412 -3.721 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.047 -11.171 -5.493 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.359 -9.936 -2.722 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -9.563 -10.909 -3.543 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -6.793 -11.924 -2.811 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -8.205 -12.127 -1.793 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -9.335 -13.443 -3.495 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -8.088 -13.087 -4.674 1.00 1.23 H new ATOM 0 HE ARG A 42 -6.905 -14.891 -3.865 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -9.030 -13.717 -1.282 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -8.479 -14.937 -0.130 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -6.214 -16.435 -2.367 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -6.900 -16.461 -0.739 1.00 3.98 H new ATOM 582 N PRO A 43 -9.272 -9.214 -6.437 1.00 0.50 N ATOM 583 CA PRO A 43 -9.946 -8.078 -7.076 1.00 0.58 C ATOM 584 C PRO A 43 -10.951 -7.400 -6.156 1.00 0.60 C ATOM 585 O PRO A 43 -11.019 -6.172 -6.097 1.00 0.64 O ATOM 586 CB PRO A 43 -10.659 -8.698 -8.284 1.00 0.67 C ATOM 587 CG PRO A 43 -10.645 -10.170 -8.048 1.00 0.86 C ATOM 588 CD PRO A 43 -9.421 -10.445 -7.226 1.00 0.55 C ATOM 0 HA PRO A 43 -9.236 -7.296 -7.345 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -11.680 -8.325 -8.370 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -10.148 -8.445 -9.213 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.546 -10.490 -7.525 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -10.613 -10.716 -8.991 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -9.550 -11.320 -6.589 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -8.548 -10.632 -7.851 1.00 0.55 H new ATOM 590 N ASP A 44 -11.692 -8.204 -5.399 1.00 0.61 N ATOM 591 CA ASP A 44 -12.671 -7.674 -4.455 1.00 0.68 C ATOM 592 C ASP A 44 -11.986 -6.805 -3.413 1.00 0.60 C ATOM 593 O ASP A 44 -12.438 -5.700 -3.117 1.00 0.65 O ATOM 594 CB ASP A 44 -13.426 -8.811 -3.767 1.00 0.77 C ATOM 595 CG ASP A 44 -14.409 -8.314 -2.724 1.00 1.62 C ATOM 596 OD1 ASP A 44 -15.303 -7.519 -3.078 1.00 2.48 O ATOM 597 OD2 ASP A 44 -14.281 -8.702 -1.542 1.00 2.04 O ATOM 0 H ASP A 44 -11.634 -9.222 -5.420 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.384 -7.065 -5.011 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -13.962 -9.392 -4.517 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -12.710 -9.483 -3.294 1.00 0.77 H new ATOM 600 N ILE A 45 -10.853 -7.289 -2.920 1.00 0.50 N ATOM 601 CA ILE A 45 -10.049 -6.560 -1.948 1.00 0.44 C ATOM 602 C ILE A 45 -9.545 -5.241 -2.526 1.00 0.40 C ATOM 603 O ILE A 45 -9.717 -4.186 -1.918 1.00 0.38 O ATOM 604 CB ILE A 45 -8.848 -7.415 -1.479 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.335 -8.559 -0.586 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.808 -6.569 -0.752 1.00 0.42 C ATOM 607 CD1 ILE A 45 -10.068 -8.090 0.652 1.00 0.62 C ATOM 0 H ILE A 45 -10.466 -8.196 -3.182 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.688 -6.343 -1.092 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.367 -7.835 -2.362 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.994 -9.206 -1.165 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.479 -9.163 -0.285 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.979 -7.203 -0.437 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.437 -5.793 -1.422 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.263 -6.106 0.123 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -10.384 -8.954 1.237 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.405 -7.467 1.253 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.943 -7.511 0.359 1.00 0.62 H new ATOM 617 N LYS A 46 -8.928 -5.309 -3.702 1.00 0.45 N ATOM 618 CA LYS A 46 -8.369 -4.122 -4.342 1.00 0.50 C ATOM 619 C LYS A 46 -9.435 -3.054 -4.547 1.00 0.52 C ATOM 620 O LYS A 46 -9.259 -1.905 -4.145 1.00 0.51 O ATOM 621 CB LYS A 46 -7.750 -4.480 -5.694 1.00 0.58 C ATOM 622 CG LYS A 46 -6.621 -5.492 -5.612 1.00 0.59 C ATOM 623 CD LYS A 46 -6.012 -5.754 -6.980 1.00 0.74 C ATOM 624 CE LYS A 46 -7.029 -6.329 -7.951 1.00 1.09 C ATOM 625 NZ LYS A 46 -6.475 -6.464 -9.325 1.00 1.59 N ATOM 0 H LYS A 46 -8.802 -6.172 -4.231 1.00 0.45 H new ATOM 0 HA LYS A 46 -7.597 -3.728 -3.681 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.530 -4.874 -6.345 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.374 -3.570 -6.162 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -5.851 -5.126 -4.933 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -6.997 -6.426 -5.194 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.610 -4.824 -7.383 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -5.175 -6.445 -6.879 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -7.358 -7.306 -7.595 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -7.909 -5.686 -7.977 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -7.165 -6.953 -9.931 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -6.279 -5.520 -9.715 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -5.593 -7.014 -9.291 1.00 1.59 H new ATOM 631 N GLU A 47 -10.528 -3.438 -5.193 1.00 0.59 N ATOM 632 CA GLU A 47 -11.590 -2.500 -5.519 1.00 0.65 C ATOM 633 C GLU A 47 -12.259 -1.948 -4.267 1.00 0.55 C ATOM 634 O GLU A 47 -12.604 -0.767 -4.211 1.00 0.55 O ATOM 635 CB GLU A 47 -12.632 -3.161 -6.418 1.00 0.79 C ATOM 636 CG GLU A 47 -13.665 -2.185 -6.948 1.00 1.15 C ATOM 637 CD GLU A 47 -14.589 -2.800 -7.972 1.00 1.76 C ATOM 638 OE1 GLU A 47 -14.492 -4.024 -8.194 1.00 2.06 O ATOM 639 OE2 GLU A 47 -15.412 -2.067 -8.562 1.00 2.60 O ATOM 0 H GLU A 47 -10.701 -4.395 -5.501 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.134 -1.666 -6.052 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -12.128 -3.639 -7.258 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -13.138 -3.949 -5.860 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -14.257 -1.804 -6.116 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -13.155 -1.331 -7.394 1.00 1.15 H new ATOM 642 N ASP A 48 -12.457 -2.803 -3.273 1.00 0.50 N ATOM 643 CA ASP A 48 -13.109 -2.392 -2.033 1.00 0.47 C ATOM 644 C ASP A 48 -12.275 -1.337 -1.322 1.00 0.35 C ATOM 645 O ASP A 48 -12.787 -0.290 -0.924 1.00 0.36 O ATOM 646 CB ASP A 48 -13.328 -3.594 -1.116 1.00 0.55 C ATOM 647 CG ASP A 48 -14.250 -3.288 0.045 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.398 -2.868 -0.198 1.00 1.21 O ATOM 649 OD2 ASP A 48 -13.816 -3.426 1.211 1.00 1.00 O ATOM 0 H ASP A 48 -12.177 -3.783 -3.299 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.080 -1.964 -2.282 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -13.744 -4.417 -1.697 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.366 -3.931 -0.730 1.00 0.55 H new ATOM 652 N ILE A 49 -10.969 -1.581 -1.248 1.00 0.29 N ATOM 653 CA ILE A 49 -10.049 -0.625 -0.647 1.00 0.24 C ATOM 654 C ILE A 49 -9.992 0.670 -1.458 1.00 0.26 C ATOM 655 O ILE A 49 -10.105 1.759 -0.894 1.00 0.26 O ATOM 656 CB ILE A 49 -8.625 -1.208 -0.509 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.639 -2.432 0.412 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.667 -0.149 0.025 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.287 -3.092 0.573 1.00 0.36 C ATOM 0 H ILE A 49 -10.527 -2.431 -1.597 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.431 -0.407 0.350 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.279 -1.520 -1.494 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -9.005 -2.132 1.394 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.345 -3.163 0.018 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.668 -0.575 0.117 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.639 0.696 -0.663 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -8.008 0.190 1.003 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.378 -3.950 1.239 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -6.926 -3.425 -0.400 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.581 -2.377 0.997 1.00 0.36 H new ATOM 669 N GLU A 50 -9.840 0.551 -2.777 1.00 0.31 N ATOM 670 CA GLU A 50 -9.775 1.726 -3.648 1.00 0.39 C ATOM 671 C GLU A 50 -11.020 2.593 -3.492 1.00 0.43 C ATOM 672 O GLU A 50 -10.928 3.819 -3.394 1.00 0.48 O ATOM 673 CB GLU A 50 -9.626 1.321 -5.119 1.00 0.46 C ATOM 674 CG GLU A 50 -8.285 0.695 -5.470 1.00 0.61 C ATOM 675 CD GLU A 50 -8.063 0.629 -6.968 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.010 1.691 -7.625 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.924 -0.496 -7.497 1.00 1.57 O ATOM 0 H GLU A 50 -9.760 -0.342 -3.264 1.00 0.31 H new ATOM 0 HA GLU A 50 -8.898 2.298 -3.347 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.418 0.616 -5.370 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -9.775 2.203 -5.742 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.484 1.273 -5.010 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.234 -0.310 -5.051 1.00 0.61 H new ATOM 680 N TYR A 51 -12.175 1.945 -3.460 1.00 0.44 N ATOM 681 CA TYR A 51 -13.449 2.637 -3.324 1.00 0.52 C ATOM 682 C TYR A 51 -13.534 3.356 -1.979 1.00 0.47 C ATOM 683 O TYR A 51 -13.816 4.552 -1.919 1.00 0.51 O ATOM 684 CB TYR A 51 -14.598 1.632 -3.461 1.00 0.61 C ATOM 685 CG TYR A 51 -15.978 2.243 -3.376 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.327 3.337 -4.158 1.00 0.78 C ATOM 687 CD2 TYR A 51 -16.936 1.717 -2.521 1.00 0.77 C ATOM 688 CE1 TYR A 51 -17.591 3.891 -4.086 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.203 2.263 -2.445 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.525 3.350 -3.230 1.00 0.91 C ATOM 691 OH TYR A 51 -19.788 3.897 -3.156 1.00 1.03 O ATOM 0 H TYR A 51 -12.256 0.930 -3.527 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.528 3.384 -4.114 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.501 1.116 -4.416 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.499 0.878 -2.680 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -15.599 3.761 -4.833 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.687 0.866 -1.904 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -17.845 4.744 -4.698 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.937 1.841 -1.775 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.324 3.397 -2.505 1.00 1.03 H new ATOM 699 N TYR A 52 -13.266 2.621 -0.906 1.00 0.43 N ATOM 700 CA TYR A 52 -13.330 3.175 0.444 1.00 0.42 C ATOM 701 C TYR A 52 -12.328 4.304 0.635 1.00 0.38 C ATOM 702 O TYR A 52 -12.654 5.346 1.211 1.00 0.41 O ATOM 703 CB TYR A 52 -13.082 2.077 1.479 1.00 0.47 C ATOM 704 CG TYR A 52 -14.320 1.290 1.839 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.302 1.052 0.891 1.00 0.81 C ATOM 706 CD2 TYR A 52 -14.508 0.782 3.118 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.435 0.331 1.202 1.00 0.89 C ATOM 708 CE2 TYR A 52 -15.637 0.057 3.437 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.594 -0.147 2.524 1.00 0.84 C ATOM 710 OH TYR A 52 -17.724 -0.888 2.784 1.00 0.97 O ATOM 0 H TYR A 52 -13.001 1.637 -0.944 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.330 3.586 0.585 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.326 1.392 1.095 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.673 2.528 2.383 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.178 1.438 -0.110 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -13.758 0.958 3.875 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.186 0.135 0.451 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -15.750 -0.349 4.431 1.00 1.09 H new ATOM 0 HH TYR A 52 -17.725 -1.164 3.724 1.00 0.97 H new ATOM 718 N ALA A 53 -11.115 4.093 0.151 1.00 0.33 N ATOM 719 CA ALA A 53 -10.065 5.087 0.265 1.00 0.34 C ATOM 720 C ALA A 53 -10.440 6.356 -0.482 1.00 0.39 C ATOM 721 O ALA A 53 -10.274 7.454 0.040 1.00 0.42 O ATOM 722 CB ALA A 53 -8.749 4.532 -0.251 1.00 0.34 C ATOM 0 H ALA A 53 -10.834 3.237 -0.327 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.944 5.337 1.319 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.972 5.291 -0.158 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.470 3.655 0.333 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.858 4.251 -1.299 1.00 0.34 H new ATOM 728 N ARG A 54 -10.981 6.206 -1.686 1.00 0.42 N ATOM 729 CA ARG A 54 -11.383 7.356 -2.490 1.00 0.50 C ATOM 730 C ARG A 54 -12.465 8.169 -1.781 1.00 0.51 C ATOM 731 O ARG A 54 -12.428 9.400 -1.783 1.00 0.55 O ATOM 732 CB ARG A 54 -11.877 6.910 -3.868 1.00 0.57 C ATOM 733 CG ARG A 54 -12.225 8.069 -4.788 1.00 1.11 C ATOM 734 CD ARG A 54 -12.484 7.598 -6.212 1.00 1.37 C ATOM 735 NE ARG A 54 -12.782 8.714 -7.109 1.00 2.13 N ATOM 736 CZ ARG A 54 -13.943 9.364 -7.136 1.00 3.01 C ATOM 737 NH1 ARG A 54 -14.972 8.924 -6.421 1.00 3.33 N ATOM 738 NH2 ARG A 54 -14.082 10.435 -7.902 1.00 4.04 N ATOM 0 H ARG A 54 -11.151 5.302 -2.127 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.507 7.991 -2.623 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -11.109 6.298 -4.341 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.756 6.278 -3.744 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -13.108 8.583 -4.408 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -11.410 8.793 -4.786 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -11.611 7.059 -6.581 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -13.318 6.896 -6.216 1.00 1.37 H new ATOM 0 HE ARG A 54 -12.053 9.014 -7.756 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -14.874 8.085 -5.849 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -15.860 9.425 -6.444 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -13.300 10.761 -8.470 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -14.971 10.934 -7.924 1.00 4.04 H new ATOM 746 N LEU A 55 -13.403 7.474 -1.140 1.00 0.50 N ATOM 747 CA LEU A 55 -14.477 8.134 -0.396 1.00 0.55 C ATOM 748 C LEU A 55 -13.902 8.985 0.731 1.00 0.55 C ATOM 749 O LEU A 55 -14.295 10.134 0.920 1.00 0.61 O ATOM 750 CB LEU A 55 -15.442 7.101 0.187 1.00 0.61 C ATOM 751 CG LEU A 55 -16.079 6.155 -0.830 1.00 0.86 C ATOM 752 CD1 LEU A 55 -16.981 5.150 -0.127 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.861 6.934 -1.875 1.00 1.37 C ATOM 0 H LEU A 55 -13.442 6.455 -1.120 1.00 0.50 H new ATOM 0 HA LEU A 55 -15.020 8.777 -1.089 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -14.907 6.506 0.927 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.236 7.628 0.716 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.283 5.611 -1.338 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.427 4.483 -0.865 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.393 4.566 0.581 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.770 5.680 0.407 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.306 6.240 -2.589 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.649 7.507 -1.387 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.190 7.614 -2.400 1.00 1.37 H new ATOM 763 N SER A 56 -12.946 8.416 1.453 1.00 0.52 N ATOM 764 CA SER A 56 -12.280 9.120 2.543 1.00 0.58 C ATOM 765 C SER A 56 -11.382 10.228 1.997 1.00 0.62 C ATOM 766 O SER A 56 -11.233 11.285 2.608 1.00 1.17 O ATOM 767 CB SER A 56 -11.449 8.135 3.376 1.00 0.56 C ATOM 768 OG SER A 56 -10.850 8.769 4.497 1.00 1.28 O ATOM 0 H SER A 56 -12.612 7.464 1.303 1.00 0.52 H new ATOM 0 HA SER A 56 -13.041 9.572 3.179 1.00 0.58 H new ATOM 0 HB2 SER A 56 -12.086 7.319 3.717 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.673 7.693 2.750 1.00 0.56 H new ATOM 0 HG SER A 56 -10.330 8.112 5.005 1.00 1.28 H new ATOM 772 N GLY A 57 -10.735 9.945 0.880 1.00 0.48 N ATOM 773 CA GLY A 57 -9.782 10.869 0.310 1.00 0.45 C ATOM 774 C GLY A 57 -8.362 10.391 0.512 1.00 0.35 C ATOM 775 O GLY A 57 -7.433 11.192 0.629 1.00 0.47 O ATOM 0 H GLY A 57 -10.855 9.080 0.352 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.980 10.987 -0.755 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.906 11.850 0.768 1.00 0.45 H new ATOM 779 N ILE A 58 -8.193 9.077 0.509 1.00 0.36 N ATOM 780 CA ILE A 58 -6.885 8.461 0.652 1.00 0.31 C ATOM 781 C ILE A 58 -6.371 7.985 -0.704 1.00 0.32 C ATOM 782 O ILE A 58 -7.059 7.250 -1.413 1.00 0.33 O ATOM 783 CB ILE A 58 -6.935 7.263 1.626 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.422 7.719 3.004 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.568 6.597 1.731 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.602 6.589 3.996 1.00 0.35 C ATOM 0 H ILE A 58 -8.958 8.410 0.407 1.00 0.36 H new ATOM 0 HA ILE A 58 -6.209 9.214 1.056 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.640 6.529 1.236 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.710 8.437 3.411 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.371 8.242 2.888 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.625 5.756 2.422 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.261 6.239 0.748 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.839 7.319 2.098 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.949 6.992 4.948 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.337 5.882 3.612 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.650 6.079 4.143 1.00 0.35 H new ATOM 796 N PRO A 59 -5.166 8.423 -1.092 1.00 0.35 N ATOM 797 CA PRO A 59 -4.545 8.037 -2.363 1.00 0.39 C ATOM 798 C PRO A 59 -4.183 6.554 -2.399 1.00 0.36 C ATOM 799 O PRO A 59 -3.604 6.018 -1.446 1.00 0.37 O ATOM 800 CB PRO A 59 -3.272 8.895 -2.432 1.00 0.45 C ATOM 801 CG PRO A 59 -3.444 9.942 -1.384 1.00 0.46 C ATOM 802 CD PRO A 59 -4.309 9.327 -0.325 1.00 0.41 C ATOM 0 HA PRO A 59 -5.221 8.195 -3.204 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.382 8.294 -2.245 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.153 9.342 -3.419 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.481 10.246 -0.974 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -3.910 10.836 -1.798 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.719 8.791 0.419 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.890 10.078 0.210 1.00 0.41 H new ATOM 804 N VAL A 60 -4.502 5.902 -3.507 1.00 0.36 N ATOM 805 CA VAL A 60 -4.192 4.492 -3.681 1.00 0.33 C ATOM 806 C VAL A 60 -3.241 4.295 -4.856 1.00 0.39 C ATOM 807 O VAL A 60 -3.598 4.560 -6.005 1.00 0.50 O ATOM 808 CB VAL A 60 -5.467 3.652 -3.920 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.129 2.174 -4.066 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.465 3.859 -2.794 1.00 0.39 C ATOM 0 H VAL A 60 -4.977 6.330 -4.302 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.718 4.153 -2.760 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.921 3.990 -4.852 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.044 1.606 -4.233 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.457 2.036 -4.913 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.644 1.820 -3.156 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.355 3.259 -2.982 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.015 3.555 -1.849 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.742 4.912 -2.742 1.00 0.39 H new ATOM 820 N TYR A 61 -2.064 3.756 -4.576 1.00 0.35 N ATOM 821 CA TYR A 61 -1.107 3.439 -5.619 1.00 0.41 C ATOM 822 C TYR A 61 -1.352 2.032 -6.146 1.00 0.39 C ATOM 823 O TYR A 61 -1.370 1.057 -5.386 1.00 0.32 O ATOM 824 CB TYR A 61 0.333 3.568 -5.108 1.00 0.46 C ATOM 825 CG TYR A 61 1.383 3.188 -6.137 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.319 3.674 -7.436 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.444 2.354 -5.803 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.280 3.341 -8.371 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.408 2.017 -6.735 1.00 0.65 C ATOM 830 CZ TYR A 61 3.294 2.469 -8.028 1.00 0.72 C ATOM 831 OH TYR A 61 4.279 2.183 -8.948 1.00 0.83 O ATOM 0 H TYR A 61 -1.750 3.529 -3.632 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.243 4.154 -6.431 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.505 4.596 -4.789 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.455 2.937 -4.228 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.504 4.323 -7.720 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.516 1.963 -4.799 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.238 3.761 -9.365 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.247 1.401 -6.448 1.00 0.65 H new ATOM 0 HH TYR A 61 4.920 1.554 -8.556 1.00 0.83 H new ATOM 839 N GLU A 62 -1.523 1.937 -7.448 1.00 0.49 N ATOM 840 CA GLU A 62 -1.720 0.661 -8.099 1.00 0.52 C ATOM 841 C GLU A 62 -0.357 0.017 -8.362 1.00 0.50 C ATOM 842 O GLU A 62 0.437 0.534 -9.151 1.00 0.59 O ATOM 843 CB GLU A 62 -2.489 0.881 -9.404 1.00 0.68 C ATOM 844 CG GLU A 62 -3.462 -0.230 -9.751 1.00 1.24 C ATOM 845 CD GLU A 62 -2.767 -1.484 -10.218 1.00 1.83 C ATOM 846 OE1 GLU A 62 -2.044 -1.417 -11.238 1.00 2.35 O ATOM 847 OE2 GLU A 62 -2.953 -2.537 -9.587 1.00 2.47 O ATOM 0 H GLU A 62 -1.529 2.737 -8.081 1.00 0.49 H new ATOM 0 HA GLU A 62 -2.300 -0.008 -7.464 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -3.038 1.820 -9.334 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -1.774 0.989 -10.219 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -4.071 -0.461 -8.877 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -4.141 0.117 -10.530 1.00 1.24 H new ATOM 850 N PHE A 63 -0.051 -1.051 -7.634 1.00 0.42 N ATOM 851 CA PHE A 63 1.249 -1.698 -7.740 1.00 0.41 C ATOM 852 C PHE A 63 1.375 -2.437 -9.062 1.00 0.44 C ATOM 853 O PHE A 63 0.800 -3.510 -9.248 1.00 0.42 O ATOM 854 CB PHE A 63 1.471 -2.664 -6.572 1.00 0.41 C ATOM 855 CG PHE A 63 2.804 -3.360 -6.602 1.00 0.39 C ATOM 856 CD1 PHE A 63 3.945 -2.680 -6.993 1.00 0.60 C ATOM 857 CD2 PHE A 63 2.915 -4.694 -6.243 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.170 -3.318 -7.029 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.138 -5.335 -6.274 1.00 0.47 C ATOM 860 CZ PHE A 63 5.267 -4.646 -6.646 1.00 0.53 C ATOM 0 H PHE A 63 -0.686 -1.486 -6.965 1.00 0.42 H new ATOM 0 HA PHE A 63 2.015 -0.924 -7.700 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.381 -2.113 -5.636 1.00 0.41 H new ATOM 0 HB3 PHE A 63 0.680 -3.414 -6.578 1.00 0.41 H new ATOM 0 HD1 PHE A 63 3.877 -1.639 -7.273 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.035 -5.239 -5.935 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.050 -2.783 -7.355 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.207 -6.379 -6.006 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.228 -5.139 -6.640 1.00 0.53 H new ATOM 868 N GLU A 64 2.185 -1.882 -9.948 1.00 0.61 N ATOM 869 CA GLU A 64 2.460 -2.488 -11.244 1.00 0.70 C ATOM 870 C GLU A 64 3.423 -3.670 -11.110 1.00 0.62 C ATOM 871 O GLU A 64 4.497 -3.689 -11.716 1.00 0.89 O ATOM 872 CB GLU A 64 3.012 -1.436 -12.216 1.00 0.97 C ATOM 873 CG GLU A 64 4.114 -0.562 -11.632 1.00 1.61 C ATOM 874 CD GLU A 64 4.658 0.434 -12.635 1.00 1.90 C ATOM 875 OE1 GLU A 64 4.286 0.348 -13.823 1.00 2.46 O ATOM 876 OE2 GLU A 64 5.455 1.310 -12.243 1.00 2.08 O ATOM 0 H GLU A 64 2.671 -0.999 -9.791 1.00 0.61 H new ATOM 0 HA GLU A 64 1.523 -2.873 -11.647 1.00 0.70 H new ATOM 0 HB2 GLU A 64 3.396 -1.942 -13.101 1.00 0.97 H new ATOM 0 HB3 GLU A 64 2.193 -0.797 -12.545 1.00 0.97 H new ATOM 0 HG2 GLU A 64 3.727 -0.026 -10.766 1.00 1.61 H new ATOM 0 HG3 GLU A 64 4.927 -1.196 -11.277 1.00 1.61 H new ATOM 879 N GLY A 65 3.020 -4.659 -10.327 1.00 0.62 N ATOM 880 CA GLY A 65 3.827 -5.843 -10.135 1.00 0.64 C ATOM 881 C GLY A 65 3.007 -7.012 -9.630 1.00 0.62 C ATOM 882 O GLY A 65 1.834 -7.153 -9.981 1.00 0.82 O ATOM 0 H GLY A 65 2.137 -4.660 -9.816 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.303 -6.114 -11.077 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.625 -5.627 -9.425 1.00 0.64 H new ATOM 886 N THR A 66 3.612 -7.848 -8.799 1.00 0.63 N ATOM 887 CA THR A 66 2.938 -9.026 -8.280 1.00 0.67 C ATOM 888 C THR A 66 3.012 -9.087 -6.756 1.00 0.60 C ATOM 889 O THR A 66 3.966 -8.599 -6.140 1.00 0.56 O ATOM 890 CB THR A 66 3.518 -10.325 -8.884 1.00 0.83 C ATOM 891 OG1 THR A 66 2.842 -11.469 -8.346 1.00 1.53 O ATOM 892 CG2 THR A 66 5.010 -10.449 -8.614 1.00 1.42 C ATOM 0 H THR A 66 4.570 -7.731 -8.470 1.00 0.63 H new ATOM 0 HA THR A 66 1.892 -8.944 -8.575 1.00 0.67 H new ATOM 0 HB THR A 66 3.365 -10.280 -9.962 1.00 0.83 H new ATOM 0 HG1 THR A 66 3.217 -12.285 -8.738 1.00 1.53 H new ATOM 0 HG21 THR A 66 5.384 -11.374 -9.053 1.00 1.42 H new ATOM 0 HG22 THR A 66 5.532 -9.601 -9.057 1.00 1.42 H new ATOM 0 HG23 THR A 66 5.185 -10.461 -7.538 1.00 1.42 H new ATOM 900 N SER A 67 2.001 -9.712 -6.162 1.00 0.61 N ATOM 901 CA SER A 67 1.918 -9.876 -4.719 1.00 0.58 C ATOM 902 C SER A 67 3.061 -10.737 -4.188 1.00 0.56 C ATOM 903 O SER A 67 3.408 -10.656 -3.013 1.00 0.54 O ATOM 904 CB SER A 67 0.570 -10.491 -4.351 1.00 0.67 C ATOM 905 OG SER A 67 0.235 -11.542 -5.243 1.00 1.25 O ATOM 0 H SER A 67 1.216 -10.119 -6.670 1.00 0.61 H new ATOM 0 HA SER A 67 2.007 -8.893 -4.255 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.606 -10.872 -3.330 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.204 -9.724 -4.378 1.00 0.67 H new ATOM 0 HG SER A 67 -0.511 -11.262 -5.813 1.00 1.25 H new ATOM 909 N VAL A 68 3.634 -11.566 -5.055 1.00 0.64 N ATOM 910 CA VAL A 68 4.744 -12.433 -4.668 1.00 0.67 C ATOM 911 C VAL A 68 5.989 -11.601 -4.347 1.00 0.58 C ATOM 912 O VAL A 68 6.557 -11.701 -3.251 1.00 0.59 O ATOM 913 CB VAL A 68 5.075 -13.451 -5.782 1.00 0.79 C ATOM 914 CG1 VAL A 68 6.112 -14.457 -5.309 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.814 -14.161 -6.248 1.00 0.97 C ATOM 0 H VAL A 68 3.349 -11.656 -6.030 1.00 0.64 H new ATOM 0 HA VAL A 68 4.437 -12.981 -3.777 1.00 0.67 H new ATOM 0 HB VAL A 68 5.496 -12.904 -6.626 1.00 0.79 H new ATOM 0 HG11 VAL A 68 6.327 -15.162 -6.112 1.00 0.84 H new ATOM 0 HG12 VAL A 68 7.027 -13.933 -5.031 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.727 -14.998 -4.445 1.00 0.84 H new ATOM 0 HG21 VAL A 68 4.067 -14.874 -7.033 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.363 -14.690 -5.408 1.00 0.97 H new ATOM 0 HG23 VAL A 68 3.107 -13.429 -6.637 1.00 0.97 H new ATOM 925 N GLU A 69 6.335 -10.702 -5.265 1.00 0.57 N ATOM 926 CA GLU A 69 7.444 -9.777 -5.057 1.00 0.55 C ATOM 927 C GLU A 69 7.138 -8.830 -3.906 1.00 0.48 C ATOM 928 O GLU A 69 7.980 -8.594 -3.046 1.00 0.52 O ATOM 929 CB GLU A 69 7.720 -8.971 -6.328 1.00 0.65 C ATOM 930 CG GLU A 69 8.420 -9.757 -7.425 1.00 1.35 C ATOM 931 CD GLU A 69 9.870 -10.052 -7.100 1.00 1.73 C ATOM 932 OE1 GLU A 69 10.134 -10.893 -6.216 1.00 2.65 O ATOM 933 OE2 GLU A 69 10.759 -9.435 -7.725 1.00 1.82 O ATOM 0 H GLU A 69 5.861 -10.595 -6.162 1.00 0.57 H new ATOM 0 HA GLU A 69 8.330 -10.362 -4.811 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.775 -8.590 -6.716 1.00 0.65 H new ATOM 0 HB3 GLU A 69 8.331 -8.106 -6.070 1.00 0.65 H new ATOM 0 HG2 GLU A 69 7.890 -10.696 -7.588 1.00 1.35 H new ATOM 0 HG3 GLU A 69 8.368 -9.196 -8.358 1.00 1.35 H new ATOM 936 N LEU A 70 5.914 -8.317 -3.878 1.00 0.44 N ATOM 937 CA LEU A 70 5.489 -7.419 -2.815 1.00 0.41 C ATOM 938 C LEU A 70 5.572 -8.120 -1.459 1.00 0.48 C ATOM 939 O LEU A 70 6.023 -7.539 -0.470 1.00 0.56 O ATOM 940 CB LEU A 70 4.060 -6.941 -3.073 1.00 0.41 C ATOM 941 CG LEU A 70 3.599 -5.774 -2.203 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.389 -4.517 -2.531 1.00 0.41 C ATOM 943 CD2 LEU A 70 2.109 -5.533 -2.382 1.00 0.43 C ATOM 0 H LEU A 70 5.199 -8.508 -4.580 1.00 0.44 H new ATOM 0 HA LEU A 70 6.155 -6.556 -2.801 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.975 -6.649 -4.120 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.380 -7.779 -2.919 1.00 0.41 H new ATOM 0 HG LEU A 70 3.782 -6.029 -1.159 1.00 0.38 H new ATOM 0 HD11 LEU A 70 4.046 -3.697 -1.901 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.449 -4.696 -2.349 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.240 -4.256 -3.579 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.798 -4.698 -1.755 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.901 -5.300 -3.426 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.558 -6.428 -2.094 1.00 0.43 H new ATOM 953 N GLY A 71 5.163 -9.382 -1.436 1.00 0.54 N ATOM 954 CA GLY A 71 5.189 -10.164 -0.216 1.00 0.68 C ATOM 955 C GLY A 71 6.588 -10.354 0.326 1.00 0.71 C ATOM 956 O GLY A 71 6.836 -10.111 1.505 1.00 0.84 O ATOM 0 H GLY A 71 4.810 -9.883 -2.252 1.00 0.54 H new ATOM 0 HA2 GLY A 71 4.575 -9.673 0.539 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.741 -11.140 -0.405 1.00 0.68 H new ATOM 960 N THR A 72 7.512 -10.768 -0.531 1.00 0.65 N ATOM 961 CA THR A 72 8.892 -10.970 -0.105 1.00 0.75 C ATOM 962 C THR A 72 9.540 -9.631 0.256 1.00 0.75 C ATOM 963 O THR A 72 10.370 -9.552 1.163 1.00 0.88 O ATOM 964 CB THR A 72 9.724 -11.702 -1.182 1.00 0.80 C ATOM 965 OG1 THR A 72 10.978 -12.130 -0.631 1.00 1.46 O ATOM 966 CG2 THR A 72 9.981 -10.824 -2.396 1.00 1.12 C ATOM 0 H THR A 72 7.335 -10.969 -1.515 1.00 0.65 H new ATOM 0 HA THR A 72 8.874 -11.605 0.781 1.00 0.75 H new ATOM 0 HB THR A 72 9.145 -12.567 -1.506 1.00 0.80 H new ATOM 0 HG1 THR A 72 11.497 -12.594 -1.321 1.00 1.46 H new ATOM 0 HG21 THR A 72 10.569 -11.378 -3.128 1.00 1.12 H new ATOM 0 HG22 THR A 72 9.030 -10.531 -2.841 1.00 1.12 H new ATOM 0 HG23 THR A 72 10.529 -9.932 -2.091 1.00 1.12 H new ATOM 974 N LEU A 73 9.125 -8.585 -0.449 1.00 0.65 N ATOM 975 CA LEU A 73 9.632 -7.237 -0.221 1.00 0.73 C ATOM 976 C LEU A 73 9.299 -6.772 1.196 1.00 0.84 C ATOM 977 O LEU A 73 10.163 -6.275 1.917 1.00 0.97 O ATOM 978 CB LEU A 73 9.001 -6.291 -1.256 1.00 0.71 C ATOM 979 CG LEU A 73 9.670 -4.925 -1.456 1.00 0.91 C ATOM 980 CD1 LEU A 73 9.125 -4.275 -2.715 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.437 -4.006 -0.267 1.00 1.47 C ATOM 0 H LEU A 73 8.430 -8.647 -1.193 1.00 0.65 H new ATOM 0 HA LEU A 73 10.717 -7.232 -0.330 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.986 -6.804 -2.218 1.00 0.71 H new ATOM 0 HB3 LEU A 73 7.963 -6.120 -0.969 1.00 0.71 H new ATOM 0 HG LEU A 73 10.744 -5.086 -1.550 1.00 0.91 H new ATOM 0 HD11 LEU A 73 9.600 -3.304 -2.858 1.00 1.51 H new ATOM 0 HD12 LEU A 73 9.336 -4.912 -3.574 1.00 1.51 H new ATOM 0 HD13 LEU A 73 8.048 -4.141 -2.618 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.926 -3.048 -0.446 1.00 1.47 H new ATOM 0 HD22 LEU A 73 8.367 -3.848 -0.134 1.00 1.47 H new ATOM 0 HD23 LEU A 73 9.851 -4.462 0.632 1.00 1.47 H new ATOM 991 N LEU A 74 8.046 -6.943 1.592 1.00 0.84 N ATOM 992 CA LEU A 74 7.604 -6.519 2.915 1.00 1.03 C ATOM 993 C LEU A 74 8.072 -7.488 3.993 1.00 1.24 C ATOM 994 O LEU A 74 8.425 -7.077 5.099 1.00 1.47 O ATOM 995 CB LEU A 74 6.081 -6.377 2.963 1.00 1.01 C ATOM 996 CG LEU A 74 5.535 -4.994 2.587 1.00 0.93 C ATOM 997 CD1 LEU A 74 5.871 -4.648 1.147 1.00 1.79 C ATOM 998 CD2 LEU A 74 4.033 -4.945 2.809 1.00 1.14 C ATOM 0 H LEU A 74 7.319 -7.371 1.019 1.00 0.84 H new ATOM 0 HA LEU A 74 8.053 -5.545 3.112 1.00 1.03 H new ATOM 0 HB2 LEU A 74 5.643 -7.116 2.292 1.00 1.01 H new ATOM 0 HB3 LEU A 74 5.742 -6.621 3.970 1.00 1.01 H new ATOM 0 HG LEU A 74 6.010 -4.253 3.230 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.472 -3.662 0.907 1.00 1.79 H new ATOM 0 HD12 LEU A 74 6.953 -4.643 1.017 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.429 -5.390 0.482 1.00 1.79 H new ATOM 0 HD21 LEU A 74 3.657 -3.958 2.539 1.00 1.14 H new ATOM 0 HD22 LEU A 74 3.549 -5.700 2.190 1.00 1.14 H new ATOM 0 HD23 LEU A 74 3.814 -5.142 3.858 1.00 1.14 H new ATOM 1008 N GLY A 75 8.029 -8.773 3.681 1.00 1.24 N ATOM 1009 CA GLY A 75 8.395 -9.783 4.652 1.00 1.50 C ATOM 1010 C GLY A 75 7.207 -10.631 5.044 1.00 1.63 C ATOM 1011 O GLY A 75 6.875 -10.753 6.226 1.00 2.22 O ATOM 0 H GLY A 75 7.747 -9.136 2.771 1.00 1.24 H new ATOM 0 HA2 GLY A 75 9.177 -10.420 4.239 1.00 1.50 H new ATOM 0 HA3 GLY A 75 8.809 -9.303 5.539 1.00 1.50 H new ATOM 1015 N ARG A 76 6.521 -11.159 4.043 1.00 1.47 N ATOM 1016 CA ARG A 76 5.325 -11.950 4.265 1.00 1.63 C ATOM 1017 C ARG A 76 5.367 -13.195 3.389 1.00 1.48 C ATOM 1018 O ARG A 76 5.401 -13.091 2.162 1.00 1.41 O ATOM 1019 CB ARG A 76 4.087 -11.118 3.919 1.00 1.84 C ATOM 1020 CG ARG A 76 2.847 -11.459 4.732 1.00 1.98 C ATOM 1021 CD ARG A 76 3.062 -11.154 6.204 1.00 2.35 C ATOM 1022 NE ARG A 76 1.808 -11.062 6.950 1.00 3.01 N ATOM 1023 CZ ARG A 76 1.745 -10.849 8.262 1.00 3.50 C ATOM 1024 NH1 ARG A 76 2.853 -10.855 8.996 1.00 3.60 N ATOM 1025 NH2 ARG A 76 0.570 -10.658 8.848 1.00 4.36 N ATOM 0 H ARG A 76 6.776 -11.052 3.061 1.00 1.47 H new ATOM 0 HA ARG A 76 5.277 -12.247 5.313 1.00 1.63 H new ATOM 0 HB2 ARG A 76 4.322 -10.064 4.064 1.00 1.84 H new ATOM 0 HB3 ARG A 76 3.860 -11.251 2.861 1.00 1.84 H new ATOM 0 HG2 ARG A 76 1.995 -10.890 4.359 1.00 1.98 H new ATOM 0 HG3 ARG A 76 2.604 -12.514 4.607 1.00 1.98 H new ATOM 0 HD2 ARG A 76 3.686 -11.932 6.645 1.00 2.35 H new ATOM 0 HD3 ARG A 76 3.607 -10.215 6.300 1.00 2.35 H new ATOM 0 HE ARG A 76 0.933 -11.167 6.436 1.00 3.01 H new ATOM 0 HH11 ARG A 76 3.757 -11.023 8.554 1.00 3.60 H new ATOM 0 HH12 ARG A 76 2.800 -10.691 10.001 1.00 3.60 H new ATOM 0 HH21 ARG A 76 -0.285 -10.674 8.293 1.00 4.36 H new ATOM 0 HH22 ARG A 76 0.522 -10.495 9.854 1.00 4.36 H new ATOM 1033 N PRO A 77 5.417 -14.387 3.998 1.00 1.57 N ATOM 1034 CA PRO A 77 5.490 -15.650 3.256 1.00 1.60 C ATOM 1035 C PRO A 77 4.260 -15.865 2.382 1.00 1.55 C ATOM 1036 O PRO A 77 4.370 -16.086 1.177 1.00 1.73 O ATOM 1037 CB PRO A 77 5.562 -16.720 4.352 1.00 1.89 C ATOM 1038 CG PRO A 77 5.985 -15.994 5.585 1.00 1.91 C ATOM 1039 CD PRO A 77 5.443 -14.600 5.454 1.00 1.81 C ATOM 0 HA PRO A 77 6.341 -15.673 2.576 1.00 1.60 H new ATOM 0 HB2 PRO A 77 4.596 -17.204 4.493 1.00 1.89 H new ATOM 0 HB3 PRO A 77 6.275 -17.502 4.092 1.00 1.89 H new ATOM 0 HG2 PRO A 77 5.594 -16.482 6.478 1.00 1.91 H new ATOM 0 HG3 PRO A 77 7.071 -15.983 5.677 1.00 1.91 H new ATOM 0 HD2 PRO A 77 4.449 -14.511 5.892 1.00 1.81 H new ATOM 0 HD3 PRO A 77 6.079 -13.871 5.957 1.00 1.81 H new ATOM 1041 N HIS A 78 3.084 -15.729 2.984 1.00 1.55 N ATOM 1042 CA HIS A 78 1.825 -15.873 2.254 1.00 1.56 C ATOM 1043 C HIS A 78 1.427 -14.583 1.535 1.00 1.37 C ATOM 1044 O HIS A 78 0.254 -14.214 1.522 1.00 1.90 O ATOM 1045 CB HIS A 78 0.680 -16.350 3.167 1.00 1.86 C ATOM 1046 CG HIS A 78 0.454 -15.551 4.425 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.295 -14.800 5.178 1.00 2.84 N flip ATOM 1048 CD2 HIS A 78 -0.753 -15.533 5.084 1.00 1.78 C flip ATOM 1049 CE1 HIS A 78 0.588 -14.355 6.267 1.00 3.13 C flip ATOM 1050 NE2 HIS A 78 -0.646 -14.813 6.184 1.00 2.47 N flip ATOM 0 H HIS A 78 2.974 -15.519 3.976 1.00 1.55 H new ATOM 0 HA HIS A 78 1.998 -16.640 1.499 1.00 1.56 H new ATOM 0 HB2 HIS A 78 -0.244 -16.346 2.588 1.00 1.86 H new ATOM 0 HB3 HIS A 78 0.875 -17.385 3.449 1.00 1.86 H new ATOM 0 HD2 HIS A 78 -1.651 -16.032 4.752 1.00 1.78 H new ATOM 0 HE1 HIS A 78 0.977 -13.733 7.060 1.00 3.13 H new ATOM 0 HE2 HIS A 78 -1.392 -14.640 6.857 1.00 2.47 H new ATOM 1057 N THR A 79 2.401 -13.992 0.843 1.00 1.02 N ATOM 1058 CA THR A 79 2.216 -12.812 -0.022 1.00 0.90 C ATOM 1059 C THR A 79 1.576 -11.611 0.690 1.00 0.80 C ATOM 1060 O THR A 79 1.065 -11.716 1.805 1.00 1.06 O ATOM 1061 CB THR A 79 1.399 -13.141 -1.297 1.00 1.08 C ATOM 1062 OG1 THR A 79 0.065 -13.546 -0.962 1.00 1.25 O ATOM 1063 CG2 THR A 79 2.076 -14.239 -2.105 1.00 1.21 C ATOM 0 H THR A 79 3.366 -14.323 0.864 1.00 1.02 H new ATOM 0 HA THR A 79 3.230 -12.527 -0.304 1.00 0.90 H new ATOM 0 HB THR A 79 1.351 -12.234 -1.899 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.066 -13.470 0.006 1.00 1.25 H new ATOM 0 HG21 THR A 79 1.484 -14.453 -2.995 1.00 1.21 H new ATOM 0 HG22 THR A 79 3.072 -13.911 -2.402 1.00 1.21 H new ATOM 0 HG23 THR A 79 2.157 -15.141 -1.498 1.00 1.21 H new ATOM 1071 N VAL A 80 1.584 -10.472 0.006 1.00 0.65 N ATOM 1072 CA VAL A 80 0.932 -9.267 0.497 1.00 0.55 C ATOM 1073 C VAL A 80 -0.046 -8.759 -0.553 1.00 0.48 C ATOM 1074 O VAL A 80 0.323 -8.568 -1.713 1.00 0.56 O ATOM 1075 CB VAL A 80 1.947 -8.146 0.829 1.00 0.62 C ATOM 1076 CG1 VAL A 80 1.231 -6.876 1.268 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.919 -8.599 1.904 1.00 1.24 C ATOM 0 H VAL A 80 2.040 -10.360 -0.899 1.00 0.65 H new ATOM 0 HA VAL A 80 0.410 -9.527 1.418 1.00 0.55 H new ATOM 0 HB VAL A 80 2.511 -7.928 -0.078 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.966 -6.104 1.495 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.578 -6.531 0.466 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.635 -7.083 2.157 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.622 -7.795 2.121 1.00 1.24 H new ATOM 0 HG22 VAL A 80 2.368 -8.853 2.809 1.00 1.24 H new ATOM 0 HG23 VAL A 80 3.466 -9.475 1.555 1.00 1.24 H new ATOM 1087 N SER A 81 -1.298 -8.593 -0.162 1.00 0.42 N ATOM 1088 CA SER A 81 -2.322 -8.127 -1.082 1.00 0.47 C ATOM 1089 C SER A 81 -2.312 -6.604 -1.189 1.00 0.38 C ATOM 1090 O SER A 81 -2.482 -6.040 -2.277 1.00 0.39 O ATOM 1091 CB SER A 81 -3.693 -8.626 -0.627 1.00 0.55 C ATOM 1092 OG SER A 81 -3.805 -8.594 0.790 1.00 1.18 O ATOM 0 H SER A 81 -1.630 -8.774 0.785 1.00 0.42 H new ATOM 0 HA SER A 81 -2.108 -8.530 -2.072 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.474 -8.008 -1.071 1.00 0.55 H new ATOM 0 HB3 SER A 81 -3.850 -9.644 -0.984 1.00 0.55 H new ATOM 0 HG SER A 81 -3.553 -7.705 1.118 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.123 -5.944 -0.054 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.141 -4.495 0.003 1.00 0.30 C ATOM 1098 C ALA A 82 -1.411 -4.000 1.243 1.00 0.30 C ATOM 1099 O ALA A 82 -1.282 -4.723 2.233 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.575 -3.987 -0.004 1.00 0.33 C ATOM 0 H ALA A 82 -1.954 -6.397 0.844 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.627 -4.107 -0.877 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.575 -2.898 0.039 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.072 -4.314 -0.917 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.106 -4.385 0.861 1.00 0.33 H new ATOM 1106 N LEU A 83 -0.931 -2.771 1.186 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.228 -2.171 2.310 1.00 0.31 C ATOM 1108 C LEU A 83 -0.554 -0.688 2.402 1.00 0.28 C ATOM 1109 O LEU A 83 -0.656 -0.002 1.388 1.00 0.30 O ATOM 1110 CB LEU A 83 1.293 -2.372 2.196 1.00 0.37 C ATOM 1111 CG LEU A 83 1.979 -1.678 1.011 1.00 0.44 C ATOM 1112 CD1 LEU A 83 3.458 -1.482 1.301 1.00 0.88 C ATOM 1113 CD2 LEU A 83 1.802 -2.483 -0.268 1.00 0.83 C ATOM 0 H LEU A 83 -1.015 -2.165 0.370 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.565 -2.670 3.219 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.756 -2.017 3.117 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.494 -3.441 2.130 1.00 0.37 H new ATOM 0 HG LEU A 83 1.510 -0.704 0.871 1.00 0.44 H new ATOM 0 HD11 LEU A 83 3.933 -0.989 0.453 1.00 0.88 H new ATOM 0 HD12 LEU A 83 3.575 -0.865 2.192 1.00 0.88 H new ATOM 0 HD13 LEU A 83 3.928 -2.451 1.467 1.00 0.88 H new ATOM 0 HD21 LEU A 83 2.297 -1.970 -1.092 1.00 0.83 H new ATOM 0 HD22 LEU A 83 2.242 -3.472 -0.139 1.00 0.83 H new ATOM 0 HD23 LEU A 83 0.740 -2.585 -0.490 1.00 0.83 H new ATOM 1123 N ALA A 84 -0.780 -0.214 3.614 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.140 1.174 3.837 1.00 0.29 C ATOM 1125 C ALA A 84 -0.020 1.915 4.553 1.00 0.30 C ATOM 1126 O ALA A 84 0.242 1.676 5.733 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.433 1.258 4.637 1.00 0.35 C ATOM 0 H ALA A 84 -0.720 -0.775 4.464 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.295 1.650 2.869 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.694 2.304 4.798 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.234 0.765 4.086 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.298 0.765 5.600 1.00 0.35 H new ATOM 1133 N VAL A 85 0.606 2.843 3.849 1.00 0.35 N ATOM 1134 CA VAL A 85 1.656 3.662 4.425 1.00 0.42 C ATOM 1135 C VAL A 85 1.044 4.757 5.292 1.00 0.41 C ATOM 1136 O VAL A 85 0.252 5.579 4.810 1.00 0.46 O ATOM 1137 CB VAL A 85 2.542 4.302 3.334 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.728 5.021 3.960 1.00 0.69 C ATOM 1139 CG2 VAL A 85 3.011 3.253 2.334 1.00 1.05 C ATOM 0 H VAL A 85 0.402 3.048 2.871 1.00 0.35 H new ATOM 0 HA VAL A 85 2.285 3.014 5.035 1.00 0.42 H new ATOM 0 HB VAL A 85 1.943 5.037 2.796 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.340 5.465 3.175 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.368 5.805 4.626 1.00 0.69 H new ATOM 0 HG13 VAL A 85 4.327 4.309 4.528 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.633 3.727 1.575 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.590 2.489 2.853 1.00 1.05 H new ATOM 0 HG23 VAL A 85 2.146 2.792 1.858 1.00 1.05 H new ATOM 1149 N VAL A 86 1.363 4.722 6.579 1.00 0.44 N ATOM 1150 CA VAL A 86 0.822 5.668 7.541 1.00 0.46 C ATOM 1151 C VAL A 86 1.756 6.862 7.708 1.00 0.47 C ATOM 1152 O VAL A 86 1.309 8.009 7.789 1.00 0.54 O ATOM 1153 CB VAL A 86 0.597 4.997 8.913 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.027 5.970 9.901 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.268 3.753 8.764 1.00 0.53 C ATOM 0 H VAL A 86 2.003 4.038 6.983 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.137 6.014 7.156 1.00 0.46 H new ATOM 0 HB VAL A 86 1.568 4.697 9.306 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.175 5.471 10.859 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.634 6.826 10.036 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -0.989 6.311 9.518 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.416 3.293 9.741 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.235 4.030 8.343 1.00 0.53 H new ATOM 0 HG23 VAL A 86 0.226 3.043 8.100 1.00 0.53 H new ATOM 1165 N ASP A 87 3.053 6.581 7.773 1.00 0.49 N ATOM 1166 CA ASP A 87 4.061 7.622 7.966 1.00 0.60 C ATOM 1167 C ASP A 87 5.038 7.651 6.792 1.00 0.47 C ATOM 1168 O ASP A 87 6.064 6.970 6.809 1.00 0.62 O ATOM 1169 CB ASP A 87 4.822 7.389 9.277 1.00 0.83 C ATOM 1170 CG ASP A 87 5.661 8.583 9.700 1.00 1.50 C ATOM 1171 OD1 ASP A 87 6.557 9.006 8.938 1.00 1.94 O ATOM 1172 OD2 ASP A 87 5.432 9.104 10.810 1.00 2.15 O ATOM 0 H ASP A 87 3.434 5.638 7.695 1.00 0.49 H new ATOM 0 HA ASP A 87 3.553 8.585 8.018 1.00 0.60 H new ATOM 0 HB2 ASP A 87 4.109 7.156 10.067 1.00 0.83 H new ATOM 0 HB3 ASP A 87 5.469 6.519 9.165 1.00 0.83 H new ATOM 1175 N PRO A 88 4.694 8.386 5.724 1.00 0.45 N ATOM 1176 CA PRO A 88 5.511 8.480 4.527 1.00 0.54 C ATOM 1177 C PRO A 88 6.408 9.718 4.531 1.00 0.93 C ATOM 1178 O PRO A 88 6.519 10.415 3.523 1.00 1.68 O ATOM 1179 CB PRO A 88 4.452 8.584 3.435 1.00 0.69 C ATOM 1180 CG PRO A 88 3.302 9.302 4.074 1.00 0.99 C ATOM 1181 CD PRO A 88 3.458 9.165 5.573 1.00 0.66 C ATOM 0 HA PRO A 88 6.201 7.644 4.413 1.00 0.54 H new ATOM 0 HB2 PRO A 88 4.829 9.132 2.572 1.00 0.69 H new ATOM 0 HB3 PRO A 88 4.153 7.598 3.080 1.00 0.69 H new ATOM 0 HG2 PRO A 88 3.296 10.353 3.783 1.00 0.99 H new ATOM 0 HG3 PRO A 88 2.354 8.876 3.746 1.00 0.99 H new ATOM 0 HD2 PRO A 88 3.536 10.138 6.058 1.00 0.66 H new ATOM 0 HD3 PRO A 88 2.605 8.654 6.019 1.00 0.66 H new ATOM 1183 N GLY A 89 6.989 10.021 5.685 1.00 0.73 N ATOM 1184 CA GLY A 89 7.808 11.210 5.806 1.00 1.09 C ATOM 1185 C GLY A 89 9.125 11.088 5.068 1.00 0.99 C ATOM 1186 O GLY A 89 9.414 11.870 4.165 1.00 1.49 O ATOM 0 H GLY A 89 6.908 9.466 6.537 1.00 0.73 H new ATOM 0 HA2 GLY A 89 7.257 12.067 5.419 1.00 1.09 H new ATOM 0 HA3 GLY A 89 8.003 11.406 6.860 1.00 1.09 H new ATOM 1190 N GLU A 90 9.944 10.135 5.489 1.00 0.73 N ATOM 1191 CA GLU A 90 11.267 9.941 4.907 1.00 0.70 C ATOM 1192 C GLU A 90 11.176 9.339 3.509 1.00 0.68 C ATOM 1193 O GLU A 90 11.906 9.741 2.601 1.00 1.07 O ATOM 1194 CB GLU A 90 12.130 9.043 5.804 1.00 0.95 C ATOM 1195 CG GLU A 90 12.598 9.719 7.086 1.00 1.45 C ATOM 1196 CD GLU A 90 11.509 9.872 8.128 1.00 2.32 C ATOM 1197 OE1 GLU A 90 10.430 9.268 7.952 1.00 3.03 O ATOM 1198 OE2 GLU A 90 11.707 10.614 9.115 1.00 2.82 O ATOM 0 H GLU A 90 9.715 9.480 6.236 1.00 0.73 H new ATOM 0 HA GLU A 90 11.736 10.922 4.830 1.00 0.70 H new ATOM 0 HB2 GLU A 90 11.561 8.150 6.063 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.002 8.713 5.240 1.00 0.95 H new ATOM 0 HG2 GLU A 90 13.418 9.141 7.513 1.00 1.45 H new ATOM 0 HG3 GLU A 90 12.996 10.704 6.842 1.00 1.45 H new ATOM 1201 N SER A 91 10.308 8.351 3.351 1.00 0.54 N ATOM 1202 CA SER A 91 10.141 7.680 2.069 1.00 0.53 C ATOM 1203 C SER A 91 9.494 8.613 1.051 1.00 0.49 C ATOM 1204 O SER A 91 8.518 9.299 1.354 1.00 0.57 O ATOM 1205 CB SER A 91 9.293 6.415 2.232 1.00 0.65 C ATOM 1206 OG SER A 91 9.111 5.762 0.989 1.00 1.65 O ATOM 0 H SER A 91 9.708 7.995 4.095 1.00 0.54 H new ATOM 0 HA SER A 91 11.129 7.398 1.704 1.00 0.53 H new ATOM 0 HB2 SER A 91 9.776 5.737 2.936 1.00 0.65 H new ATOM 0 HB3 SER A 91 8.323 6.675 2.655 1.00 0.65 H new ATOM 0 HG SER A 91 9.889 5.927 0.416 1.00 1.65 H new ATOM 1210 N ARG A 92 9.993 8.581 -0.176 1.00 0.50 N ATOM 1211 CA ARG A 92 9.407 9.369 -1.244 1.00 0.55 C ATOM 1212 C ARG A 92 8.482 8.504 -2.093 1.00 0.53 C ATOM 1213 O ARG A 92 8.299 8.748 -3.286 1.00 0.68 O ATOM 1214 CB ARG A 92 10.494 10.012 -2.110 1.00 0.72 C ATOM 1215 CG ARG A 92 11.429 10.933 -1.333 1.00 1.39 C ATOM 1216 CD ARG A 92 10.660 11.875 -0.416 1.00 2.08 C ATOM 1217 NE ARG A 92 9.645 12.644 -1.136 1.00 2.69 N ATOM 1218 CZ ARG A 92 8.689 13.356 -0.540 1.00 3.57 C ATOM 1219 NH1 ARG A 92 8.624 13.419 0.783 1.00 4.00 N ATOM 1220 NH2 ARG A 92 7.797 14.009 -1.268 1.00 4.45 N ATOM 0 H ARG A 92 10.798 8.020 -0.453 1.00 0.50 H new ATOM 0 HA ARG A 92 8.819 10.170 -0.796 1.00 0.55 H new ATOM 0 HB2 ARG A 92 11.082 9.226 -2.583 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.020 10.580 -2.910 1.00 0.72 H new ATOM 0 HG2 ARG A 92 12.121 10.334 -0.741 1.00 1.39 H new ATOM 0 HG3 ARG A 92 12.029 11.515 -2.032 1.00 1.39 H new ATOM 0 HD2 ARG A 92 10.182 11.298 0.376 1.00 2.08 H new ATOM 0 HD3 ARG A 92 11.358 12.560 0.066 1.00 2.08 H new ATOM 0 HE ARG A 92 9.671 12.635 -2.156 1.00 2.69 H new ATOM 0 HH11 ARG A 92 9.309 12.921 1.352 1.00 4.00 H new ATOM 0 HH12 ARG A 92 7.889 13.966 1.232 1.00 4.00 H new ATOM 0 HH21 ARG A 92 7.841 13.968 -2.286 1.00 4.45 H new ATOM 0 HH22 ARG A 92 7.066 14.554 -0.811 1.00 4.45 H new ATOM 1228 N ILE A 93 7.835 7.543 -1.439 1.00 0.46 N ATOM 1229 CA ILE A 93 6.864 6.674 -2.091 1.00 0.57 C ATOM 1230 C ILE A 93 5.657 7.488 -2.562 1.00 0.61 C ATOM 1231 O ILE A 93 4.949 7.099 -3.494 1.00 0.70 O ATOM 1232 CB ILE A 93 6.405 5.535 -1.141 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.509 4.533 -1.877 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.686 6.099 0.079 1.00 0.61 C ATOM 1235 CD1 ILE A 93 6.218 3.781 -2.982 1.00 0.97 C ATOM 0 H ILE A 93 7.969 7.347 -0.447 1.00 0.46 H new ATOM 0 HA ILE A 93 7.346 6.219 -2.957 1.00 0.57 H new ATOM 0 HB ILE A 93 7.296 5.008 -0.799 1.00 0.65 H new ATOM 0 HG12 ILE A 93 5.113 3.816 -1.158 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.656 5.064 -2.300 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.375 5.281 0.728 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.359 6.760 0.625 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.809 6.660 -0.243 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.521 3.091 -3.457 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.590 4.489 -3.723 1.00 0.97 H new ATOM 0 HD13 ILE A 93 7.054 3.221 -2.563 1.00 0.97 H new ATOM 1245 N LEU A 94 5.470 8.654 -1.941 1.00 0.60 N ATOM 1246 CA LEU A 94 4.380 9.562 -2.285 1.00 0.70 C ATOM 1247 C LEU A 94 4.450 9.988 -3.749 1.00 0.70 C ATOM 1248 O LEU A 94 3.428 10.312 -4.356 1.00 0.78 O ATOM 1249 CB LEU A 94 4.429 10.797 -1.386 1.00 0.85 C ATOM 1250 CG LEU A 94 4.288 10.509 0.109 1.00 0.81 C ATOM 1251 CD1 LEU A 94 4.470 11.783 0.917 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.935 9.883 0.405 1.00 1.15 C ATOM 0 H LEU A 94 6.069 8.993 -1.188 1.00 0.60 H new ATOM 0 HA LEU A 94 3.440 9.032 -2.131 1.00 0.70 H new ATOM 0 HB2 LEU A 94 5.374 11.314 -1.554 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.634 11.479 -1.687 1.00 0.85 H new ATOM 0 HG LEU A 94 5.067 9.803 0.398 1.00 0.81 H new ATOM 0 HD11 LEU A 94 4.366 11.559 1.979 1.00 1.63 H new ATOM 0 HD12 LEU A 94 5.461 12.195 0.728 1.00 1.63 H new ATOM 0 HD13 LEU A 94 3.713 12.511 0.624 1.00 1.63 H new ATOM 0 HD21 LEU A 94 2.852 9.685 1.474 1.00 1.15 H new ATOM 0 HD22 LEU A 94 2.143 10.567 0.100 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.838 8.948 -0.146 1.00 1.15 H new ATOM 1262 N ALA A 95 5.649 9.928 -4.322 1.00 0.66 N ATOM 1263 CA ALA A 95 5.848 10.257 -5.727 1.00 0.75 C ATOM 1264 C ALA A 95 5.106 9.269 -6.622 1.00 0.69 C ATOM 1265 O ALA A 95 4.440 9.661 -7.578 1.00 0.78 O ATOM 1266 CB ALA A 95 7.330 10.269 -6.068 1.00 0.86 C ATOM 0 H ALA A 95 6.500 9.653 -3.831 1.00 0.66 H new ATOM 0 HA ALA A 95 5.443 11.253 -5.904 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.459 10.517 -7.122 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.838 11.014 -5.455 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.756 9.285 -5.872 1.00 0.86 H new ATOM 1272 N LEU A 96 5.181 7.988 -6.271 1.00 0.65 N ATOM 1273 CA LEU A 96 4.481 6.953 -7.020 1.00 0.75 C ATOM 1274 C LEU A 96 2.992 6.985 -6.699 1.00 0.80 C ATOM 1275 O LEU A 96 2.154 6.696 -7.553 1.00 0.98 O ATOM 1276 CB LEU A 96 5.044 5.561 -6.708 1.00 1.12 C ATOM 1277 CG LEU A 96 6.515 5.336 -7.080 1.00 0.80 C ATOM 1278 CD1 LEU A 96 7.439 5.885 -6.005 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.784 3.857 -7.305 1.00 1.57 C ATOM 0 H LEU A 96 5.718 7.644 -5.475 1.00 0.65 H new ATOM 0 HA LEU A 96 4.629 7.154 -8.081 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.926 5.373 -5.641 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.439 4.820 -7.231 1.00 1.12 H new ATOM 0 HG LEU A 96 6.716 5.874 -8.007 1.00 0.80 H new ATOM 0 HD11 LEU A 96 8.476 5.712 -6.294 1.00 1.50 H new ATOM 0 HD12 LEU A 96 7.268 6.955 -5.890 1.00 1.50 H new ATOM 0 HD13 LEU A 96 7.237 5.381 -5.060 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.832 3.714 -7.568 1.00 1.57 H new ATOM 0 HD22 LEU A 96 6.560 3.304 -6.393 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.153 3.492 -8.115 1.00 1.57 H new ATOM 1289 N GLY A 97 2.671 7.387 -5.474 1.00 0.85 N ATOM 1290 CA GLY A 97 1.284 7.507 -5.069 1.00 1.14 C ATOM 1291 C GLY A 97 0.571 8.616 -5.813 1.00 1.15 C ATOM 1292 O GLY A 97 -0.626 8.522 -6.096 1.00 1.79 O ATOM 0 H GLY A 97 3.349 7.632 -4.753 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.771 6.562 -5.248 1.00 1.14 H new ATOM 0 HA3 GLY A 97 1.234 7.699 -3.997 1.00 1.14 H new ATOM 1296 N GLY A 98 1.308 9.677 -6.112 1.00 1.39 N ATOM 1297 CA GLY A 98 0.750 10.814 -6.814 1.00 2.09 C ATOM 1298 C GLY A 98 -0.044 11.719 -5.895 1.00 2.41 C ATOM 1299 O GLY A 98 0.339 12.868 -5.678 1.00 2.85 O ATOM 0 H GLY A 98 2.296 9.770 -5.877 1.00 1.39 H new ATOM 0 HA2 GLY A 98 1.555 11.385 -7.276 1.00 2.09 H new ATOM 0 HA3 GLY A 98 0.106 10.461 -7.620 1.00 2.09 H new ATOM 1303 N LYS A 99 -1.103 11.163 -5.300 1.00 2.77 N ATOM 1304 CA LYS A 99 -1.964 11.871 -4.342 1.00 3.51 C ATOM 1305 C LYS A 99 -2.796 12.964 -5.020 1.00 3.72 C ATOM 1306 O LYS A 99 -4.019 12.990 -4.879 1.00 4.18 O ATOM 1307 CB LYS A 99 -1.139 12.461 -3.189 1.00 4.19 C ATOM 1308 CG LYS A 99 -0.289 11.428 -2.460 1.00 4.80 C ATOM 1309 CD LYS A 99 0.464 12.019 -1.275 1.00 5.32 C ATOM 1310 CE LYS A 99 1.459 13.092 -1.698 1.00 6.06 C ATOM 1311 NZ LYS A 99 0.842 14.445 -1.748 1.00 6.70 N ATOM 0 H LYS A 99 -1.392 10.200 -5.470 1.00 2.77 H new ATOM 0 HA LYS A 99 -2.656 11.136 -3.932 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -0.489 13.243 -3.581 1.00 4.19 H new ATOM 0 HB3 LYS A 99 -1.813 12.934 -2.475 1.00 4.19 H new ATOM 0 HG2 LYS A 99 -0.929 10.617 -2.111 1.00 4.80 H new ATOM 0 HG3 LYS A 99 0.425 10.992 -3.159 1.00 4.80 H new ATOM 0 HD2 LYS A 99 -0.250 12.446 -0.571 1.00 5.32 H new ATOM 0 HD3 LYS A 99 0.993 11.223 -0.750 1.00 5.32 H new ATOM 0 HE2 LYS A 99 2.297 13.103 -1.001 1.00 6.06 H new ATOM 0 HE3 LYS A 99 1.864 12.843 -2.679 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 0.977 14.853 -2.695 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -0.175 14.370 -1.545 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 1.292 15.058 -1.039 1.00 6.70 H new ATOM 1317 N GLU A 100 -2.130 13.837 -5.774 1.00 3.94 N ATOM 1318 CA GLU A 100 -2.788 14.923 -6.496 1.00 4.63 C ATOM 1319 C GLU A 100 -3.535 15.841 -5.529 1.00 5.04 C ATOM 1320 O GLU A 100 -3.056 16.010 -4.387 1.00 5.51 O ATOM 1321 CB GLU A 100 -3.743 14.370 -7.557 1.00 5.26 C ATOM 1322 CG GLU A 100 -3.056 13.518 -8.613 1.00 5.92 C ATOM 1323 CD GLU A 100 -4.013 13.045 -9.684 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -4.633 13.901 -10.347 1.00 6.97 O ATOM 1325 OE2 GLU A 100 -4.152 11.821 -9.872 1.00 7.01 O ATOM 1326 OXT GLU A 100 -4.590 16.389 -5.910 1.00 5.28 O ATOM 0 H GLU A 100 -1.118 13.811 -5.901 1.00 3.94 H new ATOM 0 HA GLU A 100 -2.019 15.508 -7.000 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -4.512 13.774 -7.066 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -4.249 15.202 -8.047 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -2.254 14.094 -9.075 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -2.594 12.654 -8.135 1.00 5.92 H new TER 1329 GLU A 100