USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -165:sc= -0.101 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0704) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00649 X(o=-0.0065,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.0176 K(o=-0.018,f=-1.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.448 F(o=-1.6,f=-0.45) USER MOD Single : A 11 MET CE :methyl 165:sc= -0.0442 (180deg=-0.375) USER MOD Single : A 22 THR OG1 : rot -11:sc= 1.06 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.09 K(o=-2.1,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00525 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 36:sc= 0.658 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.62) USER MOD Single : A 62 ASN : amide:sc= -1.55! C(o=-1.5!,f=-7.7!) USER MOD Single : A 76 TYR OH : rot -30:sc= -2.34! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -130:sc= -0.553 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.239 F(o=-2.2!,f=-0.24) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.831 14.617 -3.590 1.00 2.12 N ATOM 2 CA MET A 1 30.750 14.827 -5.061 1.00 54.02 C ATOM 3 C MET A 1 29.291 14.965 -5.519 1.00 5.30 C ATOM 4 O MET A 1 28.458 14.095 -5.251 1.00 52.25 O ATOM 5 CB MET A 1 31.426 13.665 -5.806 1.00 62.22 C ATOM 6 CG MET A 1 32.902 13.480 -5.463 1.00 15.20 C ATOM 7 SD MET A 1 33.705 12.231 -6.492 1.00 73.24 S ATOM 8 CE MET A 1 32.716 10.783 -6.124 1.00 32.52 C ATOM 0 H1 MET A 1 31.826 14.645 -3.290 1.00 2.12 H new ATOM 0 H2 MET A 1 30.301 15.367 -3.103 1.00 2.12 H new ATOM 0 H3 MET A 1 30.423 13.691 -3.348 1.00 2.12 H new ATOM 0 HA MET A 1 31.273 15.754 -5.297 1.00 54.02 H new ATOM 0 HB2 MET A 1 30.893 12.742 -5.578 1.00 62.22 H new ATOM 0 HB3 MET A 1 31.331 13.831 -6.879 1.00 62.22 H new ATOM 0 HG2 MET A 1 33.421 14.431 -5.582 1.00 15.20 H new ATOM 0 HG3 MET A 1 32.994 13.196 -4.415 1.00 15.20 H new ATOM 0 HE1 MET A 1 33.238 9.889 -6.466 1.00 32.52 H new ATOM 0 HE2 MET A 1 32.552 10.718 -5.048 1.00 32.52 H new ATOM 0 HE3 MET A 1 31.756 10.859 -6.634 1.00 32.52 H new ATOM 20 N GLY A 2 28.990 16.059 -6.215 1.00 23.13 N ATOM 21 CA GLY A 2 27.628 16.313 -6.670 1.00 55.03 C ATOM 22 C GLY A 2 26.788 17.057 -5.634 1.00 1.21 C ATOM 23 O GLY A 2 26.418 16.490 -4.600 1.00 11.01 O ATOM 0 H GLY A 2 29.666 16.778 -6.474 1.00 23.13 H new ATOM 0 HA2 GLY A 2 27.660 16.895 -7.591 1.00 55.03 H new ATOM 0 HA3 GLY A 2 27.146 15.365 -6.909 1.00 55.03 H new ATOM 27 N HIS A 3 26.477 18.324 -5.908 1.00 73.00 N ATOM 28 CA HIS A 3 25.682 19.148 -4.983 1.00 1.44 C ATOM 29 C HIS A 3 24.170 18.930 -5.154 1.00 42.02 C ATOM 30 O HIS A 3 23.357 19.642 -4.561 1.00 24.04 O ATOM 31 CB HIS A 3 26.029 20.632 -5.164 1.00 22.22 C ATOM 32 CG HIS A 3 27.375 21.002 -4.615 1.00 63.11 C ATOM 33 ND1 HIS A 3 27.540 21.581 -3.376 1.00 52.23 N ATOM 34 CD2 HIS A 3 28.622 20.877 -5.134 1.00 42.41 C ATOM 35 CE1 HIS A 3 28.819 21.794 -3.154 1.00 2.30 C ATOM 36 NE2 HIS A 3 29.499 21.375 -4.201 1.00 45.23 N ATOM 0 H HIS A 3 26.761 18.806 -6.761 1.00 73.00 H new ATOM 0 HA HIS A 3 25.939 18.835 -3.971 1.00 1.44 H new ATOM 0 HB2 HIS A 3 25.998 20.878 -6.226 1.00 22.22 H new ATOM 0 HB3 HIS A 3 25.266 21.238 -4.674 1.00 22.22 H new ATOM 0 HD2 HIS A 3 28.877 20.464 -6.099 1.00 42.41 H new ATOM 0 HE1 HIS A 3 29.240 22.237 -2.264 1.00 2.30 H new ATOM 0 HE2 HIS A 3 30.513 21.414 -4.303 1.00 45.23 H new ATOM 45 N HIS A 4 23.795 17.948 -5.965 1.00 11.40 N ATOM 46 CA HIS A 4 22.390 17.566 -6.125 1.00 10.12 C ATOM 47 C HIS A 4 22.177 16.101 -5.721 1.00 45.14 C ATOM 48 O HIS A 4 23.135 15.378 -5.437 1.00 42.33 O ATOM 49 CB HIS A 4 21.938 17.785 -7.573 1.00 43.24 C ATOM 50 CG HIS A 4 22.128 19.193 -8.048 1.00 44.44 C ATOM 51 ND1 HIS A 4 21.483 20.269 -7.480 1.00 43.12 N ATOM 52 CD2 HIS A 4 22.903 19.703 -9.034 1.00 65.43 C ATOM 53 CE1 HIS A 4 21.849 21.375 -8.093 1.00 3.11 C ATOM 54 NE2 HIS A 4 22.709 21.062 -9.036 1.00 41.42 N ATOM 0 H HIS A 4 24.445 17.397 -6.526 1.00 11.40 H new ATOM 0 HA HIS A 4 21.789 18.197 -5.470 1.00 10.12 H new ATOM 0 HB2 HIS A 4 22.493 17.111 -8.225 1.00 43.24 H new ATOM 0 HB3 HIS A 4 20.885 17.518 -7.662 1.00 43.24 H new ATOM 0 HD2 HIS A 4 23.551 19.146 -9.694 1.00 65.43 H new ATOM 0 HE1 HIS A 4 21.501 22.371 -7.860 1.00 3.11 H new ATOM 0 HE2 HIS A 4 23.160 21.723 -9.668 1.00 41.42 H new ATOM 63 N HIS A 5 20.924 15.659 -5.699 1.00 65.54 N ATOM 64 CA HIS A 5 20.616 14.283 -5.306 1.00 55.54 C ATOM 65 C HIS A 5 21.025 13.287 -6.403 1.00 73.13 C ATOM 66 O HIS A 5 20.242 12.978 -7.302 1.00 21.41 O ATOM 67 CB HIS A 5 19.124 14.139 -4.977 1.00 60.41 C ATOM 68 CG HIS A 5 18.663 15.080 -3.906 1.00 71.41 C ATOM 69 ND1 HIS A 5 19.113 15.021 -2.605 1.00 13.53 N ATOM 70 CD2 HIS A 5 17.799 16.122 -3.951 1.00 4.51 C ATOM 71 CE1 HIS A 5 18.549 15.981 -1.902 1.00 14.11 C ATOM 72 NE2 HIS A 5 17.749 16.663 -2.693 1.00 11.41 N ATOM 0 H HIS A 5 20.111 16.224 -5.945 1.00 65.54 H new ATOM 0 HA HIS A 5 21.194 14.052 -4.411 1.00 55.54 H new ATOM 0 HB2 HIS A 5 18.541 14.314 -5.881 1.00 60.41 H new ATOM 0 HB3 HIS A 5 18.925 13.115 -4.662 1.00 60.41 H new ATOM 0 HD2 HIS A 5 17.251 16.463 -4.817 1.00 4.51 H new ATOM 0 HE1 HIS A 5 18.715 16.176 -0.853 1.00 14.11 H new ATOM 0 HE2 HIS A 5 17.183 17.465 -2.415 1.00 11.41 H new ATOM 81 N HIS A 6 22.273 12.821 -6.349 1.00 4.53 N ATOM 82 CA HIS A 6 22.754 11.813 -7.298 1.00 72.34 C ATOM 83 C HIS A 6 22.153 10.440 -6.962 1.00 4.03 C ATOM 84 O HIS A 6 21.873 9.638 -7.850 1.00 44.43 O ATOM 85 CB HIS A 6 24.287 11.753 -7.291 1.00 41.52 C ATOM 86 CG HIS A 6 24.865 10.890 -8.376 1.00 50.43 C ATOM 87 ND1 HIS A 6 25.114 11.352 -9.652 1.00 61.02 N ATOM 88 CD2 HIS A 6 25.247 9.590 -8.372 1.00 63.00 C ATOM 89 CE1 HIS A 6 25.617 10.378 -10.382 1.00 1.11 C ATOM 90 NE2 HIS A 6 25.710 9.301 -9.630 1.00 30.41 N ATOM 0 H HIS A 6 22.966 13.122 -5.664 1.00 4.53 H new ATOM 0 HA HIS A 6 22.432 12.095 -8.300 1.00 72.34 H new ATOM 0 HB2 HIS A 6 24.681 12.764 -7.395 1.00 41.52 H new ATOM 0 HB3 HIS A 6 24.622 11.378 -6.324 1.00 41.52 H new ATOM 0 HD2 HIS A 6 25.196 8.909 -7.535 1.00 63.00 H new ATOM 0 HE1 HIS A 6 25.904 10.450 -11.421 1.00 1.11 H new ATOM 0 HE2 HIS A 6 26.069 8.396 -9.935 1.00 30.41 H new ATOM 99 N HIS A 7 21.966 10.179 -5.669 1.00 2.33 N ATOM 100 CA HIS A 7 21.243 8.987 -5.213 1.00 72.30 C ATOM 101 C HIS A 7 19.725 9.185 -5.368 1.00 61.43 C ATOM 102 O HIS A 7 19.238 10.318 -5.382 1.00 32.02 O ATOM 103 CB HIS A 7 21.584 8.677 -3.749 1.00 44.31 C ATOM 104 CG HIS A 7 23.020 8.303 -3.531 1.00 33.33 C ATOM 105 ND1 HIS A 7 23.660 8.447 -2.320 1.00 14.31 N ATOM 106 CD2 HIS A 7 23.942 7.778 -4.377 1.00 24.32 C ATOM 107 CE1 HIS A 7 24.907 8.033 -2.430 1.00 61.33 C ATOM 108 NE2 HIS A 7 25.106 7.623 -3.663 1.00 33.15 N ATOM 0 H HIS A 7 22.305 10.777 -4.915 1.00 2.33 H new ATOM 0 HA HIS A 7 21.552 8.144 -5.831 1.00 72.30 H new ATOM 0 HB2 HIS A 7 21.348 9.548 -3.138 1.00 44.31 H new ATOM 0 HB3 HIS A 7 20.949 7.862 -3.402 1.00 44.31 H new ATOM 0 HD2 HIS A 7 23.790 7.529 -5.417 1.00 24.32 H new ATOM 0 HE1 HIS A 7 25.642 8.031 -1.639 1.00 61.33 H new ATOM 0 HE2 HIS A 7 25.982 7.250 -4.030 1.00 33.15 H new ATOM 117 N HIS A 8 18.979 8.090 -5.492 1.00 11.41 N ATOM 118 CA HIS A 8 17.525 8.178 -5.681 1.00 23.11 C ATOM 119 C HIS A 8 16.804 8.575 -4.379 1.00 12.53 C ATOM 120 O HIS A 8 17.209 8.187 -3.282 1.00 32.10 O ATOM 121 CB HIS A 8 16.956 6.855 -6.224 1.00 51.32 C ATOM 122 CG HIS A 8 17.037 5.703 -5.266 1.00 70.42 C ATOM 123 ND1 HIS A 8 16.164 5.541 -4.210 1.00 0.52 N ATOM 124 CD2 HIS A 8 17.881 4.645 -5.214 1.00 21.33 C ATOM 125 CE1 HIS A 8 16.466 4.439 -3.555 1.00 35.43 C ATOM 126 NE2 HIS A 8 17.502 3.875 -4.141 1.00 20.13 N ATOM 0 H HIS A 8 19.348 7.139 -5.466 1.00 11.41 H new ATOM 0 HA HIS A 8 17.345 8.962 -6.417 1.00 23.11 H new ATOM 0 HB2 HIS A 8 15.913 7.009 -6.500 1.00 51.32 H new ATOM 0 HB3 HIS A 8 17.491 6.591 -7.136 1.00 51.32 H new ATOM 0 HD1 HIS A 8 15.402 6.177 -3.973 1.00 0.52 H new ATOM 0 HD2 HIS A 8 18.699 4.444 -5.890 1.00 21.33 H new ATOM 0 HE1 HIS A 8 15.951 4.061 -2.684 1.00 35.43 H new ATOM 135 N SER A 9 15.724 9.340 -4.513 1.00 63.34 N ATOM 136 CA SER A 9 14.963 9.830 -3.353 1.00 51.15 C ATOM 137 C SER A 9 13.975 8.775 -2.833 1.00 23.40 C ATOM 138 O SER A 9 13.901 7.658 -3.355 1.00 61.34 O ATOM 139 CB SER A 9 14.209 11.117 -3.720 1.00 22.13 C ATOM 140 OG SER A 9 15.105 12.143 -4.120 1.00 1.14 O ATOM 0 H SER A 9 15.350 9.638 -5.414 1.00 63.34 H new ATOM 0 HA SER A 9 15.676 10.041 -2.556 1.00 51.15 H new ATOM 0 HB2 SER A 9 13.505 10.911 -4.526 1.00 22.13 H new ATOM 0 HB3 SER A 9 13.624 11.455 -2.865 1.00 22.13 H new ATOM 0 HG SER A 9 14.598 12.949 -4.349 1.00 1.14 H new ATOM 146 N HIS A 10 13.223 9.134 -1.791 1.00 44.04 N ATOM 147 CA HIS A 10 12.213 8.238 -1.216 1.00 75.44 C ATOM 148 C HIS A 10 10.820 8.463 -1.842 1.00 11.31 C ATOM 149 O HIS A 10 10.186 9.493 -1.618 1.00 4.34 O ATOM 150 CB HIS A 10 12.160 8.398 0.316 1.00 30.23 C ATOM 151 CG HIS A 10 12.025 9.818 0.803 1.00 33.23 C ATOM 152 ND1 HIS A 10 10.974 10.676 0.787 1.00 12.40 N flip ATOM 153 CD2 HIS A 10 13.050 10.496 1.430 1.00 1.02 C flip ATOM 154 CE1 HIS A 10 11.388 11.834 1.393 1.00 62.51 C flip ATOM 155 NE2 HIS A 10 12.640 11.699 1.772 1.00 42.44 N flip ATOM 0 H HIS A 10 13.293 10.039 -1.326 1.00 44.04 H new ATOM 0 HA HIS A 10 12.509 7.215 -1.450 1.00 75.44 H new ATOM 0 HB2 HIS A 10 11.321 7.817 0.698 1.00 30.23 H new ATOM 0 HB3 HIS A 10 13.066 7.968 0.743 1.00 30.23 H new ATOM 0 HD1 HIS A 10 10.049 10.494 0.397 1.00 12.40 H new ATOM 0 HD2 HIS A 10 14.038 10.100 1.612 1.00 1.02 H new ATOM 0 HE1 HIS A 10 10.782 12.717 1.536 1.00 62.51 H new ATOM 164 N MET A 11 10.367 7.500 -2.640 1.00 34.31 N ATOM 165 CA MET A 11 9.036 7.558 -3.264 1.00 32.04 C ATOM 166 C MET A 11 8.668 6.201 -3.883 1.00 74.43 C ATOM 167 O MET A 11 9.185 5.828 -4.939 1.00 72.14 O ATOM 168 CB MET A 11 8.991 8.658 -4.336 1.00 34.33 C ATOM 169 CG MET A 11 7.624 8.835 -4.984 1.00 42.10 C ATOM 170 SD MET A 11 6.317 9.183 -3.787 1.00 13.04 S ATOM 171 CE MET A 11 6.905 10.713 -3.058 1.00 1.12 C ATOM 0 H MET A 11 10.901 6.663 -2.875 1.00 34.31 H new ATOM 0 HA MET A 11 8.307 7.795 -2.489 1.00 32.04 H new ATOM 0 HB2 MET A 11 9.293 9.603 -3.885 1.00 34.33 H new ATOM 0 HB3 MET A 11 9.722 8.426 -5.111 1.00 34.33 H new ATOM 0 HG2 MET A 11 7.673 9.649 -5.707 1.00 42.10 H new ATOM 0 HG3 MET A 11 7.371 7.931 -5.538 1.00 42.10 H new ATOM 0 HE1 MET A 11 6.095 11.187 -2.505 1.00 1.12 H new ATOM 0 HE2 MET A 11 7.731 10.499 -2.380 1.00 1.12 H new ATOM 0 HE3 MET A 11 7.247 11.384 -3.846 1.00 1.12 H new ATOM 181 N VAL A 12 7.782 5.463 -3.214 1.00 53.05 N ATOM 182 CA VAL A 12 7.431 4.097 -3.625 1.00 23.10 C ATOM 183 C VAL A 12 5.908 3.882 -3.671 1.00 21.25 C ATOM 184 O VAL A 12 5.165 4.377 -2.820 1.00 52.31 O ATOM 185 CB VAL A 12 8.069 3.050 -2.670 1.00 4.45 C ATOM 186 CG1 VAL A 12 7.667 1.629 -3.057 1.00 74.22 C ATOM 187 CG2 VAL A 12 9.590 3.190 -2.652 1.00 55.33 C ATOM 0 H VAL A 12 7.291 5.787 -2.381 1.00 53.05 H new ATOM 0 HA VAL A 12 7.827 3.961 -4.631 1.00 23.10 H new ATOM 0 HB VAL A 12 7.692 3.244 -1.666 1.00 4.45 H new ATOM 0 HG11 VAL A 12 8.129 0.920 -2.370 1.00 74.22 H new ATOM 0 HG12 VAL A 12 6.583 1.531 -3.005 1.00 74.22 H new ATOM 0 HG13 VAL A 12 8.001 1.420 -4.073 1.00 74.22 H new ATOM 0 HG21 VAL A 12 10.016 2.447 -1.977 1.00 55.33 H new ATOM 0 HG22 VAL A 12 9.982 3.034 -3.657 1.00 55.33 H new ATOM 0 HG23 VAL A 12 9.859 4.189 -2.309 1.00 55.33 H new ATOM 197 N VAL A 13 5.453 3.133 -4.674 1.00 51.44 N ATOM 198 CA VAL A 13 4.032 2.816 -4.834 1.00 22.03 C ATOM 199 C VAL A 13 3.800 1.295 -4.819 1.00 44.41 C ATOM 200 O VAL A 13 4.650 0.520 -5.263 1.00 2.41 O ATOM 201 CB VAL A 13 3.465 3.405 -6.153 1.00 61.13 C ATOM 202 CG1 VAL A 13 3.617 4.922 -6.177 1.00 74.03 C ATOM 203 CG2 VAL A 13 4.139 2.776 -7.375 1.00 24.01 C ATOM 0 H VAL A 13 6.053 2.731 -5.394 1.00 51.44 H new ATOM 0 HA VAL A 13 3.509 3.268 -3.992 1.00 22.03 H new ATOM 0 HB VAL A 13 2.403 3.165 -6.195 1.00 61.13 H new ATOM 0 HG11 VAL A 13 3.213 5.313 -7.111 1.00 74.03 H new ATOM 0 HG12 VAL A 13 3.074 5.355 -5.337 1.00 74.03 H new ATOM 0 HG13 VAL A 13 4.673 5.183 -6.101 1.00 74.03 H new ATOM 0 HG21 VAL A 13 3.721 3.209 -8.284 1.00 24.01 H new ATOM 0 HG22 VAL A 13 5.211 2.971 -7.340 1.00 24.01 H new ATOM 0 HG23 VAL A 13 3.966 1.700 -7.372 1.00 24.01 H new ATOM 213 N ILE A 14 2.652 0.869 -4.296 1.00 54.30 N ATOM 214 CA ILE A 14 2.302 -0.556 -4.282 1.00 21.43 C ATOM 215 C ILE A 14 1.398 -0.890 -5.492 1.00 33.41 C ATOM 216 O ILE A 14 0.341 -0.274 -5.692 1.00 42.00 O ATOM 217 CB ILE A 14 1.618 -0.951 -2.937 1.00 21.00 C ATOM 218 CG1 ILE A 14 1.673 -2.474 -2.716 1.00 60.11 C ATOM 219 CG2 ILE A 14 0.179 -0.449 -2.863 1.00 3.44 C ATOM 220 CD1 ILE A 14 3.046 -2.985 -2.325 1.00 31.52 C ATOM 0 H ILE A 14 1.951 1.482 -3.879 1.00 54.30 H new ATOM 0 HA ILE A 14 3.217 -1.142 -4.364 1.00 21.43 H new ATOM 0 HB ILE A 14 2.177 -0.466 -2.137 1.00 21.00 H new ATOM 0 HG12 ILE A 14 0.959 -2.745 -1.938 1.00 60.11 H new ATOM 0 HG13 ILE A 14 1.355 -2.976 -3.630 1.00 60.11 H new ATOM 0 HG21 ILE A 14 -0.261 -0.745 -1.911 1.00 3.44 H new ATOM 0 HG22 ILE A 14 0.168 0.638 -2.945 1.00 3.44 H new ATOM 0 HG23 ILE A 14 -0.399 -0.881 -3.680 1.00 3.44 H new ATOM 0 HD11 ILE A 14 3.006 -4.065 -2.187 1.00 31.52 H new ATOM 0 HD12 ILE A 14 3.761 -2.746 -3.112 1.00 31.52 H new ATOM 0 HD13 ILE A 14 3.359 -2.511 -1.395 1.00 31.52 H new ATOM 232 N ARG A 15 1.829 -1.841 -6.323 1.00 42.33 N ATOM 233 CA ARG A 15 1.131 -2.132 -7.585 1.00 53.43 C ATOM 234 C ARG A 15 0.661 -3.587 -7.697 1.00 50.33 C ATOM 235 O ARG A 15 1.029 -4.436 -6.886 1.00 35.14 O ATOM 236 CB ARG A 15 2.015 -1.755 -8.786 1.00 45.30 C ATOM 237 CG ARG A 15 2.156 -0.245 -9.007 1.00 43.11 C ATOM 238 CD ARG A 15 0.836 0.407 -9.434 1.00 5.51 C ATOM 239 NE ARG A 15 -0.212 0.259 -8.421 1.00 70.20 N ATOM 240 CZ ARG A 15 -1.436 -0.131 -8.672 1.00 3.35 C ATOM 241 NH1 ARG A 15 -1.830 -0.337 -9.886 1.00 51.14 N ATOM 242 NH2 ARG A 15 -2.261 -0.325 -7.698 1.00 61.44 N ATOM 0 H ARG A 15 2.651 -2.420 -6.151 1.00 42.33 H new ATOM 0 HA ARG A 15 0.230 -1.518 -7.590 1.00 53.43 H new ATOM 0 HB2 ARG A 15 3.006 -2.185 -8.643 1.00 45.30 H new ATOM 0 HB3 ARG A 15 1.598 -2.206 -9.686 1.00 45.30 H new ATOM 0 HG2 ARG A 15 2.509 0.223 -8.088 1.00 43.11 H new ATOM 0 HG3 ARG A 15 2.913 -0.061 -9.770 1.00 43.11 H new ATOM 0 HD2 ARG A 15 1.003 1.466 -9.628 1.00 5.51 H new ATOM 0 HD3 ARG A 15 0.499 -0.039 -10.370 1.00 5.51 H new ATOM 0 HE ARG A 15 0.029 0.475 -7.454 1.00 70.20 H new ATOM 0 HH11 ARG A 15 -1.184 -0.196 -10.663 1.00 51.14 H new ATOM 0 HH12 ARG A 15 -2.787 -0.641 -10.067 1.00 51.14 H new ATOM 0 HH21 ARG A 15 -1.958 -0.174 -6.736 1.00 61.44 H new ATOM 0 HH22 ARG A 15 -3.215 -0.629 -7.891 1.00 61.44 H new ATOM 256 N ARG A 16 -0.163 -3.843 -8.725 1.00 12.33 N ATOM 257 CA ARG A 16 -0.826 -5.146 -8.934 1.00 0.32 C ATOM 258 C ARG A 16 -1.966 -5.386 -7.921 1.00 11.45 C ATOM 259 O ARG A 16 -2.461 -6.504 -7.788 1.00 15.42 O ATOM 260 CB ARG A 16 0.191 -6.309 -8.897 1.00 24.54 C ATOM 261 CG ARG A 16 0.458 -6.955 -10.255 1.00 3.02 C ATOM 262 CD ARG A 16 -0.823 -7.506 -10.877 1.00 53.03 C ATOM 263 NE ARG A 16 -0.555 -8.332 -12.053 1.00 3.34 N ATOM 264 CZ ARG A 16 -1.355 -8.437 -13.079 1.00 34.44 C ATOM 265 NH1 ARG A 16 -2.441 -7.731 -13.153 1.00 72.42 N ATOM 266 NH2 ARG A 16 -1.056 -9.242 -14.045 1.00 61.23 N ATOM 0 H ARG A 16 -0.391 -3.151 -9.439 1.00 12.33 H new ATOM 0 HA ARG A 16 -1.272 -5.115 -9.928 1.00 0.32 H new ATOM 0 HB2 ARG A 16 1.133 -5.939 -8.492 1.00 24.54 H new ATOM 0 HB3 ARG A 16 -0.173 -7.073 -8.210 1.00 24.54 H new ATOM 0 HG2 ARG A 16 0.903 -6.221 -10.927 1.00 3.02 H new ATOM 0 HG3 ARG A 16 1.183 -7.761 -10.139 1.00 3.02 H new ATOM 0 HD2 ARG A 16 -1.360 -8.097 -10.135 1.00 53.03 H new ATOM 0 HD3 ARG A 16 -1.474 -6.678 -11.157 1.00 53.03 H new ATOM 0 HE ARG A 16 0.316 -8.862 -12.073 1.00 3.34 H new ATOM 0 HH11 ARG A 16 -2.680 -7.083 -12.403 1.00 72.42 H new ATOM 0 HH12 ARG A 16 -3.056 -7.824 -13.961 1.00 72.42 H new ATOM 0 HH21 ARG A 16 -0.198 -9.792 -14.004 1.00 61.23 H new ATOM 0 HH22 ARG A 16 -1.678 -9.327 -14.849 1.00 61.23 H new ATOM 280 N LEU A 17 -2.399 -4.322 -7.243 1.00 55.32 N ATOM 281 CA LEU A 17 -3.489 -4.405 -6.255 1.00 0.34 C ATOM 282 C LEU A 17 -4.880 -4.357 -6.924 1.00 1.24 C ATOM 283 O LEU A 17 -5.273 -3.328 -7.483 1.00 5.33 O ATOM 284 CB LEU A 17 -3.369 -3.257 -5.231 1.00 34.11 C ATOM 285 CG LEU A 17 -2.386 -3.483 -4.069 1.00 33.11 C ATOM 286 CD1 LEU A 17 -2.878 -4.604 -3.156 1.00 13.02 C ATOM 287 CD2 LEU A 17 -0.984 -3.790 -4.586 1.00 13.13 C ATOM 0 H LEU A 17 -2.012 -3.385 -7.357 1.00 55.32 H new ATOM 0 HA LEU A 17 -3.393 -5.365 -5.747 1.00 0.34 H new ATOM 0 HB2 LEU A 17 -3.069 -2.354 -5.763 1.00 34.11 H new ATOM 0 HB3 LEU A 17 -4.357 -3.067 -4.812 1.00 34.11 H new ATOM 0 HG LEU A 17 -2.337 -2.561 -3.489 1.00 33.11 H new ATOM 0 HD11 LEU A 17 -2.168 -4.747 -2.341 1.00 13.02 H new ATOM 0 HD12 LEU A 17 -3.852 -4.338 -2.746 1.00 13.02 H new ATOM 0 HD13 LEU A 17 -2.965 -5.528 -3.728 1.00 13.02 H new ATOM 0 HD21 LEU A 17 -0.311 -3.945 -3.743 1.00 13.13 H new ATOM 0 HD22 LEU A 17 -1.011 -4.691 -5.199 1.00 13.13 H new ATOM 0 HD23 LEU A 17 -0.626 -2.954 -5.187 1.00 13.13 H new ATOM 299 N PRO A 18 -5.640 -5.471 -6.887 1.00 53.31 N ATOM 300 CA PRO A 18 -7.019 -5.512 -7.388 1.00 4.44 C ATOM 301 C PRO A 18 -8.058 -5.109 -6.316 1.00 62.24 C ATOM 302 O PRO A 18 -7.798 -5.231 -5.114 1.00 74.44 O ATOM 303 CB PRO A 18 -7.172 -6.985 -7.777 1.00 3.42 C ATOM 304 CG PRO A 18 -6.336 -7.724 -6.781 1.00 54.24 C ATOM 305 CD PRO A 18 -5.211 -6.791 -6.376 1.00 60.40 C ATOM 0 HA PRO A 18 -7.194 -4.809 -8.203 1.00 4.44 H new ATOM 0 HB2 PRO A 18 -8.214 -7.301 -7.733 1.00 3.42 H new ATOM 0 HB3 PRO A 18 -6.827 -7.164 -8.795 1.00 3.42 H new ATOM 0 HG2 PRO A 18 -6.931 -8.011 -5.914 1.00 54.24 H new ATOM 0 HG3 PRO A 18 -5.940 -8.642 -7.214 1.00 54.24 H new ATOM 0 HD2 PRO A 18 -5.075 -6.775 -5.295 1.00 60.40 H new ATOM 0 HD3 PRO A 18 -4.261 -7.098 -6.812 1.00 60.40 H new ATOM 313 N PRO A 19 -9.246 -4.619 -6.732 1.00 20.11 N ATOM 314 CA PRO A 19 -10.310 -4.222 -5.789 1.00 64.14 C ATOM 315 C PRO A 19 -10.828 -5.399 -4.940 1.00 45.23 C ATOM 316 O PRO A 19 -11.445 -6.333 -5.463 1.00 44.54 O ATOM 317 CB PRO A 19 -11.422 -3.677 -6.707 1.00 34.44 C ATOM 318 CG PRO A 19 -11.142 -4.271 -8.049 1.00 63.22 C ATOM 319 CD PRO A 19 -9.644 -4.401 -8.136 1.00 41.34 C ATOM 0 HA PRO A 19 -9.950 -3.497 -5.059 1.00 64.14 H new ATOM 0 HB2 PRO A 19 -12.409 -3.966 -6.346 1.00 34.44 H new ATOM 0 HB3 PRO A 19 -11.403 -2.588 -6.746 1.00 34.44 H new ATOM 0 HG2 PRO A 19 -11.626 -5.242 -8.155 1.00 63.22 H new ATOM 0 HG3 PRO A 19 -11.526 -3.635 -8.846 1.00 63.22 H new ATOM 0 HD2 PRO A 19 -9.348 -5.234 -8.773 1.00 41.34 H new ATOM 0 HD3 PRO A 19 -9.185 -3.504 -8.551 1.00 41.34 H new ATOM 327 N GLY A 20 -10.570 -5.352 -3.631 1.00 42.41 N ATOM 328 CA GLY A 20 -11.002 -6.427 -2.741 1.00 53.02 C ATOM 329 C GLY A 20 -11.246 -5.970 -1.302 1.00 11.43 C ATOM 330 O GLY A 20 -12.387 -5.843 -0.865 1.00 43.41 O ATOM 0 H GLY A 20 -10.071 -4.591 -3.170 1.00 42.41 H new ATOM 0 HA2 GLY A 20 -11.919 -6.866 -3.134 1.00 53.02 H new ATOM 0 HA3 GLY A 20 -10.247 -7.213 -2.741 1.00 53.02 H new ATOM 334 N LEU A 21 -10.173 -5.718 -0.558 1.00 73.12 N ATOM 335 CA LEU A 21 -10.292 -5.344 0.863 1.00 12.41 C ATOM 336 C LEU A 21 -10.057 -3.838 1.095 1.00 53.22 C ATOM 337 O LEU A 21 -9.284 -3.193 0.385 1.00 62.25 O ATOM 338 CB LEU A 21 -9.334 -6.183 1.738 1.00 1.12 C ATOM 339 CG LEU A 21 -7.829 -5.847 1.663 1.00 5.13 C ATOM 340 CD1 LEU A 21 -7.045 -6.723 2.637 1.00 10.55 C ATOM 341 CD2 LEU A 21 -7.275 -6.001 0.249 1.00 61.14 C ATOM 0 H LEU A 21 -9.215 -5.763 -0.904 1.00 73.12 H new ATOM 0 HA LEU A 21 -11.318 -5.561 1.160 1.00 12.41 H new ATOM 0 HB2 LEU A 21 -9.651 -6.083 2.776 1.00 1.12 H new ATOM 0 HB3 LEU A 21 -9.460 -7.231 1.466 1.00 1.12 H new ATOM 0 HG LEU A 21 -7.714 -4.800 1.944 1.00 5.13 H new ATOM 0 HD11 LEU A 21 -5.985 -6.477 2.575 1.00 10.55 H new ATOM 0 HD12 LEU A 21 -7.400 -6.546 3.652 1.00 10.55 H new ATOM 0 HD13 LEU A 21 -7.190 -7.772 2.380 1.00 10.55 H new ATOM 0 HD21 LEU A 21 -6.213 -5.754 0.245 1.00 61.14 H new ATOM 0 HD22 LEU A 21 -7.409 -7.030 -0.084 1.00 61.14 H new ATOM 0 HD23 LEU A 21 -7.806 -5.329 -0.425 1.00 61.14 H new ATOM 353 N THR A 22 -10.733 -3.297 2.109 1.00 24.40 N ATOM 354 CA THR A 22 -10.653 -1.869 2.457 1.00 74.43 C ATOM 355 C THR A 22 -9.437 -1.577 3.349 1.00 15.00 C ATOM 356 O THR A 22 -8.949 -2.467 4.047 1.00 35.20 O ATOM 357 CB THR A 22 -11.949 -1.415 3.186 1.00 25.22 C ATOM 358 OG1 THR A 22 -13.090 -1.624 2.336 1.00 22.55 O ATOM 359 CG2 THR A 22 -11.893 0.054 3.599 1.00 52.54 C ATOM 0 H THR A 22 -11.353 -3.833 2.716 1.00 24.40 H new ATOM 0 HA THR A 22 -10.543 -1.311 1.527 1.00 74.43 H new ATOM 0 HB THR A 22 -12.037 -2.016 4.091 1.00 25.22 H new ATOM 0 HG1 THR A 22 -12.787 -1.834 1.428 1.00 22.55 H new ATOM 0 HG21 THR A 22 -12.820 0.325 4.104 1.00 52.54 H new ATOM 0 HG22 THR A 22 -11.052 0.210 4.275 1.00 52.54 H new ATOM 0 HG23 THR A 22 -11.767 0.676 2.713 1.00 52.54 H new ATOM 367 N LYS A 23 -8.961 -0.322 3.330 1.00 40.11 N ATOM 368 CA LYS A 23 -7.783 0.104 4.111 1.00 75.21 C ATOM 369 C LYS A 23 -7.768 -0.446 5.550 1.00 62.34 C ATOM 370 O LYS A 23 -6.706 -0.775 6.074 1.00 12.13 O ATOM 371 CB LYS A 23 -7.689 1.633 4.153 1.00 34.34 C ATOM 372 CG LYS A 23 -8.916 2.321 4.750 1.00 64.34 C ATOM 373 CD LYS A 23 -8.607 3.759 5.165 1.00 40.25 C ATOM 374 CE LYS A 23 -8.070 4.593 4.006 1.00 24.24 C ATOM 375 NZ LYS A 23 -7.568 5.912 4.469 1.00 12.30 N ATOM 0 H LYS A 23 -9.378 0.426 2.776 1.00 40.11 H new ATOM 0 HA LYS A 23 -6.918 -0.315 3.597 1.00 75.21 H new ATOM 0 HB2 LYS A 23 -6.810 1.916 4.733 1.00 34.34 H new ATOM 0 HB3 LYS A 23 -7.536 2.004 3.140 1.00 34.34 H new ATOM 0 HG2 LYS A 23 -9.726 2.318 4.021 1.00 64.34 H new ATOM 0 HG3 LYS A 23 -9.264 1.758 5.616 1.00 64.34 H new ATOM 0 HD2 LYS A 23 -9.512 4.224 5.556 1.00 40.25 H new ATOM 0 HD3 LYS A 23 -7.877 3.752 5.974 1.00 40.25 H new ATOM 0 HE2 LYS A 23 -7.266 4.051 3.509 1.00 24.24 H new ATOM 0 HE3 LYS A 23 -8.858 4.742 3.268 1.00 24.24 H new ATOM 0 HZ1 LYS A 23 -7.211 6.452 3.656 1.00 12.30 H new ATOM 0 HZ2 LYS A 23 -8.342 6.439 4.921 1.00 12.30 H new ATOM 0 HZ3 LYS A 23 -6.799 5.770 5.155 1.00 12.30 H new ATOM 389 N GLU A 24 -8.943 -0.552 6.178 1.00 45.21 N ATOM 390 CA GLU A 24 -9.050 -1.055 7.561 1.00 72.51 C ATOM 391 C GLU A 24 -8.258 -2.362 7.750 1.00 75.52 C ATOM 392 O GLU A 24 -7.673 -2.604 8.809 1.00 52.35 O ATOM 393 CB GLU A 24 -10.523 -1.273 7.937 1.00 25.43 C ATOM 394 CG GLU A 24 -11.401 -0.040 7.741 1.00 31.21 C ATOM 395 CD GLU A 24 -12.817 -0.235 8.259 1.00 62.30 C ATOM 396 OE1 GLU A 24 -13.515 -1.149 7.771 1.00 73.31 O ATOM 397 OE2 GLU A 24 -13.239 0.519 9.164 1.00 73.34 O ATOM 0 H GLU A 24 -9.836 -0.298 5.755 1.00 45.21 H new ATOM 0 HA GLU A 24 -8.619 -0.302 8.221 1.00 72.51 H new ATOM 0 HB2 GLU A 24 -10.923 -2.091 7.338 1.00 25.43 H new ATOM 0 HB3 GLU A 24 -10.579 -1.585 8.980 1.00 25.43 H new ATOM 0 HG2 GLU A 24 -10.946 0.809 8.252 1.00 31.21 H new ATOM 0 HG3 GLU A 24 -11.438 0.209 6.680 1.00 31.21 H new ATOM 404 N GLN A 25 -8.257 -3.196 6.711 1.00 62.24 N ATOM 405 CA GLN A 25 -7.410 -4.395 6.661 1.00 41.12 C ATOM 406 C GLN A 25 -6.190 -4.148 5.758 1.00 3.24 C ATOM 407 O GLN A 25 -5.051 -4.339 6.162 1.00 75.03 O ATOM 408 CB GLN A 25 -8.203 -5.589 6.113 1.00 55.21 C ATOM 409 CG GLN A 25 -9.435 -5.956 6.931 1.00 1.43 C ATOM 410 CD GLN A 25 -10.200 -7.121 6.323 1.00 64.41 C ATOM 411 OE1 GLN A 25 -9.919 -8.283 6.604 1.00 53.22 O ATOM 412 NE2 GLN A 25 -11.175 -6.824 5.487 1.00 60.31 N ATOM 0 H GLN A 25 -8.838 -3.064 5.883 1.00 62.24 H new ATOM 0 HA GLN A 25 -7.076 -4.616 7.675 1.00 41.12 H new ATOM 0 HB2 GLN A 25 -8.513 -5.366 5.092 1.00 55.21 H new ATOM 0 HB3 GLN A 25 -7.544 -6.455 6.063 1.00 55.21 H new ATOM 0 HG2 GLN A 25 -9.132 -6.212 7.946 1.00 1.43 H new ATOM 0 HG3 GLN A 25 -10.093 -5.090 7.004 1.00 1.43 H new ATOM 0 HE21 GLN A 25 -11.384 -5.849 5.274 1.00 60.31 H new ATOM 0 HE22 GLN A 25 -11.720 -7.569 5.054 1.00 60.31 H new ATOM 421 N LEU A 26 -6.467 -3.689 4.539 1.00 71.44 N ATOM 422 CA LEU A 26 -5.458 -3.489 3.483 1.00 20.34 C ATOM 423 C LEU A 26 -4.157 -2.807 3.961 1.00 65.02 C ATOM 424 O LEU A 26 -3.066 -3.159 3.510 1.00 11.53 O ATOM 425 CB LEU A 26 -6.093 -2.664 2.356 1.00 74.33 C ATOM 426 CG LEU A 26 -5.131 -2.161 1.266 1.00 24.11 C ATOM 427 CD1 LEU A 26 -4.668 -3.311 0.376 1.00 13.22 C ATOM 428 CD2 LEU A 26 -5.787 -1.060 0.441 1.00 3.34 C ATOM 0 H LEU A 26 -7.412 -3.440 4.246 1.00 71.44 H new ATOM 0 HA LEU A 26 -5.157 -4.479 3.141 1.00 20.34 H new ATOM 0 HB2 LEU A 26 -6.865 -3.269 1.881 1.00 74.33 H new ATOM 0 HB3 LEU A 26 -6.591 -1.802 2.800 1.00 74.33 H new ATOM 0 HG LEU A 26 -4.250 -1.742 1.753 1.00 24.11 H new ATOM 0 HD11 LEU A 26 -3.989 -2.930 -0.387 1.00 13.22 H new ATOM 0 HD12 LEU A 26 -4.152 -4.055 0.982 1.00 13.22 H new ATOM 0 HD13 LEU A 26 -5.532 -3.770 -0.104 1.00 13.22 H new ATOM 0 HD21 LEU A 26 -5.092 -0.716 -0.325 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -6.688 -1.449 -0.034 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -6.051 -0.226 1.092 1.00 3.34 H new ATOM 440 N GLU A 27 -4.256 -1.827 4.853 1.00 1.13 N ATOM 441 CA GLU A 27 -3.070 -1.051 5.241 1.00 73.35 C ATOM 442 C GLU A 27 -2.213 -1.767 6.300 1.00 25.20 C ATOM 443 O GLU A 27 -1.019 -1.492 6.411 1.00 3.43 O ATOM 444 CB GLU A 27 -3.463 0.348 5.741 1.00 44.52 C ATOM 445 CG GLU A 27 -4.108 0.363 7.120 1.00 13.24 C ATOM 446 CD GLU A 27 -4.542 1.759 7.544 1.00 34.35 C ATOM 447 OE1 GLU A 27 -3.697 2.521 8.063 1.00 32.41 O ATOM 448 OE2 GLU A 27 -5.732 2.097 7.368 1.00 72.14 O ATOM 0 H GLU A 27 -5.122 -1.551 5.316 1.00 1.13 H new ATOM 0 HA GLU A 27 -2.463 -0.951 4.341 1.00 73.35 H new ATOM 0 HB2 GLU A 27 -2.573 0.977 5.762 1.00 44.52 H new ATOM 0 HB3 GLU A 27 -4.152 0.796 5.026 1.00 44.52 H new ATOM 0 HG2 GLU A 27 -4.974 -0.299 7.120 1.00 13.24 H new ATOM 0 HG3 GLU A 27 -3.404 -0.033 7.852 1.00 13.24 H new ATOM 455 N GLU A 28 -2.802 -2.703 7.055 1.00 40.34 N ATOM 456 CA GLU A 28 -2.083 -3.363 8.163 1.00 60.34 C ATOM 457 C GLU A 28 -0.804 -4.064 7.670 1.00 42.34 C ATOM 458 O GLU A 28 0.166 -4.217 8.418 1.00 71.45 O ATOM 459 CB GLU A 28 -2.990 -4.374 8.894 1.00 14.31 C ATOM 460 CG GLU A 28 -3.217 -5.685 8.143 1.00 5.24 C ATOM 461 CD GLU A 28 -4.123 -6.650 8.894 1.00 23.21 C ATOM 462 OE1 GLU A 28 -3.655 -7.280 9.867 1.00 12.44 O ATOM 463 OE2 GLU A 28 -5.309 -6.782 8.524 1.00 72.14 O ATOM 0 H GLU A 28 -3.763 -3.021 6.925 1.00 40.34 H new ATOM 0 HA GLU A 28 -1.795 -2.581 8.866 1.00 60.34 H new ATOM 0 HB2 GLU A 28 -2.551 -4.599 9.866 1.00 14.31 H new ATOM 0 HB3 GLU A 28 -3.956 -3.906 9.081 1.00 14.31 H new ATOM 0 HG2 GLU A 28 -3.654 -5.468 7.168 1.00 5.24 H new ATOM 0 HG3 GLU A 28 -2.255 -6.165 7.961 1.00 5.24 H new ATOM 470 N GLN A 29 -0.811 -4.491 6.409 1.00 72.53 N ATOM 471 CA GLN A 29 0.358 -5.137 5.802 1.00 71.22 C ATOM 472 C GLN A 29 1.163 -4.162 4.920 1.00 72.03 C ATOM 473 O GLN A 29 2.355 -4.357 4.707 1.00 33.34 O ATOM 474 CB GLN A 29 -0.058 -6.369 4.969 1.00 42.01 C ATOM 475 CG GLN A 29 -0.940 -6.067 3.751 1.00 50.45 C ATOM 476 CD GLN A 29 -2.425 -6.003 4.068 1.00 5.34 C ATOM 477 OE1 GLN A 29 -2.826 -5.636 5.156 1.00 15.45 O ATOM 478 NE2 GLN A 29 -3.252 -6.366 3.109 1.00 10.51 N ATOM 0 H GLN A 29 -1.613 -4.403 5.784 1.00 72.53 H new ATOM 0 HA GLN A 29 0.998 -5.461 6.623 1.00 71.22 H new ATOM 0 HB2 GLN A 29 0.843 -6.878 4.627 1.00 42.01 H new ATOM 0 HB3 GLN A 29 -0.589 -7.064 5.619 1.00 42.01 H new ATOM 0 HG2 GLN A 29 -0.630 -5.117 3.316 1.00 50.45 H new ATOM 0 HG3 GLN A 29 -0.773 -6.833 2.994 1.00 50.45 H new ATOM 0 HE21 GLN A 29 -2.885 -6.669 2.207 1.00 10.51 H new ATOM 0 HE22 GLN A 29 -4.259 -6.344 3.269 1.00 10.51 H new ATOM 487 N LEU A 30 0.517 -3.109 4.414 1.00 63.33 N ATOM 488 CA LEU A 30 1.182 -2.171 3.494 1.00 74.41 C ATOM 489 C LEU A 30 1.950 -1.056 4.222 1.00 1.52 C ATOM 490 O LEU A 30 2.814 -0.413 3.630 1.00 70.30 O ATOM 491 CB LEU A 30 0.162 -1.546 2.531 1.00 14.34 C ATOM 492 CG LEU A 30 -0.528 -2.525 1.568 1.00 62.41 C ATOM 493 CD1 LEU A 30 -1.441 -1.777 0.598 1.00 40.44 C ATOM 494 CD2 LEU A 30 0.499 -3.366 0.809 1.00 11.31 C ATOM 0 H LEU A 30 -0.456 -2.882 4.620 1.00 63.33 H new ATOM 0 HA LEU A 30 1.912 -2.758 2.936 1.00 74.41 H new ATOM 0 HB2 LEU A 30 -0.605 -1.042 3.119 1.00 14.34 H new ATOM 0 HB3 LEU A 30 0.667 -0.780 1.942 1.00 14.34 H new ATOM 0 HG LEU A 30 -1.142 -3.202 2.161 1.00 62.41 H new ATOM 0 HD11 LEU A 30 -1.919 -2.489 -0.074 1.00 40.44 H new ATOM 0 HD12 LEU A 30 -2.205 -1.239 1.159 1.00 40.44 H new ATOM 0 HD13 LEU A 30 -0.851 -1.069 0.016 1.00 40.44 H new ATOM 0 HD21 LEU A 30 -0.017 -4.050 0.135 1.00 11.31 H new ATOM 0 HD22 LEU A 30 1.151 -2.710 0.232 1.00 11.31 H new ATOM 0 HD23 LEU A 30 1.097 -3.938 1.519 1.00 11.31 H new ATOM 506 N ARG A 31 1.647 -0.816 5.498 1.00 21.12 N ATOM 507 CA ARG A 31 2.332 0.255 6.246 1.00 63.11 C ATOM 508 C ARG A 31 2.834 -0.180 7.646 1.00 21.41 C ATOM 509 O ARG A 31 2.681 0.570 8.612 1.00 34.24 O ATOM 510 CB ARG A 31 1.402 1.471 6.391 1.00 61.40 C ATOM 511 CG ARG A 31 0.054 1.150 7.044 1.00 53.12 C ATOM 512 CD ARG A 31 -0.383 2.231 8.023 1.00 13.14 C ATOM 513 NE ARG A 31 0.529 2.326 9.161 1.00 21.35 N ATOM 514 CZ ARG A 31 0.276 2.978 10.259 1.00 11.31 C ATOM 515 NH1 ARG A 31 -0.854 3.591 10.414 1.00 12.32 N ATOM 516 NH2 ARG A 31 1.153 3.002 11.208 1.00 10.32 N ATOM 0 H ARG A 31 0.948 -1.333 6.032 1.00 21.12 H new ATOM 0 HA ARG A 31 3.217 0.511 5.663 1.00 63.11 H new ATOM 0 HB2 ARG A 31 1.908 2.234 6.982 1.00 61.40 H new ATOM 0 HB3 ARG A 31 1.224 1.899 5.404 1.00 61.40 H new ATOM 0 HG2 ARG A 31 -0.705 1.035 6.270 1.00 53.12 H new ATOM 0 HG3 ARG A 31 0.123 0.196 7.566 1.00 53.12 H new ATOM 0 HD2 ARG A 31 -0.427 3.192 7.510 1.00 13.14 H new ATOM 0 HD3 ARG A 31 -1.390 2.014 8.380 1.00 13.14 H new ATOM 0 HE ARG A 31 1.427 1.848 9.090 1.00 21.35 H new ATOM 0 HH11 ARG A 31 -1.554 3.565 9.673 1.00 12.32 H new ATOM 0 HH12 ARG A 31 -1.044 4.100 11.278 1.00 12.32 H new ATOM 0 HH21 ARG A 31 2.040 2.511 11.095 1.00 10.32 H new ATOM 0 HH22 ARG A 31 0.958 3.512 12.070 1.00 10.32 H new ATOM 530 N PRO A 32 3.494 -1.353 7.786 1.00 25.41 N ATOM 531 CA PRO A 32 4.034 -1.794 9.082 1.00 70.45 C ATOM 532 C PRO A 32 5.411 -1.175 9.391 1.00 4.54 C ATOM 533 O PRO A 32 6.180 -1.701 10.198 1.00 35.31 O ATOM 534 CB PRO A 32 4.147 -3.308 8.893 1.00 22.15 C ATOM 535 CG PRO A 32 4.473 -3.473 7.446 1.00 63.52 C ATOM 536 CD PRO A 32 3.777 -2.341 6.721 1.00 72.51 C ATOM 0 HA PRO A 32 3.407 -1.493 9.921 1.00 70.45 H new ATOM 0 HB2 PRO A 32 4.926 -3.732 9.527 1.00 22.15 H new ATOM 0 HB3 PRO A 32 3.216 -3.812 9.151 1.00 22.15 H new ATOM 0 HG2 PRO A 32 5.550 -3.435 7.283 1.00 63.52 H new ATOM 0 HG3 PRO A 32 4.129 -4.440 7.078 1.00 63.52 H new ATOM 0 HD2 PRO A 32 4.410 -1.917 5.942 1.00 72.51 H new ATOM 0 HD3 PRO A 32 2.861 -2.680 6.238 1.00 72.51 H new ATOM 544 N LEU A 33 5.703 -0.043 8.750 1.00 62.52 N ATOM 545 CA LEU A 33 6.997 0.632 8.886 1.00 2.32 C ATOM 546 C LEU A 33 7.139 1.310 10.264 1.00 33.43 C ATOM 547 O LEU A 33 6.291 2.113 10.661 1.00 3.42 O ATOM 548 CB LEU A 33 7.175 1.676 7.768 1.00 71.21 C ATOM 549 CG LEU A 33 7.385 1.125 6.341 1.00 41.34 C ATOM 550 CD1 LEU A 33 6.173 0.334 5.854 1.00 34.33 C ATOM 551 CD2 LEU A 33 7.704 2.265 5.375 1.00 51.10 C ATOM 0 H LEU A 33 5.053 0.432 8.124 1.00 62.52 H new ATOM 0 HA LEU A 33 7.776 -0.126 8.800 1.00 2.32 H new ATOM 0 HB2 LEU A 33 6.296 2.321 7.759 1.00 71.21 H new ATOM 0 HB3 LEU A 33 8.029 2.305 8.021 1.00 71.21 H new ATOM 0 HG LEU A 33 8.231 0.438 6.373 1.00 41.34 H new ATOM 0 HD11 LEU A 33 6.361 -0.036 4.846 1.00 34.33 H new ATOM 0 HD12 LEU A 33 5.995 -0.508 6.523 1.00 34.33 H new ATOM 0 HD13 LEU A 33 5.296 0.981 5.845 1.00 34.33 H new ATOM 0 HD21 LEU A 33 7.850 1.862 4.373 1.00 51.10 H new ATOM 0 HD22 LEU A 33 6.877 2.975 5.364 1.00 51.10 H new ATOM 0 HD23 LEU A 33 8.613 2.772 5.698 1.00 51.10 H new ATOM 563 N PRO A 34 8.235 1.023 10.995 1.00 43.43 N ATOM 564 CA PRO A 34 8.440 1.528 12.368 1.00 3.25 C ATOM 565 C PRO A 34 8.480 3.067 12.455 1.00 15.50 C ATOM 566 O PRO A 34 9.476 3.697 12.095 1.00 74.44 O ATOM 567 CB PRO A 34 9.797 0.917 12.773 1.00 70.35 C ATOM 568 CG PRO A 34 10.470 0.588 11.479 1.00 54.11 C ATOM 569 CD PRO A 34 9.365 0.188 10.546 1.00 73.55 C ATOM 0 HA PRO A 34 7.616 1.248 13.024 1.00 3.25 H new ATOM 0 HB2 PRO A 34 10.389 1.621 13.359 1.00 70.35 H new ATOM 0 HB3 PRO A 34 9.662 0.026 13.386 1.00 70.35 H new ATOM 0 HG2 PRO A 34 11.019 1.446 11.092 1.00 54.11 H new ATOM 0 HG3 PRO A 34 11.190 -0.221 11.605 1.00 54.11 H new ATOM 0 HD2 PRO A 34 9.624 0.385 9.506 1.00 73.55 H new ATOM 0 HD3 PRO A 34 9.137 -0.875 10.622 1.00 73.55 H new ATOM 577 N ALA A 35 7.375 3.662 12.914 1.00 61.32 N ATOM 578 CA ALA A 35 7.282 5.117 13.120 1.00 35.15 C ATOM 579 C ALA A 35 7.483 5.912 11.818 1.00 22.13 C ATOM 580 O ALA A 35 7.944 7.053 11.839 1.00 51.04 O ATOM 581 CB ALA A 35 8.291 5.558 14.179 1.00 25.12 C ATOM 0 H ALA A 35 6.523 3.155 13.153 1.00 61.32 H new ATOM 0 HA ALA A 35 6.271 5.333 13.466 1.00 35.15 H new ATOM 0 HB1 ALA A 35 8.217 6.635 14.326 1.00 25.12 H new ATOM 0 HB2 ALA A 35 8.079 5.048 15.119 1.00 25.12 H new ATOM 0 HB3 ALA A 35 9.299 5.306 13.849 1.00 25.12 H new ATOM 587 N HIS A 36 7.122 5.314 10.683 1.00 50.00 N ATOM 588 CA HIS A 36 7.261 5.984 9.381 1.00 71.41 C ATOM 589 C HIS A 36 5.905 6.489 8.847 1.00 4.44 C ATOM 590 O HIS A 36 4.877 6.372 9.516 1.00 64.24 O ATOM 591 CB HIS A 36 7.938 5.050 8.367 1.00 42.12 C ATOM 592 CG HIS A 36 9.338 4.666 8.762 1.00 10.10 C ATOM 593 ND1 HIS A 36 10.014 3.581 8.237 1.00 14.32 N ATOM 594 CD2 HIS A 36 10.191 5.237 9.647 1.00 43.43 C ATOM 595 CE1 HIS A 36 11.209 3.504 8.787 1.00 1.54 C ATOM 596 NE2 HIS A 36 11.340 4.492 9.641 1.00 4.21 N ATOM 0 H HIS A 36 6.733 4.372 10.634 1.00 50.00 H new ATOM 0 HA HIS A 36 7.894 6.859 9.525 1.00 71.41 H new ATOM 0 HB2 HIS A 36 7.337 4.147 8.256 1.00 42.12 H new ATOM 0 HB3 HIS A 36 7.963 5.538 7.393 1.00 42.12 H new ATOM 0 HD2 HIS A 36 10.000 6.116 10.245 1.00 43.43 H new ATOM 0 HE1 HIS A 36 11.955 2.754 8.571 1.00 1.54 H new ATOM 0 HE2 HIS A 36 12.166 4.676 10.210 1.00 4.21 H new ATOM 605 N ASP A 37 5.920 7.040 7.632 1.00 33.31 N ATOM 606 CA ASP A 37 4.753 7.725 7.058 1.00 1.15 C ATOM 607 C ASP A 37 3.943 6.791 6.130 1.00 1.12 C ATOM 608 O ASP A 37 4.379 5.683 5.812 1.00 54.31 O ATOM 609 CB ASP A 37 5.259 8.950 6.283 1.00 11.10 C ATOM 610 CG ASP A 37 4.224 10.048 6.141 1.00 63.42 C ATOM 611 OD1 ASP A 37 3.373 9.962 5.240 1.00 24.44 O ATOM 612 OD2 ASP A 37 4.280 11.021 6.919 1.00 10.12 O ATOM 0 H ASP A 37 6.735 7.026 7.019 1.00 33.31 H new ATOM 0 HA ASP A 37 4.081 8.031 7.860 1.00 1.15 H new ATOM 0 HB2 ASP A 37 6.137 9.353 6.789 1.00 11.10 H new ATOM 0 HB3 ASP A 37 5.580 8.634 5.290 1.00 11.10 H new ATOM 617 N TYR A 38 2.766 7.254 5.698 1.00 55.32 N ATOM 618 CA TYR A 38 1.919 6.494 4.768 1.00 64.00 C ATOM 619 C TYR A 38 0.928 7.414 4.034 1.00 4.54 C ATOM 620 O TYR A 38 0.567 8.481 4.535 1.00 24.14 O ATOM 621 CB TYR A 38 1.163 5.366 5.498 1.00 64.12 C ATOM 622 CG TYR A 38 0.168 5.828 6.555 1.00 72.50 C ATOM 623 CD1 TYR A 38 0.568 6.040 7.872 1.00 22.20 C ATOM 624 CD2 TYR A 38 -1.174 6.033 6.239 1.00 54.41 C ATOM 625 CE1 TYR A 38 -0.337 6.443 8.837 1.00 4.53 C ATOM 626 CE2 TYR A 38 -2.083 6.433 7.202 1.00 63.11 C ATOM 627 CZ TYR A 38 -1.660 6.638 8.498 1.00 72.33 C ATOM 628 OH TYR A 38 -2.567 7.029 9.465 1.00 33.40 O ATOM 0 H TYR A 38 2.376 8.154 5.977 1.00 55.32 H new ATOM 0 HA TYR A 38 2.577 6.042 4.026 1.00 64.00 H new ATOM 0 HB2 TYR A 38 0.631 4.769 4.757 1.00 64.12 H new ATOM 0 HB3 TYR A 38 1.893 4.709 5.972 1.00 64.12 H new ATOM 0 HD1 TYR A 38 1.602 5.887 8.144 1.00 22.20 H new ATOM 0 HD2 TYR A 38 -1.510 5.877 5.225 1.00 54.41 H new ATOM 0 HE1 TYR A 38 -0.009 6.605 9.853 1.00 4.53 H new ATOM 0 HE2 TYR A 38 -3.120 6.584 6.940 1.00 63.11 H new ATOM 0 HH TYR A 38 -3.455 7.123 9.061 1.00 33.40 H new ATOM 638 N PHE A 39 0.484 6.995 2.849 1.00 41.51 N ATOM 639 CA PHE A 39 -0.423 7.810 2.030 1.00 10.20 C ATOM 640 C PHE A 39 -1.766 7.091 1.791 1.00 25.01 C ATOM 641 O PHE A 39 -2.110 6.151 2.505 1.00 51.43 O ATOM 642 CB PHE A 39 0.257 8.161 0.691 1.00 35.53 C ATOM 643 CG PHE A 39 0.387 9.648 0.449 1.00 73.22 C ATOM 644 CD1 PHE A 39 1.511 10.341 0.879 1.00 43.51 C ATOM 645 CD2 PHE A 39 -0.614 10.350 -0.207 1.00 13.02 C ATOM 646 CE1 PHE A 39 1.632 11.699 0.660 1.00 1.41 C ATOM 647 CE2 PHE A 39 -0.497 11.709 -0.428 1.00 21.33 C ATOM 648 CZ PHE A 39 0.626 12.385 0.005 1.00 34.41 C ATOM 0 H PHE A 39 0.735 6.098 2.433 1.00 41.51 H new ATOM 0 HA PHE A 39 -0.641 8.731 2.571 1.00 10.20 H new ATOM 0 HB2 PHE A 39 1.249 7.710 0.668 1.00 35.53 H new ATOM 0 HB3 PHE A 39 -0.314 7.717 -0.124 1.00 35.53 H new ATOM 0 HD1 PHE A 39 2.300 9.811 1.391 1.00 43.51 H new ATOM 0 HD2 PHE A 39 -1.495 9.828 -0.549 1.00 13.02 H new ATOM 0 HE1 PHE A 39 2.512 12.225 1.000 1.00 1.41 H new ATOM 0 HE2 PHE A 39 -1.284 12.242 -0.940 1.00 21.33 H new ATOM 0 HZ PHE A 39 0.719 13.447 -0.167 1.00 34.41 H new ATOM 658 N GLU A 40 -2.520 7.548 0.789 1.00 10.02 N ATOM 659 CA GLU A 40 -3.865 7.019 0.514 1.00 35.42 C ATOM 660 C GLU A 40 -3.881 5.505 0.217 1.00 34.22 C ATOM 661 O GLU A 40 -3.100 5.001 -0.596 1.00 44.44 O ATOM 662 CB GLU A 40 -4.507 7.779 -0.659 1.00 5.45 C ATOM 663 CG GLU A 40 -3.682 7.763 -1.946 1.00 23.12 C ATOM 664 CD GLU A 40 -4.449 8.296 -3.151 1.00 52.54 C ATOM 665 OE1 GLU A 40 -4.769 9.505 -3.179 1.00 53.10 O ATOM 666 OE2 GLU A 40 -4.727 7.513 -4.082 1.00 34.43 O ATOM 0 H GLU A 40 -2.224 8.286 0.150 1.00 10.02 H new ATOM 0 HA GLU A 40 -4.442 7.170 1.426 1.00 35.42 H new ATOM 0 HB2 GLU A 40 -5.487 7.347 -0.864 1.00 5.45 H new ATOM 0 HB3 GLU A 40 -4.671 8.814 -0.360 1.00 5.45 H new ATOM 0 HG2 GLU A 40 -2.782 8.361 -1.802 1.00 23.12 H new ATOM 0 HG3 GLU A 40 -3.358 6.743 -2.151 1.00 23.12 H new ATOM 673 N PHE A 41 -4.782 4.796 0.901 1.00 0.22 N ATOM 674 CA PHE A 41 -5.084 3.388 0.611 1.00 32.22 C ATOM 675 C PHE A 41 -6.550 3.256 0.170 1.00 33.20 C ATOM 676 O PHE A 41 -7.447 3.766 0.845 1.00 65.34 O ATOM 677 CB PHE A 41 -4.836 2.512 1.851 1.00 53.40 C ATOM 678 CG PHE A 41 -3.417 2.552 2.365 1.00 74.41 C ATOM 679 CD1 PHE A 41 -2.417 1.817 1.742 1.00 62.23 C ATOM 680 CD2 PHE A 41 -3.082 3.319 3.475 1.00 15.14 C ATOM 681 CE1 PHE A 41 -1.117 1.847 2.211 1.00 1.24 C ATOM 682 CE2 PHE A 41 -1.781 3.350 3.947 1.00 61.13 C ATOM 683 CZ PHE A 41 -0.798 2.614 3.314 1.00 3.14 C ATOM 0 H PHE A 41 -5.325 5.181 1.674 1.00 0.22 H new ATOM 0 HA PHE A 41 -4.427 3.049 -0.190 1.00 32.22 H new ATOM 0 HB2 PHE A 41 -5.508 2.831 2.648 1.00 53.40 H new ATOM 0 HB3 PHE A 41 -5.094 1.481 1.611 1.00 53.40 H new ATOM 0 HD1 PHE A 41 -2.658 1.214 0.879 1.00 62.23 H new ATOM 0 HD2 PHE A 41 -3.845 3.897 3.975 1.00 15.14 H new ATOM 0 HE1 PHE A 41 -0.351 1.270 1.715 1.00 1.24 H new ATOM 0 HE2 PHE A 41 -1.534 3.950 4.811 1.00 61.13 H new ATOM 0 HZ PHE A 41 0.217 2.638 3.681 1.00 3.14 H new ATOM 693 N PHE A 42 -6.794 2.577 -0.953 1.00 34.31 N ATOM 694 CA PHE A 42 -8.155 2.473 -1.505 1.00 23.42 C ATOM 695 C PHE A 42 -9.148 1.833 -0.512 1.00 12.30 C ATOM 696 O PHE A 42 -8.805 0.917 0.241 1.00 52.33 O ATOM 697 CB PHE A 42 -8.154 1.718 -2.846 1.00 43.43 C ATOM 698 CG PHE A 42 -7.589 0.313 -2.803 1.00 23.04 C ATOM 699 CD1 PHE A 42 -8.411 -0.776 -2.537 1.00 42.53 C ATOM 700 CD2 PHE A 42 -6.243 0.082 -3.057 1.00 53.51 C ATOM 701 CE1 PHE A 42 -7.901 -2.062 -2.525 1.00 2.52 C ATOM 702 CE2 PHE A 42 -5.730 -1.202 -3.042 1.00 54.14 C ATOM 703 CZ PHE A 42 -6.560 -2.276 -2.777 1.00 5.10 C ATOM 0 H PHE A 42 -6.078 2.094 -1.496 1.00 34.31 H new ATOM 0 HA PHE A 42 -8.499 3.492 -1.684 1.00 23.42 H new ATOM 0 HB2 PHE A 42 -9.178 1.668 -3.216 1.00 43.43 H new ATOM 0 HB3 PHE A 42 -7.582 2.299 -3.570 1.00 43.43 H new ATOM 0 HD1 PHE A 42 -9.460 -0.616 -2.337 1.00 42.53 H new ATOM 0 HD2 PHE A 42 -5.589 0.915 -3.269 1.00 53.51 H new ATOM 0 HE1 PHE A 42 -8.552 -2.899 -2.319 1.00 2.52 H new ATOM 0 HE2 PHE A 42 -4.681 -1.366 -3.237 1.00 54.14 H new ATOM 0 HZ PHE A 42 -6.161 -3.279 -2.767 1.00 5.10 H new ATOM 713 N ALA A 43 -10.385 2.329 -0.518 1.00 72.54 N ATOM 714 CA ALA A 43 -11.402 1.918 0.462 1.00 12.51 C ATOM 715 C ALA A 43 -12.586 1.177 -0.187 1.00 24.03 C ATOM 716 O ALA A 43 -13.737 1.354 0.221 1.00 74.32 O ATOM 717 CB ALA A 43 -11.895 3.146 1.222 1.00 53.12 C ATOM 0 H ALA A 43 -10.713 3.020 -1.193 1.00 72.54 H new ATOM 0 HA ALA A 43 -10.935 1.214 1.150 1.00 12.51 H new ATOM 0 HB1 ALA A 43 -12.649 2.845 1.949 1.00 53.12 H new ATOM 0 HB2 ALA A 43 -11.058 3.614 1.740 1.00 53.12 H new ATOM 0 HB3 ALA A 43 -12.331 3.857 0.520 1.00 53.12 H new ATOM 723 N ALA A 44 -12.297 0.330 -1.174 1.00 51.35 N ATOM 724 CA ALA A 44 -13.336 -0.461 -1.852 1.00 32.24 C ATOM 725 C ALA A 44 -13.563 -1.815 -1.155 1.00 2.34 C ATOM 726 O ALA A 44 -12.739 -2.254 -0.352 1.00 41.33 O ATOM 727 CB ALA A 44 -12.960 -0.676 -3.316 1.00 64.34 C ATOM 0 H ALA A 44 -11.353 0.170 -1.526 1.00 51.35 H new ATOM 0 HA ALA A 44 -14.270 0.099 -1.799 1.00 32.24 H new ATOM 0 HB1 ALA A 44 -13.736 -1.263 -3.808 1.00 64.34 H new ATOM 0 HB2 ALA A 44 -12.865 0.290 -3.813 1.00 64.34 H new ATOM 0 HB3 ALA A 44 -12.011 -1.209 -3.373 1.00 64.34 H new ATOM 733 N ASP A 45 -14.689 -2.466 -1.458 1.00 60.33 N ATOM 734 CA ASP A 45 -14.992 -3.796 -0.907 1.00 34.45 C ATOM 735 C ASP A 45 -15.039 -4.863 -2.019 1.00 1.23 C ATOM 736 O ASP A 45 -15.204 -4.543 -3.197 1.00 54.01 O ATOM 737 CB ASP A 45 -16.308 -3.768 -0.112 1.00 12.44 C ATOM 738 CG ASP A 45 -17.506 -3.368 -0.954 1.00 63.10 C ATOM 739 OD1 ASP A 45 -17.674 -2.161 -1.228 1.00 15.43 O ATOM 740 OD2 ASP A 45 -18.299 -4.253 -1.332 1.00 74.05 O ATOM 0 H ASP A 45 -15.407 -2.097 -2.081 1.00 60.33 H new ATOM 0 HA ASP A 45 -14.188 -4.068 -0.223 1.00 34.45 H new ATOM 0 HB2 ASP A 45 -16.487 -4.754 0.318 1.00 12.44 H new ATOM 0 HB3 ASP A 45 -16.208 -3.071 0.720 1.00 12.44 H new ATOM 745 N LEU A 46 -14.916 -6.131 -1.628 1.00 23.25 N ATOM 746 CA LEU A 46 -14.737 -7.242 -2.581 1.00 70.02 C ATOM 747 C LEU A 46 -16.016 -7.603 -3.366 1.00 21.14 C ATOM 748 O LEU A 46 -16.080 -8.663 -3.998 1.00 11.13 O ATOM 749 CB LEU A 46 -14.195 -8.489 -1.854 1.00 30.22 C ATOM 750 CG LEU A 46 -15.159 -9.187 -0.868 1.00 3.54 C ATOM 751 CD1 LEU A 46 -14.602 -10.544 -0.455 1.00 52.21 C ATOM 752 CD2 LEU A 46 -15.418 -8.327 0.370 1.00 10.31 C ATOM 0 H LEU A 46 -14.936 -6.423 -0.651 1.00 23.25 H new ATOM 0 HA LEU A 46 -14.013 -6.892 -3.317 1.00 70.02 H new ATOM 0 HB2 LEU A 46 -13.891 -9.217 -2.606 1.00 30.22 H new ATOM 0 HB3 LEU A 46 -13.297 -8.201 -1.307 1.00 30.22 H new ATOM 0 HG LEU A 46 -16.110 -9.330 -1.381 1.00 3.54 H new ATOM 0 HD11 LEU A 46 -15.291 -11.024 0.240 1.00 52.21 H new ATOM 0 HD12 LEU A 46 -14.481 -11.172 -1.338 1.00 52.21 H new ATOM 0 HD13 LEU A 46 -13.635 -10.408 0.029 1.00 52.21 H new ATOM 0 HD21 LEU A 46 -16.100 -8.850 1.040 1.00 10.31 H new ATOM 0 HD22 LEU A 46 -14.476 -8.138 0.885 1.00 10.31 H new ATOM 0 HD23 LEU A 46 -15.863 -7.379 0.068 1.00 10.31 H new ATOM 764 N SER A 47 -17.019 -6.728 -3.351 1.00 24.51 N ATOM 765 CA SER A 47 -18.225 -6.932 -4.164 1.00 13.15 C ATOM 766 C SER A 47 -17.878 -6.933 -5.662 1.00 73.13 C ATOM 767 O SER A 47 -16.856 -6.379 -6.073 1.00 12.13 O ATOM 768 CB SER A 47 -19.263 -5.840 -3.881 1.00 63.54 C ATOM 769 OG SER A 47 -20.441 -6.028 -4.653 1.00 13.40 O ATOM 0 H SER A 47 -17.025 -5.876 -2.791 1.00 24.51 H new ATOM 0 HA SER A 47 -18.646 -7.901 -3.895 1.00 13.15 H new ATOM 0 HB2 SER A 47 -19.517 -5.844 -2.821 1.00 63.54 H new ATOM 0 HB3 SER A 47 -18.834 -4.863 -4.102 1.00 63.54 H new ATOM 0 HG SER A 47 -21.083 -5.317 -4.448 1.00 13.40 H new ATOM 775 N LEU A 48 -18.728 -7.550 -6.479 1.00 51.41 N ATOM 776 CA LEU A 48 -18.470 -7.649 -7.922 1.00 24.22 C ATOM 777 C LEU A 48 -18.562 -6.276 -8.614 1.00 25.31 C ATOM 778 O LEU A 48 -19.588 -5.922 -9.201 1.00 71.31 O ATOM 779 CB LEU A 48 -19.433 -8.655 -8.587 1.00 71.04 C ATOM 780 CG LEU A 48 -19.168 -10.146 -8.279 1.00 23.54 C ATOM 781 CD1 LEU A 48 -19.365 -10.461 -6.797 1.00 51.12 C ATOM 782 CD2 LEU A 48 -20.060 -11.039 -9.137 1.00 62.03 C ATOM 0 H LEU A 48 -19.597 -7.988 -6.174 1.00 51.41 H new ATOM 0 HA LEU A 48 -17.450 -8.013 -8.043 1.00 24.22 H new ATOM 0 HB2 LEU A 48 -20.450 -8.415 -8.277 1.00 71.04 H new ATOM 0 HB3 LEU A 48 -19.387 -8.513 -9.667 1.00 71.04 H new ATOM 0 HG LEU A 48 -18.126 -10.350 -8.525 1.00 23.54 H new ATOM 0 HD11 LEU A 48 -19.169 -11.519 -6.621 1.00 51.12 H new ATOM 0 HD12 LEU A 48 -18.676 -9.861 -6.203 1.00 51.12 H new ATOM 0 HD13 LEU A 48 -20.390 -10.229 -6.509 1.00 51.12 H new ATOM 0 HD21 LEU A 48 -19.858 -12.085 -8.905 1.00 62.03 H new ATOM 0 HD22 LEU A 48 -21.106 -10.816 -8.928 1.00 62.03 H new ATOM 0 HD23 LEU A 48 -19.853 -10.855 -10.191 1.00 62.03 H new ATOM 794 N TYR A 49 -17.487 -5.496 -8.515 1.00 23.21 N ATOM 795 CA TYR A 49 -17.401 -4.196 -9.190 1.00 43.44 C ATOM 796 C TYR A 49 -16.262 -4.195 -10.227 1.00 54.25 C ATOM 797 O TYR A 49 -15.086 -4.334 -9.877 1.00 3.41 O ATOM 798 CB TYR A 49 -17.193 -3.072 -8.164 1.00 11.51 C ATOM 799 CG TYR A 49 -17.213 -1.682 -8.777 1.00 73.43 C ATOM 800 CD1 TYR A 49 -18.415 -1.025 -9.030 1.00 3.34 C ATOM 801 CD2 TYR A 49 -16.031 -1.031 -9.117 1.00 62.50 C ATOM 802 CE1 TYR A 49 -18.434 0.234 -9.600 1.00 61.25 C ATOM 803 CE2 TYR A 49 -16.046 0.228 -9.683 1.00 75.44 C ATOM 804 CZ TYR A 49 -17.250 0.853 -9.923 1.00 25.54 C ATOM 805 OH TYR A 49 -17.264 2.102 -10.497 1.00 22.03 O ATOM 0 H TYR A 49 -16.659 -5.740 -7.972 1.00 23.21 H new ATOM 0 HA TYR A 49 -18.341 -4.019 -9.713 1.00 43.44 H new ATOM 0 HB2 TYR A 49 -17.971 -3.136 -7.403 1.00 11.51 H new ATOM 0 HB3 TYR A 49 -16.239 -3.224 -7.658 1.00 11.51 H new ATOM 0 HD1 TYR A 49 -19.347 -1.507 -8.777 1.00 3.34 H new ATOM 0 HD2 TYR A 49 -15.085 -1.519 -8.935 1.00 62.50 H new ATOM 0 HE1 TYR A 49 -19.375 0.729 -9.791 1.00 61.25 H new ATOM 0 HE2 TYR A 49 -15.119 0.720 -9.936 1.00 75.44 H new ATOM 0 HH TYR A 49 -16.344 2.397 -10.661 1.00 22.03 H new ATOM 815 N PRO A 50 -16.599 -4.052 -11.523 1.00 2.32 N ATOM 816 CA PRO A 50 -15.621 -4.099 -12.614 1.00 40.40 C ATOM 817 C PRO A 50 -15.065 -2.721 -13.029 1.00 3.44 C ATOM 818 O PRO A 50 -15.555 -1.677 -12.596 1.00 14.10 O ATOM 819 CB PRO A 50 -16.465 -4.691 -13.742 1.00 0.41 C ATOM 820 CG PRO A 50 -17.825 -4.097 -13.535 1.00 42.32 C ATOM 821 CD PRO A 50 -17.970 -3.863 -12.043 1.00 70.24 C ATOM 0 HA PRO A 50 -14.727 -4.659 -12.340 1.00 40.40 H new ATOM 0 HB2 PRO A 50 -16.061 -4.430 -14.720 1.00 0.41 H new ATOM 0 HB3 PRO A 50 -16.494 -5.779 -13.689 1.00 0.41 H new ATOM 0 HG2 PRO A 50 -17.928 -3.162 -14.086 1.00 42.32 H new ATOM 0 HG3 PRO A 50 -18.602 -4.769 -13.900 1.00 42.32 H new ATOM 0 HD2 PRO A 50 -18.345 -2.862 -11.829 1.00 70.24 H new ATOM 0 HD3 PRO A 50 -18.669 -4.568 -11.593 1.00 70.24 H new ATOM 829 N HIS A 51 -14.026 -2.743 -13.874 1.00 63.14 N ATOM 830 CA HIS A 51 -13.450 -1.526 -14.479 1.00 64.32 C ATOM 831 C HIS A 51 -12.796 -0.598 -13.437 1.00 4.44 C ATOM 832 O HIS A 51 -12.627 0.597 -13.684 1.00 12.34 O ATOM 833 CB HIS A 51 -14.520 -0.750 -15.267 1.00 30.41 C ATOM 834 CG HIS A 51 -15.217 -1.563 -16.318 1.00 70.05 C ATOM 835 ND1 HIS A 51 -16.587 -1.618 -16.433 1.00 12.33 N ATOM 836 CD2 HIS A 51 -14.729 -2.342 -17.316 1.00 74.31 C ATOM 837 CE1 HIS A 51 -16.914 -2.390 -17.448 1.00 2.25 C ATOM 838 NE2 HIS A 51 -15.807 -2.842 -18.001 1.00 23.21 N ATOM 0 H HIS A 51 -13.558 -3.603 -14.160 1.00 63.14 H new ATOM 0 HA HIS A 51 -12.667 -1.860 -15.159 1.00 64.32 H new ATOM 0 HB2 HIS A 51 -15.263 -0.366 -14.568 1.00 30.41 H new ATOM 0 HB3 HIS A 51 -14.052 0.113 -15.741 1.00 30.41 H new ATOM 0 HD2 HIS A 51 -13.688 -2.532 -17.531 1.00 74.31 H new ATOM 0 HE1 HIS A 51 -17.919 -2.615 -17.772 1.00 2.25 H new ATOM 0 HE2 HIS A 51 -15.759 -3.464 -18.808 1.00 23.21 H new ATOM 847 N LEU A 52 -12.399 -1.148 -12.294 1.00 11.44 N ATOM 848 CA LEU A 52 -11.796 -0.339 -11.224 1.00 63.11 C ATOM 849 C LEU A 52 -10.301 -0.639 -11.044 1.00 11.24 C ATOM 850 O LEU A 52 -9.917 -1.764 -10.716 1.00 23.13 O ATOM 851 CB LEU A 52 -12.534 -0.581 -9.899 1.00 73.14 C ATOM 852 CG LEU A 52 -12.019 0.232 -8.696 1.00 32.20 C ATOM 853 CD1 LEU A 52 -12.133 1.732 -8.962 1.00 71.54 C ATOM 854 CD2 LEU A 52 -12.775 -0.150 -7.426 1.00 42.24 C ATOM 0 H LEU A 52 -12.480 -2.142 -12.079 1.00 11.44 H new ATOM 0 HA LEU A 52 -11.892 0.707 -11.516 1.00 63.11 H new ATOM 0 HB2 LEU A 52 -13.590 -0.353 -10.044 1.00 73.14 H new ATOM 0 HB3 LEU A 52 -12.467 -1.641 -9.654 1.00 73.14 H new ATOM 0 HG LEU A 52 -10.965 -0.006 -8.553 1.00 32.20 H new ATOM 0 HD11 LEU A 52 -11.763 2.284 -8.098 1.00 71.54 H new ATOM 0 HD12 LEU A 52 -11.541 1.992 -9.839 1.00 71.54 H new ATOM 0 HD13 LEU A 52 -13.177 1.992 -9.139 1.00 71.54 H new ATOM 0 HD21 LEU A 52 -12.397 0.435 -6.588 1.00 42.24 H new ATOM 0 HD22 LEU A 52 -13.838 0.053 -7.560 1.00 42.24 H new ATOM 0 HD23 LEU A 52 -12.631 -1.211 -7.222 1.00 42.24 H new ATOM 866 N TYR A 53 -9.460 0.370 -11.266 1.00 3.51 N ATOM 867 CA TYR A 53 -8.024 0.258 -10.987 1.00 13.14 C ATOM 868 C TYR A 53 -7.694 0.836 -9.603 1.00 44.20 C ATOM 869 O TYR A 53 -7.595 2.051 -9.430 1.00 0.11 O ATOM 870 CB TYR A 53 -7.200 0.975 -12.064 1.00 65.35 C ATOM 871 CG TYR A 53 -7.153 0.248 -13.397 1.00 44.21 C ATOM 872 CD1 TYR A 53 -8.119 0.468 -14.374 1.00 24.30 C ATOM 873 CD2 TYR A 53 -6.135 -0.659 -13.677 1.00 71.10 C ATOM 874 CE1 TYR A 53 -8.070 -0.193 -15.587 1.00 12.52 C ATOM 875 CE2 TYR A 53 -6.080 -1.321 -14.889 1.00 42.23 C ATOM 876 CZ TYR A 53 -7.049 -1.086 -15.840 1.00 33.50 C ATOM 877 OH TYR A 53 -6.995 -1.739 -17.052 1.00 32.30 O ATOM 0 H TYR A 53 -9.746 1.276 -11.638 1.00 3.51 H new ATOM 0 HA TYR A 53 -7.763 -0.800 -10.997 1.00 13.14 H new ATOM 0 HB2 TYR A 53 -7.615 1.971 -12.220 1.00 65.35 H new ATOM 0 HB3 TYR A 53 -6.182 1.107 -11.699 1.00 65.35 H new ATOM 0 HD1 TYR A 53 -8.920 1.166 -14.181 1.00 24.30 H new ATOM 0 HD2 TYR A 53 -5.375 -0.849 -12.934 1.00 71.10 H new ATOM 0 HE1 TYR A 53 -8.828 -0.011 -16.334 1.00 12.52 H new ATOM 0 HE2 TYR A 53 -5.281 -2.019 -15.090 1.00 42.23 H new ATOM 0 HH TYR A 53 -6.214 -2.331 -17.070 1.00 32.30 H new ATOM 887 N SER A 54 -7.545 -0.044 -8.620 1.00 5.04 N ATOM 888 CA SER A 54 -7.263 0.368 -7.239 1.00 62.44 C ATOM 889 C SER A 54 -5.754 0.477 -6.970 1.00 33.24 C ATOM 890 O SER A 54 -4.986 -0.440 -7.272 1.00 15.15 O ATOM 891 CB SER A 54 -7.893 -0.632 -6.263 1.00 61.34 C ATOM 892 OG SER A 54 -7.500 -1.967 -6.555 1.00 74.50 O ATOM 0 H SER A 54 -7.614 -1.053 -8.749 1.00 5.04 H new ATOM 0 HA SER A 54 -7.698 1.357 -7.091 1.00 62.44 H new ATOM 0 HB2 SER A 54 -7.600 -0.380 -5.244 1.00 61.34 H new ATOM 0 HB3 SER A 54 -8.979 -0.553 -6.311 1.00 61.34 H new ATOM 0 HG SER A 54 -6.569 -1.974 -6.862 1.00 74.50 H new ATOM 898 N ARG A 55 -5.327 1.595 -6.386 1.00 52.14 N ATOM 899 CA ARG A 55 -3.906 1.810 -6.088 1.00 4.34 C ATOM 900 C ARG A 55 -3.697 2.442 -4.704 1.00 53.50 C ATOM 901 O ARG A 55 -4.599 3.078 -4.156 1.00 23.54 O ATOM 902 CB ARG A 55 -3.234 2.676 -7.175 1.00 71.41 C ATOM 903 CG ARG A 55 -3.724 4.125 -7.254 1.00 14.54 C ATOM 904 CD ARG A 55 -5.116 4.250 -7.870 1.00 12.24 C ATOM 905 NE ARG A 55 -5.158 3.777 -9.256 1.00 51.04 N ATOM 906 CZ ARG A 55 -5.726 4.429 -10.238 1.00 70.20 C ATOM 907 NH1 ARG A 55 -6.244 5.595 -10.042 1.00 75.22 N ATOM 908 NH2 ARG A 55 -5.760 3.910 -11.422 1.00 71.14 N ATOM 0 H ARG A 55 -5.938 2.364 -6.110 1.00 52.14 H new ATOM 0 HA ARG A 55 -3.434 0.827 -6.081 1.00 4.34 H new ATOM 0 HB2 ARG A 55 -2.159 2.683 -6.997 1.00 71.41 H new ATOM 0 HB3 ARG A 55 -3.394 2.203 -8.144 1.00 71.41 H new ATOM 0 HG2 ARG A 55 -3.736 4.554 -6.252 1.00 14.54 H new ATOM 0 HG3 ARG A 55 -3.018 4.710 -7.843 1.00 14.54 H new ATOM 0 HD2 ARG A 55 -5.827 3.680 -7.273 1.00 12.24 H new ATOM 0 HD3 ARG A 55 -5.434 5.292 -7.835 1.00 12.24 H new ATOM 0 HE ARG A 55 -4.716 2.883 -9.469 1.00 51.04 H new ATOM 0 HH11 ARG A 55 -6.213 6.017 -9.114 1.00 75.22 H new ATOM 0 HH12 ARG A 55 -6.684 6.094 -10.815 1.00 75.22 H new ATOM 0 HH21 ARG A 55 -5.344 2.994 -11.589 1.00 71.14 H new ATOM 0 HH22 ARG A 55 -6.202 4.417 -12.189 1.00 71.14 H new ATOM 922 N ALA A 56 -2.506 2.246 -4.140 1.00 71.42 N ATOM 923 CA ALA A 56 -2.148 2.837 -2.845 1.00 33.01 C ATOM 924 C ALA A 56 -0.699 3.352 -2.848 1.00 70.01 C ATOM 925 O ALA A 56 0.170 2.798 -3.529 1.00 74.41 O ATOM 926 CB ALA A 56 -2.355 1.822 -1.727 1.00 33.11 C ATOM 0 H ALA A 56 -1.768 1.681 -4.559 1.00 71.42 H new ATOM 0 HA ALA A 56 -2.803 3.691 -2.670 1.00 33.01 H new ATOM 0 HB1 ALA A 56 -2.086 2.273 -0.772 1.00 33.11 H new ATOM 0 HB2 ALA A 56 -3.401 1.516 -1.702 1.00 33.11 H new ATOM 0 HB3 ALA A 56 -1.726 0.950 -1.906 1.00 33.11 H new ATOM 932 N TYR A 57 -0.446 4.411 -2.085 1.00 54.14 N ATOM 933 CA TYR A 57 0.880 5.051 -2.050 1.00 2.22 C ATOM 934 C TYR A 57 1.536 4.933 -0.664 1.00 4.32 C ATOM 935 O TYR A 57 0.870 5.074 0.363 1.00 33.10 O ATOM 936 CB TYR A 57 0.758 6.530 -2.448 1.00 33.30 C ATOM 937 CG TYR A 57 0.322 6.747 -3.888 1.00 41.32 C ATOM 938 CD1 TYR A 57 -1.005 6.578 -4.273 1.00 30.22 C ATOM 939 CD2 TYR A 57 1.242 7.118 -4.866 1.00 42.43 C ATOM 940 CE1 TYR A 57 -1.400 6.770 -5.583 1.00 62.42 C ATOM 941 CE2 TYR A 57 0.853 7.312 -6.177 1.00 0.24 C ATOM 942 CZ TYR A 57 -0.468 7.135 -6.530 1.00 43.44 C ATOM 943 OH TYR A 57 -0.857 7.325 -7.839 1.00 41.24 O ATOM 0 H TYR A 57 -1.139 4.850 -1.479 1.00 54.14 H new ATOM 0 HA TYR A 57 1.518 4.530 -2.764 1.00 2.22 H new ATOM 0 HB2 TYR A 57 0.043 7.017 -1.785 1.00 33.30 H new ATOM 0 HB3 TYR A 57 1.720 7.018 -2.293 1.00 33.30 H new ATOM 0 HD1 TYR A 57 -1.739 6.292 -3.534 1.00 30.22 H new ATOM 0 HD2 TYR A 57 2.278 7.256 -4.594 1.00 42.43 H new ATOM 0 HE1 TYR A 57 -2.434 6.635 -5.863 1.00 62.42 H new ATOM 0 HE2 TYR A 57 1.580 7.601 -6.922 1.00 0.24 H new ATOM 0 HH TYR A 57 -0.079 7.580 -8.378 1.00 41.24 H new ATOM 953 N ILE A 58 2.847 4.681 -0.642 1.00 13.12 N ATOM 954 CA ILE A 58 3.597 4.552 0.617 1.00 41.11 C ATOM 955 C ILE A 58 4.714 5.608 0.710 1.00 11.23 C ATOM 956 O ILE A 58 5.698 5.565 -0.034 1.00 51.04 O ATOM 957 CB ILE A 58 4.217 3.136 0.763 1.00 35.42 C ATOM 958 CG1 ILE A 58 3.137 2.053 0.597 1.00 31.15 C ATOM 959 CG2 ILE A 58 4.915 2.991 2.120 1.00 4.31 C ATOM 960 CD1 ILE A 58 3.667 0.633 0.662 1.00 65.21 C ATOM 0 H ILE A 58 3.415 4.562 -1.481 1.00 13.12 H new ATOM 0 HA ILE A 58 2.886 4.712 1.428 1.00 41.11 H new ATOM 0 HB ILE A 58 4.960 3.005 -0.023 1.00 35.42 H new ATOM 0 HG12 ILE A 58 2.384 2.184 1.374 1.00 31.15 H new ATOM 0 HG13 ILE A 58 2.636 2.199 -0.360 1.00 31.15 H new ATOM 0 HG21 ILE A 58 5.343 1.992 2.204 1.00 4.31 H new ATOM 0 HG22 ILE A 58 5.708 3.734 2.202 1.00 4.31 H new ATOM 0 HG23 ILE A 58 4.190 3.143 2.920 1.00 4.31 H new ATOM 0 HD11 ILE A 58 2.843 -0.069 0.536 1.00 65.21 H new ATOM 0 HD12 ILE A 58 4.398 0.481 -0.132 1.00 65.21 H new ATOM 0 HD13 ILE A 58 4.142 0.466 1.629 1.00 65.21 H new ATOM 972 N ASN A 59 4.563 6.554 1.635 1.00 31.14 N ATOM 973 CA ASN A 59 5.523 7.651 1.782 1.00 4.22 C ATOM 974 C ASN A 59 6.725 7.242 2.654 1.00 21.40 C ATOM 975 O ASN A 59 6.731 7.441 3.872 1.00 14.42 O ATOM 976 CB ASN A 59 4.825 8.889 2.363 1.00 44.24 C ATOM 977 CG ASN A 59 5.728 10.111 2.420 1.00 65.33 C ATOM 978 OD1 ASN A 59 6.648 10.262 1.624 1.00 33.02 O ATOM 979 ND2 ASN A 59 5.458 11.004 3.349 1.00 55.22 N ATOM 0 H ASN A 59 3.786 6.585 2.295 1.00 31.14 H new ATOM 0 HA ASN A 59 5.909 7.895 0.792 1.00 4.22 H new ATOM 0 HB2 ASN A 59 3.948 9.121 1.759 1.00 44.24 H new ATOM 0 HB3 ASN A 59 4.469 8.660 3.368 1.00 44.24 H new ATOM 0 HD21 ASN A 59 6.022 11.851 3.421 1.00 55.22 H new ATOM 0 HD22 ASN A 59 4.685 10.849 3.996 1.00 55.22 H new ATOM 986 N PHE A 60 7.729 6.642 2.021 1.00 13.14 N ATOM 987 CA PHE A 60 8.970 6.267 2.710 1.00 53.23 C ATOM 988 C PHE A 60 9.760 7.505 3.160 1.00 64.21 C ATOM 989 O PHE A 60 9.884 8.478 2.423 1.00 13.54 O ATOM 990 CB PHE A 60 9.854 5.399 1.800 1.00 60.10 C ATOM 991 CG PHE A 60 9.483 3.938 1.795 1.00 53.32 C ATOM 992 CD1 PHE A 60 8.467 3.462 0.982 1.00 5.14 C ATOM 993 CD2 PHE A 60 10.160 3.038 2.607 1.00 71.24 C ATOM 994 CE1 PHE A 60 8.136 2.117 0.980 1.00 12.34 C ATOM 995 CE2 PHE A 60 9.834 1.697 2.608 1.00 62.22 C ATOM 996 CZ PHE A 60 8.821 1.235 1.794 1.00 22.21 C ATOM 0 H PHE A 60 7.712 6.403 1.030 1.00 13.14 H new ATOM 0 HA PHE A 60 8.689 5.695 3.594 1.00 53.23 H new ATOM 0 HB2 PHE A 60 9.794 5.782 0.781 1.00 60.10 H new ATOM 0 HB3 PHE A 60 10.892 5.498 2.118 1.00 60.10 H new ATOM 0 HD1 PHE A 60 7.928 4.146 0.344 1.00 5.14 H new ATOM 0 HD2 PHE A 60 10.954 3.393 3.248 1.00 71.24 H new ATOM 0 HE1 PHE A 60 7.342 1.757 0.342 1.00 12.34 H new ATOM 0 HE2 PHE A 60 10.371 1.010 3.245 1.00 62.22 H new ATOM 0 HZ PHE A 60 8.564 0.186 1.793 1.00 22.21 H new ATOM 1006 N ARG A 61 10.293 7.456 4.378 1.00 31.23 N ATOM 1007 CA ARG A 61 11.145 8.535 4.897 1.00 70.14 C ATOM 1008 C ARG A 61 12.622 8.290 4.538 1.00 61.51 C ATOM 1009 O ARG A 61 13.379 9.228 4.293 1.00 35.13 O ATOM 1010 CB ARG A 61 10.997 8.628 6.424 1.00 42.31 C ATOM 1011 CG ARG A 61 9.585 8.969 6.897 1.00 2.11 C ATOM 1012 CD ARG A 61 9.201 10.407 6.557 1.00 63.20 C ATOM 1013 NE ARG A 61 7.866 10.750 7.047 1.00 35.23 N ATOM 1014 CZ ARG A 61 7.629 11.349 8.186 1.00 10.42 C ATOM 1015 NH1 ARG A 61 8.599 11.688 8.972 1.00 74.31 N ATOM 1016 NH2 ARG A 61 6.414 11.603 8.547 1.00 73.32 N ATOM 0 H ARG A 61 10.153 6.683 5.028 1.00 31.23 H new ATOM 0 HA ARG A 61 10.826 9.472 4.439 1.00 70.14 H new ATOM 0 HB2 ARG A 61 11.296 7.677 6.865 1.00 42.31 H new ATOM 0 HB3 ARG A 61 11.686 9.384 6.799 1.00 42.31 H new ATOM 0 HG2 ARG A 61 8.873 8.285 6.436 1.00 2.11 H new ATOM 0 HG3 ARG A 61 9.518 8.821 7.975 1.00 2.11 H new ATOM 0 HD2 ARG A 61 9.932 11.089 6.990 1.00 63.20 H new ATOM 0 HD3 ARG A 61 9.237 10.546 5.476 1.00 63.20 H new ATOM 0 HE ARG A 61 7.067 10.506 6.462 1.00 35.23 H new ATOM 0 HH11 ARG A 61 9.564 11.489 8.707 1.00 74.31 H new ATOM 0 HH12 ARG A 61 8.399 12.154 9.857 1.00 74.31 H new ATOM 0 HH21 ARG A 61 5.636 11.336 7.943 1.00 73.32 H new ATOM 0 HH22 ARG A 61 6.233 12.070 9.436 1.00 73.32 H new ATOM 1030 N ASN A 62 13.006 7.016 4.486 1.00 64.31 N ATOM 1031 CA ASN A 62 14.410 6.615 4.345 1.00 2.32 C ATOM 1032 C ASN A 62 14.624 5.699 3.121 1.00 33.42 C ATOM 1033 O ASN A 62 13.959 4.672 2.983 1.00 60.01 O ATOM 1034 CB ASN A 62 14.830 5.906 5.643 1.00 5.15 C ATOM 1035 CG ASN A 62 16.217 5.283 5.595 1.00 3.42 C ATOM 1036 OD1 ASN A 62 17.091 5.714 4.852 1.00 14.15 O ATOM 1037 ND2 ASN A 62 16.427 4.263 6.404 1.00 63.32 N ATOM 0 H ASN A 62 12.356 6.232 4.540 1.00 64.31 H new ATOM 0 HA ASN A 62 15.027 7.498 4.178 1.00 2.32 H new ATOM 0 HB2 ASN A 62 14.795 6.623 6.463 1.00 5.15 H new ATOM 0 HB3 ASN A 62 14.102 5.127 5.870 1.00 5.15 H new ATOM 0 HD21 ASN A 62 17.339 3.808 6.424 1.00 63.32 H new ATOM 0 HD22 ASN A 62 15.677 3.930 7.010 1.00 63.32 H new ATOM 1044 N PRO A 63 15.562 6.054 2.212 1.00 1.20 N ATOM 1045 CA PRO A 63 15.886 5.220 1.037 1.00 20.53 C ATOM 1046 C PRO A 63 16.445 3.840 1.430 1.00 63.42 C ATOM 1047 O PRO A 63 16.246 2.849 0.724 1.00 74.53 O ATOM 1048 CB PRO A 63 16.943 6.047 0.283 1.00 72.51 C ATOM 1049 CG PRO A 63 17.497 6.988 1.301 1.00 63.43 C ATOM 1050 CD PRO A 63 16.367 7.290 2.246 1.00 64.10 C ATOM 0 HA PRO A 63 15.001 5.001 0.439 1.00 20.53 H new ATOM 0 HB2 PRO A 63 17.724 5.408 -0.129 1.00 72.51 H new ATOM 0 HB3 PRO A 63 16.499 6.587 -0.553 1.00 72.51 H new ATOM 0 HG2 PRO A 63 18.338 6.540 1.830 1.00 63.43 H new ATOM 0 HG3 PRO A 63 17.866 7.899 0.830 1.00 63.43 H new ATOM 0 HD2 PRO A 63 16.729 7.507 3.251 1.00 64.10 H new ATOM 0 HD3 PRO A 63 15.790 8.156 1.921 1.00 64.10 H new ATOM 1058 N ASP A 64 17.141 3.786 2.565 1.00 74.20 N ATOM 1059 CA ASP A 64 17.656 2.524 3.102 1.00 32.13 C ATOM 1060 C ASP A 64 16.503 1.655 3.644 1.00 1.14 C ATOM 1061 O ASP A 64 16.578 0.428 3.652 1.00 45.30 O ATOM 1062 CB ASP A 64 18.691 2.825 4.198 1.00 22.13 C ATOM 1063 CG ASP A 64 19.294 1.577 4.820 1.00 42.51 C ATOM 1064 OD1 ASP A 64 18.745 1.081 5.826 1.00 54.43 O ATOM 1065 OD2 ASP A 64 20.337 1.103 4.321 1.00 74.52 O ATOM 0 H ASP A 64 17.362 4.604 3.133 1.00 74.20 H new ATOM 0 HA ASP A 64 18.142 1.961 2.306 1.00 32.13 H new ATOM 0 HB2 ASP A 64 19.490 3.433 3.775 1.00 22.13 H new ATOM 0 HB3 ASP A 64 18.218 3.419 4.980 1.00 22.13 H new ATOM 1070 N ASP A 65 15.424 2.306 4.076 1.00 64.53 N ATOM 1071 CA ASP A 65 14.227 1.605 4.554 1.00 70.10 C ATOM 1072 C ASP A 65 13.496 0.921 3.382 1.00 63.42 C ATOM 1073 O ASP A 65 12.856 -0.122 3.547 1.00 62.14 O ATOM 1074 CB ASP A 65 13.303 2.603 5.270 1.00 4.42 C ATOM 1075 CG ASP A 65 12.216 1.934 6.091 1.00 31.12 C ATOM 1076 OD1 ASP A 65 12.560 1.121 6.974 1.00 74.13 O ATOM 1077 OD2 ASP A 65 11.023 2.262 5.899 1.00 24.41 O ATOM 0 H ASP A 65 15.352 3.323 4.106 1.00 64.53 H new ATOM 0 HA ASP A 65 14.522 0.828 5.259 1.00 70.10 H new ATOM 0 HB2 ASP A 65 13.902 3.238 5.922 1.00 4.42 H new ATOM 0 HB3 ASP A 65 12.840 3.254 4.529 1.00 4.42 H new ATOM 1082 N ILE A 66 13.626 1.510 2.189 1.00 72.03 N ATOM 1083 CA ILE A 66 13.039 0.946 0.966 1.00 63.34 C ATOM 1084 C ILE A 66 13.599 -0.456 0.666 1.00 53.11 C ATOM 1085 O ILE A 66 12.843 -1.419 0.538 1.00 24.44 O ATOM 1086 CB ILE A 66 13.292 1.862 -0.261 1.00 1.50 C ATOM 1087 CG1 ILE A 66 12.721 3.269 -0.013 1.00 21.43 C ATOM 1088 CG2 ILE A 66 12.686 1.247 -1.526 1.00 31.24 C ATOM 1089 CD1 ILE A 66 12.979 4.247 -1.143 1.00 10.21 C ATOM 0 H ILE A 66 14.135 2.382 2.043 1.00 72.03 H new ATOM 0 HA ILE A 66 11.966 0.873 1.143 1.00 63.34 H new ATOM 0 HB ILE A 66 14.369 1.951 -0.407 1.00 1.50 H new ATOM 0 HG12 ILE A 66 11.646 3.191 0.148 1.00 21.43 H new ATOM 0 HG13 ILE A 66 13.152 3.668 0.905 1.00 21.43 H new ATOM 0 HG21 ILE A 66 12.874 1.904 -2.376 1.00 31.24 H new ATOM 0 HG22 ILE A 66 13.141 0.274 -1.712 1.00 31.24 H new ATOM 0 HG23 ILE A 66 11.611 1.125 -1.392 1.00 31.24 H new ATOM 0 HD11 ILE A 66 12.546 5.215 -0.892 1.00 10.21 H new ATOM 0 HD12 ILE A 66 14.053 4.357 -1.290 1.00 10.21 H new ATOM 0 HD13 ILE A 66 12.524 3.872 -2.060 1.00 10.21 H new ATOM 1101 N LEU A 67 14.925 -0.570 0.563 1.00 33.22 N ATOM 1102 CA LEU A 67 15.567 -1.864 0.285 1.00 25.22 C ATOM 1103 C LEU A 67 15.370 -2.860 1.440 1.00 42.41 C ATOM 1104 O LEU A 67 15.554 -4.069 1.275 1.00 61.12 O ATOM 1105 CB LEU A 67 17.063 -1.673 -0.048 1.00 41.13 C ATOM 1106 CG LEU A 67 17.914 -0.888 0.978 1.00 43.44 C ATOM 1107 CD1 LEU A 67 18.264 -1.744 2.196 1.00 52.41 C ATOM 1108 CD2 LEU A 67 19.184 -0.345 0.321 1.00 21.43 C ATOM 0 H LEU A 67 15.574 0.210 0.666 1.00 33.22 H new ATOM 0 HA LEU A 67 15.079 -2.294 -0.590 1.00 25.22 H new ATOM 0 HB2 LEU A 67 17.510 -2.659 -0.176 1.00 41.13 H new ATOM 0 HB3 LEU A 67 17.134 -1.163 -1.009 1.00 41.13 H new ATOM 0 HG LEU A 67 17.314 -0.048 1.328 1.00 43.44 H new ATOM 0 HD11 LEU A 67 18.862 -1.157 2.893 1.00 52.41 H new ATOM 0 HD12 LEU A 67 17.347 -2.069 2.688 1.00 52.41 H new ATOM 0 HD13 LEU A 67 18.833 -2.617 1.876 1.00 52.41 H new ATOM 0 HD21 LEU A 67 19.769 0.204 1.059 1.00 21.43 H new ATOM 0 HD22 LEU A 67 19.776 -1.174 -0.067 1.00 21.43 H new ATOM 0 HD23 LEU A 67 18.914 0.322 -0.497 1.00 21.43 H new ATOM 1120 N LEU A 68 14.997 -2.343 2.610 1.00 42.53 N ATOM 1121 CA LEU A 68 14.670 -3.182 3.764 1.00 72.33 C ATOM 1122 C LEU A 68 13.291 -3.843 3.596 1.00 53.33 C ATOM 1123 O LEU A 68 13.177 -5.069 3.522 1.00 11.24 O ATOM 1124 CB LEU A 68 14.699 -2.343 5.052 1.00 14.31 C ATOM 1125 CG LEU A 68 14.125 -3.028 6.307 1.00 3.22 C ATOM 1126 CD1 LEU A 68 14.889 -4.309 6.635 1.00 22.34 C ATOM 1127 CD2 LEU A 68 14.134 -2.069 7.495 1.00 63.23 C ATOM 0 H LEU A 68 14.913 -1.342 2.785 1.00 42.53 H new ATOM 0 HA LEU A 68 15.419 -3.971 3.832 1.00 72.33 H new ATOM 0 HB2 LEU A 68 15.731 -2.059 5.256 1.00 14.31 H new ATOM 0 HB3 LEU A 68 14.143 -1.422 4.877 1.00 14.31 H new ATOM 0 HG LEU A 68 13.091 -3.303 6.097 1.00 3.22 H new ATOM 0 HD11 LEU A 68 14.461 -4.770 7.525 1.00 22.34 H new ATOM 0 HD12 LEU A 68 14.815 -5.002 5.797 1.00 22.34 H new ATOM 0 HD13 LEU A 68 15.937 -4.071 6.818 1.00 22.34 H new ATOM 0 HD21 LEU A 68 13.725 -2.572 8.371 1.00 63.23 H new ATOM 0 HD22 LEU A 68 15.157 -1.755 7.701 1.00 63.23 H new ATOM 0 HD23 LEU A 68 13.526 -1.195 7.261 1.00 63.23 H new ATOM 1139 N PHE A 69 12.247 -3.021 3.523 1.00 51.43 N ATOM 1140 CA PHE A 69 10.871 -3.517 3.438 1.00 74.03 C ATOM 1141 C PHE A 69 10.525 -4.110 2.061 1.00 41.41 C ATOM 1142 O PHE A 69 9.697 -5.019 1.972 1.00 70.34 O ATOM 1143 CB PHE A 69 9.883 -2.404 3.818 1.00 61.25 C ATOM 1144 CG PHE A 69 9.607 -2.338 5.300 1.00 53.32 C ATOM 1145 CD1 PHE A 69 10.404 -1.577 6.147 1.00 2.32 C ATOM 1146 CD2 PHE A 69 8.551 -3.055 5.847 1.00 23.11 C ATOM 1147 CE1 PHE A 69 10.150 -1.537 7.505 1.00 33.20 C ATOM 1148 CE2 PHE A 69 8.295 -3.014 7.203 1.00 21.34 C ATOM 1149 CZ PHE A 69 9.094 -2.255 8.032 1.00 41.44 C ATOM 0 H PHE A 69 12.326 -2.004 3.521 1.00 51.43 H new ATOM 0 HA PHE A 69 10.785 -4.337 4.151 1.00 74.03 H new ATOM 0 HB2 PHE A 69 10.280 -1.445 3.485 1.00 61.25 H new ATOM 0 HB3 PHE A 69 8.945 -2.562 3.286 1.00 61.25 H new ATOM 0 HD1 PHE A 69 11.229 -1.012 5.740 1.00 2.32 H new ATOM 0 HD2 PHE A 69 7.922 -3.652 5.203 1.00 23.11 H new ATOM 0 HE1 PHE A 69 10.777 -0.944 8.154 1.00 33.20 H new ATOM 0 HE2 PHE A 69 7.470 -3.576 7.614 1.00 21.34 H new ATOM 0 HZ PHE A 69 8.894 -2.222 9.093 1.00 41.44 H new ATOM 1159 N ARG A 70 11.153 -3.617 0.993 1.00 2.24 N ATOM 1160 CA ARG A 70 10.869 -4.136 -0.354 1.00 12.45 C ATOM 1161 C ARG A 70 11.171 -5.641 -0.446 1.00 4.55 C ATOM 1162 O ARG A 70 10.338 -6.417 -0.898 1.00 42.24 O ATOM 1163 CB ARG A 70 11.672 -3.396 -1.434 1.00 61.45 C ATOM 1164 CG ARG A 70 11.235 -3.755 -2.855 1.00 25.40 C ATOM 1165 CD ARG A 70 12.208 -3.252 -3.917 1.00 33.21 C ATOM 1166 NE ARG A 70 12.454 -1.811 -3.840 1.00 62.43 N ATOM 1167 CZ ARG A 70 12.121 -0.958 -4.772 1.00 64.43 C ATOM 1168 NH1 ARG A 70 11.390 -1.332 -5.773 1.00 10.41 N ATOM 1169 NH2 ARG A 70 12.503 0.275 -4.677 1.00 0.45 N ATOM 0 H ARG A 70 11.850 -2.873 1.027 1.00 2.24 H new ATOM 0 HA ARG A 70 9.807 -3.968 -0.532 1.00 12.45 H new ATOM 0 HB2 ARG A 70 11.564 -2.321 -1.287 1.00 61.45 H new ATOM 0 HB3 ARG A 70 12.730 -3.629 -1.316 1.00 61.45 H new ATOM 0 HG2 ARG A 70 11.141 -4.838 -2.939 1.00 25.40 H new ATOM 0 HG3 ARG A 70 10.248 -3.333 -3.044 1.00 25.40 H new ATOM 0 HD2 ARG A 70 13.155 -3.781 -3.812 1.00 33.21 H new ATOM 0 HD3 ARG A 70 11.815 -3.494 -4.904 1.00 33.21 H new ATOM 0 HE ARG A 70 12.915 -1.450 -3.005 1.00 62.43 H new ATOM 0 HH11 ARG A 70 11.070 -2.298 -5.838 1.00 10.41 H new ATOM 0 HH12 ARG A 70 11.134 -0.660 -6.497 1.00 10.41 H new ATOM 0 HH21 ARG A 70 13.061 0.576 -3.878 1.00 0.45 H new ATOM 0 HH22 ARG A 70 12.246 0.946 -5.401 1.00 0.45 H new ATOM 1183 N ASP A 71 12.362 -6.038 0.003 1.00 2.32 N ATOM 1184 CA ASP A 71 12.806 -7.440 -0.080 1.00 34.25 C ATOM 1185 C ASP A 71 11.775 -8.416 0.520 1.00 4.31 C ATOM 1186 O ASP A 71 11.390 -9.400 -0.118 1.00 15.10 O ATOM 1187 CB ASP A 71 14.159 -7.601 0.629 1.00 44.43 C ATOM 1188 CG ASP A 71 14.686 -9.024 0.546 1.00 14.42 C ATOM 1189 OD1 ASP A 71 15.294 -9.379 -0.486 1.00 72.22 O ATOM 1190 OD2 ASP A 71 14.487 -9.801 1.505 1.00 41.32 O ATOM 0 H ASP A 71 13.043 -5.410 0.430 1.00 2.32 H new ATOM 0 HA ASP A 71 12.910 -7.689 -1.136 1.00 34.25 H new ATOM 0 HB2 ASP A 71 14.884 -6.920 0.183 1.00 44.43 H new ATOM 0 HB3 ASP A 71 14.055 -7.315 1.676 1.00 44.43 H new ATOM 1195 N ARG A 72 11.334 -8.133 1.741 1.00 11.41 N ATOM 1196 CA ARG A 72 10.380 -8.998 2.453 1.00 5.31 C ATOM 1197 C ARG A 72 8.954 -8.918 1.869 1.00 54.42 C ATOM 1198 O ARG A 72 8.170 -9.860 2.000 1.00 15.12 O ATOM 1199 CB ARG A 72 10.368 -8.633 3.948 1.00 0.42 C ATOM 1200 CG ARG A 72 10.264 -7.135 4.215 1.00 54.11 C ATOM 1201 CD ARG A 72 10.302 -6.804 5.704 1.00 14.23 C ATOM 1202 NE ARG A 72 9.098 -7.245 6.402 1.00 11.42 N ATOM 1203 CZ ARG A 72 8.738 -6.820 7.585 1.00 12.14 C ATOM 1204 NH1 ARG A 72 9.468 -5.972 8.240 1.00 44.13 N ATOM 1205 NH2 ARG A 72 7.642 -7.248 8.114 1.00 0.21 N ATOM 0 H ARG A 72 11.620 -7.307 2.267 1.00 11.41 H new ATOM 0 HA ARG A 72 10.713 -10.028 2.325 1.00 5.31 H new ATOM 0 HB2 ARG A 72 9.530 -9.137 4.429 1.00 0.42 H new ATOM 0 HB3 ARG A 72 11.278 -9.013 4.413 1.00 0.42 H new ATOM 0 HG2 ARG A 72 11.083 -6.621 3.711 1.00 54.11 H new ATOM 0 HG3 ARG A 72 9.337 -6.756 3.785 1.00 54.11 H new ATOM 0 HD2 ARG A 72 11.174 -7.276 6.156 1.00 14.23 H new ATOM 0 HD3 ARG A 72 10.419 -5.728 5.832 1.00 14.23 H new ATOM 0 HE ARG A 72 8.500 -7.928 5.937 1.00 11.42 H new ATOM 0 HH11 ARG A 72 10.337 -5.627 7.833 1.00 44.13 H new ATOM 0 HH12 ARG A 72 9.173 -5.650 9.162 1.00 44.13 H new ATOM 0 HH21 ARG A 72 7.059 -7.916 7.610 1.00 0.21 H new ATOM 0 HH22 ARG A 72 7.358 -6.918 9.037 1.00 0.21 H new ATOM 1219 N PHE A 73 8.623 -7.797 1.231 1.00 11.12 N ATOM 1220 CA PHE A 73 7.285 -7.588 0.650 1.00 0.30 C ATOM 1221 C PHE A 73 7.285 -7.696 -0.883 1.00 63.22 C ATOM 1222 O PHE A 73 6.262 -7.471 -1.532 1.00 44.45 O ATOM 1223 CB PHE A 73 6.756 -6.212 1.061 1.00 71.24 C ATOM 1224 CG PHE A 73 6.170 -6.169 2.450 1.00 53.41 C ATOM 1225 CD1 PHE A 73 4.860 -6.562 2.665 1.00 2.15 C ATOM 1226 CD2 PHE A 73 6.919 -5.733 3.535 1.00 22.20 C ATOM 1227 CE1 PHE A 73 4.306 -6.525 3.928 1.00 71.41 C ATOM 1228 CE2 PHE A 73 6.370 -5.695 4.802 1.00 73.45 C ATOM 1229 CZ PHE A 73 5.063 -6.092 4.999 1.00 24.21 C ATOM 0 H PHE A 73 9.261 -7.012 1.100 1.00 11.12 H new ATOM 0 HA PHE A 73 6.639 -8.377 1.035 1.00 0.30 H new ATOM 0 HB2 PHE A 73 7.569 -5.488 0.998 1.00 71.24 H new ATOM 0 HB3 PHE A 73 5.994 -5.899 0.347 1.00 71.24 H new ATOM 0 HD1 PHE A 73 4.263 -6.903 1.832 1.00 2.15 H new ATOM 0 HD2 PHE A 73 7.942 -5.420 3.387 1.00 22.20 H new ATOM 0 HE1 PHE A 73 3.282 -6.834 4.079 1.00 71.41 H new ATOM 0 HE2 PHE A 73 6.963 -5.355 5.638 1.00 73.45 H new ATOM 0 HZ PHE A 73 4.633 -6.064 5.989 1.00 24.21 H new ATOM 1239 N ASP A 74 8.433 -8.034 -1.446 1.00 31.52 N ATOM 1240 CA ASP A 74 8.624 -8.081 -2.900 1.00 24.22 C ATOM 1241 C ASP A 74 7.603 -9.003 -3.603 1.00 45.11 C ATOM 1242 O ASP A 74 7.807 -10.216 -3.709 1.00 31.24 O ATOM 1243 CB ASP A 74 10.058 -8.528 -3.218 1.00 74.01 C ATOM 1244 CG ASP A 74 10.413 -8.358 -4.685 1.00 5.41 C ATOM 1245 OD1 ASP A 74 10.129 -9.273 -5.485 1.00 3.02 O ATOM 1246 OD2 ASP A 74 10.975 -7.303 -5.048 1.00 44.24 O ATOM 0 H ASP A 74 9.265 -8.285 -0.913 1.00 31.52 H new ATOM 0 HA ASP A 74 8.456 -7.076 -3.286 1.00 24.22 H new ATOM 0 HB2 ASP A 74 10.757 -7.953 -2.610 1.00 74.01 H new ATOM 0 HB3 ASP A 74 10.179 -9.575 -2.938 1.00 74.01 H new ATOM 1251 N GLY A 75 6.488 -8.416 -4.041 1.00 43.22 N ATOM 1252 CA GLY A 75 5.515 -9.130 -4.864 1.00 34.41 C ATOM 1253 C GLY A 75 4.905 -10.351 -4.184 1.00 33.14 C ATOM 1254 O GLY A 75 4.704 -11.386 -4.825 1.00 41.44 O ATOM 0 H GLY A 75 6.238 -7.448 -3.839 1.00 43.22 H new ATOM 0 HA2 GLY A 75 4.715 -8.443 -5.141 1.00 34.41 H new ATOM 0 HA3 GLY A 75 5.998 -9.445 -5.789 1.00 34.41 H new ATOM 1258 N TYR A 76 4.602 -10.240 -2.893 1.00 20.11 N ATOM 1259 CA TYR A 76 4.015 -11.360 -2.147 1.00 14.21 C ATOM 1260 C TYR A 76 2.491 -11.428 -2.362 1.00 61.51 C ATOM 1261 O TYR A 76 1.857 -10.433 -2.725 1.00 34.00 O ATOM 1262 CB TYR A 76 4.340 -11.241 -0.647 1.00 11.32 C ATOM 1263 CG TYR A 76 3.391 -10.351 0.130 1.00 73.43 C ATOM 1264 CD1 TYR A 76 3.459 -8.967 0.028 1.00 2.14 C ATOM 1265 CD2 TYR A 76 2.420 -10.902 0.962 1.00 55.21 C ATOM 1266 CE1 TYR A 76 2.589 -8.163 0.729 1.00 63.12 C ATOM 1267 CE2 TYR A 76 1.550 -10.100 1.666 1.00 42.22 C ATOM 1268 CZ TYR A 76 1.639 -8.734 1.545 1.00 23.13 C ATOM 1269 OH TYR A 76 0.772 -7.936 2.241 1.00 64.22 O ATOM 0 H TYR A 76 4.750 -9.395 -2.342 1.00 20.11 H new ATOM 0 HA TYR A 76 4.454 -12.283 -2.526 1.00 14.21 H new ATOM 0 HB2 TYR A 76 4.329 -12.237 -0.205 1.00 11.32 H new ATOM 0 HB3 TYR A 76 5.353 -10.855 -0.537 1.00 11.32 H new ATOM 0 HD1 TYR A 76 4.205 -8.516 -0.610 1.00 2.14 H new ATOM 0 HD2 TYR A 76 2.348 -11.975 1.057 1.00 55.21 H new ATOM 0 HE1 TYR A 76 2.652 -7.089 0.639 1.00 63.12 H new ATOM 0 HE2 TYR A 76 0.803 -10.541 2.309 1.00 42.22 H new ATOM 0 HH TYR A 76 1.208 -7.083 2.449 1.00 64.22 H new ATOM 1279 N ILE A 77 1.906 -12.599 -2.124 1.00 55.44 N ATOM 1280 CA ILE A 77 0.469 -12.811 -2.337 1.00 75.12 C ATOM 1281 C ILE A 77 -0.323 -12.747 -1.018 1.00 12.22 C ATOM 1282 O ILE A 77 -0.265 -13.669 -0.198 1.00 63.31 O ATOM 1283 CB ILE A 77 0.206 -14.180 -3.017 1.00 11.04 C ATOM 1284 CG1 ILE A 77 0.973 -14.280 -4.347 1.00 23.13 C ATOM 1285 CG2 ILE A 77 -1.292 -14.398 -3.237 1.00 24.45 C ATOM 1286 CD1 ILE A 77 0.545 -13.265 -5.389 1.00 64.31 C ATOM 0 H ILE A 77 2.404 -13.421 -1.782 1.00 55.44 H new ATOM 0 HA ILE A 77 0.128 -12.006 -2.988 1.00 75.12 H new ATOM 0 HB ILE A 77 0.568 -14.966 -2.354 1.00 11.04 H new ATOM 0 HG12 ILE A 77 2.038 -14.155 -4.150 1.00 23.13 H new ATOM 0 HG13 ILE A 77 0.840 -15.282 -4.756 1.00 23.13 H new ATOM 0 HG21 ILE A 77 -1.453 -15.364 -3.715 1.00 24.45 H new ATOM 0 HG22 ILE A 77 -1.807 -14.378 -2.277 1.00 24.45 H new ATOM 0 HG23 ILE A 77 -1.685 -13.607 -3.876 1.00 24.45 H new ATOM 0 HD11 ILE A 77 1.134 -13.404 -6.296 1.00 64.31 H new ATOM 0 HD12 ILE A 77 -0.512 -13.403 -5.618 1.00 64.31 H new ATOM 0 HD13 ILE A 77 0.704 -12.258 -5.003 1.00 64.31 H new ATOM 1298 N PHE A 78 -1.053 -11.653 -0.810 1.00 53.52 N ATOM 1299 CA PHE A 78 -1.933 -11.521 0.357 1.00 22.13 C ATOM 1300 C PHE A 78 -3.328 -12.081 0.036 1.00 34.41 C ATOM 1301 O PHE A 78 -3.917 -11.743 -0.984 1.00 65.15 O ATOM 1302 CB PHE A 78 -2.036 -10.050 0.793 1.00 54.44 C ATOM 1303 CG PHE A 78 -2.780 -9.856 2.094 1.00 43.55 C ATOM 1304 CD1 PHE A 78 -2.121 -9.976 3.310 1.00 33.20 C ATOM 1305 CD2 PHE A 78 -4.137 -9.558 2.103 1.00 44.50 C ATOM 1306 CE1 PHE A 78 -2.796 -9.802 4.503 1.00 10.32 C ATOM 1307 CE2 PHE A 78 -4.817 -9.385 3.293 1.00 52.31 C ATOM 1308 CZ PHE A 78 -4.146 -9.506 4.494 1.00 44.23 C ATOM 0 H PHE A 78 -1.055 -10.844 -1.432 1.00 53.52 H new ATOM 0 HA PHE A 78 -1.505 -12.094 1.179 1.00 22.13 H new ATOM 0 HB2 PHE A 78 -1.032 -9.638 0.893 1.00 54.44 H new ATOM 0 HB3 PHE A 78 -2.537 -9.482 0.009 1.00 54.44 H new ATOM 0 HD1 PHE A 78 -1.066 -10.209 3.324 1.00 33.20 H new ATOM 0 HD2 PHE A 78 -4.667 -9.460 1.167 1.00 44.50 H new ATOM 0 HE1 PHE A 78 -2.269 -9.897 5.441 1.00 10.32 H new ATOM 0 HE2 PHE A 78 -5.872 -9.155 3.284 1.00 52.31 H new ATOM 0 HZ PHE A 78 -4.676 -9.369 5.425 1.00 44.23 H new ATOM 1318 N LEU A 79 -3.844 -12.944 0.902 1.00 41.54 N ATOM 1319 CA LEU A 79 -5.146 -13.584 0.673 1.00 11.34 C ATOM 1320 C LEU A 79 -6.248 -12.997 1.568 1.00 64.44 C ATOM 1321 O LEU A 79 -6.067 -12.836 2.776 1.00 25.10 O ATOM 1322 CB LEU A 79 -5.034 -15.099 0.908 1.00 32.45 C ATOM 1323 CG LEU A 79 -4.254 -15.874 -0.168 1.00 31.52 C ATOM 1324 CD1 LEU A 79 -3.997 -17.312 0.278 1.00 31.11 C ATOM 1325 CD2 LEU A 79 -5.012 -15.852 -1.492 1.00 12.14 C ATOM 0 H LEU A 79 -3.386 -13.221 1.770 1.00 41.54 H new ATOM 0 HA LEU A 79 -5.427 -13.389 -0.362 1.00 11.34 H new ATOM 0 HB2 LEU A 79 -4.554 -15.266 1.872 1.00 32.45 H new ATOM 0 HB3 LEU A 79 -6.039 -15.515 0.975 1.00 32.45 H new ATOM 0 HG LEU A 79 -3.290 -15.386 -0.311 1.00 31.52 H new ATOM 0 HD11 LEU A 79 -3.444 -17.841 -0.499 1.00 31.11 H new ATOM 0 HD12 LEU A 79 -3.415 -17.309 1.199 1.00 31.11 H new ATOM 0 HD13 LEU A 79 -4.948 -17.815 0.452 1.00 31.11 H new ATOM 0 HD21 LEU A 79 -4.448 -16.404 -2.243 1.00 12.14 H new ATOM 0 HD22 LEU A 79 -5.990 -16.315 -1.359 1.00 12.14 H new ATOM 0 HD23 LEU A 79 -5.141 -14.821 -1.820 1.00 12.14 H new ATOM 1337 N ASP A 80 -7.389 -12.669 0.961 1.00 25.51 N ATOM 1338 CA ASP A 80 -8.568 -12.223 1.713 1.00 55.54 C ATOM 1339 C ASP A 80 -9.243 -13.413 2.420 1.00 52.41 C ATOM 1340 O ASP A 80 -8.989 -14.570 2.080 1.00 41.32 O ATOM 1341 CB ASP A 80 -9.565 -11.542 0.765 1.00 14.42 C ATOM 1342 CG ASP A 80 -10.767 -10.971 1.495 1.00 53.43 C ATOM 1343 OD1 ASP A 80 -10.667 -9.844 2.020 1.00 3.41 O ATOM 1344 OD2 ASP A 80 -11.804 -11.663 1.569 1.00 70.51 O ATOM 0 H ASP A 80 -7.524 -12.703 -0.049 1.00 25.51 H new ATOM 0 HA ASP A 80 -8.247 -11.508 2.471 1.00 55.54 H new ATOM 0 HB2 ASP A 80 -9.059 -10.742 0.225 1.00 14.42 H new ATOM 0 HB3 ASP A 80 -9.905 -12.263 0.022 1.00 14.42 H new ATOM 1349 N SER A 81 -10.111 -13.123 3.389 1.00 12.11 N ATOM 1350 CA SER A 81 -10.841 -14.171 4.124 1.00 72.21 C ATOM 1351 C SER A 81 -11.615 -15.105 3.178 1.00 13.54 C ATOM 1352 O SER A 81 -11.795 -16.288 3.467 1.00 22.44 O ATOM 1353 CB SER A 81 -11.819 -13.539 5.125 1.00 3.22 C ATOM 1354 OG SER A 81 -11.140 -12.719 6.065 1.00 12.14 O ATOM 0 H SER A 81 -10.330 -12.173 3.688 1.00 12.11 H new ATOM 0 HA SER A 81 -10.098 -14.765 4.656 1.00 72.21 H new ATOM 0 HB2 SER A 81 -12.558 -12.944 4.588 1.00 3.22 H new ATOM 0 HB3 SER A 81 -12.362 -14.324 5.650 1.00 3.22 H new ATOM 0 HG SER A 81 -11.789 -12.329 6.688 1.00 12.14 H new ATOM 1360 N LYS A 82 -12.076 -14.566 2.049 1.00 62.11 N ATOM 1361 CA LYS A 82 -12.833 -15.353 1.061 1.00 12.35 C ATOM 1362 C LYS A 82 -11.912 -16.149 0.120 1.00 42.52 C ATOM 1363 O LYS A 82 -12.370 -17.032 -0.607 1.00 11.12 O ATOM 1364 CB LYS A 82 -13.739 -14.429 0.231 1.00 51.34 C ATOM 1365 CG LYS A 82 -14.741 -13.632 1.062 1.00 65.45 C ATOM 1366 CD LYS A 82 -15.606 -14.539 1.932 1.00 62.20 C ATOM 1367 CE LYS A 82 -16.678 -13.757 2.677 1.00 60.44 C ATOM 1368 NZ LYS A 82 -17.439 -14.623 3.616 1.00 31.33 N ATOM 0 H LYS A 82 -11.941 -13.588 1.791 1.00 62.11 H new ATOM 0 HA LYS A 82 -13.439 -16.068 1.617 1.00 12.35 H new ATOM 0 HB2 LYS A 82 -13.115 -13.734 -0.331 1.00 51.34 H new ATOM 0 HB3 LYS A 82 -14.283 -15.030 -0.498 1.00 51.34 H new ATOM 0 HG2 LYS A 82 -14.206 -12.924 1.695 1.00 65.45 H new ATOM 0 HG3 LYS A 82 -15.379 -13.048 0.399 1.00 65.45 H new ATOM 0 HD2 LYS A 82 -16.078 -15.298 1.308 1.00 62.20 H new ATOM 0 HD3 LYS A 82 -14.975 -15.064 2.649 1.00 62.20 H new ATOM 0 HE2 LYS A 82 -16.214 -12.940 3.230 1.00 60.44 H new ATOM 0 HE3 LYS A 82 -17.364 -13.307 1.960 1.00 60.44 H new ATOM 0 HZ1 LYS A 82 -18.160 -14.055 4.105 1.00 31.33 H new ATOM 0 HZ2 LYS A 82 -17.902 -15.388 3.085 1.00 31.33 H new ATOM 0 HZ3 LYS A 82 -16.788 -15.033 4.316 1.00 31.33 H new ATOM 1382 N GLY A 83 -10.619 -15.834 0.138 1.00 13.42 N ATOM 1383 CA GLY A 83 -9.667 -16.495 -0.753 1.00 10.44 C ATOM 1384 C GLY A 83 -9.362 -15.690 -2.015 1.00 73.53 C ATOM 1385 O GLY A 83 -9.438 -16.207 -3.131 1.00 23.32 O ATOM 0 H GLY A 83 -10.208 -15.132 0.754 1.00 13.42 H new ATOM 0 HA2 GLY A 83 -8.738 -16.675 -0.212 1.00 10.44 H new ATOM 0 HA3 GLY A 83 -10.063 -17.469 -1.039 1.00 10.44 H new ATOM 1389 N LEU A 84 -9.021 -14.415 -1.840 1.00 24.15 N ATOM 1390 CA LEU A 84 -8.658 -13.539 -2.969 1.00 52.42 C ATOM 1391 C LEU A 84 -7.162 -13.194 -2.941 1.00 15.14 C ATOM 1392 O LEU A 84 -6.647 -12.725 -1.927 1.00 64.43 O ATOM 1393 CB LEU A 84 -9.492 -12.248 -2.930 1.00 22.32 C ATOM 1394 CG LEU A 84 -11.018 -12.447 -2.967 1.00 44.03 C ATOM 1395 CD1 LEU A 84 -11.738 -11.102 -2.910 1.00 5.22 C ATOM 1396 CD2 LEU A 84 -11.432 -13.226 -4.214 1.00 43.20 C ATOM 0 H LEU A 84 -8.986 -13.958 -0.929 1.00 24.15 H new ATOM 0 HA LEU A 84 -8.870 -14.076 -3.893 1.00 52.42 H new ATOM 0 HB2 LEU A 84 -9.236 -11.697 -2.025 1.00 22.32 H new ATOM 0 HB3 LEU A 84 -9.203 -11.623 -3.775 1.00 22.32 H new ATOM 0 HG LEU A 84 -11.307 -13.028 -2.091 1.00 44.03 H new ATOM 0 HD11 LEU A 84 -12.815 -11.265 -2.937 1.00 5.22 H new ATOM 0 HD12 LEU A 84 -11.472 -10.586 -1.988 1.00 5.22 H new ATOM 0 HD13 LEU A 84 -11.441 -10.494 -3.764 1.00 5.22 H new ATOM 0 HD21 LEU A 84 -12.514 -13.355 -4.220 1.00 43.20 H new ATOM 0 HD22 LEU A 84 -11.127 -12.676 -5.104 1.00 43.20 H new ATOM 0 HD23 LEU A 84 -10.950 -14.204 -4.209 1.00 43.20 H new ATOM 1408 N GLU A 85 -6.471 -13.431 -4.056 1.00 32.22 N ATOM 1409 CA GLU A 85 -5.024 -13.181 -4.147 1.00 41.53 C ATOM 1410 C GLU A 85 -4.717 -11.707 -4.462 1.00 14.01 C ATOM 1411 O GLU A 85 -5.177 -11.167 -5.471 1.00 12.43 O ATOM 1412 CB GLU A 85 -4.394 -14.072 -5.227 1.00 32.22 C ATOM 1413 CG GLU A 85 -4.683 -15.561 -5.056 1.00 42.31 C ATOM 1414 CD GLU A 85 -3.923 -16.428 -6.050 1.00 53.45 C ATOM 1415 OE1 GLU A 85 -4.071 -16.210 -7.274 1.00 10.41 O ATOM 1416 OE2 GLU A 85 -3.181 -17.336 -5.613 1.00 33.41 O ATOM 0 H GLU A 85 -6.887 -13.796 -4.913 1.00 32.22 H new ATOM 0 HA GLU A 85 -4.595 -13.420 -3.174 1.00 41.53 H new ATOM 0 HB2 GLU A 85 -4.758 -13.752 -6.204 1.00 32.22 H new ATOM 0 HB3 GLU A 85 -3.315 -13.920 -5.224 1.00 32.22 H new ATOM 0 HG2 GLU A 85 -4.420 -15.863 -4.042 1.00 42.31 H new ATOM 0 HG3 GLU A 85 -5.753 -15.735 -5.173 1.00 42.31 H new ATOM 1423 N TYR A 86 -3.936 -11.066 -3.595 1.00 55.05 N ATOM 1424 CA TYR A 86 -3.478 -9.689 -3.822 1.00 71.44 C ATOM 1425 C TYR A 86 -1.947 -9.646 -3.964 1.00 41.51 C ATOM 1426 O TYR A 86 -1.225 -9.652 -2.961 1.00 32.35 O ATOM 1427 CB TYR A 86 -3.906 -8.771 -2.665 1.00 2.44 C ATOM 1428 CG TYR A 86 -5.387 -8.836 -2.333 1.00 12.24 C ATOM 1429 CD1 TYR A 86 -6.342 -8.298 -3.188 1.00 23.31 C ATOM 1430 CD2 TYR A 86 -5.825 -9.435 -1.160 1.00 51.14 C ATOM 1431 CE1 TYR A 86 -7.687 -8.357 -2.880 1.00 75.43 C ATOM 1432 CE2 TYR A 86 -7.165 -9.499 -0.846 1.00 43.25 C ATOM 1433 CZ TYR A 86 -8.096 -8.958 -1.707 1.00 44.31 C ATOM 1434 OH TYR A 86 -9.434 -9.022 -1.398 1.00 51.23 O ATOM 0 H TYR A 86 -3.603 -11.477 -2.723 1.00 55.05 H new ATOM 0 HA TYR A 86 -3.937 -9.335 -4.745 1.00 71.44 H new ATOM 0 HB2 TYR A 86 -3.334 -9.035 -1.776 1.00 2.44 H new ATOM 0 HB3 TYR A 86 -3.646 -7.743 -2.917 1.00 2.44 H new ATOM 0 HD1 TYR A 86 -6.027 -7.827 -4.107 1.00 23.31 H new ATOM 0 HD2 TYR A 86 -5.101 -9.859 -0.480 1.00 51.14 H new ATOM 0 HE1 TYR A 86 -8.416 -7.934 -3.555 1.00 75.43 H new ATOM 0 HE2 TYR A 86 -7.485 -9.971 0.071 1.00 43.25 H new ATOM 0 HH TYR A 86 -9.574 -8.699 -0.483 1.00 51.23 H new ATOM 1444 N PRO A 87 -1.427 -9.642 -5.208 1.00 64.43 N ATOM 1445 CA PRO A 87 0.019 -9.537 -5.456 1.00 14.22 C ATOM 1446 C PRO A 87 0.557 -8.120 -5.190 1.00 43.10 C ATOM 1447 O PRO A 87 0.431 -7.224 -6.022 1.00 45.20 O ATOM 1448 CB PRO A 87 0.154 -9.916 -6.937 1.00 44.40 C ATOM 1449 CG PRO A 87 -1.162 -9.554 -7.543 1.00 64.43 C ATOM 1450 CD PRO A 87 -2.199 -9.758 -6.464 1.00 41.35 C ATOM 0 HA PRO A 87 0.599 -10.178 -4.793 1.00 14.22 H new ATOM 0 HB2 PRO A 87 0.971 -9.373 -7.412 1.00 44.40 H new ATOM 0 HB3 PRO A 87 0.366 -10.979 -7.056 1.00 44.40 H new ATOM 0 HG2 PRO A 87 -1.159 -8.520 -7.888 1.00 64.43 H new ATOM 0 HG3 PRO A 87 -1.375 -10.179 -8.410 1.00 64.43 H new ATOM 0 HD2 PRO A 87 -2.988 -9.008 -6.520 1.00 41.35 H new ATOM 0 HD3 PRO A 87 -2.680 -10.733 -6.550 1.00 41.35 H new ATOM 1458 N ALA A 88 1.136 -7.919 -4.011 1.00 1.44 N ATOM 1459 CA ALA A 88 1.656 -6.606 -3.623 1.00 21.55 C ATOM 1460 C ALA A 88 3.076 -6.368 -4.169 1.00 2.33 C ATOM 1461 O ALA A 88 4.070 -6.727 -3.534 1.00 34.51 O ATOM 1462 CB ALA A 88 1.627 -6.462 -2.106 1.00 10.40 C ATOM 0 H ALA A 88 1.259 -8.646 -3.306 1.00 1.44 H new ATOM 0 HA ALA A 88 1.012 -5.845 -4.065 1.00 21.55 H new ATOM 0 HB1 ALA A 88 2.015 -5.483 -1.826 1.00 10.40 H new ATOM 0 HB2 ALA A 88 0.601 -6.561 -1.751 1.00 10.40 H new ATOM 0 HB3 ALA A 88 2.244 -7.239 -1.655 1.00 10.40 H new ATOM 1468 N VAL A 89 3.164 -5.777 -5.359 1.00 23.34 N ATOM 1469 CA VAL A 89 4.460 -5.472 -5.977 1.00 52.11 C ATOM 1470 C VAL A 89 4.985 -4.100 -5.523 1.00 43.03 C ATOM 1471 O VAL A 89 4.330 -3.075 -5.720 1.00 60.54 O ATOM 1472 CB VAL A 89 4.371 -5.500 -7.524 1.00 54.34 C ATOM 1473 CG1 VAL A 89 5.742 -5.243 -8.153 1.00 3.52 C ATOM 1474 CG2 VAL A 89 3.793 -6.830 -8.008 1.00 65.44 C ATOM 0 H VAL A 89 2.357 -5.499 -5.917 1.00 23.34 H new ATOM 0 HA VAL A 89 5.155 -6.245 -5.650 1.00 52.11 H new ATOM 0 HB VAL A 89 3.699 -4.702 -7.840 1.00 54.34 H new ATOM 0 HG11 VAL A 89 5.654 -5.267 -9.239 1.00 3.52 H new ATOM 0 HG12 VAL A 89 6.108 -4.265 -7.840 1.00 3.52 H new ATOM 0 HG13 VAL A 89 6.442 -6.013 -7.828 1.00 3.52 H new ATOM 0 HG21 VAL A 89 3.739 -6.829 -9.097 1.00 65.44 H new ATOM 0 HG22 VAL A 89 4.434 -7.647 -7.677 1.00 65.44 H new ATOM 0 HG23 VAL A 89 2.793 -6.964 -7.595 1.00 65.44 H new ATOM 1484 N VAL A 90 6.170 -4.091 -4.919 1.00 53.04 N ATOM 1485 CA VAL A 90 6.773 -2.859 -4.397 1.00 51.33 C ATOM 1486 C VAL A 90 7.737 -2.225 -5.418 1.00 2.12 C ATOM 1487 O VAL A 90 8.870 -2.687 -5.588 1.00 25.13 O ATOM 1488 CB VAL A 90 7.538 -3.133 -3.076 1.00 51.13 C ATOM 1489 CG1 VAL A 90 8.070 -1.835 -2.471 1.00 63.40 C ATOM 1490 CG2 VAL A 90 6.650 -3.875 -2.076 1.00 75.41 C ATOM 0 H VAL A 90 6.738 -4.926 -4.776 1.00 53.04 H new ATOM 0 HA VAL A 90 5.957 -2.162 -4.205 1.00 51.33 H new ATOM 0 HB VAL A 90 8.392 -3.770 -3.309 1.00 51.13 H new ATOM 0 HG11 VAL A 90 8.602 -2.056 -1.546 1.00 63.40 H new ATOM 0 HG12 VAL A 90 8.751 -1.357 -3.176 1.00 63.40 H new ATOM 0 HG13 VAL A 90 7.237 -1.164 -2.259 1.00 63.40 H new ATOM 0 HG21 VAL A 90 7.209 -4.056 -1.158 1.00 75.41 H new ATOM 0 HG22 VAL A 90 5.770 -3.271 -1.853 1.00 75.41 H new ATOM 0 HG23 VAL A 90 6.337 -4.827 -2.504 1.00 75.41 H new ATOM 1500 N GLU A 91 7.284 -1.171 -6.098 1.00 52.53 N ATOM 1501 CA GLU A 91 8.105 -0.485 -7.107 1.00 44.11 C ATOM 1502 C GLU A 91 8.156 1.032 -6.867 1.00 73.44 C ATOM 1503 O GLU A 91 7.291 1.600 -6.200 1.00 14.11 O ATOM 1504 CB GLU A 91 7.575 -0.784 -8.519 1.00 22.32 C ATOM 1505 CG GLU A 91 6.124 -0.371 -8.749 1.00 2.43 C ATOM 1506 CD GLU A 91 5.658 -0.657 -10.168 1.00 14.43 C ATOM 1507 OE1 GLU A 91 5.196 -1.790 -10.435 1.00 43.24 O ATOM 1508 OE2 GLU A 91 5.770 0.244 -11.027 1.00 13.11 O ATOM 0 H GLU A 91 6.354 -0.771 -5.971 1.00 52.53 H new ATOM 0 HA GLU A 91 9.122 -0.867 -7.018 1.00 44.11 H new ATOM 0 HB2 GLU A 91 8.205 -0.272 -9.246 1.00 22.32 H new ATOM 0 HB3 GLU A 91 7.670 -1.853 -8.711 1.00 22.32 H new ATOM 0 HG2 GLU A 91 5.482 -0.901 -8.045 1.00 2.43 H new ATOM 0 HG3 GLU A 91 6.015 0.693 -8.541 1.00 2.43 H new ATOM 1515 N PHE A 92 9.179 1.689 -7.413 1.00 10.11 N ATOM 1516 CA PHE A 92 9.368 3.132 -7.209 1.00 5.14 C ATOM 1517 C PHE A 92 8.557 3.962 -8.219 1.00 25.54 C ATOM 1518 O PHE A 92 8.026 3.435 -9.197 1.00 44.33 O ATOM 1519 CB PHE A 92 10.859 3.502 -7.312 1.00 31.12 C ATOM 1520 CG PHE A 92 11.441 3.372 -8.706 1.00 70.30 C ATOM 1521 CD1 PHE A 92 11.861 2.141 -9.187 1.00 20.24 C ATOM 1522 CD2 PHE A 92 11.569 4.483 -9.531 1.00 4.04 C ATOM 1523 CE1 PHE A 92 12.393 2.020 -10.457 1.00 4.51 C ATOM 1524 CE2 PHE A 92 12.101 4.367 -10.803 1.00 70.13 C ATOM 1525 CZ PHE A 92 12.513 3.133 -11.266 1.00 13.41 C ATOM 0 H PHE A 92 9.889 1.250 -7.999 1.00 10.11 H new ATOM 0 HA PHE A 92 9.005 3.367 -6.208 1.00 5.14 H new ATOM 0 HB2 PHE A 92 10.991 4.529 -6.971 1.00 31.12 H new ATOM 0 HB3 PHE A 92 11.427 2.865 -6.633 1.00 31.12 H new ATOM 0 HD1 PHE A 92 11.771 1.265 -8.561 1.00 20.24 H new ATOM 0 HD2 PHE A 92 11.249 5.451 -9.174 1.00 4.04 H new ATOM 0 HE1 PHE A 92 12.715 1.054 -10.817 1.00 4.51 H new ATOM 0 HE2 PHE A 92 12.194 5.240 -11.432 1.00 70.13 H new ATOM 0 HZ PHE A 92 12.928 3.038 -12.259 1.00 13.41 H new ATOM 1535 N ALA A 93 8.474 5.269 -7.975 1.00 23.32 N ATOM 1536 CA ALA A 93 7.802 6.193 -8.897 1.00 33.25 C ATOM 1537 C ALA A 93 8.826 7.045 -9.672 1.00 45.33 C ATOM 1538 O ALA A 93 9.823 7.493 -9.101 1.00 71.33 O ATOM 1539 CB ALA A 93 6.832 7.088 -8.132 1.00 22.23 C ATOM 0 H ALA A 93 8.864 5.716 -7.145 1.00 23.32 H new ATOM 0 HA ALA A 93 7.240 5.603 -9.621 1.00 33.25 H new ATOM 0 HB1 ALA A 93 6.340 7.769 -8.827 1.00 22.23 H new ATOM 0 HB2 ALA A 93 6.082 6.472 -7.636 1.00 22.23 H new ATOM 0 HB3 ALA A 93 7.380 7.664 -7.386 1.00 22.23 H new ATOM 1545 N PRO A 94 8.597 7.277 -10.985 1.00 22.01 N ATOM 1546 CA PRO A 94 9.517 8.060 -11.839 1.00 21.25 C ATOM 1547 C PRO A 94 9.850 9.454 -11.270 1.00 53.42 C ATOM 1548 O PRO A 94 8.956 10.277 -11.048 1.00 74.32 O ATOM 1549 CB PRO A 94 8.745 8.192 -13.161 1.00 72.12 C ATOM 1550 CG PRO A 94 7.829 7.016 -13.181 1.00 21.13 C ATOM 1551 CD PRO A 94 7.431 6.781 -11.747 1.00 64.24 C ATOM 0 HA PRO A 94 10.486 7.569 -11.931 1.00 21.25 H new ATOM 0 HB2 PRO A 94 8.189 9.128 -13.203 1.00 72.12 H new ATOM 0 HB3 PRO A 94 9.420 8.183 -14.017 1.00 72.12 H new ATOM 0 HG2 PRO A 94 6.955 7.212 -13.802 1.00 21.13 H new ATOM 0 HG3 PRO A 94 8.326 6.140 -13.597 1.00 21.13 H new ATOM 0 HD2 PRO A 94 6.521 7.323 -11.488 1.00 64.24 H new ATOM 0 HD3 PRO A 94 7.241 5.726 -11.550 1.00 64.24 H new ATOM 1559 N PHE A 95 11.141 9.717 -11.048 1.00 30.00 N ATOM 1560 CA PHE A 95 11.594 11.012 -10.519 1.00 22.24 C ATOM 1561 C PHE A 95 11.425 12.135 -11.559 1.00 42.14 C ATOM 1562 O PHE A 95 11.753 11.967 -12.734 1.00 4.55 O ATOM 1563 CB PHE A 95 13.063 10.911 -10.075 1.00 62.15 C ATOM 1564 CG PHE A 95 13.598 12.166 -9.431 1.00 53.31 C ATOM 1565 CD1 PHE A 95 13.240 12.501 -8.131 1.00 32.12 C ATOM 1566 CD2 PHE A 95 14.462 13.008 -10.120 1.00 52.21 C ATOM 1567 CE1 PHE A 95 13.731 13.648 -7.535 1.00 61.51 C ATOM 1568 CE2 PHE A 95 14.954 14.156 -9.527 1.00 5.32 C ATOM 1569 CZ PHE A 95 14.589 14.475 -8.234 1.00 75.42 C ATOM 0 H PHE A 95 11.893 9.052 -11.226 1.00 30.00 H new ATOM 0 HA PHE A 95 10.974 11.262 -9.658 1.00 22.24 H new ATOM 0 HB2 PHE A 95 13.163 10.084 -9.373 1.00 62.15 H new ATOM 0 HB3 PHE A 95 13.678 10.669 -10.942 1.00 62.15 H new ATOM 0 HD1 PHE A 95 12.570 11.858 -7.579 1.00 32.12 H new ATOM 0 HD2 PHE A 95 14.753 12.763 -11.131 1.00 52.21 H new ATOM 0 HE1 PHE A 95 13.444 13.897 -6.524 1.00 61.51 H new ATOM 0 HE2 PHE A 95 15.623 14.803 -10.075 1.00 5.32 H new ATOM 0 HZ PHE A 95 14.974 15.371 -7.769 1.00 75.42 H new ATOM 1579 N GLN A 96 10.924 13.288 -11.114 1.00 22.55 N ATOM 1580 CA GLN A 96 10.633 14.412 -12.013 1.00 4.44 C ATOM 1581 C GLN A 96 11.764 15.456 -12.025 1.00 55.54 C ATOM 1582 O GLN A 96 12.156 15.982 -10.979 1.00 32.10 O ATOM 1583 CB GLN A 96 9.307 15.071 -11.598 1.00 21.14 C ATOM 1584 CG GLN A 96 8.908 16.301 -12.418 1.00 13.40 C ATOM 1585 CD GLN A 96 8.858 16.038 -13.916 1.00 21.45 C ATOM 1586 OE1 GLN A 96 9.928 16.360 -14.614 1.00 24.04 O flip ATOM 1587 NE2 GLN A 96 7.848 15.588 -14.448 1.00 44.14 N flip ATOM 0 H GLN A 96 10.710 13.471 -10.134 1.00 22.55 H new ATOM 0 HA GLN A 96 10.551 14.017 -13.025 1.00 4.44 H new ATOM 0 HB2 GLN A 96 8.512 14.330 -11.674 1.00 21.14 H new ATOM 0 HB3 GLN A 96 9.375 15.359 -10.549 1.00 21.14 H new ATOM 0 HG2 GLN A 96 7.930 16.649 -12.085 1.00 13.40 H new ATOM 0 HG3 GLN A 96 9.617 17.105 -12.221 1.00 13.40 H new ATOM 0 HE21 GLN A 96 7.036 15.348 -13.879 1.00 44.14 H new ATOM 0 HE22 GLN A 96 7.821 15.454 -15.459 1.00 44.14 H new ATOM 1596 N LYS A 97 12.284 15.733 -13.221 1.00 42.35 N ATOM 1597 CA LYS A 97 13.243 16.827 -13.440 1.00 30.03 C ATOM 1598 C LYS A 97 12.625 18.201 -13.094 1.00 72.34 C ATOM 1599 O LYS A 97 13.099 18.846 -12.128 1.00 36.91 O ATOM 1600 CB LYS A 97 13.720 16.800 -14.906 1.00 14.33 C ATOM 1601 CG LYS A 97 14.515 18.027 -15.354 1.00 25.10 C ATOM 1602 CD LYS A 97 15.820 18.196 -14.584 1.00 54.14 C ATOM 1603 CE LYS A 97 16.592 19.422 -15.061 1.00 53.52 C ATOM 1604 NZ LYS A 97 17.864 19.601 -14.318 1.00 75.51 N ATOM 1605 OXT LYS A 97 11.649 18.607 -13.767 1.00 36.91 O ATOM 0 H LYS A 97 12.056 15.209 -14.066 1.00 42.35 H new ATOM 0 HA LYS A 97 14.095 16.680 -12.776 1.00 30.03 H new ATOM 0 HB2 LYS A 97 14.336 15.913 -15.055 1.00 14.33 H new ATOM 0 HB3 LYS A 97 12.849 16.695 -15.553 1.00 14.33 H new ATOM 0 HG2 LYS A 97 14.734 17.944 -16.419 1.00 25.10 H new ATOM 0 HG3 LYS A 97 13.903 18.919 -15.223 1.00 25.10 H new ATOM 0 HD2 LYS A 97 15.607 18.290 -13.519 1.00 54.14 H new ATOM 0 HD3 LYS A 97 16.436 17.305 -14.708 1.00 54.14 H new ATOM 0 HE2 LYS A 97 16.804 19.325 -16.126 1.00 53.52 H new ATOM 0 HE3 LYS A 97 15.973 20.311 -14.939 1.00 53.52 H new ATOM 0 HZ1 LYS A 97 18.358 20.445 -14.673 1.00 75.51 H new ATOM 0 HZ2 LYS A 97 17.661 19.719 -13.305 1.00 75.51 H new ATOM 0 HZ3 LYS A 97 18.467 18.764 -14.455 1.00 75.51 H new TER 1619 LYS A 97