USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.564 K(o=-0.45,f=-7.6!) USER MOD Set 1.2: A 47 SER OG : rot -47:sc= 0.114 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 88:sc= -2.14 USER MOD Single : A 19 GLN : amide:sc= -0.774 X(o=-0.77,f=-0.31) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 156:sc= -0.0563 (180deg=-0.853) USER MOD Single : A 49 ASN : amide:sc= -2.2! C(o=-2.2!,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.996 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.942 K(o=0.94,f=-0.07) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 71 SER OG : rot 45:sc= 0.956 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.689 -12.115 20.456 1.00 61.21 N ATOM 2 CA GLY A 1 9.386 -11.480 20.541 1.00 2.15 C ATOM 3 C GLY A 1 9.398 -10.059 20.017 1.00 54.43 C ATOM 4 O GLY A 1 9.500 -9.105 20.790 1.00 2.25 O ATOM 0 H1 GLY A 1 10.627 -13.085 20.827 1.00 61.21 H new ATOM 0 H2 GLY A 1 10.998 -12.143 19.463 1.00 61.21 H new ATOM 0 H3 GLY A 1 11.377 -11.573 21.017 1.00 61.21 H new ATOM 0 HA2 GLY A 1 8.662 -12.066 19.975 1.00 2.15 H new ATOM 0 HA3 GLY A 1 9.053 -11.478 21.579 1.00 2.15 H new ATOM 8 N SER A 2 9.296 -9.913 18.700 1.00 10.34 N ATOM 9 CA SER A 2 9.302 -8.598 18.073 1.00 71.12 C ATOM 10 C SER A 2 8.711 -8.662 16.667 1.00 13.34 C ATOM 11 O SER A 2 8.408 -9.742 16.158 1.00 45.44 O ATOM 12 CB SER A 2 10.726 -8.042 18.015 1.00 2.52 C ATOM 13 OG SER A 2 11.458 -8.627 16.951 1.00 12.31 O ATOM 0 H SER A 2 9.208 -10.691 18.046 1.00 10.34 H new ATOM 0 HA SER A 2 8.685 -7.933 18.678 1.00 71.12 H new ATOM 0 HB2 SER A 2 10.693 -6.960 17.886 1.00 2.52 H new ATOM 0 HB3 SER A 2 11.234 -8.235 18.960 1.00 2.52 H new ATOM 0 HG SER A 2 12.364 -8.254 16.934 1.00 12.31 H new ATOM 19 N THR A 3 8.550 -7.499 16.045 1.00 73.21 N ATOM 20 CA THR A 3 7.995 -7.422 14.701 1.00 62.24 C ATOM 21 C THR A 3 8.634 -8.457 13.781 1.00 34.54 C ATOM 22 O THR A 3 9.843 -8.437 13.555 1.00 60.11 O ATOM 23 CB THR A 3 8.192 -6.021 14.091 1.00 53.14 C ATOM 24 OG1 THR A 3 7.629 -5.027 14.955 1.00 43.01 O ATOM 25 CG2 THR A 3 7.543 -5.932 12.718 1.00 24.41 C ATOM 0 H THR A 3 8.797 -6.597 16.452 1.00 73.21 H new ATOM 0 HA THR A 3 6.928 -7.626 14.789 1.00 62.24 H new ATOM 0 HB THR A 3 9.262 -5.844 13.982 1.00 53.14 H new ATOM 0 HG1 THR A 3 7.760 -4.139 14.561 1.00 43.01 H new ATOM 0 HG21 THR A 3 7.695 -4.934 12.308 1.00 24.41 H new ATOM 0 HG22 THR A 3 7.993 -6.670 12.054 1.00 24.41 H new ATOM 0 HG23 THR A 3 6.475 -6.128 12.807 1.00 24.41 H new ATOM 33 N MET A 4 7.813 -9.361 13.255 1.00 54.41 N ATOM 34 CA MET A 4 8.299 -10.404 12.360 1.00 10.23 C ATOM 35 C MET A 4 7.138 -11.112 11.669 1.00 41.45 C ATOM 36 O MET A 4 7.129 -11.260 10.448 1.00 25.32 O ATOM 37 CB MET A 4 9.143 -11.419 13.134 1.00 43.42 C ATOM 38 CG MET A 4 10.542 -11.604 12.568 1.00 13.01 C ATOM 39 SD MET A 4 11.504 -12.825 13.481 1.00 30.32 S ATOM 40 CE MET A 4 12.347 -11.777 14.664 1.00 70.12 C ATOM 0 H MET A 4 6.809 -9.392 13.433 1.00 54.41 H new ATOM 0 HA MET A 4 8.920 -9.933 11.598 1.00 10.23 H new ATOM 0 HB2 MET A 4 9.220 -11.098 14.173 1.00 43.42 H new ATOM 0 HB3 MET A 4 8.630 -12.381 13.134 1.00 43.42 H new ATOM 0 HG2 MET A 4 10.470 -11.910 11.524 1.00 13.01 H new ATOM 0 HG3 MET A 4 11.066 -10.648 12.584 1.00 13.01 H new ATOM 0 HE1 MET A 4 12.983 -12.389 15.303 1.00 70.12 H new ATOM 0 HE2 MET A 4 12.960 -11.048 14.133 1.00 70.12 H new ATOM 0 HE3 MET A 4 11.612 -11.255 15.277 1.00 70.12 H new ATOM 50 N ALA A 5 6.162 -11.547 12.459 1.00 11.13 N ATOM 51 CA ALA A 5 4.996 -12.237 11.922 1.00 31.31 C ATOM 52 C ALA A 5 3.980 -11.246 11.365 1.00 31.33 C ATOM 53 O ALA A 5 3.938 -10.088 11.778 1.00 21.10 O ATOM 54 CB ALA A 5 4.356 -13.105 12.996 1.00 72.11 C ATOM 0 H ALA A 5 6.156 -11.434 13.473 1.00 11.13 H new ATOM 0 HA ALA A 5 5.327 -12.876 11.103 1.00 31.31 H new ATOM 0 HB1 ALA A 5 3.486 -13.615 12.581 1.00 72.11 H new ATOM 0 HB2 ALA A 5 5.078 -13.844 13.344 1.00 72.11 H new ATOM 0 HB3 ALA A 5 4.045 -12.479 13.832 1.00 72.11 H new ATOM 60 N GLU A 6 3.163 -11.711 10.425 1.00 72.41 N ATOM 61 CA GLU A 6 2.147 -10.863 9.810 1.00 63.31 C ATOM 62 C GLU A 6 2.792 -9.748 8.992 1.00 54.14 C ATOM 63 O GLU A 6 3.299 -8.772 9.546 1.00 33.33 O ATOM 64 CB GLU A 6 1.235 -10.263 10.882 1.00 72.02 C ATOM 65 CG GLU A 6 0.011 -9.562 10.316 1.00 73.23 C ATOM 66 CD GLU A 6 -0.445 -8.400 11.177 1.00 62.23 C ATOM 67 OE1 GLU A 6 -1.672 -8.195 11.296 1.00 5.34 O ATOM 68 OE2 GLU A 6 0.424 -7.694 11.731 1.00 62.55 O ATOM 0 H GLU A 6 3.184 -12.668 10.073 1.00 72.41 H new ATOM 0 HA GLU A 6 1.550 -11.482 9.141 1.00 63.31 H new ATOM 0 HB2 GLU A 6 0.910 -11.056 11.556 1.00 72.02 H new ATOM 0 HB3 GLU A 6 1.807 -9.552 11.478 1.00 72.02 H new ATOM 0 HG2 GLU A 6 0.236 -9.200 9.313 1.00 73.23 H new ATOM 0 HG3 GLU A 6 -0.803 -10.280 10.221 1.00 73.23 H new ATOM 76 N GLU A 7 2.769 -9.899 7.672 1.00 21.32 N ATOM 77 CA GLU A 7 3.351 -8.905 6.779 1.00 1.43 C ATOM 78 C GLU A 7 2.674 -8.937 5.412 1.00 31.44 C ATOM 79 O GLU A 7 2.581 -9.988 4.777 1.00 71.44 O ATOM 80 CB GLU A 7 4.854 -9.148 6.621 1.00 23.45 C ATOM 81 CG GLU A 7 5.710 -7.968 7.046 1.00 72.25 C ATOM 82 CD GLU A 7 7.190 -8.205 6.811 1.00 31.30 C ATOM 83 OE1 GLU A 7 8.002 -7.744 7.641 1.00 63.03 O ATOM 84 OE2 GLU A 7 7.535 -8.850 5.800 1.00 62.34 O ATOM 0 H GLU A 7 2.353 -10.700 7.197 1.00 21.32 H new ATOM 0 HA GLU A 7 3.192 -7.921 7.220 1.00 1.43 H new ATOM 0 HB2 GLU A 7 5.136 -10.021 7.210 1.00 23.45 H new ATOM 0 HB3 GLU A 7 5.068 -9.384 5.578 1.00 23.45 H new ATOM 0 HG2 GLU A 7 5.396 -7.080 6.497 1.00 72.25 H new ATOM 0 HG3 GLU A 7 5.542 -7.764 8.104 1.00 72.25 H new ATOM 92 N VAL A 8 2.200 -7.778 4.966 1.00 32.22 N ATOM 93 CA VAL A 8 1.531 -7.672 3.675 1.00 32.22 C ATOM 94 C VAL A 8 2.107 -6.528 2.849 1.00 74.43 C ATOM 95 O VAL A 8 2.516 -5.501 3.392 1.00 30.13 O ATOM 96 CB VAL A 8 0.015 -7.456 3.845 1.00 63.42 C ATOM 97 CG1 VAL A 8 -0.635 -7.152 2.504 1.00 43.54 C ATOM 98 CG2 VAL A 8 -0.627 -8.673 4.493 1.00 54.13 C ATOM 0 H VAL A 8 2.267 -6.899 5.480 1.00 32.22 H new ATOM 0 HA VAL A 8 1.700 -8.614 3.153 1.00 32.22 H new ATOM 0 HB VAL A 8 -0.141 -6.599 4.500 1.00 63.42 H new ATOM 0 HG11 VAL A 8 -1.706 -7.002 2.644 1.00 43.54 H new ATOM 0 HG12 VAL A 8 -0.194 -6.248 2.083 1.00 43.54 H new ATOM 0 HG13 VAL A 8 -0.471 -7.987 1.823 1.00 43.54 H new ATOM 0 HG21 VAL A 8 -1.698 -8.503 4.605 1.00 54.13 H new ATOM 0 HG22 VAL A 8 -0.463 -9.549 3.865 1.00 54.13 H new ATOM 0 HG23 VAL A 8 -0.181 -8.841 5.474 1.00 54.13 H new ATOM 108 N VAL A 9 2.136 -6.711 1.533 1.00 20.42 N ATOM 109 CA VAL A 9 2.661 -5.693 0.631 1.00 52.11 C ATOM 110 C VAL A 9 1.674 -5.392 -0.492 1.00 60.14 C ATOM 111 O VAL A 9 1.090 -6.303 -1.080 1.00 54.44 O ATOM 112 CB VAL A 9 4.004 -6.126 0.016 1.00 15.52 C ATOM 113 CG1 VAL A 9 5.165 -5.495 0.770 1.00 1.13 C ATOM 114 CG2 VAL A 9 4.123 -7.643 0.012 1.00 51.33 C ATOM 0 H VAL A 9 1.802 -7.555 1.068 1.00 20.42 H new ATOM 0 HA VAL A 9 2.816 -4.793 1.226 1.00 52.11 H new ATOM 0 HB VAL A 9 4.040 -5.778 -1.016 1.00 15.52 H new ATOM 0 HG11 VAL A 9 6.106 -5.813 0.321 1.00 1.13 H new ATOM 0 HG12 VAL A 9 5.086 -4.409 0.717 1.00 1.13 H new ATOM 0 HG13 VAL A 9 5.136 -5.811 1.813 1.00 1.13 H new ATOM 0 HG21 VAL A 9 5.078 -7.932 -0.426 1.00 51.33 H new ATOM 0 HG22 VAL A 9 4.066 -8.015 1.035 1.00 51.33 H new ATOM 0 HG23 VAL A 9 3.310 -8.070 -0.576 1.00 51.33 H new ATOM 124 N VAL A 10 1.494 -4.108 -0.785 1.00 23.00 N ATOM 125 CA VAL A 10 0.578 -3.687 -1.840 1.00 55.50 C ATOM 126 C VAL A 10 1.290 -2.813 -2.867 1.00 52.01 C ATOM 127 O VAL A 10 2.034 -1.899 -2.512 1.00 72.53 O ATOM 128 CB VAL A 10 -0.621 -2.911 -1.265 1.00 14.41 C ATOM 129 CG1 VAL A 10 -1.320 -3.729 -0.190 1.00 54.22 C ATOM 130 CG2 VAL A 10 -0.170 -1.566 -0.715 1.00 74.41 C ATOM 0 H VAL A 10 1.969 -3.342 -0.308 1.00 23.00 H new ATOM 0 HA VAL A 10 0.215 -4.593 -2.326 1.00 55.50 H new ATOM 0 HB VAL A 10 -1.334 -2.728 -2.069 1.00 14.41 H new ATOM 0 HG11 VAL A 10 -2.165 -3.165 0.205 1.00 54.22 H new ATOM 0 HG12 VAL A 10 -1.678 -4.665 -0.620 1.00 54.22 H new ATOM 0 HG13 VAL A 10 -0.619 -3.945 0.616 1.00 54.22 H new ATOM 0 HG21 VAL A 10 -1.030 -1.031 -0.313 1.00 74.41 H new ATOM 0 HG22 VAL A 10 0.562 -1.724 0.077 1.00 74.41 H new ATOM 0 HG23 VAL A 10 0.281 -0.979 -1.515 1.00 74.41 H new ATOM 140 N VAL A 11 1.055 -3.101 -4.144 1.00 50.53 N ATOM 141 CA VAL A 11 1.672 -2.340 -5.225 1.00 11.55 C ATOM 142 C VAL A 11 0.703 -1.311 -5.795 1.00 23.32 C ATOM 143 O VAL A 11 -0.513 -1.492 -5.742 1.00 12.40 O ATOM 144 CB VAL A 11 2.149 -3.265 -6.360 1.00 40.40 C ATOM 145 CG1 VAL A 11 0.990 -4.089 -6.900 1.00 63.23 C ATOM 146 CG2 VAL A 11 2.800 -2.453 -7.470 1.00 52.14 C ATOM 0 H VAL A 11 0.442 -3.855 -4.455 1.00 50.53 H new ATOM 0 HA VAL A 11 2.534 -1.826 -4.799 1.00 11.55 H new ATOM 0 HB VAL A 11 2.894 -3.951 -5.958 1.00 40.40 H new ATOM 0 HG11 VAL A 11 1.346 -4.737 -7.701 1.00 63.23 H new ATOM 0 HG12 VAL A 11 0.573 -4.699 -6.099 1.00 63.23 H new ATOM 0 HG13 VAL A 11 0.219 -3.423 -7.288 1.00 63.23 H new ATOM 0 HG21 VAL A 11 3.131 -3.122 -8.264 1.00 52.14 H new ATOM 0 HG22 VAL A 11 2.078 -1.742 -7.872 1.00 52.14 H new ATOM 0 HG23 VAL A 11 3.658 -1.912 -7.070 1.00 52.14 H new ATOM 156 N ALA A 12 1.251 -0.230 -6.342 1.00 34.34 N ATOM 157 CA ALA A 12 0.434 0.828 -6.924 1.00 25.04 C ATOM 158 C ALA A 12 0.357 0.688 -8.440 1.00 64.11 C ATOM 159 O ALA A 12 1.339 0.334 -9.093 1.00 61.21 O ATOM 160 CB ALA A 12 0.990 2.192 -6.546 1.00 2.13 C ATOM 0 H ALA A 12 2.256 -0.064 -6.394 1.00 34.34 H new ATOM 0 HA ALA A 12 -0.576 0.736 -6.524 1.00 25.04 H new ATOM 0 HB1 ALA A 12 0.370 2.973 -6.987 1.00 2.13 H new ATOM 0 HB2 ALA A 12 0.989 2.298 -5.461 1.00 2.13 H new ATOM 0 HB3 ALA A 12 2.010 2.285 -6.918 1.00 2.13 H new ATOM 166 N LYS A 13 -0.817 0.968 -8.996 1.00 43.14 N ATOM 167 CA LYS A 13 -1.024 0.874 -10.437 1.00 55.14 C ATOM 168 C LYS A 13 -0.951 2.252 -11.088 1.00 72.50 C ATOM 169 O LYS A 13 -0.638 2.375 -12.272 1.00 30.14 O ATOM 170 CB LYS A 13 -2.378 0.228 -10.738 1.00 4.24 C ATOM 171 CG LYS A 13 -2.978 -0.507 -9.551 1.00 64.24 C ATOM 172 CD LYS A 13 -4.315 -1.137 -9.904 1.00 44.40 C ATOM 173 CE LYS A 13 -4.216 -1.988 -11.161 1.00 54.04 C ATOM 174 NZ LYS A 13 -5.477 -2.734 -11.428 1.00 52.43 N ATOM 0 H LYS A 13 -1.640 1.262 -8.470 1.00 43.14 H new ATOM 0 HA LYS A 13 -0.231 0.252 -10.853 1.00 55.14 H new ATOM 0 HB2 LYS A 13 -3.074 0.999 -11.067 1.00 4.24 H new ATOM 0 HB3 LYS A 13 -2.262 -0.471 -11.567 1.00 4.24 H new ATOM 0 HG2 LYS A 13 -2.288 -1.280 -9.214 1.00 64.24 H new ATOM 0 HG3 LYS A 13 -3.109 0.187 -8.721 1.00 64.24 H new ATOM 0 HD2 LYS A 13 -4.659 -1.753 -9.073 1.00 44.40 H new ATOM 0 HD3 LYS A 13 -5.060 -0.355 -10.051 1.00 44.40 H new ATOM 0 HE2 LYS A 13 -3.984 -1.350 -12.014 1.00 54.04 H new ATOM 0 HE3 LYS A 13 -3.392 -2.694 -11.058 1.00 54.04 H new ATOM 0 HZ1 LYS A 13 -5.368 -3.301 -12.293 1.00 52.43 H new ATOM 0 HZ2 LYS A 13 -5.685 -3.362 -10.626 1.00 52.43 H new ATOM 0 HZ3 LYS A 13 -6.259 -2.060 -11.552 1.00 52.43 H new ATOM 188 N PHE A 14 -1.241 3.287 -10.305 1.00 41.02 N ATOM 189 CA PHE A 14 -1.208 4.657 -10.805 1.00 4.21 C ATOM 190 C PHE A 14 -0.454 5.569 -9.843 1.00 53.33 C ATOM 191 O PHE A 14 -0.011 5.136 -8.779 1.00 14.31 O ATOM 192 CB PHE A 14 -2.630 5.180 -11.015 1.00 70.11 C ATOM 193 CG PHE A 14 -3.449 4.333 -11.946 1.00 73.42 C ATOM 194 CD1 PHE A 14 -4.141 3.231 -11.472 1.00 20.44 C ATOM 195 CD2 PHE A 14 -3.527 4.639 -13.295 1.00 40.43 C ATOM 196 CE1 PHE A 14 -4.897 2.449 -12.326 1.00 52.11 C ATOM 197 CE2 PHE A 14 -4.281 3.862 -14.153 1.00 25.52 C ATOM 198 CZ PHE A 14 -4.966 2.764 -13.668 1.00 72.44 C ATOM 0 H PHE A 14 -1.501 3.203 -9.322 1.00 41.02 H new ATOM 0 HA PHE A 14 -0.685 4.656 -11.761 1.00 4.21 H new ATOM 0 HB2 PHE A 14 -3.134 5.237 -10.050 1.00 70.11 H new ATOM 0 HB3 PHE A 14 -2.581 6.195 -11.409 1.00 70.11 H new ATOM 0 HD1 PHE A 14 -4.090 2.979 -10.423 1.00 20.44 H new ATOM 0 HD2 PHE A 14 -2.992 5.495 -13.680 1.00 40.43 H new ATOM 0 HE1 PHE A 14 -5.433 1.593 -11.943 1.00 52.11 H new ATOM 0 HE2 PHE A 14 -4.335 4.112 -15.202 1.00 25.52 H new ATOM 0 HZ PHE A 14 -5.554 2.154 -14.338 1.00 72.44 H new ATOM 208 N ASP A 15 -0.312 6.834 -10.224 1.00 24.21 N ATOM 209 CA ASP A 15 0.386 7.809 -9.395 1.00 12.24 C ATOM 210 C ASP A 15 -0.603 8.649 -8.593 1.00 14.34 C ATOM 211 O ASP A 15 -1.643 9.061 -9.107 1.00 11.25 O ATOM 212 CB ASP A 15 1.259 8.716 -10.264 1.00 74.44 C ATOM 213 CG ASP A 15 0.439 9.586 -11.196 1.00 44.03 C ATOM 214 OD1 ASP A 15 0.288 9.211 -12.378 1.00 72.22 O ATOM 215 OD2 ASP A 15 -0.053 10.642 -10.745 1.00 51.51 O ATOM 0 H ASP A 15 -0.671 7.208 -11.102 1.00 24.21 H new ATOM 0 HA ASP A 15 1.022 7.266 -8.696 1.00 12.24 H new ATOM 0 HB2 ASP A 15 1.870 9.351 -9.622 1.00 74.44 H new ATOM 0 HB3 ASP A 15 1.943 8.103 -10.851 1.00 74.44 H new ATOM 221 N TYR A 16 -0.272 8.896 -7.330 1.00 61.25 N ATOM 222 CA TYR A 16 -1.133 9.684 -6.455 1.00 41.43 C ATOM 223 C TYR A 16 -0.308 10.627 -5.585 1.00 21.31 C ATOM 224 O TYR A 16 0.830 10.324 -5.226 1.00 70.22 O ATOM 225 CB TYR A 16 -1.977 8.764 -5.572 1.00 23.12 C ATOM 226 CG TYR A 16 -2.440 9.414 -4.289 1.00 32.25 C ATOM 227 CD1 TYR A 16 -3.606 10.169 -4.251 1.00 72.12 C ATOM 228 CD2 TYR A 16 -1.713 9.273 -3.113 1.00 10.12 C ATOM 229 CE1 TYR A 16 -4.033 10.766 -3.080 1.00 21.34 C ATOM 230 CE2 TYR A 16 -2.133 9.864 -1.938 1.00 52.42 C ATOM 231 CZ TYR A 16 -3.293 10.610 -1.926 1.00 65.43 C ATOM 232 OH TYR A 16 -3.716 11.202 -0.758 1.00 51.11 O ATOM 0 H TYR A 16 0.585 8.562 -6.890 1.00 61.25 H new ATOM 0 HA TYR A 16 -1.795 10.282 -7.081 1.00 41.43 H new ATOM 0 HB2 TYR A 16 -2.848 8.432 -6.136 1.00 23.12 H new ATOM 0 HB3 TYR A 16 -1.396 7.874 -5.330 1.00 23.12 H new ATOM 0 HD1 TYR A 16 -4.189 10.291 -5.152 1.00 72.12 H new ATOM 0 HD2 TYR A 16 -0.803 8.691 -3.118 1.00 10.12 H new ATOM 0 HE1 TYR A 16 -4.941 11.351 -3.068 1.00 21.34 H new ATOM 0 HE2 TYR A 16 -1.556 9.743 -1.033 1.00 52.42 H new ATOM 0 HH TYR A 16 -4.327 10.597 -0.288 1.00 51.11 H new ATOM 242 N VAL A 17 -0.891 11.773 -5.247 1.00 24.35 N ATOM 243 CA VAL A 17 -0.213 12.760 -4.417 1.00 73.12 C ATOM 244 C VAL A 17 -0.879 12.880 -3.050 1.00 50.43 C ATOM 245 O VAL A 17 -1.995 13.384 -2.934 1.00 50.21 O ATOM 246 CB VAL A 17 -0.198 14.145 -5.091 1.00 54.23 C ATOM 247 CG1 VAL A 17 0.253 15.214 -4.107 1.00 31.14 C ATOM 248 CG2 VAL A 17 0.698 14.129 -6.320 1.00 72.54 C ATOM 0 H VAL A 17 -1.832 12.040 -5.536 1.00 24.35 H new ATOM 0 HA VAL A 17 0.813 12.415 -4.289 1.00 73.12 H new ATOM 0 HB VAL A 17 -1.212 14.385 -5.411 1.00 54.23 H new ATOM 0 HG11 VAL A 17 0.257 16.185 -4.602 1.00 31.14 H new ATOM 0 HG12 VAL A 17 -0.432 15.241 -3.260 1.00 31.14 H new ATOM 0 HG13 VAL A 17 1.258 14.983 -3.754 1.00 31.14 H new ATOM 0 HG21 VAL A 17 0.697 15.115 -6.784 1.00 72.54 H new ATOM 0 HG22 VAL A 17 1.714 13.867 -6.026 1.00 72.54 H new ATOM 0 HG23 VAL A 17 0.326 13.393 -7.032 1.00 72.54 H new ATOM 258 N ALA A 18 -0.184 12.413 -2.017 1.00 64.20 N ATOM 259 CA ALA A 18 -0.707 12.470 -0.658 1.00 54.40 C ATOM 260 C ALA A 18 -1.169 13.880 -0.306 1.00 13.15 C ATOM 261 O ALA A 18 -0.417 14.662 0.274 1.00 53.42 O ATOM 262 CB ALA A 18 0.347 11.995 0.332 1.00 4.04 C ATOM 0 H ALA A 18 0.742 11.992 -2.096 1.00 64.20 H new ATOM 0 HA ALA A 18 -1.571 11.808 -0.599 1.00 54.40 H new ATOM 0 HB1 ALA A 18 -0.056 12.042 1.344 1.00 4.04 H new ATOM 0 HB2 ALA A 18 0.626 10.967 0.101 1.00 4.04 H new ATOM 0 HB3 ALA A 18 1.227 12.635 0.262 1.00 4.04 H new ATOM 268 N GLN A 19 -2.410 14.197 -0.660 1.00 42.02 N ATOM 269 CA GLN A 19 -2.971 15.514 -0.383 1.00 4.31 C ATOM 270 C GLN A 19 -2.625 15.964 1.032 1.00 34.24 C ATOM 271 O GLN A 19 -2.011 17.013 1.227 1.00 22.01 O ATOM 272 CB GLN A 19 -4.489 15.495 -0.569 1.00 4.22 C ATOM 273 CG GLN A 19 -4.943 16.024 -1.919 1.00 74.02 C ATOM 274 CD GLN A 19 -4.648 17.501 -2.095 1.00 5.20 C ATOM 275 OE1 GLN A 19 -5.455 18.356 -1.730 1.00 3.33 O ATOM 276 NE2 GLN A 19 -3.484 17.809 -2.658 1.00 12.10 N ATOM 0 H GLN A 19 -3.046 13.560 -1.139 1.00 42.02 H new ATOM 0 HA GLN A 19 -2.536 16.223 -1.087 1.00 4.31 H new ATOM 0 HB2 GLN A 19 -4.849 14.473 -0.449 1.00 4.22 H new ATOM 0 HB3 GLN A 19 -4.951 16.090 0.219 1.00 4.22 H new ATOM 0 HG2 GLN A 19 -4.448 15.461 -2.711 1.00 74.02 H new ATOM 0 HG3 GLN A 19 -6.014 15.855 -2.030 1.00 74.02 H new ATOM 0 HE21 GLN A 19 -2.845 17.068 -2.946 1.00 12.10 H new ATOM 0 HE22 GLN A 19 -3.230 18.786 -2.802 1.00 12.10 H new ATOM 285 N GLN A 20 -3.025 15.165 2.017 1.00 73.32 N ATOM 286 CA GLN A 20 -2.759 15.484 3.415 1.00 44.03 C ATOM 287 C GLN A 20 -1.355 15.044 3.815 1.00 50.12 C ATOM 288 O GLN A 20 -0.853 14.027 3.338 1.00 34.31 O ATOM 289 CB GLN A 20 -3.794 14.812 4.319 1.00 23.30 C ATOM 290 CG GLN A 20 -4.708 15.794 5.033 1.00 1.50 C ATOM 291 CD GLN A 20 -5.612 15.120 6.046 1.00 2.03 C ATOM 292 OE1 GLN A 20 -5.268 14.080 6.608 1.00 62.11 O ATOM 293 NE2 GLN A 20 -6.777 15.711 6.284 1.00 13.14 N ATOM 0 H GLN A 20 -3.534 14.293 1.873 1.00 73.32 H new ATOM 0 HA GLN A 20 -2.830 16.565 3.535 1.00 44.03 H new ATOM 0 HB2 GLN A 20 -4.401 14.133 3.720 1.00 23.30 H new ATOM 0 HB3 GLN A 20 -3.276 14.205 5.062 1.00 23.30 H new ATOM 0 HG2 GLN A 20 -4.103 16.547 5.537 1.00 1.50 H new ATOM 0 HG3 GLN A 20 -5.319 16.316 4.297 1.00 1.50 H new ATOM 0 HE21 GLN A 20 -7.021 16.572 5.795 1.00 13.14 H new ATOM 0 HE22 GLN A 20 -7.428 15.304 6.956 1.00 13.14 H new ATOM 302 N GLU A 21 -0.725 15.819 4.693 1.00 12.13 N ATOM 303 CA GLU A 21 0.622 15.509 5.155 1.00 15.11 C ATOM 304 C GLU A 21 0.648 14.179 5.902 1.00 44.51 C ATOM 305 O GLU A 21 1.717 13.653 6.215 1.00 24.03 O ATOM 306 CB GLU A 21 1.143 16.626 6.063 1.00 13.24 C ATOM 307 CG GLU A 21 0.411 16.722 7.392 1.00 4.12 C ATOM 308 CD GLU A 21 -0.326 18.036 7.559 1.00 65.21 C ATOM 309 OE1 GLU A 21 -0.880 18.536 6.557 1.00 24.32 O ATOM 310 OE2 GLU A 21 -0.350 18.564 8.689 1.00 51.15 O ATOM 0 H GLU A 21 -1.126 16.665 5.098 1.00 12.13 H new ATOM 0 HA GLU A 21 1.269 15.428 4.281 1.00 15.11 H new ATOM 0 HB2 GLU A 21 2.204 16.463 6.253 1.00 13.24 H new ATOM 0 HB3 GLU A 21 1.056 17.578 5.540 1.00 13.24 H new ATOM 0 HG2 GLU A 21 -0.299 15.899 7.472 1.00 4.12 H new ATOM 0 HG3 GLU A 21 1.127 16.605 8.206 1.00 4.12 H new ATOM 318 N GLN A 22 -0.534 13.641 6.184 1.00 53.41 N ATOM 319 CA GLN A 22 -0.646 12.373 6.895 1.00 22.21 C ATOM 320 C GLN A 22 -0.596 11.198 5.922 1.00 55.21 C ATOM 321 O GLN A 22 -0.152 10.107 6.278 1.00 65.33 O ATOM 322 CB GLN A 22 -1.945 12.329 7.700 1.00 63.43 C ATOM 323 CG GLN A 22 -2.064 11.107 8.598 1.00 52.23 C ATOM 324 CD GLN A 22 -3.353 11.092 9.394 1.00 24.12 C ATOM 325 OE1 GLN A 22 -4.271 11.868 9.128 1.00 70.35 O ATOM 326 NE2 GLN A 22 -3.431 10.203 10.378 1.00 53.42 N ATOM 0 H GLN A 22 -1.427 14.063 5.931 1.00 53.41 H new ATOM 0 HA GLN A 22 0.199 12.292 7.579 1.00 22.21 H new ATOM 0 HB2 GLN A 22 -2.013 13.228 8.313 1.00 63.43 H new ATOM 0 HB3 GLN A 22 -2.790 12.347 7.012 1.00 63.43 H new ATOM 0 HG2 GLN A 22 -2.008 10.206 7.988 1.00 52.23 H new ATOM 0 HG3 GLN A 22 -1.217 11.081 9.284 1.00 52.23 H new ATOM 0 HE21 GLN A 22 -2.646 9.578 10.564 1.00 53.42 H new ATOM 0 HE22 GLN A 22 -4.276 10.145 10.947 1.00 53.42 H new ATOM 335 N GLU A 23 -1.054 11.431 4.696 1.00 11.34 N ATOM 336 CA GLU A 23 -1.062 10.391 3.674 1.00 11.04 C ATOM 337 C GLU A 23 0.353 10.104 3.179 1.00 11.24 C ATOM 338 O GLU A 23 1.290 10.845 3.479 1.00 62.43 O ATOM 339 CB GLU A 23 -1.951 10.806 2.500 1.00 1.11 C ATOM 340 CG GLU A 23 -3.417 10.951 2.869 1.00 71.21 C ATOM 341 CD GLU A 23 -4.139 11.966 2.003 1.00 10.10 C ATOM 342 OE1 GLU A 23 -3.465 12.648 1.202 1.00 25.14 O ATOM 343 OE2 GLU A 23 -5.376 12.079 2.126 1.00 31.33 O ATOM 0 H GLU A 23 -1.424 12.330 4.387 1.00 11.34 H new ATOM 0 HA GLU A 23 -1.464 9.481 4.120 1.00 11.04 H new ATOM 0 HB2 GLU A 23 -1.590 11.753 2.099 1.00 1.11 H new ATOM 0 HB3 GLU A 23 -1.857 10.067 1.705 1.00 1.11 H new ATOM 0 HG2 GLU A 23 -3.909 9.983 2.775 1.00 71.21 H new ATOM 0 HG3 GLU A 23 -3.497 11.249 3.915 1.00 71.21 H new ATOM 351 N LEU A 24 0.500 9.024 2.421 1.00 3.10 N ATOM 352 CA LEU A 24 1.800 8.636 1.884 1.00 74.44 C ATOM 353 C LEU A 24 1.808 8.725 0.361 1.00 35.20 C ATOM 354 O LEU A 24 0.955 8.143 -0.310 1.00 33.00 O ATOM 355 CB LEU A 24 2.154 7.216 2.325 1.00 23.22 C ATOM 356 CG LEU A 24 3.642 6.923 2.515 1.00 23.04 C ATOM 357 CD1 LEU A 24 4.203 7.738 3.670 1.00 24.05 C ATOM 358 CD2 LEU A 24 3.868 5.436 2.750 1.00 64.40 C ATOM 0 H LEU A 24 -0.265 8.400 2.164 1.00 3.10 H new ATOM 0 HA LEU A 24 2.547 9.327 2.274 1.00 74.44 H new ATOM 0 HB2 LEU A 24 1.641 7.010 3.265 1.00 23.22 H new ATOM 0 HB3 LEU A 24 1.758 6.519 1.587 1.00 23.22 H new ATOM 0 HG LEU A 24 4.168 7.210 1.605 1.00 23.04 H new ATOM 0 HD11 LEU A 24 5.263 7.516 3.790 1.00 24.05 H new ATOM 0 HD12 LEU A 24 4.076 8.800 3.461 1.00 24.05 H new ATOM 0 HD13 LEU A 24 3.672 7.482 4.587 1.00 24.05 H new ATOM 0 HD21 LEU A 24 4.933 5.246 2.883 1.00 64.40 H new ATOM 0 HD22 LEU A 24 3.329 5.123 3.644 1.00 64.40 H new ATOM 0 HD23 LEU A 24 3.504 4.872 1.891 1.00 64.40 H new ATOM 370 N ASP A 25 2.777 9.456 -0.178 1.00 5.45 N ATOM 371 CA ASP A 25 2.899 9.618 -1.622 1.00 5.32 C ATOM 372 C ASP A 25 3.219 8.286 -2.295 1.00 32.13 C ATOM 373 O ASP A 25 4.067 7.529 -1.822 1.00 72.12 O ATOM 374 CB ASP A 25 3.986 10.643 -1.952 1.00 64.24 C ATOM 375 CG ASP A 25 5.285 10.364 -1.223 1.00 3.12 C ATOM 376 OD1 ASP A 25 5.319 10.532 0.015 1.00 44.14 O ATOM 377 OD2 ASP A 25 6.268 9.977 -1.889 1.00 3.33 O ATOM 0 H ASP A 25 3.490 9.946 0.363 1.00 5.45 H new ATOM 0 HA ASP A 25 1.943 9.977 -2.003 1.00 5.32 H new ATOM 0 HB2 ASP A 25 4.168 10.642 -3.027 1.00 64.24 H new ATOM 0 HB3 ASP A 25 3.633 11.640 -1.690 1.00 64.24 H new ATOM 383 N ILE A 26 2.533 8.007 -3.398 1.00 11.35 N ATOM 384 CA ILE A 26 2.743 6.766 -4.133 1.00 3.33 C ATOM 385 C ILE A 26 3.244 7.043 -5.547 1.00 54.32 C ATOM 386 O ILE A 26 3.386 8.198 -5.952 1.00 22.12 O ATOM 387 CB ILE A 26 1.452 5.932 -4.213 1.00 10.05 C ATOM 388 CG1 ILE A 26 0.664 6.289 -5.475 1.00 51.22 C ATOM 389 CG2 ILE A 26 0.601 6.153 -2.971 1.00 15.11 C ATOM 390 CD1 ILE A 26 -0.688 5.617 -5.555 1.00 54.10 C ATOM 0 H ILE A 26 1.828 8.623 -3.802 1.00 11.35 H new ATOM 0 HA ILE A 26 3.497 6.200 -3.586 1.00 3.33 H new ATOM 0 HB ILE A 26 1.722 4.877 -4.263 1.00 10.05 H new ATOM 0 HG12 ILE A 26 0.526 7.370 -5.514 1.00 51.22 H new ATOM 0 HG13 ILE A 26 1.251 6.011 -6.350 1.00 51.22 H new ATOM 0 HG21 ILE A 26 -0.309 5.557 -3.042 1.00 15.11 H new ATOM 0 HG22 ILE A 26 1.163 5.853 -2.087 1.00 15.11 H new ATOM 0 HG23 ILE A 26 0.338 7.208 -2.893 1.00 15.11 H new ATOM 0 HD11 ILE A 26 -1.189 5.917 -6.475 1.00 54.10 H new ATOM 0 HD12 ILE A 26 -0.557 4.535 -5.549 1.00 54.10 H new ATOM 0 HD13 ILE A 26 -1.293 5.914 -4.699 1.00 54.10 H new ATOM 402 N LYS A 27 3.507 5.978 -6.295 1.00 43.43 N ATOM 403 CA LYS A 27 3.989 6.104 -7.666 1.00 55.40 C ATOM 404 C LYS A 27 3.584 4.893 -8.499 1.00 61.43 C ATOM 405 O LYS A 27 3.515 3.773 -7.992 1.00 64.31 O ATOM 406 CB LYS A 27 5.511 6.261 -7.681 1.00 51.02 C ATOM 407 CG LYS A 27 6.122 6.131 -9.065 1.00 43.13 C ATOM 408 CD LYS A 27 5.816 7.345 -9.927 1.00 24.02 C ATOM 409 CE LYS A 27 6.426 8.610 -9.344 1.00 33.44 C ATOM 410 NZ LYS A 27 6.589 9.673 -10.374 1.00 23.14 N ATOM 0 H LYS A 27 3.395 5.016 -5.975 1.00 43.43 H new ATOM 0 HA LYS A 27 3.534 6.992 -8.104 1.00 55.40 H new ATOM 0 HB2 LYS A 27 5.771 7.236 -7.268 1.00 51.02 H new ATOM 0 HB3 LYS A 27 5.952 5.509 -7.026 1.00 51.02 H new ATOM 0 HG2 LYS A 27 7.202 6.009 -8.977 1.00 43.13 H new ATOM 0 HG3 LYS A 27 5.738 5.233 -9.550 1.00 43.13 H new ATOM 0 HD2 LYS A 27 6.202 7.184 -10.934 1.00 24.02 H new ATOM 0 HD3 LYS A 27 4.736 7.467 -10.015 1.00 24.02 H new ATOM 0 HE2 LYS A 27 5.793 8.980 -8.537 1.00 33.44 H new ATOM 0 HE3 LYS A 27 7.397 8.377 -8.906 1.00 33.44 H new ATOM 0 HZ1 LYS A 27 7.008 10.519 -9.937 1.00 23.14 H new ATOM 0 HZ2 LYS A 27 7.213 9.330 -11.131 1.00 23.14 H new ATOM 0 HZ3 LYS A 27 5.660 9.914 -10.774 1.00 23.14 H new ATOM 424 N LYS A 28 3.318 5.124 -9.780 1.00 53.24 N ATOM 425 CA LYS A 28 2.923 4.052 -10.685 1.00 23.13 C ATOM 426 C LYS A 28 3.953 2.926 -10.679 1.00 33.53 C ATOM 427 O LYS A 28 5.131 3.149 -10.953 1.00 4.25 O ATOM 428 CB LYS A 28 2.753 4.592 -12.107 1.00 55.34 C ATOM 429 CG LYS A 28 2.553 3.509 -13.151 1.00 5.34 C ATOM 430 CD LYS A 28 1.658 3.982 -14.283 1.00 25.00 C ATOM 431 CE LYS A 28 2.473 4.462 -15.475 1.00 20.00 C ATOM 432 NZ LYS A 28 1.740 5.482 -16.274 1.00 75.42 N ATOM 0 H LYS A 28 3.369 6.045 -10.215 1.00 53.24 H new ATOM 0 HA LYS A 28 1.970 3.652 -10.338 1.00 23.13 H new ATOM 0 HB2 LYS A 28 1.898 5.268 -12.130 1.00 55.34 H new ATOM 0 HB3 LYS A 28 3.632 5.180 -12.370 1.00 55.34 H new ATOM 0 HG2 LYS A 28 3.520 3.207 -13.553 1.00 5.34 H new ATOM 0 HG3 LYS A 28 2.114 2.628 -12.683 1.00 5.34 H new ATOM 0 HD2 LYS A 28 1.002 3.169 -14.593 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.018 4.790 -13.929 1.00 25.00 H new ATOM 0 HE2 LYS A 28 3.415 4.884 -15.125 1.00 20.00 H new ATOM 0 HE3 LYS A 28 2.721 3.612 -16.111 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 2.329 5.783 -17.077 1.00 75.42 H new ATOM 0 HZ2 LYS A 28 0.853 5.072 -16.630 1.00 75.42 H new ATOM 0 HZ3 LYS A 28 1.525 6.304 -15.674 1.00 75.42 H new ATOM 446 N ASN A 29 3.499 1.717 -10.364 1.00 73.20 N ATOM 447 CA ASN A 29 4.381 0.557 -10.322 1.00 63.12 C ATOM 448 C ASN A 29 5.322 0.631 -9.124 1.00 23.34 C ATOM 449 O ASN A 29 6.472 0.201 -9.197 1.00 64.02 O ATOM 450 CB ASN A 29 5.192 0.461 -11.616 1.00 3.51 C ATOM 451 CG ASN A 29 4.812 -0.749 -12.449 1.00 61.25 C ATOM 452 OD1 ASN A 29 5.353 -1.839 -12.265 1.00 32.31 O ATOM 453 ND2 ASN A 29 3.876 -0.560 -13.372 1.00 64.42 N ATOM 0 H ASN A 29 2.526 1.516 -10.134 1.00 73.20 H new ATOM 0 HA ASN A 29 3.763 -0.335 -10.220 1.00 63.12 H new ATOM 0 HB2 ASN A 29 5.040 1.366 -12.204 1.00 3.51 H new ATOM 0 HB3 ASN A 29 6.254 0.413 -11.373 1.00 3.51 H new ATOM 0 HD21 ASN A 29 3.579 -1.336 -13.963 1.00 64.42 H new ATOM 0 HD22 ASN A 29 3.454 0.361 -13.490 1.00 64.42 H new ATOM 460 N GLU A 30 4.822 1.179 -8.021 1.00 14.32 N ATOM 461 CA GLU A 30 5.618 1.310 -6.806 1.00 0.40 C ATOM 462 C GLU A 30 5.116 0.361 -5.721 1.00 31.24 C ATOM 463 O GLU A 30 3.944 0.396 -5.344 1.00 65.02 O ATOM 464 CB GLU A 30 5.579 2.752 -6.295 1.00 62.21 C ATOM 465 CG GLU A 30 6.799 3.141 -5.477 1.00 61.45 C ATOM 466 CD GLU A 30 6.452 4.045 -4.309 1.00 43.42 C ATOM 467 OE1 GLU A 30 6.856 3.724 -3.172 1.00 4.33 O ATOM 468 OE2 GLU A 30 5.779 5.072 -4.533 1.00 1.21 O ATOM 0 H GLU A 30 3.871 1.539 -7.944 1.00 14.32 H new ATOM 0 HA GLU A 30 6.648 1.046 -7.048 1.00 0.40 H new ATOM 0 HB2 GLU A 30 5.492 3.428 -7.146 1.00 62.21 H new ATOM 0 HB3 GLU A 30 4.685 2.889 -5.686 1.00 62.21 H new ATOM 0 HG2 GLU A 30 7.284 2.239 -5.103 1.00 61.45 H new ATOM 0 HG3 GLU A 30 7.519 3.646 -6.122 1.00 61.45 H new ATOM 476 N ARG A 31 6.011 -0.487 -5.223 1.00 71.34 N ATOM 477 CA ARG A 31 5.658 -1.445 -4.184 1.00 2.15 C ATOM 478 C ARG A 31 5.816 -0.828 -2.797 1.00 4.33 C ATOM 479 O ARG A 31 6.872 -0.288 -2.464 1.00 53.24 O ATOM 480 CB ARG A 31 6.530 -2.697 -4.299 1.00 2.44 C ATOM 481 CG ARG A 31 6.549 -3.300 -5.693 1.00 3.34 C ATOM 482 CD ARG A 31 5.507 -4.399 -5.839 1.00 61.35 C ATOM 483 NE ARG A 31 6.059 -5.720 -5.553 1.00 34.31 N ATOM 484 CZ ARG A 31 6.984 -6.308 -6.302 1.00 24.11 C ATOM 485 NH1 ARG A 31 7.459 -5.695 -7.378 1.00 23.35 N ATOM 486 NH2 ARG A 31 7.436 -7.512 -5.976 1.00 51.42 N ATOM 0 H ARG A 31 6.985 -0.529 -5.523 1.00 71.34 H new ATOM 0 HA ARG A 31 4.613 -1.723 -4.321 1.00 2.15 H new ATOM 0 HB2 ARG A 31 7.550 -2.447 -4.007 1.00 2.44 H new ATOM 0 HB3 ARG A 31 6.170 -3.446 -3.593 1.00 2.44 H new ATOM 0 HG2 ARG A 31 6.362 -2.520 -6.431 1.00 3.34 H new ATOM 0 HG3 ARG A 31 7.539 -3.706 -5.902 1.00 3.34 H new ATOM 0 HD2 ARG A 31 4.674 -4.201 -5.164 1.00 61.35 H new ATOM 0 HD3 ARG A 31 5.106 -4.386 -6.852 1.00 61.35 H new ATOM 0 HE ARG A 31 5.715 -6.219 -4.732 1.00 34.31 H new ATOM 0 HH11 ARG A 31 7.114 -4.769 -7.632 1.00 23.35 H new ATOM 0 HH12 ARG A 31 8.170 -6.149 -7.952 1.00 23.35 H new ATOM 0 HH21 ARG A 31 7.073 -7.987 -5.149 1.00 51.42 H new ATOM 0 HH22 ARG A 31 8.147 -7.963 -6.552 1.00 51.42 H new ATOM 500 N LEU A 32 4.762 -0.912 -1.995 1.00 15.12 N ATOM 501 CA LEU A 32 4.782 -0.360 -0.643 1.00 43.14 C ATOM 502 C LEU A 32 4.521 -1.448 0.392 1.00 0.44 C ATOM 503 O LEU A 32 4.079 -2.547 0.055 1.00 34.30 O ATOM 504 CB LEU A 32 3.739 0.750 -0.509 1.00 12.41 C ATOM 505 CG LEU A 32 4.071 2.071 -1.204 1.00 1.43 C ATOM 506 CD1 LEU A 32 5.235 2.763 -0.509 1.00 21.43 C ATOM 507 CD2 LEU A 32 4.390 1.836 -2.672 1.00 65.22 C ATOM 0 H LEU A 32 3.882 -1.357 -2.256 1.00 15.12 H new ATOM 0 HA LEU A 32 5.772 0.058 -0.461 1.00 43.14 H new ATOM 0 HB2 LEU A 32 2.793 0.382 -0.906 1.00 12.41 H new ATOM 0 HB3 LEU A 32 3.584 0.949 0.551 1.00 12.41 H new ATOM 0 HG LEU A 32 3.198 2.721 -1.141 1.00 1.43 H new ATOM 0 HD11 LEU A 32 5.457 3.701 -1.018 1.00 21.43 H new ATOM 0 HD12 LEU A 32 4.970 2.967 0.529 1.00 21.43 H new ATOM 0 HD13 LEU A 32 6.113 2.117 -0.540 1.00 21.43 H new ATOM 0 HD21 LEU A 32 4.624 2.787 -3.150 1.00 65.22 H new ATOM 0 HD22 LEU A 32 5.247 1.167 -2.756 1.00 65.22 H new ATOM 0 HD23 LEU A 32 3.528 1.385 -3.164 1.00 65.22 H new ATOM 519 N TRP A 33 4.794 -1.135 1.653 1.00 55.41 N ATOM 520 CA TRP A 33 4.586 -2.086 2.740 1.00 43.42 C ATOM 521 C TRP A 33 3.311 -1.761 3.510 1.00 31.14 C ATOM 522 O TRP A 33 3.253 -0.776 4.247 1.00 0.05 O ATOM 523 CB TRP A 33 5.786 -2.079 3.689 1.00 72.13 C ATOM 524 CG TRP A 33 7.079 -2.426 3.015 1.00 74.44 C ATOM 525 CD1 TRP A 33 7.628 -3.669 2.888 1.00 25.22 C ATOM 526 CD2 TRP A 33 7.984 -1.518 2.378 1.00 42.13 C ATOM 527 NE1 TRP A 33 8.820 -3.590 2.210 1.00 43.32 N ATOM 528 CE2 TRP A 33 9.061 -2.280 1.885 1.00 24.33 C ATOM 529 CE3 TRP A 33 7.989 -0.136 2.173 1.00 73.12 C ATOM 530 CZ2 TRP A 33 10.130 -1.705 1.203 1.00 23.12 C ATOM 531 CZ3 TRP A 33 9.051 0.434 1.496 1.00 33.11 C ATOM 532 CH2 TRP A 33 10.109 -0.350 1.017 1.00 11.12 C ATOM 0 H TRP A 33 5.160 -0.230 1.949 1.00 55.41 H new ATOM 0 HA TRP A 33 4.482 -3.080 2.305 1.00 43.42 H new ATOM 0 HB2 TRP A 33 5.875 -1.092 4.143 1.00 72.13 H new ATOM 0 HB3 TRP A 33 5.605 -2.787 4.498 1.00 72.13 H new ATOM 0 HD1 TRP A 33 7.190 -4.581 3.265 1.00 25.22 H new ATOM 0 HE1 TRP A 33 9.427 -4.378 1.985 1.00 43.32 H new ATOM 0 HE3 TRP A 33 7.177 0.476 2.537 1.00 73.12 H new ATOM 0 HZ2 TRP A 33 10.947 -2.307 0.834 1.00 23.12 H new ATOM 0 HZ3 TRP A 33 9.065 1.502 1.334 1.00 33.11 H new ATOM 0 HH2 TRP A 33 10.924 0.125 0.491 1.00 11.12 H new ATOM 543 N LEU A 34 2.292 -2.596 3.335 1.00 55.03 N ATOM 544 CA LEU A 34 1.017 -2.397 4.016 1.00 63.45 C ATOM 545 C LEU A 34 1.133 -2.728 5.500 1.00 65.20 C ATOM 546 O LEU A 34 1.582 -3.813 5.872 1.00 25.42 O ATOM 547 CB LEU A 34 -0.068 -3.264 3.371 1.00 15.22 C ATOM 548 CG LEU A 34 -1.397 -3.343 4.122 1.00 22.55 C ATOM 549 CD1 LEU A 34 -2.078 -1.984 4.149 1.00 72.15 C ATOM 550 CD2 LEU A 34 -2.306 -4.385 3.487 1.00 23.33 C ATOM 0 H LEU A 34 2.324 -3.416 2.729 1.00 55.03 H new ATOM 0 HA LEU A 34 0.741 -1.347 3.919 1.00 63.45 H new ATOM 0 HB2 LEU A 34 -0.262 -2.882 2.369 1.00 15.22 H new ATOM 0 HB3 LEU A 34 0.323 -4.275 3.257 1.00 15.22 H new ATOM 0 HG LEU A 34 -1.194 -3.644 5.150 1.00 22.55 H new ATOM 0 HD11 LEU A 34 -3.022 -2.061 4.688 1.00 72.15 H new ATOM 0 HD12 LEU A 34 -1.432 -1.263 4.650 1.00 72.15 H new ATOM 0 HD13 LEU A 34 -2.269 -1.652 3.128 1.00 72.15 H new ATOM 0 HD21 LEU A 34 -3.248 -4.428 4.034 1.00 23.33 H new ATOM 0 HD22 LEU A 34 -2.501 -4.114 2.449 1.00 23.33 H new ATOM 0 HD23 LEU A 34 -1.821 -5.361 3.522 1.00 23.33 H new ATOM 562 N LEU A 35 0.724 -1.787 6.344 1.00 13.33 N ATOM 563 CA LEU A 35 0.781 -1.980 7.789 1.00 12.13 C ATOM 564 C LEU A 35 -0.618 -2.148 8.371 1.00 34.51 C ATOM 565 O LEU A 35 -0.902 -3.129 9.059 1.00 64.22 O ATOM 566 CB LEU A 35 1.483 -0.795 8.455 1.00 63.02 C ATOM 567 CG LEU A 35 2.928 -0.542 8.023 1.00 43.12 C ATOM 568 CD1 LEU A 35 3.438 0.767 8.605 1.00 2.41 C ATOM 569 CD2 LEU A 35 3.821 -1.699 8.447 1.00 13.34 C ATOM 0 H LEU A 35 0.350 -0.884 6.053 1.00 13.33 H new ATOM 0 HA LEU A 35 1.349 -2.889 7.987 1.00 12.13 H new ATOM 0 HB2 LEU A 35 0.902 0.105 8.255 1.00 63.02 H new ATOM 0 HB3 LEU A 35 1.469 -0.950 9.534 1.00 63.02 H new ATOM 0 HG LEU A 35 2.954 -0.467 6.936 1.00 43.12 H new ATOM 0 HD11 LEU A 35 4.468 0.930 8.287 1.00 2.41 H new ATOM 0 HD12 LEU A 35 2.815 1.589 8.253 1.00 2.41 H new ATOM 0 HD13 LEU A 35 3.397 0.722 9.693 1.00 2.41 H new ATOM 0 HD21 LEU A 35 4.846 -1.502 8.132 1.00 13.34 H new ATOM 0 HD22 LEU A 35 3.789 -1.805 9.531 1.00 13.34 H new ATOM 0 HD23 LEU A 35 3.469 -2.620 7.982 1.00 13.34 H new ATOM 581 N ASP A 36 -1.490 -1.186 8.089 1.00 73.31 N ATOM 582 CA ASP A 36 -2.862 -1.229 8.582 1.00 71.31 C ATOM 583 C ASP A 36 -3.855 -1.001 7.446 1.00 11.34 C ATOM 584 O ASP A 36 -3.942 0.097 6.896 1.00 3.30 O ATOM 585 CB ASP A 36 -3.068 -0.179 9.675 1.00 43.14 C ATOM 586 CG ASP A 36 -3.428 -0.797 11.011 1.00 53.02 C ATOM 587 OD1 ASP A 36 -4.346 -1.642 11.047 1.00 63.21 O ATOM 588 OD2 ASP A 36 -2.791 -0.434 12.022 1.00 34.12 O ATOM 0 H ASP A 36 -1.271 -0.367 7.522 1.00 73.31 H new ATOM 0 HA ASP A 36 -3.040 -2.219 9.003 1.00 71.31 H new ATOM 0 HB2 ASP A 36 -2.158 0.411 9.784 1.00 43.14 H new ATOM 0 HB3 ASP A 36 -3.858 0.508 9.371 1.00 43.14 H new ATOM 594 N ASP A 37 -4.600 -2.045 7.101 1.00 34.42 N ATOM 595 CA ASP A 37 -5.588 -1.958 6.031 1.00 65.11 C ATOM 596 C ASP A 37 -6.993 -2.220 6.564 1.00 13.50 C ATOM 597 O ASP A 37 -7.824 -2.819 5.884 1.00 23.04 O ATOM 598 CB ASP A 37 -5.256 -2.957 4.921 1.00 72.31 C ATOM 599 CG ASP A 37 -5.001 -4.352 5.455 1.00 3.42 C ATOM 600 OD1 ASP A 37 -3.938 -4.565 6.077 1.00 1.22 O ATOM 601 OD2 ASP A 37 -5.863 -5.232 5.254 1.00 24.32 O ATOM 0 H ASP A 37 -4.539 -2.961 7.546 1.00 34.42 H new ATOM 0 HA ASP A 37 -5.557 -0.948 5.623 1.00 65.11 H new ATOM 0 HB2 ASP A 37 -6.079 -2.989 4.207 1.00 72.31 H new ATOM 0 HB3 ASP A 37 -4.376 -2.613 4.378 1.00 72.31 H new ATOM 607 N SER A 38 -7.249 -1.766 7.787 1.00 32.34 N ATOM 608 CA SER A 38 -8.552 -1.955 8.415 1.00 11.42 C ATOM 609 C SER A 38 -9.453 -0.749 8.169 1.00 21.44 C ATOM 610 O SER A 38 -10.629 -0.895 7.831 1.00 14.44 O ATOM 611 CB SER A 38 -8.389 -2.186 9.918 1.00 0.35 C ATOM 612 OG SER A 38 -9.020 -3.389 10.321 1.00 4.42 O ATOM 0 H SER A 38 -6.572 -1.265 8.362 1.00 32.34 H new ATOM 0 HA SER A 38 -9.019 -2.833 7.969 1.00 11.42 H new ATOM 0 HB2 SER A 38 -7.329 -2.226 10.170 1.00 0.35 H new ATOM 0 HB3 SER A 38 -8.816 -1.346 10.466 1.00 0.35 H new ATOM 0 HG SER A 38 -8.900 -3.514 11.285 1.00 4.42 H new ATOM 618 N LYS A 39 -8.895 0.445 8.341 1.00 4.15 N ATOM 619 CA LYS A 39 -9.646 1.678 8.137 1.00 3.20 C ATOM 620 C LYS A 39 -9.788 1.988 6.651 1.00 74.12 C ATOM 621 O LYS A 39 -8.946 1.599 5.842 1.00 53.41 O ATOM 622 CB LYS A 39 -8.954 2.843 8.849 1.00 5.44 C ATOM 623 CG LYS A 39 -9.516 3.132 10.230 1.00 44.14 C ATOM 624 CD LYS A 39 -10.596 4.200 10.180 1.00 61.11 C ATOM 625 CE LYS A 39 -11.396 4.243 11.473 1.00 22.52 C ATOM 626 NZ LYS A 39 -12.486 5.256 11.417 1.00 64.41 N ATOM 0 H LYS A 39 -7.924 0.585 8.621 1.00 4.15 H new ATOM 0 HA LYS A 39 -10.642 1.543 8.558 1.00 3.20 H new ATOM 0 HB2 LYS A 39 -7.890 2.623 8.938 1.00 5.44 H new ATOM 0 HB3 LYS A 39 -9.044 3.739 8.234 1.00 5.44 H new ATOM 0 HG2 LYS A 39 -9.928 2.217 10.655 1.00 44.14 H new ATOM 0 HG3 LYS A 39 -8.712 3.457 10.890 1.00 44.14 H new ATOM 0 HD2 LYS A 39 -10.139 5.173 10.001 1.00 61.11 H new ATOM 0 HD3 LYS A 39 -11.266 4.003 9.343 1.00 61.11 H new ATOM 0 HE2 LYS A 39 -11.824 3.260 11.668 1.00 22.52 H new ATOM 0 HE3 LYS A 39 -10.730 4.472 12.305 1.00 22.52 H new ATOM 0 HZ1 LYS A 39 -13.008 5.255 12.317 1.00 64.41 H new ATOM 0 HZ2 LYS A 39 -12.076 6.198 11.256 1.00 64.41 H new ATOM 0 HZ3 LYS A 39 -13.136 5.024 10.639 1.00 64.41 H new ATOM 640 N SER A 40 -10.860 2.692 6.298 1.00 41.43 N ATOM 641 CA SER A 40 -11.114 3.053 4.908 1.00 41.50 C ATOM 642 C SER A 40 -9.806 3.319 4.169 1.00 65.24 C ATOM 643 O SER A 40 -9.581 2.797 3.076 1.00 13.43 O ATOM 644 CB SER A 40 -12.013 4.288 4.836 1.00 14.00 C ATOM 645 OG SER A 40 -12.630 4.397 3.566 1.00 44.31 O ATOM 0 H SER A 40 -11.566 3.023 6.955 1.00 41.43 H new ATOM 0 HA SER A 40 -11.620 2.216 4.427 1.00 41.50 H new ATOM 0 HB2 SER A 40 -12.777 4.231 5.611 1.00 14.00 H new ATOM 0 HB3 SER A 40 -11.423 5.183 5.035 1.00 14.00 H new ATOM 0 HG SER A 40 -13.201 5.194 3.547 1.00 44.31 H new ATOM 651 N TRP A 41 -8.948 4.133 4.772 1.00 43.51 N ATOM 652 CA TRP A 41 -7.661 4.469 4.170 1.00 12.23 C ATOM 653 C TRP A 41 -6.614 3.411 4.499 1.00 54.51 C ATOM 654 O TRP A 41 -6.315 3.163 5.668 1.00 44.01 O ATOM 655 CB TRP A 41 -7.190 5.840 4.657 1.00 72.12 C ATOM 656 CG TRP A 41 -7.950 6.980 4.049 1.00 41.12 C ATOM 657 CD1 TRP A 41 -9.248 7.324 4.298 1.00 42.33 C ATOM 658 CD2 TRP A 41 -7.459 7.922 3.090 1.00 61.10 C ATOM 659 NE1 TRP A 41 -9.593 8.424 3.551 1.00 72.33 N ATOM 660 CE2 TRP A 41 -8.513 8.811 2.802 1.00 0.11 C ATOM 661 CE3 TRP A 41 -6.231 8.103 2.448 1.00 62.14 C ATOM 662 CZ2 TRP A 41 -8.375 9.863 1.900 1.00 41.41 C ATOM 663 CZ3 TRP A 41 -6.095 9.147 1.552 1.00 74.42 C ATOM 664 CH2 TRP A 41 -7.162 10.016 1.285 1.00 53.51 C ATOM 0 H TRP A 41 -9.119 4.573 5.676 1.00 43.51 H new ATOM 0 HA TRP A 41 -7.791 4.501 3.088 1.00 12.23 H new ATOM 0 HB2 TRP A 41 -7.287 5.885 5.742 1.00 72.12 H new ATOM 0 HB3 TRP A 41 -6.131 5.955 4.427 1.00 72.12 H new ATOM 0 HD1 TRP A 41 -9.906 6.808 4.981 1.00 42.33 H new ATOM 0 HE1 TRP A 41 -10.506 8.879 3.554 1.00 72.33 H new ATOM 0 HE3 TRP A 41 -5.403 7.439 2.648 1.00 62.14 H new ATOM 0 HZ2 TRP A 41 -9.196 10.534 1.693 1.00 41.41 H new ATOM 0 HZ3 TRP A 41 -5.151 9.296 1.049 1.00 74.42 H new ATOM 0 HH2 TRP A 41 -7.024 10.822 0.580 1.00 53.51 H new ATOM 675 N TRP A 42 -6.059 2.791 3.464 1.00 73.51 N ATOM 676 CA TRP A 42 -5.045 1.759 3.646 1.00 45.35 C ATOM 677 C TRP A 42 -3.709 2.375 4.047 1.00 21.04 C ATOM 678 O TRP A 42 -3.054 3.039 3.244 1.00 23.33 O ATOM 679 CB TRP A 42 -4.879 0.946 2.359 1.00 53.21 C ATOM 680 CG TRP A 42 -5.795 -0.238 2.285 1.00 44.34 C ATOM 681 CD1 TRP A 42 -6.969 -0.411 2.959 1.00 61.03 C ATOM 682 CD2 TRP A 42 -5.608 -1.415 1.490 1.00 15.25 C ATOM 683 NE1 TRP A 42 -7.525 -1.624 2.633 1.00 45.42 N ATOM 684 CE2 TRP A 42 -6.710 -2.259 1.732 1.00 12.24 C ATOM 685 CE3 TRP A 42 -4.620 -1.837 0.598 1.00 61.33 C ATOM 686 CZ2 TRP A 42 -6.847 -3.499 1.115 1.00 50.21 C ATOM 687 CZ3 TRP A 42 -4.758 -3.069 -0.015 1.00 54.32 C ATOM 688 CH2 TRP A 42 -5.864 -3.888 0.245 1.00 34.11 C ATOM 0 H TRP A 42 -6.294 2.985 2.491 1.00 73.51 H new ATOM 0 HA TRP A 42 -5.375 1.097 4.447 1.00 45.35 H new ATOM 0 HB2 TRP A 42 -5.063 1.594 1.502 1.00 53.21 H new ATOM 0 HB3 TRP A 42 -3.847 0.604 2.284 1.00 53.21 H new ATOM 0 HD1 TRP A 42 -7.398 0.302 3.648 1.00 61.03 H new ATOM 0 HE1 TRP A 42 -8.402 -1.992 3.001 1.00 45.42 H new ATOM 0 HE3 TRP A 42 -3.764 -1.213 0.391 1.00 61.33 H new ATOM 0 HZ2 TRP A 42 -7.699 -4.132 1.315 1.00 50.21 H new ATOM 0 HZ3 TRP A 42 -4.000 -3.405 -0.706 1.00 54.32 H new ATOM 0 HH2 TRP A 42 -5.943 -4.845 -0.250 1.00 34.11 H new ATOM 699 N ARG A 43 -3.310 2.149 5.295 1.00 73.41 N ATOM 700 CA ARG A 43 -2.053 2.683 5.804 1.00 41.11 C ATOM 701 C ARG A 43 -0.875 1.827 5.348 1.00 50.22 C ATOM 702 O ARG A 43 -0.774 0.652 5.702 1.00 24.41 O ATOM 703 CB ARG A 43 -2.085 2.754 7.332 1.00 3.11 C ATOM 704 CG ARG A 43 -0.755 3.151 7.951 1.00 5.23 C ATOM 705 CD ARG A 43 -0.720 2.846 9.440 1.00 33.24 C ATOM 706 NE ARG A 43 0.419 3.476 10.102 1.00 22.32 N ATOM 707 CZ ARG A 43 0.456 4.760 10.439 1.00 4.02 C ATOM 708 NH1 ARG A 43 -0.579 5.547 10.177 1.00 13.20 N ATOM 709 NH2 ARG A 43 1.529 5.259 11.038 1.00 51.34 N ATOM 0 H ARG A 43 -3.840 1.600 5.972 1.00 73.41 H new ATOM 0 HA ARG A 43 -1.926 3.689 5.404 1.00 41.11 H new ATOM 0 HB2 ARG A 43 -2.847 3.471 7.638 1.00 3.11 H new ATOM 0 HB3 ARG A 43 -2.384 1.783 7.726 1.00 3.11 H new ATOM 0 HG2 ARG A 43 0.054 2.619 7.450 1.00 5.23 H new ATOM 0 HG3 ARG A 43 -0.582 4.215 7.792 1.00 5.23 H new ATOM 0 HD2 ARG A 43 -1.645 3.192 9.902 1.00 33.24 H new ATOM 0 HD3 ARG A 43 -0.674 1.767 9.588 1.00 33.24 H new ATOM 0 HE ARG A 43 1.231 2.898 10.318 1.00 22.32 H new ATOM 0 HH11 ARG A 43 -1.405 5.166 9.716 1.00 13.20 H new ATOM 0 HH12 ARG A 43 -0.549 6.533 10.437 1.00 13.20 H new ATOM 0 HH21 ARG A 43 2.327 4.656 11.240 1.00 51.34 H new ATOM 0 HH22 ARG A 43 1.556 6.245 11.296 1.00 51.34 H new ATOM 723 N VAL A 44 0.014 2.424 4.561 1.00 64.43 N ATOM 724 CA VAL A 44 1.185 1.716 4.056 1.00 70.12 C ATOM 725 C VAL A 44 2.465 2.485 4.363 1.00 43.00 C ATOM 726 O VAL A 44 2.421 3.635 4.799 1.00 51.42 O ATOM 727 CB VAL A 44 1.090 1.485 2.537 1.00 42.34 C ATOM 728 CG1 VAL A 44 -0.221 0.800 2.181 1.00 50.23 C ATOM 729 CG2 VAL A 44 1.233 2.801 1.788 1.00 75.54 C ATOM 0 H VAL A 44 -0.054 3.396 4.259 1.00 64.43 H new ATOM 0 HA VAL A 44 1.214 0.750 4.561 1.00 70.12 H new ATOM 0 HB VAL A 44 1.908 0.830 2.235 1.00 42.34 H new ATOM 0 HG11 VAL A 44 -0.270 0.645 1.103 1.00 50.23 H new ATOM 0 HG12 VAL A 44 -0.278 -0.163 2.689 1.00 50.23 H new ATOM 0 HG13 VAL A 44 -1.056 1.426 2.496 1.00 50.23 H new ATOM 0 HG21 VAL A 44 1.163 2.619 0.716 1.00 75.54 H new ATOM 0 HG22 VAL A 44 0.438 3.481 2.093 1.00 75.54 H new ATOM 0 HG23 VAL A 44 2.200 3.247 2.018 1.00 75.54 H new ATOM 739 N ARG A 45 3.605 1.841 4.132 1.00 11.31 N ATOM 740 CA ARG A 45 4.899 2.464 4.385 1.00 33.14 C ATOM 741 C ARG A 45 5.618 2.775 3.076 1.00 24.14 C ATOM 742 O ARG A 45 5.320 2.185 2.037 1.00 12.32 O ATOM 743 CB ARG A 45 5.768 1.551 5.252 1.00 54.22 C ATOM 744 CG ARG A 45 6.864 2.288 6.005 1.00 23.11 C ATOM 745 CD ARG A 45 7.817 1.321 6.689 1.00 34.24 C ATOM 746 NE ARG A 45 9.097 1.227 5.993 1.00 33.32 N ATOM 747 CZ ARG A 45 10.162 0.611 6.493 1.00 40.21 C ATOM 748 NH1 ARG A 45 10.101 0.039 7.688 1.00 24.40 N ATOM 749 NH2 ARG A 45 11.291 0.567 5.798 1.00 52.13 N ATOM 0 H ARG A 45 3.659 0.889 3.770 1.00 11.31 H new ATOM 0 HA ARG A 45 4.725 3.400 4.916 1.00 33.14 H new ATOM 0 HB2 ARG A 45 5.132 1.032 5.969 1.00 54.22 H new ATOM 0 HB3 ARG A 45 6.223 0.789 4.619 1.00 54.22 H new ATOM 0 HG2 ARG A 45 7.420 2.920 5.313 1.00 23.11 H new ATOM 0 HG3 ARG A 45 6.416 2.947 6.749 1.00 23.11 H new ATOM 0 HD2 ARG A 45 7.986 1.645 7.716 1.00 34.24 H new ATOM 0 HD3 ARG A 45 7.358 0.334 6.738 1.00 34.24 H new ATOM 0 HE ARG A 45 9.178 1.658 5.072 1.00 33.32 H new ATOM 0 HH11 ARG A 45 9.235 0.072 8.225 1.00 24.40 H new ATOM 0 HH12 ARG A 45 10.920 -0.433 8.070 1.00 24.40 H new ATOM 0 HH21 ARG A 45 11.342 1.006 4.879 1.00 52.13 H new ATOM 0 HH22 ARG A 45 12.109 0.094 6.183 1.00 52.13 H new ATOM 763 N ASN A 46 6.565 3.705 3.132 1.00 13.21 N ATOM 764 CA ASN A 46 7.326 4.095 1.951 1.00 1.43 C ATOM 765 C ASN A 46 8.811 3.795 2.136 1.00 22.41 C ATOM 766 O ASN A 46 9.285 3.631 3.260 1.00 41.42 O ATOM 767 CB ASN A 46 7.128 5.583 1.659 1.00 74.21 C ATOM 768 CG ASN A 46 7.417 5.932 0.212 1.00 2.32 C ATOM 769 OD1 ASN A 46 8.515 5.688 -0.289 1.00 22.13 O ATOM 770 ND2 ASN A 46 6.432 6.507 -0.466 1.00 44.35 N ATOM 0 H ASN A 46 6.824 4.203 3.984 1.00 13.21 H new ATOM 0 HA ASN A 46 6.959 3.514 1.105 1.00 1.43 H new ATOM 0 HB2 ASN A 46 6.103 5.864 1.900 1.00 74.21 H new ATOM 0 HB3 ASN A 46 7.780 6.168 2.308 1.00 74.21 H new ATOM 0 HD21 ASN A 46 6.569 6.766 -1.443 1.00 44.35 H new ATOM 0 HD22 ASN A 46 5.538 6.690 -0.010 1.00 44.35 H new ATOM 777 N SER A 47 9.538 3.725 1.025 1.00 15.32 N ATOM 778 CA SER A 47 10.968 3.442 1.065 1.00 32.32 C ATOM 779 C SER A 47 11.702 4.472 1.918 1.00 73.41 C ATOM 780 O SER A 47 12.771 4.195 2.462 1.00 71.32 O ATOM 781 CB SER A 47 11.546 3.431 -0.352 1.00 35.10 C ATOM 782 OG SER A 47 11.468 4.716 -0.945 1.00 14.13 O ATOM 0 H SER A 47 9.161 3.860 0.087 1.00 15.32 H new ATOM 0 HA SER A 47 11.107 2.459 1.515 1.00 32.32 H new ATOM 0 HB2 SER A 47 12.585 3.104 -0.322 1.00 35.10 H new ATOM 0 HB3 SER A 47 11.003 2.711 -0.964 1.00 35.10 H new ATOM 0 HG SER A 47 10.572 5.088 -0.804 1.00 14.13 H new ATOM 788 N MET A 48 11.120 5.662 2.030 1.00 31.13 N ATOM 789 CA MET A 48 11.717 6.733 2.818 1.00 15.41 C ATOM 790 C MET A 48 11.463 6.521 4.307 1.00 12.01 C ATOM 791 O MET A 48 11.713 7.408 5.121 1.00 34.13 O ATOM 792 CB MET A 48 11.159 8.089 2.382 1.00 23.50 C ATOM 793 CG MET A 48 11.762 8.607 1.087 1.00 71.04 C ATOM 794 SD MET A 48 13.184 9.681 1.365 1.00 44.32 S ATOM 795 CE MET A 48 14.527 8.503 1.237 1.00 53.43 C ATOM 0 H MET A 48 10.236 5.908 1.585 1.00 31.13 H new ATOM 0 HA MET A 48 12.793 6.719 2.646 1.00 15.41 H new ATOM 0 HB2 MET A 48 10.079 8.007 2.263 1.00 23.50 H new ATOM 0 HB3 MET A 48 11.338 8.817 3.173 1.00 23.50 H new ATOM 0 HG2 MET A 48 12.065 7.762 0.468 1.00 71.04 H new ATOM 0 HG3 MET A 48 11.002 9.154 0.530 1.00 71.04 H new ATOM 0 HE1 MET A 48 15.443 9.025 0.961 1.00 53.43 H new ATOM 0 HE2 MET A 48 14.668 8.006 2.197 1.00 53.43 H new ATOM 0 HE3 MET A 48 14.288 7.760 0.476 1.00 53.43 H new ATOM 805 N ASN A 49 10.965 5.339 4.655 1.00 65.33 N ATOM 806 CA ASN A 49 10.676 5.010 6.047 1.00 43.44 C ATOM 807 C ASN A 49 9.422 5.733 6.527 1.00 54.24 C ATOM 808 O ASN A 49 8.968 5.531 7.653 1.00 41.21 O ATOM 809 CB ASN A 49 11.864 5.379 6.937 1.00 44.43 C ATOM 810 CG ASN A 49 11.486 6.360 8.029 1.00 73.44 C ATOM 811 OD1 ASN A 49 11.666 6.085 9.215 1.00 54.32 O ATOM 812 ND2 ASN A 49 10.956 7.512 7.633 1.00 24.33 N ATOM 0 H ASN A 49 10.753 4.593 3.993 1.00 65.33 H new ATOM 0 HA ASN A 49 10.502 3.936 6.112 1.00 43.44 H new ATOM 0 HB2 ASN A 49 12.270 4.474 7.390 1.00 44.43 H new ATOM 0 HB3 ASN A 49 12.654 5.810 6.323 1.00 44.43 H new ATOM 0 HD21 ASN A 49 10.680 8.211 8.323 1.00 24.33 H new ATOM 0 HD22 ASN A 49 10.825 7.698 6.639 1.00 24.33 H new ATOM 819 N LYS A 50 8.866 6.578 5.665 1.00 2.11 N ATOM 820 CA LYS A 50 7.662 7.332 5.999 1.00 3.33 C ATOM 821 C LYS A 50 6.413 6.481 5.791 1.00 11.25 C ATOM 822 O LYS A 50 6.329 5.703 4.840 1.00 52.52 O ATOM 823 CB LYS A 50 7.577 8.599 5.146 1.00 55.30 C ATOM 824 CG LYS A 50 8.863 9.409 5.130 1.00 23.33 C ATOM 825 CD LYS A 50 8.961 10.273 3.883 1.00 12.22 C ATOM 826 CE LYS A 50 8.637 11.728 4.188 1.00 65.31 C ATOM 827 NZ LYS A 50 8.746 12.585 2.975 1.00 51.03 N ATOM 0 H LYS A 50 9.230 6.758 4.729 1.00 2.11 H new ATOM 0 HA LYS A 50 7.718 7.613 7.051 1.00 3.33 H new ATOM 0 HB2 LYS A 50 7.319 8.322 4.124 1.00 55.30 H new ATOM 0 HB3 LYS A 50 6.767 9.225 5.520 1.00 55.30 H new ATOM 0 HG2 LYS A 50 8.907 10.041 6.017 1.00 23.33 H new ATOM 0 HG3 LYS A 50 9.719 8.736 5.176 1.00 23.33 H new ATOM 0 HD2 LYS A 50 9.966 10.202 3.468 1.00 12.22 H new ATOM 0 HD3 LYS A 50 8.275 9.897 3.124 1.00 12.22 H new ATOM 0 HE2 LYS A 50 7.628 11.798 4.593 1.00 65.31 H new ATOM 0 HE3 LYS A 50 9.316 12.098 4.957 1.00 65.31 H new ATOM 0 HZ1 LYS A 50 8.518 13.569 3.223 1.00 51.03 H new ATOM 0 HZ2 LYS A 50 9.716 12.538 2.603 1.00 51.03 H new ATOM 0 HZ3 LYS A 50 8.080 12.248 2.251 1.00 51.03 H new ATOM 841 N THR A 51 5.442 6.636 6.686 1.00 11.52 N ATOM 842 CA THR A 51 4.198 5.883 6.600 1.00 31.31 C ATOM 843 C THR A 51 2.990 6.813 6.630 1.00 23.33 C ATOM 844 O THR A 51 2.777 7.539 7.600 1.00 23.23 O ATOM 845 CB THR A 51 4.076 4.866 7.750 1.00 11.12 C ATOM 846 OG1 THR A 51 5.373 4.378 8.112 1.00 32.44 O ATOM 847 CG2 THR A 51 3.184 3.700 7.351 1.00 71.11 C ATOM 0 H THR A 51 5.494 7.276 7.478 1.00 11.52 H new ATOM 0 HA THR A 51 4.218 5.347 5.651 1.00 31.31 H new ATOM 0 HB THR A 51 3.626 5.371 8.605 1.00 11.12 H new ATOM 0 HG1 THR A 51 5.287 3.733 8.845 1.00 32.44 H new ATOM 0 HG21 THR A 51 3.114 2.996 8.180 1.00 71.11 H new ATOM 0 HG22 THR A 51 2.189 4.071 7.104 1.00 71.11 H new ATOM 0 HG23 THR A 51 3.609 3.197 6.483 1.00 71.11 H new ATOM 855 N GLY A 52 2.200 6.785 5.560 1.00 3.31 N ATOM 856 CA GLY A 52 1.023 7.629 5.485 1.00 61.24 C ATOM 857 C GLY A 52 -0.213 6.864 5.054 1.00 44.53 C ATOM 858 O GLY A 52 -0.115 5.742 4.557 1.00 23.12 O ATOM 0 H GLY A 52 2.355 6.193 4.744 1.00 3.31 H new ATOM 0 HA2 GLY A 52 0.843 8.084 6.459 1.00 61.24 H new ATOM 0 HA3 GLY A 52 1.207 8.442 4.782 1.00 61.24 H new ATOM 862 N PHE A 53 -1.380 7.471 5.245 1.00 54.31 N ATOM 863 CA PHE A 53 -2.640 6.839 4.875 1.00 20.15 C ATOM 864 C PHE A 53 -2.943 7.054 3.395 1.00 74.44 C ATOM 865 O PHE A 53 -2.727 8.140 2.858 1.00 50.21 O ATOM 866 CB PHE A 53 -3.783 7.393 5.727 1.00 12.14 C ATOM 867 CG PHE A 53 -4.107 6.543 6.923 1.00 23.32 C ATOM 868 CD1 PHE A 53 -4.762 5.332 6.770 1.00 21.24 C ATOM 869 CD2 PHE A 53 -3.755 6.954 8.198 1.00 25.04 C ATOM 870 CE1 PHE A 53 -5.063 4.547 7.868 1.00 43.04 C ATOM 871 CE2 PHE A 53 -4.052 6.173 9.300 1.00 32.21 C ATOM 872 CZ PHE A 53 -4.706 4.968 9.134 1.00 24.32 C ATOM 0 H PHE A 53 -1.479 8.400 5.654 1.00 54.31 H new ATOM 0 HA PHE A 53 -2.547 5.768 5.057 1.00 20.15 H new ATOM 0 HB2 PHE A 53 -3.521 8.396 6.064 1.00 12.14 H new ATOM 0 HB3 PHE A 53 -4.674 7.488 5.107 1.00 12.14 H new ATOM 0 HD1 PHE A 53 -5.041 4.997 5.782 1.00 21.24 H new ATOM 0 HD2 PHE A 53 -3.243 7.895 8.333 1.00 25.04 H new ATOM 0 HE1 PHE A 53 -5.576 3.606 7.736 1.00 43.04 H new ATOM 0 HE2 PHE A 53 -3.773 6.505 10.289 1.00 32.21 H new ATOM 0 HZ PHE A 53 -4.938 4.356 9.993 1.00 24.32 H new ATOM 882 N VAL A 54 -3.446 6.012 2.743 1.00 64.24 N ATOM 883 CA VAL A 54 -3.780 6.086 1.325 1.00 62.24 C ATOM 884 C VAL A 54 -4.942 5.159 0.985 1.00 24.20 C ATOM 885 O VAL A 54 -5.152 4.126 1.621 1.00 55.41 O ATOM 886 CB VAL A 54 -2.571 5.721 0.443 1.00 75.11 C ATOM 887 CG1 VAL A 54 -1.330 6.470 0.903 1.00 63.15 C ATOM 888 CG2 VAL A 54 -2.334 4.218 0.460 1.00 74.05 C ATOM 0 H VAL A 54 -3.632 5.106 3.173 1.00 64.24 H new ATOM 0 HA VAL A 54 -4.070 7.117 1.122 1.00 62.24 H new ATOM 0 HB VAL A 54 -2.787 6.020 -0.583 1.00 75.11 H new ATOM 0 HG11 VAL A 54 -0.486 6.200 0.269 1.00 63.15 H new ATOM 0 HG12 VAL A 54 -1.507 7.543 0.834 1.00 63.15 H new ATOM 0 HG13 VAL A 54 -1.107 6.204 1.936 1.00 63.15 H new ATOM 0 HG21 VAL A 54 -1.476 3.978 -0.168 1.00 74.05 H new ATOM 0 HG22 VAL A 54 -2.138 3.892 1.482 1.00 74.05 H new ATOM 0 HG23 VAL A 54 -3.218 3.706 0.079 1.00 74.05 H new ATOM 898 N PRO A 55 -5.716 5.533 -0.045 1.00 52.33 N ATOM 899 CA PRO A 55 -6.869 4.749 -0.495 1.00 32.13 C ATOM 900 C PRO A 55 -6.456 3.437 -1.155 1.00 73.43 C ATOM 901 O PRO A 55 -5.344 3.312 -1.666 1.00 53.51 O ATOM 902 CB PRO A 55 -7.550 5.668 -1.512 1.00 72.14 C ATOM 903 CG PRO A 55 -6.460 6.554 -2.010 1.00 10.24 C ATOM 904 CD PRO A 55 -5.524 6.752 -0.850 1.00 23.12 C ATOM 0 HA PRO A 55 -7.513 4.459 0.335 1.00 32.13 H new ATOM 0 HB2 PRO A 55 -7.998 5.096 -2.325 1.00 72.14 H new ATOM 0 HB3 PRO A 55 -8.350 6.246 -1.050 1.00 72.14 H new ATOM 0 HG2 PRO A 55 -5.943 6.099 -2.855 1.00 10.24 H new ATOM 0 HG3 PRO A 55 -6.860 7.507 -2.356 1.00 10.24 H new ATOM 0 HD2 PRO A 55 -4.491 6.857 -1.181 1.00 23.12 H new ATOM 0 HD3 PRO A 55 -5.770 7.650 -0.284 1.00 23.12 H new ATOM 912 N SER A 56 -7.360 2.462 -1.141 1.00 52.04 N ATOM 913 CA SER A 56 -7.088 1.160 -1.736 1.00 34.34 C ATOM 914 C SER A 56 -7.502 1.135 -3.203 1.00 63.12 C ATOM 915 O SER A 56 -7.786 0.077 -3.763 1.00 2.15 O ATOM 916 CB SER A 56 -7.826 0.061 -0.968 1.00 54.02 C ATOM 917 OG SER A 56 -9.231 0.216 -1.080 1.00 12.31 O ATOM 0 H SER A 56 -8.287 2.550 -0.724 1.00 52.04 H new ATOM 0 HA SER A 56 -6.015 0.979 -1.677 1.00 34.34 H new ATOM 0 HB2 SER A 56 -7.533 -0.916 -1.353 1.00 54.02 H new ATOM 0 HB3 SER A 56 -7.536 0.090 0.082 1.00 54.02 H new ATOM 0 HG SER A 56 -9.680 -0.499 -0.582 1.00 12.31 H new ATOM 923 N ASN A 57 -7.534 2.311 -3.822 1.00 23.52 N ATOM 924 CA ASN A 57 -7.914 2.426 -5.226 1.00 20.11 C ATOM 925 C ASN A 57 -6.679 2.534 -6.116 1.00 23.33 C ATOM 926 O ASN A 57 -6.732 2.228 -7.307 1.00 43.25 O ATOM 927 CB ASN A 57 -8.815 3.645 -5.434 1.00 51.20 C ATOM 928 CG ASN A 57 -9.436 3.676 -6.817 1.00 32.14 C ATOM 929 OD1 ASN A 57 -10.158 2.757 -7.205 1.00 42.42 O ATOM 930 ND2 ASN A 57 -9.159 4.736 -7.567 1.00 22.03 N ATOM 0 H ASN A 57 -7.302 3.197 -3.374 1.00 23.52 H new ATOM 0 HA ASN A 57 -8.463 1.526 -5.503 1.00 20.11 H new ATOM 0 HB2 ASN A 57 -9.606 3.641 -4.684 1.00 51.20 H new ATOM 0 HB3 ASN A 57 -8.233 4.554 -5.279 1.00 51.20 H new ATOM 0 HD21 ASN A 57 -9.550 4.812 -8.506 1.00 22.03 H new ATOM 0 HD22 ASN A 57 -8.555 5.474 -7.204 1.00 22.03 H new ATOM 937 N TYR A 58 -5.570 2.970 -5.530 1.00 31.44 N ATOM 938 CA TYR A 58 -4.323 3.119 -6.269 1.00 40.13 C ATOM 939 C TYR A 58 -3.369 1.967 -5.969 1.00 34.21 C ATOM 940 O TYR A 58 -2.647 1.497 -6.848 1.00 64.42 O ATOM 941 CB TYR A 58 -3.656 4.452 -5.921 1.00 63.21 C ATOM 942 CG TYR A 58 -4.452 5.660 -6.358 1.00 63.14 C ATOM 943 CD1 TYR A 58 -5.627 6.015 -5.707 1.00 54.30 C ATOM 944 CD2 TYR A 58 -4.030 6.447 -7.423 1.00 12.10 C ATOM 945 CE1 TYR A 58 -6.358 7.118 -6.103 1.00 71.23 C ATOM 946 CE2 TYR A 58 -4.754 7.552 -7.825 1.00 65.44 C ATOM 947 CZ TYR A 58 -5.918 7.884 -7.163 1.00 12.50 C ATOM 948 OH TYR A 58 -6.643 8.984 -7.560 1.00 10.20 O ATOM 0 H TYR A 58 -5.509 3.227 -4.545 1.00 31.44 H new ATOM 0 HA TYR A 58 -4.558 3.104 -7.333 1.00 40.13 H new ATOM 0 HB2 TYR A 58 -3.501 4.500 -4.843 1.00 63.21 H new ATOM 0 HB3 TYR A 58 -2.671 4.488 -6.387 1.00 63.21 H new ATOM 0 HD1 TYR A 58 -5.975 5.418 -4.877 1.00 54.30 H new ATOM 0 HD2 TYR A 58 -3.120 6.190 -7.945 1.00 12.10 H new ATOM 0 HE1 TYR A 58 -7.269 7.380 -5.586 1.00 71.23 H new ATOM 0 HE2 TYR A 58 -4.411 8.153 -8.654 1.00 65.44 H new ATOM 0 HH TYR A 58 -6.196 9.414 -8.319 1.00 10.20 H new ATOM 958 N VAL A 59 -3.373 1.515 -4.719 1.00 74.02 N ATOM 959 CA VAL A 59 -2.511 0.417 -4.301 1.00 1.24 C ATOM 960 C VAL A 59 -3.332 -0.802 -3.895 1.00 0.54 C ATOM 961 O VAL A 59 -4.504 -0.684 -3.541 1.00 42.02 O ATOM 962 CB VAL A 59 -1.607 0.828 -3.123 1.00 52.11 C ATOM 963 CG1 VAL A 59 -1.098 2.249 -3.312 1.00 73.53 C ATOM 964 CG2 VAL A 59 -2.356 0.692 -1.806 1.00 1.44 C ATOM 0 H VAL A 59 -3.964 1.893 -3.978 1.00 74.02 H new ATOM 0 HA VAL A 59 -1.886 0.163 -5.157 1.00 1.24 H new ATOM 0 HB VAL A 59 -0.746 0.160 -3.096 1.00 52.11 H new ATOM 0 HG11 VAL A 59 -0.461 2.522 -2.471 1.00 73.53 H new ATOM 0 HG12 VAL A 59 -0.524 2.310 -4.236 1.00 73.53 H new ATOM 0 HG13 VAL A 59 -1.944 2.934 -3.365 1.00 73.53 H new ATOM 0 HG21 VAL A 59 -1.703 0.986 -0.984 1.00 1.44 H new ATOM 0 HG22 VAL A 59 -3.235 1.336 -1.819 1.00 1.44 H new ATOM 0 HG23 VAL A 59 -2.667 -0.344 -1.670 1.00 1.44 H new ATOM 974 N GLU A 60 -2.706 -1.975 -3.949 1.00 41.24 N ATOM 975 CA GLU A 60 -3.380 -3.216 -3.587 1.00 43.33 C ATOM 976 C GLU A 60 -2.370 -4.338 -3.362 1.00 43.44 C ATOM 977 O GLU A 60 -1.279 -4.328 -3.932 1.00 3.22 O ATOM 978 CB GLU A 60 -4.373 -3.620 -4.678 1.00 24.21 C ATOM 979 CG GLU A 60 -5.264 -4.788 -4.289 1.00 72.11 C ATOM 980 CD GLU A 60 -6.417 -4.988 -5.253 1.00 71.20 C ATOM 981 OE1 GLU A 60 -6.156 -5.290 -6.436 1.00 20.11 O ATOM 982 OE2 GLU A 60 -7.582 -4.843 -4.824 1.00 45.14 O ATOM 0 H GLU A 60 -1.735 -2.091 -4.239 1.00 41.24 H new ATOM 0 HA GLU A 60 -3.922 -3.047 -2.657 1.00 43.33 H new ATOM 0 HB2 GLU A 60 -4.999 -2.762 -4.923 1.00 24.21 H new ATOM 0 HB3 GLU A 60 -3.821 -3.880 -5.581 1.00 24.21 H new ATOM 0 HG2 GLU A 60 -4.666 -5.699 -4.249 1.00 72.11 H new ATOM 0 HG3 GLU A 60 -5.658 -4.621 -3.286 1.00 72.11 H new ATOM 990 N ARG A 61 -2.743 -5.303 -2.527 1.00 42.23 N ATOM 991 CA ARG A 61 -1.869 -6.431 -2.226 1.00 54.12 C ATOM 992 C ARG A 61 -1.426 -7.133 -3.506 1.00 0.24 C ATOM 993 O ARG A 61 -2.198 -7.263 -4.455 1.00 3.00 O ATOM 994 CB ARG A 61 -2.583 -7.424 -1.307 1.00 23.52 C ATOM 995 CG ARG A 61 -3.757 -8.128 -1.968 1.00 64.11 C ATOM 996 CD ARG A 61 -4.643 -8.817 -0.941 1.00 23.50 C ATOM 997 NE ARG A 61 -4.153 -10.150 -0.602 1.00 41.21 N ATOM 998 CZ ARG A 61 -4.915 -11.100 -0.070 1.00 52.34 C ATOM 999 NH1 ARG A 61 -6.195 -10.864 0.181 1.00 12.43 N ATOM 1000 NH2 ARG A 61 -4.395 -12.289 0.211 1.00 70.55 N ATOM 0 H ARG A 61 -3.643 -5.326 -2.048 1.00 42.23 H new ATOM 0 HA ARG A 61 -0.984 -6.048 -1.718 1.00 54.12 H new ATOM 0 HB2 ARG A 61 -1.866 -8.172 -0.967 1.00 23.52 H new ATOM 0 HB3 ARG A 61 -2.938 -6.897 -0.422 1.00 23.52 H new ATOM 0 HG2 ARG A 61 -4.346 -7.405 -2.532 1.00 64.11 H new ATOM 0 HG3 ARG A 61 -3.387 -8.863 -2.682 1.00 64.11 H new ATOM 0 HD2 ARG A 61 -4.692 -8.208 -0.038 1.00 23.50 H new ATOM 0 HD3 ARG A 61 -5.658 -8.892 -1.330 1.00 23.50 H new ATOM 0 HE ARG A 61 -3.172 -10.364 -0.783 1.00 41.21 H new ATOM 0 HH11 ARG A 61 -6.597 -9.952 -0.034 1.00 12.43 H new ATOM 0 HH12 ARG A 61 -6.778 -11.595 0.589 1.00 12.43 H new ATOM 0 HH21 ARG A 61 -3.410 -12.473 0.019 1.00 70.55 H new ATOM 0 HH22 ARG A 61 -4.980 -13.018 0.619 1.00 70.55 H new ATOM 1014 N LYS A 62 -0.175 -7.584 -3.525 1.00 34.40 N ATOM 1015 CA LYS A 62 0.372 -8.273 -4.686 1.00 24.12 C ATOM 1016 C LYS A 62 -0.386 -9.568 -4.959 1.00 33.24 C ATOM 1017 O LYS A 62 -1.138 -10.047 -4.110 1.00 5.03 O ATOM 1018 CB LYS A 62 1.857 -8.576 -4.473 1.00 53.34 C ATOM 1019 CG LYS A 62 2.781 -7.714 -5.317 1.00 33.14 C ATOM 1020 CD LYS A 62 4.016 -8.483 -5.754 1.00 73.42 C ATOM 1021 CE LYS A 62 4.372 -8.188 -7.203 1.00 52.12 C ATOM 1022 NZ LYS A 62 5.092 -9.325 -7.839 1.00 0.10 N ATOM 0 H LYS A 62 0.478 -7.484 -2.748 1.00 34.40 H new ATOM 0 HA LYS A 62 0.260 -7.618 -5.550 1.00 24.12 H new ATOM 0 HB2 LYS A 62 2.101 -8.433 -3.420 1.00 53.34 H new ATOM 0 HB3 LYS A 62 2.042 -9.625 -4.703 1.00 53.34 H new ATOM 0 HG2 LYS A 62 2.244 -7.356 -6.196 1.00 33.14 H new ATOM 0 HG3 LYS A 62 3.081 -6.835 -4.747 1.00 33.14 H new ATOM 0 HD2 LYS A 62 4.856 -8.220 -5.111 1.00 73.42 H new ATOM 0 HD3 LYS A 62 3.843 -9.552 -5.631 1.00 73.42 H new ATOM 0 HE2 LYS A 62 3.462 -7.975 -7.764 1.00 52.12 H new ATOM 0 HE3 LYS A 62 4.993 -7.293 -7.250 1.00 52.12 H new ATOM 0 HZ1 LYS A 62 5.317 -9.085 -8.826 1.00 0.10 H new ATOM 0 HZ2 LYS A 62 5.973 -9.513 -7.319 1.00 0.10 H new ATOM 0 HZ3 LYS A 62 4.490 -10.173 -7.818 1.00 0.10 H new ATOM 1036 N ASN A 63 -0.183 -10.129 -6.146 1.00 62.41 N ATOM 1037 CA ASN A 63 -0.848 -11.370 -6.529 1.00 31.13 C ATOM 1038 C ASN A 63 0.167 -12.488 -6.744 1.00 13.55 C ATOM 1039 O ASN A 63 0.071 -13.252 -7.703 1.00 51.33 O ATOM 1040 CB ASN A 63 -1.669 -11.161 -7.803 1.00 42.13 C ATOM 1041 CG ASN A 63 -2.880 -12.072 -7.867 1.00 43.13 C ATOM 1042 OD1 ASN A 63 -4.019 -11.607 -7.906 1.00 54.20 O ATOM 1043 ND2 ASN A 63 -2.638 -13.378 -7.878 1.00 51.45 N ATOM 0 H ASN A 63 0.436 -9.745 -6.860 1.00 62.41 H new ATOM 0 HA ASN A 63 -1.515 -11.660 -5.717 1.00 31.13 H new ATOM 0 HB2 ASN A 63 -1.996 -10.122 -7.855 1.00 42.13 H new ATOM 0 HB3 ASN A 63 -1.037 -11.340 -8.673 1.00 42.13 H new ATOM 0 HD21 ASN A 63 -3.413 -14.040 -7.920 1.00 51.45 H new ATOM 0 HD22 ASN A 63 -1.677 -13.719 -7.844 1.00 51.45 H new ATOM 1050 N SER A 64 1.139 -12.578 -5.841 1.00 74.03 N ATOM 1051 CA SER A 64 2.175 -13.600 -5.932 1.00 43.33 C ATOM 1052 C SER A 64 1.559 -14.995 -5.968 1.00 3.34 C ATOM 1053 O SER A 64 0.920 -15.428 -5.011 1.00 30.54 O ATOM 1054 CB SER A 64 3.140 -13.486 -4.750 1.00 23.10 C ATOM 1055 OG SER A 64 4.003 -14.608 -4.687 1.00 50.52 O ATOM 0 H SER A 64 1.230 -11.955 -5.038 1.00 74.03 H new ATOM 0 HA SER A 64 2.727 -13.441 -6.858 1.00 43.33 H new ATOM 0 HB2 SER A 64 3.730 -12.574 -4.845 1.00 23.10 H new ATOM 0 HB3 SER A 64 2.575 -13.405 -3.821 1.00 23.10 H new ATOM 0 HG SER A 64 4.611 -14.511 -3.924 1.00 50.52 H new ATOM 1061 N ALA A 65 1.758 -15.694 -7.081 1.00 44.13 N ATOM 1062 CA ALA A 65 1.225 -17.042 -7.243 1.00 74.24 C ATOM 1063 C ALA A 65 2.214 -18.087 -6.742 1.00 4.40 C ATOM 1064 O ALA A 65 2.450 -19.099 -7.402 1.00 64.05 O ATOM 1065 CB ALA A 65 0.875 -17.299 -8.701 1.00 61.32 C ATOM 0 H ALA A 65 2.284 -15.349 -7.884 1.00 44.13 H new ATOM 0 HA ALA A 65 0.318 -17.122 -6.644 1.00 74.24 H new ATOM 0 HB1 ALA A 65 0.478 -18.309 -8.807 1.00 61.32 H new ATOM 0 HB2 ALA A 65 0.125 -16.578 -9.028 1.00 61.32 H new ATOM 0 HB3 ALA A 65 1.770 -17.194 -9.314 1.00 61.32 H new ATOM 1071 N ARG A 66 2.792 -17.836 -5.571 1.00 22.21 N ATOM 1072 CA ARG A 66 3.757 -18.756 -4.983 1.00 0.24 C ATOM 1073 C ARG A 66 3.333 -19.164 -3.575 1.00 72.13 C ATOM 1074 O ARG A 66 2.857 -18.339 -2.797 1.00 32.21 O ATOM 1075 CB ARG A 66 5.146 -18.115 -4.942 1.00 63.12 C ATOM 1076 CG ARG A 66 5.900 -18.214 -6.258 1.00 41.33 C ATOM 1077 CD ARG A 66 7.293 -17.613 -6.148 1.00 1.14 C ATOM 1078 NE ARG A 66 7.889 -17.367 -7.458 1.00 44.24 N ATOM 1079 CZ ARG A 66 7.561 -16.339 -8.234 1.00 33.01 C ATOM 1080 NH1 ARG A 66 6.647 -15.467 -7.831 1.00 72.44 N ATOM 1081 NH2 ARG A 66 8.147 -16.182 -9.413 1.00 24.22 N ATOM 0 H ARG A 66 2.608 -17.003 -5.012 1.00 22.21 H new ATOM 0 HA ARG A 66 3.794 -19.650 -5.606 1.00 0.24 H new ATOM 0 HB2 ARG A 66 5.045 -17.065 -4.669 1.00 63.12 H new ATOM 0 HB3 ARG A 66 5.735 -18.593 -4.159 1.00 63.12 H new ATOM 0 HG2 ARG A 66 5.976 -19.259 -6.557 1.00 41.33 H new ATOM 0 HG3 ARG A 66 5.341 -17.699 -7.039 1.00 41.33 H new ATOM 0 HD2 ARG A 66 7.241 -16.677 -5.592 1.00 1.14 H new ATOM 0 HD3 ARG A 66 7.934 -18.286 -5.579 1.00 1.14 H new ATOM 0 HE ARG A 66 8.596 -18.020 -7.796 1.00 44.24 H new ATOM 0 HH11 ARG A 66 6.195 -15.585 -6.924 1.00 72.44 H new ATOM 0 HH12 ARG A 66 6.396 -14.679 -8.428 1.00 72.44 H new ATOM 0 HH21 ARG A 66 8.851 -16.851 -9.726 1.00 24.22 H new ATOM 0 HH22 ARG A 66 7.894 -15.392 -10.007 1.00 24.22 H new ATOM 1095 N ALA A 67 3.509 -20.442 -3.256 1.00 62.12 N ATOM 1096 CA ALA A 67 3.146 -20.959 -1.942 1.00 62.44 C ATOM 1097 C ALA A 67 4.287 -20.780 -0.947 1.00 45.02 C ATOM 1098 O ALA A 67 4.075 -20.804 0.264 1.00 14.10 O ATOM 1099 CB ALA A 67 2.754 -22.426 -2.043 1.00 14.33 C ATOM 0 H ALA A 67 3.901 -21.139 -3.890 1.00 62.12 H new ATOM 0 HA ALA A 67 2.290 -20.390 -1.578 1.00 62.44 H new ATOM 0 HB1 ALA A 67 2.485 -22.800 -1.055 1.00 14.33 H new ATOM 0 HB2 ALA A 67 1.901 -22.529 -2.714 1.00 14.33 H new ATOM 0 HB3 ALA A 67 3.594 -23.001 -2.432 1.00 14.33 H new ATOM 1105 N ALA A 68 5.496 -20.601 -1.467 1.00 4.51 N ATOM 1106 CA ALA A 68 6.671 -20.417 -0.624 1.00 51.43 C ATOM 1107 C ALA A 68 7.104 -18.955 -0.598 1.00 3.42 C ATOM 1108 O ALA A 68 8.287 -18.651 -0.443 1.00 21.42 O ATOM 1109 CB ALA A 68 7.812 -21.299 -1.108 1.00 63.12 C ATOM 0 H ALA A 68 5.688 -20.579 -2.469 1.00 4.51 H new ATOM 0 HA ALA A 68 6.407 -20.709 0.393 1.00 51.43 H new ATOM 0 HB1 ALA A 68 8.683 -21.151 -0.469 1.00 63.12 H new ATOM 0 HB2 ALA A 68 7.506 -22.344 -1.068 1.00 63.12 H new ATOM 0 HB3 ALA A 68 8.066 -21.035 -2.134 1.00 63.12 H new ATOM 1115 N ALA A 69 6.139 -18.054 -0.751 1.00 61.02 N ATOM 1116 CA ALA A 69 6.421 -16.624 -0.743 1.00 71.14 C ATOM 1117 C ALA A 69 7.356 -16.255 0.403 1.00 41.21 C ATOM 1118 O ALA A 69 7.143 -16.660 1.545 1.00 21.04 O ATOM 1119 CB ALA A 69 5.126 -15.831 -0.648 1.00 14.01 C ATOM 0 H ALA A 69 5.155 -18.289 -0.882 1.00 61.02 H new ATOM 0 HA ALA A 69 6.920 -16.372 -1.679 1.00 71.14 H new ATOM 0 HB1 ALA A 69 5.352 -14.765 -0.643 1.00 14.01 H new ATOM 0 HB2 ALA A 69 4.493 -16.064 -1.504 1.00 14.01 H new ATOM 0 HB3 ALA A 69 4.604 -16.096 0.272 1.00 14.01 H new ATOM 1125 N ASN A 70 8.392 -15.483 0.091 1.00 5.40 N ATOM 1126 CA ASN A 70 9.360 -15.060 1.096 1.00 12.40 C ATOM 1127 C ASN A 70 8.659 -14.430 2.296 1.00 43.40 C ATOM 1128 O ASN A 70 7.917 -13.458 2.154 1.00 10.23 O ATOM 1129 CB ASN A 70 10.354 -14.066 0.491 1.00 72.44 C ATOM 1130 CG ASN A 70 10.796 -14.466 -0.903 1.00 0.31 C ATOM 1131 OD1 ASN A 70 10.447 -13.817 -1.888 1.00 75.35 O ATOM 1132 ND2 ASN A 70 11.570 -15.542 -0.992 1.00 34.41 N ATOM 0 H ASN A 70 8.583 -15.138 -0.850 1.00 5.40 H new ATOM 0 HA ASN A 70 9.901 -15.943 1.437 1.00 12.40 H new ATOM 0 HB2 ASN A 70 9.898 -13.077 0.455 1.00 72.44 H new ATOM 0 HB3 ASN A 70 11.228 -13.990 1.138 1.00 72.44 H new ATOM 0 HD21 ASN A 70 11.899 -15.860 -1.904 1.00 34.41 H new ATOM 0 HD22 ASN A 70 11.835 -16.051 -0.149 1.00 34.41 H new ATOM 1139 N SER A 71 8.901 -14.990 3.477 1.00 42.31 N ATOM 1140 CA SER A 71 8.291 -14.485 4.701 1.00 4.13 C ATOM 1141 C SER A 71 9.327 -14.363 5.815 1.00 45.24 C ATOM 1142 O SER A 71 9.450 -15.246 6.662 1.00 11.15 O ATOM 1143 CB SER A 71 7.154 -15.405 5.146 1.00 21.25 C ATOM 1144 OG SER A 71 7.636 -16.704 5.445 1.00 64.30 O ATOM 0 H SER A 71 9.515 -15.793 3.612 1.00 42.31 H new ATOM 0 HA SER A 71 7.887 -13.494 4.494 1.00 4.13 H new ATOM 0 HB2 SER A 71 6.664 -14.984 6.024 1.00 21.25 H new ATOM 0 HB3 SER A 71 6.402 -15.465 4.360 1.00 21.25 H new ATOM 0 HG SER A 71 8.453 -16.634 5.982 1.00 64.30 H new ATOM 1150 N SER A 72 10.071 -13.262 5.804 1.00 44.40 N ATOM 1151 CA SER A 72 11.100 -13.025 6.809 1.00 15.42 C ATOM 1152 C SER A 72 11.304 -11.530 7.038 1.00 61.31 C ATOM 1153 O SER A 72 10.353 -10.800 7.312 1.00 15.41 O ATOM 1154 CB SER A 72 12.419 -13.671 6.383 1.00 4.41 C ATOM 1155 OG SER A 72 12.871 -13.142 5.148 1.00 73.11 O ATOM 0 H SER A 72 9.980 -12.520 5.110 1.00 44.40 H new ATOM 0 HA SER A 72 10.768 -13.476 7.744 1.00 15.42 H new ATOM 0 HB2 SER A 72 13.174 -13.505 7.151 1.00 4.41 H new ATOM 0 HB3 SER A 72 12.287 -14.749 6.294 1.00 4.41 H new ATOM 0 HG SER A 72 13.717 -13.570 4.899 1.00 73.11 H new TER 1161 SER A 72