USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 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 GLY N :NH3+ -120:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00342 USER MOD Single : A 6 SER OG : rot 76:sc= 0.221 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= 0.186 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -15.4! C(o=-15!,f=-15!) USER MOD Single : A 22 THR OG1 : rot 176:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.74e-05) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 25:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.5! C(o=-3.5!,f=-1.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.937) USER MOD Single : A 54 GLN : amide:sc= -0.0848 K(o=-0.085,f=-1.8!) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 28:sc= 0.261 USER MOD Single : A 70 SER OG : rot -24:sc= 0.257 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.216 0.981 10.648 1.00 0.00 N ATOM 2 CA GLY A 1 -33.352 1.010 9.482 1.00 0.00 C ATOM 3 C GLY A 1 -32.400 2.189 9.496 1.00 0.00 C ATOM 4 O GLY A 1 -32.362 2.954 10.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.061 0.097 11.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.998 1.791 11.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.210 1.034 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.778 0.084 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.964 1.052 8.581 1.00 0.00 H new ATOM 8 N SER A 2 -31.627 2.336 8.424 1.00 0.00 N ATOM 9 CA SER A 2 -30.666 3.428 8.319 1.00 0.00 C ATOM 10 C SER A 2 -30.166 3.575 6.885 1.00 0.00 C ATOM 11 O SER A 2 -30.434 2.729 6.033 1.00 0.00 O ATOM 12 CB SER A 2 -29.485 3.188 9.261 1.00 0.00 C ATOM 13 OG SER A 2 -28.787 4.393 9.522 1.00 0.00 O ATOM 0 H SER A 2 -31.648 1.713 7.617 1.00 0.00 H new ATOM 0 HA SER A 2 -31.169 4.351 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.844 2.762 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.806 2.459 8.819 1.00 0.00 H new ATOM 0 HG SER A 2 -28.038 4.213 10.128 1.00 0.00 H new ATOM 19 N SER A 3 -29.437 4.656 6.628 1.00 0.00 N ATOM 20 CA SER A 3 -28.902 4.918 5.297 1.00 0.00 C ATOM 21 C SER A 3 -27.939 6.101 5.321 1.00 0.00 C ATOM 22 O SER A 3 -27.780 6.765 6.344 1.00 0.00 O ATOM 23 CB SER A 3 -30.039 5.191 4.311 1.00 0.00 C ATOM 24 OG SER A 3 -29.644 4.899 2.982 1.00 0.00 O ATOM 0 H SER A 3 -29.203 5.364 7.324 1.00 0.00 H new ATOM 0 HA SER A 3 -28.355 4.033 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.907 4.588 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.343 6.235 4.382 1.00 0.00 H new ATOM 0 HG SER A 3 -30.389 5.080 2.372 1.00 0.00 H new ATOM 30 N GLY A 4 -27.300 6.360 4.184 1.00 0.00 N ATOM 31 CA GLY A 4 -26.361 7.463 4.095 1.00 0.00 C ATOM 32 C GLY A 4 -25.111 7.100 3.318 1.00 0.00 C ATOM 33 O GLY A 4 -25.030 7.339 2.114 1.00 0.00 O ATOM 0 H GLY A 4 -27.416 5.826 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.848 8.313 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.081 7.780 5.100 1.00 0.00 H new ATOM 37 N SER A 5 -24.134 6.521 4.009 1.00 0.00 N ATOM 38 CA SER A 5 -22.880 6.129 3.377 1.00 0.00 C ATOM 39 C SER A 5 -22.491 7.118 2.282 1.00 0.00 C ATOM 40 O SER A 5 -22.034 6.725 1.209 1.00 0.00 O ATOM 41 CB SER A 5 -22.998 4.722 2.790 1.00 0.00 C ATOM 42 OG SER A 5 -23.879 4.704 1.681 1.00 0.00 O ATOM 0 H SER A 5 -24.187 6.313 5.006 1.00 0.00 H new ATOM 0 HA SER A 5 -22.101 6.133 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.014 4.369 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.358 4.034 3.555 1.00 0.00 H new ATOM 0 HG SER A 5 -23.936 3.793 1.323 1.00 0.00 H new ATOM 48 N SER A 6 -22.676 8.404 2.562 1.00 0.00 N ATOM 49 CA SER A 6 -22.349 9.450 1.600 1.00 0.00 C ATOM 50 C SER A 6 -21.579 10.584 2.272 1.00 0.00 C ATOM 51 O SER A 6 -21.455 10.626 3.495 1.00 0.00 O ATOM 52 CB SER A 6 -23.624 9.997 0.955 1.00 0.00 C ATOM 53 OG SER A 6 -24.075 9.145 -0.084 1.00 0.00 O ATOM 0 H SER A 6 -23.050 8.747 3.447 1.00 0.00 H new ATOM 0 HA SER A 6 -21.718 9.013 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.403 10.098 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.435 10.994 0.556 1.00 0.00 H new ATOM 0 HG SER A 6 -24.494 8.349 0.305 1.00 0.00 H new ATOM 59 N GLY A 7 -21.064 11.503 1.460 1.00 0.00 N ATOM 60 CA GLY A 7 -20.312 12.625 1.993 1.00 0.00 C ATOM 61 C GLY A 7 -19.072 12.931 1.177 1.00 0.00 C ATOM 62 O GLY A 7 -18.737 12.200 0.246 1.00 0.00 O ATOM 0 H GLY A 7 -21.154 11.491 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.952 13.507 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.022 12.409 3.021 1.00 0.00 H new ATOM 66 N GLY A 8 -18.389 14.017 1.526 1.00 0.00 N ATOM 67 CA GLY A 8 -17.188 14.401 0.808 1.00 0.00 C ATOM 68 C GLY A 8 -16.353 15.410 1.572 1.00 0.00 C ATOM 69 O GLY A 8 -15.318 15.063 2.143 1.00 0.00 O ATOM 0 H GLY A 8 -18.646 14.638 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.588 13.513 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -17.465 14.821 -0.159 1.00 0.00 H new ATOM 73 N ILE A 9 -16.802 16.660 1.581 1.00 0.00 N ATOM 74 CA ILE A 9 -16.088 17.722 2.280 1.00 0.00 C ATOM 75 C ILE A 9 -14.585 17.466 2.281 1.00 0.00 C ATOM 76 O ILE A 9 -13.916 17.630 3.301 1.00 0.00 O ATOM 77 CB ILE A 9 -16.574 17.864 3.735 1.00 0.00 C ATOM 78 CG1 ILE A 9 -15.971 19.115 4.377 1.00 0.00 C ATOM 79 CG2 ILE A 9 -16.212 16.623 4.537 1.00 0.00 C ATOM 80 CD1 ILE A 9 -16.790 19.658 5.527 1.00 0.00 C ATOM 0 H ILE A 9 -17.656 16.963 1.113 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.296 18.648 1.744 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.659 17.967 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.968 18.883 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.868 19.890 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.562 16.738 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -16.684 15.749 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.130 16.491 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.303 20.544 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.786 19.922 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.872 18.899 6.305 1.00 0.00 H new ATOM 92 N LYS A 10 -14.058 17.064 1.129 1.00 0.00 N ATOM 93 CA LYS A 10 -12.633 16.787 0.994 1.00 0.00 C ATOM 94 C LYS A 10 -12.050 17.512 -0.215 1.00 0.00 C ATOM 95 O LYS A 10 -12.296 17.128 -1.359 1.00 0.00 O ATOM 96 CB LYS A 10 -12.395 15.281 0.863 1.00 0.00 C ATOM 97 CG LYS A 10 -10.954 14.869 1.113 1.00 0.00 C ATOM 98 CD LYS A 10 -10.139 14.883 -0.169 1.00 0.00 C ATOM 99 CE LYS A 10 -10.290 13.581 -0.940 1.00 0.00 C ATOM 100 NZ LYS A 10 -9.120 13.320 -1.823 1.00 0.00 N ATOM 0 H LYS A 10 -14.597 16.923 0.275 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.131 17.151 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.041 14.757 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.687 14.961 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.502 15.545 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.931 13.870 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.458 15.717 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.088 15.046 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.407 12.755 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.198 13.619 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.262 12.424 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.023 14.095 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.257 13.258 -1.246 1.00 0.00 H new ATOM 114 N ASP A 11 -11.277 18.560 0.046 1.00 0.00 N ATOM 115 CA ASP A 11 -10.657 19.337 -1.021 1.00 0.00 C ATOM 116 C ASP A 11 -9.151 19.452 -0.806 1.00 0.00 C ATOM 117 O ASP A 11 -8.692 20.230 0.030 1.00 0.00 O ATOM 118 CB ASP A 11 -11.282 20.731 -1.096 1.00 0.00 C ATOM 119 CG ASP A 11 -11.343 21.411 0.258 1.00 0.00 C ATOM 120 OD1 ASP A 11 -12.019 20.875 1.161 1.00 0.00 O ATOM 121 OD2 ASP A 11 -10.715 22.479 0.415 1.00 0.00 O ATOM 0 H ASP A 11 -11.065 18.891 0.987 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.832 18.818 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.704 21.349 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.289 20.653 -1.506 1.00 0.00 H new ATOM 126 N SER A 12 -8.388 18.672 -1.564 1.00 0.00 N ATOM 127 CA SER A 12 -6.934 18.682 -1.453 1.00 0.00 C ATOM 128 C SER A 12 -6.295 17.931 -2.617 1.00 0.00 C ATOM 129 O SER A 12 -6.891 17.034 -3.212 1.00 0.00 O ATOM 130 CB SER A 12 -6.499 18.057 -0.126 1.00 0.00 C ATOM 131 OG SER A 12 -6.981 16.729 -0.006 1.00 0.00 O ATOM 0 H SER A 12 -8.753 18.024 -2.262 1.00 0.00 H new ATOM 0 HA SER A 12 -6.598 19.719 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.411 18.060 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.872 18.659 0.703 1.00 0.00 H new ATOM 0 HG SER A 12 -6.688 16.351 0.849 1.00 0.00 H new ATOM 137 N PRO A 13 -5.051 18.306 -2.949 1.00 0.00 N ATOM 138 CA PRO A 13 -4.302 17.682 -4.043 1.00 0.00 C ATOM 139 C PRO A 13 -3.889 16.250 -3.720 1.00 0.00 C ATOM 140 O PRO A 13 -3.836 15.856 -2.555 1.00 0.00 O ATOM 141 CB PRO A 13 -3.067 18.575 -4.184 1.00 0.00 C ATOM 142 CG PRO A 13 -2.894 19.196 -2.840 1.00 0.00 C ATOM 143 CD PRO A 13 -4.279 19.369 -2.282 1.00 0.00 C ATOM 0 HA PRO A 13 -4.897 17.608 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.189 17.995 -4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.212 19.332 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.289 18.562 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.382 20.155 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.293 19.256 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.681 20.357 -2.504 1.00 0.00 H new ATOM 151 N VAL A 14 -3.596 15.474 -4.759 1.00 0.00 N ATOM 152 CA VAL A 14 -3.186 14.086 -4.585 1.00 0.00 C ATOM 153 C VAL A 14 -1.765 13.996 -4.039 1.00 0.00 C ATOM 154 O VAL A 14 -0.850 14.636 -4.556 1.00 0.00 O ATOM 155 CB VAL A 14 -3.265 13.307 -5.911 1.00 0.00 C ATOM 156 CG1 VAL A 14 -2.727 14.149 -7.058 1.00 0.00 C ATOM 157 CG2 VAL A 14 -2.506 11.992 -5.803 1.00 0.00 C ATOM 0 H VAL A 14 -3.635 15.783 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.876 13.640 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.311 13.081 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.791 13.582 -7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.317 15.061 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.687 14.408 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.573 11.455 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.460 12.194 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.941 11.385 -5.010 1.00 0.00 H new ATOM 167 N ASN A 15 -1.589 13.198 -2.991 1.00 0.00 N ATOM 168 CA ASN A 15 -0.278 13.025 -2.375 1.00 0.00 C ATOM 169 C ASN A 15 0.094 11.547 -2.295 1.00 0.00 C ATOM 170 O ASN A 15 -0.737 10.703 -1.961 1.00 0.00 O ATOM 171 CB ASN A 15 -0.265 13.642 -0.975 1.00 0.00 C ATOM 172 CG ASN A 15 -0.490 15.141 -1.002 1.00 0.00 C ATOM 173 OD1 ASN A 15 -1.332 15.667 -0.274 1.00 0.00 O ATOM 174 ND2 ASN A 15 0.265 15.837 -1.843 1.00 0.00 N ATOM 0 H ASN A 15 -2.336 12.661 -2.551 1.00 0.00 H new ATOM 0 HA ASN A 15 0.459 13.534 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.038 13.172 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.691 13.429 -0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.160 16.850 -1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.951 15.359 -2.428 1.00 0.00 H new ATOM 181 N LYS A 16 1.350 11.242 -2.604 1.00 0.00 N ATOM 182 CA LYS A 16 1.836 9.868 -2.566 1.00 0.00 C ATOM 183 C LYS A 16 2.543 9.577 -1.247 1.00 0.00 C ATOM 184 O LYS A 16 3.337 10.385 -0.765 1.00 0.00 O ATOM 185 CB LYS A 16 2.788 9.610 -3.736 1.00 0.00 C ATOM 186 CG LYS A 16 3.052 8.136 -3.991 1.00 0.00 C ATOM 187 CD LYS A 16 1.845 7.453 -4.612 1.00 0.00 C ATOM 188 CE LYS A 16 1.770 5.986 -4.218 1.00 0.00 C ATOM 189 NZ LYS A 16 0.582 5.312 -4.810 1.00 0.00 N ATOM 0 H LYS A 16 2.050 11.929 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 16 0.977 9.202 -2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.371 10.057 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.736 10.112 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.912 8.028 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.307 7.643 -3.053 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.935 7.963 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.897 7.537 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.677 5.476 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.730 5.903 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.136 4.703 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.101 6.029 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.880 4.733 -5.621 1.00 0.00 H new ATOM 203 N VAL A 17 2.251 8.417 -0.667 1.00 0.00 N ATOM 204 CA VAL A 17 2.861 8.018 0.596 1.00 0.00 C ATOM 205 C VAL A 17 4.369 7.848 0.448 1.00 0.00 C ATOM 206 O VAL A 17 5.145 8.434 1.202 1.00 0.00 O ATOM 207 CB VAL A 17 2.256 6.702 1.120 1.00 0.00 C ATOM 208 CG1 VAL A 17 0.766 6.864 1.378 1.00 0.00 C ATOM 209 CG2 VAL A 17 2.515 5.568 0.139 1.00 0.00 C ATOM 0 H VAL A 17 1.596 7.737 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 17 2.656 8.814 1.312 1.00 0.00 H new ATOM 0 HB VAL A 17 2.739 6.452 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.356 5.924 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.608 7.646 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.264 7.139 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.081 4.646 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.061 5.808 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.589 5.437 0.010 1.00 0.00 H new ATOM 219 N GLU A 18 4.775 7.043 -0.529 1.00 0.00 N ATOM 220 CA GLU A 18 6.191 6.797 -0.774 1.00 0.00 C ATOM 221 C GLU A 18 6.425 6.361 -2.218 1.00 0.00 C ATOM 222 O GLU A 18 5.504 5.959 -2.929 1.00 0.00 O ATOM 223 CB GLU A 18 6.720 5.727 0.184 1.00 0.00 C ATOM 224 CG GLU A 18 7.364 6.298 1.437 1.00 0.00 C ATOM 225 CD GLU A 18 7.201 5.391 2.641 1.00 0.00 C ATOM 226 OE1 GLU A 18 6.139 4.745 2.759 1.00 0.00 O ATOM 227 OE2 GLU A 18 8.136 5.328 3.466 1.00 0.00 O ATOM 0 H GLU A 18 4.145 6.551 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 18 6.730 7.728 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.898 5.072 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.449 5.110 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.425 6.464 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.923 7.270 1.657 1.00 0.00 H new ATOM 234 N PRO A 19 7.688 6.443 -2.663 1.00 0.00 N ATOM 235 CA PRO A 19 8.073 6.062 -4.025 1.00 0.00 C ATOM 236 C PRO A 19 7.987 4.557 -4.253 1.00 0.00 C ATOM 237 O PRO A 19 8.333 4.061 -5.324 1.00 0.00 O ATOM 238 CB PRO A 19 9.525 6.536 -4.129 1.00 0.00 C ATOM 239 CG PRO A 19 10.020 6.550 -2.724 1.00 0.00 C ATOM 240 CD PRO A 19 8.836 6.913 -1.871 1.00 0.00 C ATOM 0 HA PRO A 19 7.412 6.501 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.117 5.865 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.587 7.526 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.420 5.576 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.826 7.274 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.878 6.426 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.786 7.987 -1.689 1.00 0.00 H new ATOM 248 N ASN A 20 7.523 3.835 -3.237 1.00 0.00 N ATOM 249 CA ASN A 20 7.392 2.385 -3.327 1.00 0.00 C ATOM 250 C ASN A 20 6.077 1.999 -3.996 1.00 0.00 C ATOM 251 O ASN A 20 5.568 0.896 -3.797 1.00 0.00 O ATOM 252 CB ASN A 20 7.472 1.758 -1.934 1.00 0.00 C ATOM 253 CG ASN A 20 8.902 1.558 -1.471 1.00 0.00 C ATOM 254 OD1 ASN A 20 9.268 0.481 -1.000 1.00 0.00 O ATOM 255 ND2 ASN A 20 9.718 2.597 -1.604 1.00 0.00 N ATOM 0 H ASN A 20 7.232 4.230 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 20 8.214 2.007 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.948 2.395 -1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.958 0.797 -1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.692 2.521 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.371 3.471 -2.000 1.00 0.00 H new ATOM 262 N ASP A 21 5.533 2.914 -4.791 1.00 0.00 N ATOM 263 CA ASP A 21 4.277 2.669 -5.492 1.00 0.00 C ATOM 264 C ASP A 21 4.267 1.277 -6.118 1.00 0.00 C ATOM 265 O ASP A 21 3.254 0.578 -6.088 1.00 0.00 O ATOM 266 CB ASP A 21 4.056 3.729 -6.572 1.00 0.00 C ATOM 267 CG ASP A 21 2.959 3.344 -7.544 1.00 0.00 C ATOM 268 OD1 ASP A 21 1.784 3.669 -7.273 1.00 0.00 O ATOM 269 OD2 ASP A 21 3.275 2.719 -8.578 1.00 0.00 O ATOM 0 H ASP A 21 5.942 3.832 -4.966 1.00 0.00 H new ATOM 0 HA ASP A 21 3.466 2.727 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.802 4.678 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.985 3.884 -7.120 1.00 0.00 H new ATOM 274 N THR A 22 5.402 0.881 -6.686 1.00 0.00 N ATOM 275 CA THR A 22 5.523 -0.425 -7.321 1.00 0.00 C ATOM 276 C THR A 22 4.692 -1.472 -6.589 1.00 0.00 C ATOM 277 O THR A 22 4.164 -2.401 -7.202 1.00 0.00 O ATOM 278 CB THR A 22 6.990 -0.892 -7.369 1.00 0.00 C ATOM 279 OG1 THR A 22 7.711 -0.145 -8.355 1.00 0.00 O ATOM 280 CG2 THR A 22 7.075 -2.377 -7.689 1.00 0.00 C ATOM 0 H THR A 22 6.250 1.446 -6.719 1.00 0.00 H new ATOM 0 HA THR A 22 5.150 -0.317 -8.339 1.00 0.00 H new ATOM 0 HB THR A 22 7.434 -0.721 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.657 -0.401 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.121 -2.684 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.551 -2.945 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.614 -2.567 -8.658 1.00 0.00 H new ATOM 288 N LEU A 23 4.578 -1.316 -5.275 1.00 0.00 N ATOM 289 CA LEU A 23 3.809 -2.249 -4.458 1.00 0.00 C ATOM 290 C LEU A 23 2.317 -2.128 -4.751 1.00 0.00 C ATOM 291 O LEU A 23 1.639 -3.127 -4.988 1.00 0.00 O ATOM 292 CB LEU A 23 4.071 -1.992 -2.972 1.00 0.00 C ATOM 293 CG LEU A 23 5.388 -2.537 -2.419 1.00 0.00 C ATOM 294 CD1 LEU A 23 6.539 -2.205 -3.357 1.00 0.00 C ATOM 295 CD2 LEU A 23 5.653 -1.980 -1.028 1.00 0.00 C ATOM 0 H LEU A 23 5.008 -0.553 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 23 4.129 -3.261 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.045 -0.916 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.252 -2.426 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 23 5.308 -3.622 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.468 -2.601 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.353 -2.653 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.621 -1.123 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.594 -2.378 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.713 -0.893 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.842 -2.269 -0.360 1.00 0.00 H new ATOM 307 N GLU A 24 1.814 -0.897 -4.735 1.00 0.00 N ATOM 308 CA GLU A 24 0.403 -0.646 -5.001 1.00 0.00 C ATOM 309 C GLU A 24 -0.137 -1.623 -6.043 1.00 0.00 C ATOM 310 O GLU A 24 -1.296 -2.034 -5.984 1.00 0.00 O ATOM 311 CB GLU A 24 0.199 0.792 -5.481 1.00 0.00 C ATOM 312 CG GLU A 24 -1.208 1.074 -5.980 1.00 0.00 C ATOM 313 CD GLU A 24 -1.249 2.177 -7.020 1.00 0.00 C ATOM 314 OE1 GLU A 24 -0.773 1.943 -8.151 1.00 0.00 O ATOM 315 OE2 GLU A 24 -1.755 3.274 -6.703 1.00 0.00 O ATOM 0 H GLU A 24 2.363 -0.059 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.147 -0.792 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.429 1.475 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.908 1.003 -6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.628 0.163 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.840 1.352 -5.136 1.00 0.00 H new ATOM 322 N LYS A 25 0.713 -1.990 -6.997 1.00 0.00 N ATOM 323 CA LYS A 25 0.324 -2.918 -8.052 1.00 0.00 C ATOM 324 C LYS A 25 0.261 -4.347 -7.523 1.00 0.00 C ATOM 325 O LYS A 25 -0.815 -4.938 -7.428 1.00 0.00 O ATOM 326 CB LYS A 25 1.311 -2.837 -9.219 1.00 0.00 C ATOM 327 CG LYS A 25 0.968 -1.759 -10.232 1.00 0.00 C ATOM 328 CD LYS A 25 1.908 -1.795 -11.425 1.00 0.00 C ATOM 329 CE LYS A 25 3.274 -1.224 -11.077 1.00 0.00 C ATOM 330 NZ LYS A 25 3.290 0.263 -11.158 1.00 0.00 N ATOM 0 H LYS A 25 1.676 -1.659 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.668 -2.636 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.310 -2.650 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.343 -3.802 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.059 -1.892 -10.573 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.021 -0.780 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.020 -2.823 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.474 -1.227 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.552 -1.536 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.022 -1.633 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.238 0.614 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.049 0.561 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.594 0.654 -10.492 1.00 0.00 H new ATOM 344 N VAL A 26 1.421 -4.898 -7.180 1.00 0.00 N ATOM 345 CA VAL A 26 1.497 -6.257 -6.658 1.00 0.00 C ATOM 346 C VAL A 26 0.396 -6.516 -5.636 1.00 0.00 C ATOM 347 O VAL A 26 -0.177 -7.605 -5.587 1.00 0.00 O ATOM 348 CB VAL A 26 2.864 -6.532 -6.004 1.00 0.00 C ATOM 349 CG1 VAL A 26 2.816 -6.223 -4.515 1.00 0.00 C ATOM 350 CG2 VAL A 26 3.290 -7.972 -6.244 1.00 0.00 C ATOM 0 H VAL A 26 2.321 -4.424 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 26 1.367 -6.929 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 26 3.604 -5.877 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.791 -6.423 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.559 -5.174 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.063 -6.850 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.258 -8.148 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.550 -8.647 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.368 -8.155 -7.316 1.00 0.00 H new ATOM 360 N PHE A 27 0.104 -5.508 -4.821 1.00 0.00 N ATOM 361 CA PHE A 27 -0.929 -5.626 -3.799 1.00 0.00 C ATOM 362 C PHE A 27 -2.224 -6.173 -4.394 1.00 0.00 C ATOM 363 O PHE A 27 -2.838 -7.085 -3.841 1.00 0.00 O ATOM 364 CB PHE A 27 -1.189 -4.266 -3.147 1.00 0.00 C ATOM 365 CG PHE A 27 -2.460 -4.218 -2.348 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.678 -3.997 -2.972 1.00 0.00 C ATOM 367 CD2 PHE A 27 -2.438 -4.393 -0.974 1.00 0.00 C ATOM 368 CE1 PHE A 27 -4.849 -3.951 -2.239 1.00 0.00 C ATOM 369 CE2 PHE A 27 -3.606 -4.349 -0.236 1.00 0.00 C ATOM 370 CZ PHE A 27 -4.813 -4.128 -0.870 1.00 0.00 C ATOM 0 H PHE A 27 0.568 -4.600 -4.848 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.575 -6.324 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.351 -4.018 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.228 -3.501 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.712 -3.859 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.497 -4.566 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.792 -3.777 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.575 -4.487 0.835 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.727 -4.094 -0.296 1.00 0.00 H new ATOM 380 N VAL A 28 -2.633 -5.607 -5.525 1.00 0.00 N ATOM 381 CA VAL A 28 -3.854 -6.037 -6.197 1.00 0.00 C ATOM 382 C VAL A 28 -3.536 -6.832 -7.458 1.00 0.00 C ATOM 383 O VAL A 28 -4.432 -7.179 -8.229 1.00 0.00 O ATOM 384 CB VAL A 28 -4.742 -4.836 -6.571 1.00 0.00 C ATOM 385 CG1 VAL A 28 -3.953 -3.822 -7.386 1.00 0.00 C ATOM 386 CG2 VAL A 28 -5.974 -5.301 -7.331 1.00 0.00 C ATOM 0 H VAL A 28 -2.137 -4.850 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.394 -6.674 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.072 -4.350 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.597 -2.980 -7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.105 -3.466 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.591 -4.292 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.590 -4.439 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.667 -5.812 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.549 -5.986 -6.708 1.00 0.00 H new ATOM 396 N SER A 29 -2.254 -7.119 -7.663 1.00 0.00 N ATOM 397 CA SER A 29 -1.817 -7.871 -8.834 1.00 0.00 C ATOM 398 C SER A 29 -1.545 -9.329 -8.473 1.00 0.00 C ATOM 399 O SER A 29 -2.009 -10.245 -9.151 1.00 0.00 O ATOM 400 CB SER A 29 -0.558 -7.239 -9.431 1.00 0.00 C ATOM 401 OG SER A 29 -0.509 -7.430 -10.835 1.00 0.00 O ATOM 0 H SER A 29 -1.500 -6.842 -7.034 1.00 0.00 H new ATOM 0 HA SER A 29 -2.617 -7.841 -9.574 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.540 -6.173 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.327 -7.678 -8.970 1.00 0.00 H new ATOM 0 HG SER A 29 0.304 -7.016 -11.193 1.00 0.00 H new ATOM 407 N VAL A 30 -0.790 -9.535 -7.399 1.00 0.00 N ATOM 408 CA VAL A 30 -0.456 -10.880 -6.945 1.00 0.00 C ATOM 409 C VAL A 30 -1.190 -11.222 -5.653 1.00 0.00 C ATOM 410 O VAL A 30 -1.737 -12.316 -5.507 1.00 0.00 O ATOM 411 CB VAL A 30 1.059 -11.036 -6.718 1.00 0.00 C ATOM 412 CG1 VAL A 30 1.836 -10.495 -7.909 1.00 0.00 C ATOM 413 CG2 VAL A 30 1.480 -10.337 -5.435 1.00 0.00 C ATOM 0 H VAL A 30 -0.398 -8.787 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.771 -11.566 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 30 1.286 -12.097 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.905 -10.614 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.555 -11.045 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.606 -9.438 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.554 -10.458 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.240 -9.276 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.949 -10.776 -4.590 1.00 0.00 H new ATOM 423 N THR A 31 -1.199 -10.279 -4.716 1.00 0.00 N ATOM 424 CA THR A 31 -1.866 -10.480 -3.436 1.00 0.00 C ATOM 425 C THR A 31 -1.845 -9.206 -2.600 1.00 0.00 C ATOM 426 O THR A 31 -0.879 -8.444 -2.633 1.00 0.00 O ATOM 427 CB THR A 31 -1.208 -11.618 -2.633 1.00 0.00 C ATOM 428 OG1 THR A 31 -1.991 -11.914 -1.471 1.00 0.00 O ATOM 429 CG2 THR A 31 0.205 -11.239 -2.215 1.00 0.00 C ATOM 0 H THR A 31 -0.752 -9.368 -4.820 1.00 0.00 H new ATOM 0 HA THR A 31 -2.899 -10.750 -3.656 1.00 0.00 H new ATOM 0 HB THR A 31 -1.157 -12.500 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.567 -12.640 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.649 -12.058 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.807 -11.043 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.173 -10.344 -1.593 1.00 0.00 H new ATOM 437 N LYS A 32 -2.918 -8.980 -1.849 1.00 0.00 N ATOM 438 CA LYS A 32 -3.023 -7.798 -1.001 1.00 0.00 C ATOM 439 C LYS A 32 -2.171 -7.952 0.255 1.00 0.00 C ATOM 440 O LYS A 32 -1.683 -6.967 0.810 1.00 0.00 O ATOM 441 CB LYS A 32 -4.483 -7.552 -0.613 1.00 0.00 C ATOM 442 CG LYS A 32 -5.392 -7.288 -1.800 1.00 0.00 C ATOM 443 CD LYS A 32 -6.843 -7.595 -1.472 1.00 0.00 C ATOM 444 CE LYS A 32 -7.794 -6.736 -2.291 1.00 0.00 C ATOM 445 NZ LYS A 32 -9.126 -6.605 -1.637 1.00 0.00 N ATOM 0 H LYS A 32 -3.727 -9.600 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.654 -6.942 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.856 -8.418 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.531 -6.701 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.300 -6.246 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.073 -7.897 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.045 -8.649 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.021 -7.425 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.360 -5.746 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.917 -7.174 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.745 -6.012 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.552 -7.547 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.012 -6.164 -0.702 1.00 0.00 H new ATOM 459 N TYR A 33 -1.996 -9.192 0.697 1.00 0.00 N ATOM 460 CA TYR A 33 -1.204 -9.474 1.888 1.00 0.00 C ATOM 461 C TYR A 33 -0.008 -10.360 1.550 1.00 0.00 C ATOM 462 O TYR A 33 -0.030 -11.576 1.743 1.00 0.00 O ATOM 463 CB TYR A 33 -2.069 -10.150 2.954 1.00 0.00 C ATOM 464 CG TYR A 33 -3.107 -9.234 3.561 1.00 0.00 C ATOM 465 CD1 TYR A 33 -4.096 -8.654 2.775 1.00 0.00 C ATOM 466 CD2 TYR A 33 -3.100 -8.949 4.921 1.00 0.00 C ATOM 467 CE1 TYR A 33 -5.046 -7.817 3.326 1.00 0.00 C ATOM 468 CE2 TYR A 33 -4.048 -8.114 5.480 1.00 0.00 C ATOM 469 CZ TYR A 33 -5.018 -7.549 4.679 1.00 0.00 C ATOM 470 OH TYR A 33 -5.964 -6.716 5.231 1.00 0.00 O ATOM 0 H TYR A 33 -2.392 -10.018 0.248 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.833 -8.527 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.570 -11.011 2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.424 -10.530 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.122 -8.862 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.341 -9.388 5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.807 -7.374 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.030 -7.905 6.539 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.804 -6.632 6.194 1.00 0.00 H new ATOM 480 N PRO A 34 1.061 -9.737 1.033 1.00 0.00 N ATOM 481 CA PRO A 34 2.287 -10.448 0.658 1.00 0.00 C ATOM 482 C PRO A 34 3.052 -10.965 1.872 1.00 0.00 C ATOM 483 O PRO A 34 2.849 -10.495 2.992 1.00 0.00 O ATOM 484 CB PRO A 34 3.105 -9.382 -0.076 1.00 0.00 C ATOM 485 CG PRO A 34 2.614 -8.086 0.471 1.00 0.00 C ATOM 486 CD PRO A 34 1.156 -8.290 0.776 1.00 0.00 C ATOM 0 HA PRO A 34 2.077 -11.333 0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.173 -9.509 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.954 -9.440 -1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.165 -7.808 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.753 -7.281 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.841 -7.707 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.524 -7.988 -0.059 1.00 0.00 H new ATOM 494 N ASP A 35 3.932 -11.933 1.642 1.00 0.00 N ATOM 495 CA ASP A 35 4.729 -12.512 2.717 1.00 0.00 C ATOM 496 C ASP A 35 6.211 -12.209 2.519 1.00 0.00 C ATOM 497 O ASP A 35 6.651 -11.918 1.408 1.00 0.00 O ATOM 498 CB ASP A 35 4.510 -14.024 2.785 1.00 0.00 C ATOM 499 CG ASP A 35 3.042 -14.394 2.871 1.00 0.00 C ATOM 500 OD1 ASP A 35 2.393 -14.497 1.809 1.00 0.00 O ATOM 501 OD2 ASP A 35 2.542 -14.580 4.000 1.00 0.00 O ATOM 0 H ASP A 35 4.111 -12.333 0.721 1.00 0.00 H new ATOM 0 HA ASP A 35 4.407 -12.063 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.948 -14.492 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.034 -14.425 3.652 1.00 0.00 H new ATOM 506 N GLU A 36 6.974 -12.279 3.605 1.00 0.00 N ATOM 507 CA GLU A 36 8.406 -12.009 3.550 1.00 0.00 C ATOM 508 C GLU A 36 9.011 -12.546 2.256 1.00 0.00 C ATOM 509 O GLU A 36 9.858 -11.900 1.638 1.00 0.00 O ATOM 510 CB GLU A 36 9.113 -12.636 4.754 1.00 0.00 C ATOM 511 CG GLU A 36 10.628 -12.564 4.676 1.00 0.00 C ATOM 512 CD GLU A 36 11.308 -13.436 5.714 1.00 0.00 C ATOM 513 OE1 GLU A 36 11.073 -14.662 5.706 1.00 0.00 O ATOM 514 OE2 GLU A 36 12.075 -12.890 6.535 1.00 0.00 O ATOM 0 H GLU A 36 6.625 -12.520 4.533 1.00 0.00 H new ATOM 0 HA GLU A 36 8.547 -10.929 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.780 -12.133 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.811 -13.680 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.952 -12.870 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.946 -11.530 4.811 1.00 0.00 H new ATOM 521 N LYS A 37 8.571 -13.732 1.851 1.00 0.00 N ATOM 522 CA LYS A 37 9.066 -14.357 0.630 1.00 0.00 C ATOM 523 C LYS A 37 9.226 -13.326 -0.483 1.00 0.00 C ATOM 524 O LYS A 37 10.263 -13.267 -1.142 1.00 0.00 O ATOM 525 CB LYS A 37 8.115 -15.468 0.179 1.00 0.00 C ATOM 526 CG LYS A 37 6.769 -14.956 -0.304 1.00 0.00 C ATOM 527 CD LYS A 37 5.761 -16.085 -0.443 1.00 0.00 C ATOM 528 CE LYS A 37 5.927 -16.820 -1.764 1.00 0.00 C ATOM 529 NZ LYS A 37 5.328 -16.064 -2.899 1.00 0.00 N ATOM 0 H LYS A 37 7.872 -14.281 2.351 1.00 0.00 H new ATOM 0 HA LYS A 37 10.044 -14.789 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.587 -16.036 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.956 -16.158 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.389 -14.212 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.892 -14.456 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.882 -16.786 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.750 -15.683 -0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.987 -16.985 -1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.459 -17.802 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.447 -16.606 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.315 -15.913 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.803 -15.144 -2.993 1.00 0.00 H new ATOM 543 N ARG A 38 8.192 -12.516 -0.685 1.00 0.00 N ATOM 544 CA ARG A 38 8.218 -11.487 -1.718 1.00 0.00 C ATOM 545 C ARG A 38 9.092 -10.311 -1.292 1.00 0.00 C ATOM 546 O ARG A 38 9.897 -9.806 -2.076 1.00 0.00 O ATOM 547 CB ARG A 38 6.799 -11.000 -2.019 1.00 0.00 C ATOM 548 CG ARG A 38 6.606 -10.534 -3.452 1.00 0.00 C ATOM 549 CD ARG A 38 5.132 -10.437 -3.813 1.00 0.00 C ATOM 550 NE ARG A 38 4.899 -10.692 -5.232 1.00 0.00 N ATOM 551 CZ ARG A 38 5.077 -11.877 -5.806 1.00 0.00 C ATOM 552 NH1 ARG A 38 5.489 -12.911 -5.084 1.00 0.00 N ATOM 553 NH2 ARG A 38 4.844 -12.030 -7.103 1.00 0.00 N ATOM 0 H ARG A 38 7.326 -12.552 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 38 8.643 -11.925 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.096 -11.806 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.554 -10.180 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.079 -9.561 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.103 -11.227 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.565 -11.153 -3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.760 -9.445 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 38 4.582 -9.917 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.670 -12.797 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.625 -13.820 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.528 -11.237 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.981 -12.940 -7.542 1.00 0.00 H new ATOM 567 N LEU A 39 8.927 -9.879 -0.047 1.00 0.00 N ATOM 568 CA LEU A 39 9.700 -8.762 0.484 1.00 0.00 C ATOM 569 C LEU A 39 11.178 -8.906 0.133 1.00 0.00 C ATOM 570 O LEU A 39 11.864 -7.919 -0.134 1.00 0.00 O ATOM 571 CB LEU A 39 9.531 -8.674 2.001 1.00 0.00 C ATOM 572 CG LEU A 39 8.202 -8.103 2.496 1.00 0.00 C ATOM 573 CD1 LEU A 39 8.077 -6.635 2.117 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.035 -8.901 1.934 1.00 0.00 C ATOM 0 H LEU A 39 8.265 -10.285 0.614 1.00 0.00 H new ATOM 0 HA LEU A 39 9.325 -7.845 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.652 -9.674 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.339 -8.061 2.402 1.00 0.00 H new ATOM 0 HG LEU A 39 8.179 -8.180 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.125 -6.246 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.894 -6.072 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.123 -6.534 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.098 -8.480 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.055 -8.857 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.115 -9.939 2.256 1.00 0.00 H new ATOM 586 N LYS A 40 11.662 -10.144 0.133 1.00 0.00 N ATOM 587 CA LYS A 40 13.057 -10.420 -0.189 1.00 0.00 C ATOM 588 C LYS A 40 13.474 -9.699 -1.467 1.00 0.00 C ATOM 589 O LYS A 40 14.559 -9.124 -1.541 1.00 0.00 O ATOM 590 CB LYS A 40 13.277 -11.926 -0.346 1.00 0.00 C ATOM 591 CG LYS A 40 13.642 -12.626 0.952 1.00 0.00 C ATOM 592 CD LYS A 40 14.296 -13.973 0.694 1.00 0.00 C ATOM 593 CE LYS A 40 15.691 -13.813 0.110 1.00 0.00 C ATOM 594 NZ LYS A 40 16.441 -15.099 0.102 1.00 0.00 N ATOM 0 H LYS A 40 11.108 -10.972 0.353 1.00 0.00 H new ATOM 0 HA LYS A 40 13.673 -10.052 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.371 -12.377 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.069 -12.095 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.320 -11.996 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.745 -12.766 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.353 -14.535 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.678 -14.553 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.617 -13.430 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.244 -13.074 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.387 -14.947 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.535 -15.452 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.926 -15.797 -0.472 1.00 0.00 H new ATOM 608 N GLY A 41 12.603 -9.732 -2.471 1.00 0.00 N ATOM 609 CA GLY A 41 12.899 -9.076 -3.731 1.00 0.00 C ATOM 610 C GLY A 41 12.815 -7.566 -3.633 1.00 0.00 C ATOM 611 O GLY A 41 13.816 -6.868 -3.807 1.00 0.00 O ATOM 0 H GLY A 41 11.698 -10.201 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.899 -9.361 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.202 -9.427 -4.492 1.00 0.00 H new ATOM 615 N LEU A 42 11.620 -7.058 -3.355 1.00 0.00 N ATOM 616 CA LEU A 42 11.408 -5.620 -3.236 1.00 0.00 C ATOM 617 C LEU A 42 12.521 -4.972 -2.418 1.00 0.00 C ATOM 618 O LEU A 42 13.000 -3.888 -2.751 1.00 0.00 O ATOM 619 CB LEU A 42 10.052 -5.336 -2.588 1.00 0.00 C ATOM 620 CG LEU A 42 8.823 -5.628 -3.449 1.00 0.00 C ATOM 621 CD1 LEU A 42 7.587 -5.793 -2.577 1.00 0.00 C ATOM 622 CD2 LEU A 42 8.612 -4.520 -4.471 1.00 0.00 C ATOM 0 H LEU A 42 10.782 -7.621 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 42 11.421 -5.191 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.978 -5.925 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.024 -4.287 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 42 8.992 -6.562 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.722 -6.000 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.738 -6.621 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.414 -4.876 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.733 -4.745 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.465 -3.572 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.487 -4.449 -5.117 1.00 0.00 H new ATOM 634 N SER A 43 12.929 -5.644 -1.346 1.00 0.00 N ATOM 635 CA SER A 43 13.985 -5.134 -0.480 1.00 0.00 C ATOM 636 C SER A 43 15.133 -4.558 -1.303 1.00 0.00 C ATOM 637 O SER A 43 15.649 -3.481 -1.003 1.00 0.00 O ATOM 638 CB SER A 43 14.505 -6.244 0.435 1.00 0.00 C ATOM 639 OG SER A 43 15.563 -5.777 1.253 1.00 0.00 O ATOM 0 H SER A 43 12.544 -6.543 -1.057 1.00 0.00 H new ATOM 0 HA SER A 43 13.564 -4.336 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.693 -6.614 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.851 -7.084 -0.167 1.00 0.00 H new ATOM 0 HG SER A 43 15.484 -4.807 1.368 1.00 0.00 H new ATOM 645 N LYS A 44 15.528 -5.283 -2.343 1.00 0.00 N ATOM 646 CA LYS A 44 16.614 -4.846 -3.213 1.00 0.00 C ATOM 647 C LYS A 44 16.105 -3.875 -4.273 1.00 0.00 C ATOM 648 O LYS A 44 16.707 -2.828 -4.508 1.00 0.00 O ATOM 649 CB LYS A 44 17.273 -6.053 -3.885 1.00 0.00 C ATOM 650 CG LYS A 44 18.275 -5.676 -4.963 1.00 0.00 C ATOM 651 CD LYS A 44 18.750 -6.897 -5.734 1.00 0.00 C ATOM 652 CE LYS A 44 19.974 -6.580 -6.579 1.00 0.00 C ATOM 653 NZ LYS A 44 19.610 -5.891 -7.848 1.00 0.00 N ATOM 0 H LYS A 44 15.112 -6.177 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 44 17.353 -4.331 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.777 -6.651 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.498 -6.682 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.820 -4.964 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 44 19.130 -5.177 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.986 -7.700 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.947 -7.259 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.657 -5.951 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.507 -7.503 -6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.472 -5.693 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.979 -6.501 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.124 -4.997 -7.631 1.00 0.00 H new ATOM 667 N GLN A 45 14.993 -4.230 -4.909 1.00 0.00 N ATOM 668 CA GLN A 45 14.404 -3.389 -5.944 1.00 0.00 C ATOM 669 C GLN A 45 14.324 -1.936 -5.484 1.00 0.00 C ATOM 670 O GLN A 45 14.848 -1.036 -6.142 1.00 0.00 O ATOM 671 CB GLN A 45 13.008 -3.897 -6.310 1.00 0.00 C ATOM 672 CG GLN A 45 12.413 -3.213 -7.531 1.00 0.00 C ATOM 673 CD GLN A 45 10.899 -3.157 -7.488 1.00 0.00 C ATOM 674 OE1 GLN A 45 10.220 -4.129 -7.821 1.00 0.00 O ATOM 675 NE2 GLN A 45 10.360 -2.015 -7.076 1.00 0.00 N ATOM 0 H GLN A 45 14.482 -5.094 -4.726 1.00 0.00 H new ATOM 0 HA GLN A 45 15.044 -3.438 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.057 -4.970 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.342 -3.749 -5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.808 -2.200 -7.604 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.728 -3.744 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.960 -1.235 -6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.346 -1.918 -7.026 1.00 0.00 H new ATOM 684 N LEU A 46 13.666 -1.714 -4.352 1.00 0.00 N ATOM 685 CA LEU A 46 13.517 -0.371 -3.804 1.00 0.00 C ATOM 686 C LEU A 46 14.526 -0.123 -2.688 1.00 0.00 C ATOM 687 O LEU A 46 14.319 0.735 -1.829 1.00 0.00 O ATOM 688 CB LEU A 46 12.096 -0.168 -3.277 1.00 0.00 C ATOM 689 CG LEU A 46 10.968 -0.384 -4.286 1.00 0.00 C ATOM 690 CD1 LEU A 46 9.678 -0.761 -3.574 1.00 0.00 C ATOM 691 CD2 LEU A 46 10.765 0.863 -5.134 1.00 0.00 C ATOM 0 H LEU A 46 13.227 -2.447 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 46 13.706 0.344 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.941 -0.847 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.017 0.846 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 46 11.249 -1.206 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.887 -0.911 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.829 -1.682 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.392 0.039 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.958 0.691 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.507 1.703 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.684 1.089 -5.674 1.00 0.00 H new ATOM 703 N ASP A 47 15.619 -0.878 -2.707 1.00 0.00 N ATOM 704 CA ASP A 47 16.663 -0.739 -1.698 1.00 0.00 C ATOM 705 C ASP A 47 16.058 -0.459 -0.326 1.00 0.00 C ATOM 706 O ASP A 47 16.541 0.399 0.413 1.00 0.00 O ATOM 707 CB ASP A 47 17.627 0.385 -2.083 1.00 0.00 C ATOM 708 CG ASP A 47 18.820 0.469 -1.151 1.00 0.00 C ATOM 709 OD1 ASP A 47 19.454 -0.579 -0.903 1.00 0.00 O ATOM 710 OD2 ASP A 47 19.120 1.581 -0.671 1.00 0.00 O ATOM 0 H ASP A 47 15.805 -1.593 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 47 17.214 -1.678 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.977 0.226 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.094 1.336 -2.073 1.00 0.00 H new ATOM 715 N TRP A 48 14.999 -1.188 0.008 1.00 0.00 N ATOM 716 CA TRP A 48 14.328 -1.017 1.291 1.00 0.00 C ATOM 717 C TRP A 48 14.535 -2.238 2.181 1.00 0.00 C ATOM 718 O TRP A 48 15.225 -3.184 1.801 1.00 0.00 O ATOM 719 CB TRP A 48 12.833 -0.773 1.079 1.00 0.00 C ATOM 720 CG TRP A 48 12.482 0.677 0.933 1.00 0.00 C ATOM 721 CD1 TRP A 48 13.329 1.695 0.602 1.00 0.00 C ATOM 722 CD2 TRP A 48 11.191 1.269 1.116 1.00 0.00 C ATOM 723 NE1 TRP A 48 12.643 2.885 0.567 1.00 0.00 N ATOM 724 CE2 TRP A 48 11.329 2.650 0.878 1.00 0.00 C ATOM 725 CE3 TRP A 48 9.932 0.766 1.455 1.00 0.00 C ATOM 726 CZ2 TRP A 48 10.256 3.532 0.970 1.00 0.00 C ATOM 727 CZ3 TRP A 48 8.868 1.643 1.546 1.00 0.00 C ATOM 728 CH2 TRP A 48 9.034 3.013 1.304 1.00 0.00 C ATOM 0 H TRP A 48 14.587 -1.903 -0.592 1.00 0.00 H new ATOM 0 HA TRP A 48 14.764 -0.150 1.788 1.00 0.00 H new ATOM 0 HB2 TRP A 48 12.507 -1.310 0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.281 -1.190 1.921 1.00 0.00 H new ATOM 0 HD1 TRP A 48 14.383 1.582 0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 48 13.046 3.795 0.346 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.793 -0.289 1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.383 4.588 0.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.891 1.266 1.808 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.182 3.672 1.382 1.00 0.00 H new ATOM 739 N SER A 49 13.934 -2.210 3.366 1.00 0.00 N ATOM 740 CA SER A 49 14.057 -3.314 4.311 1.00 0.00 C ATOM 741 C SER A 49 12.737 -4.068 4.439 1.00 0.00 C ATOM 742 O SER A 49 11.661 -3.472 4.395 1.00 0.00 O ATOM 743 CB SER A 49 14.496 -2.794 5.681 1.00 0.00 C ATOM 744 OG SER A 49 15.815 -2.279 5.633 1.00 0.00 O ATOM 0 H SER A 49 13.357 -1.435 3.695 1.00 0.00 H new ATOM 0 HA SER A 49 14.813 -4.002 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.810 -2.015 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.443 -3.600 6.413 1.00 0.00 H new ATOM 0 HG SER A 49 16.071 -1.952 6.521 1.00 0.00 H new ATOM 750 N VAL A 50 12.828 -5.385 4.599 1.00 0.00 N ATOM 751 CA VAL A 50 11.643 -6.222 4.735 1.00 0.00 C ATOM 752 C VAL A 50 10.673 -5.640 5.758 1.00 0.00 C ATOM 753 O VAL A 50 9.459 -5.802 5.639 1.00 0.00 O ATOM 754 CB VAL A 50 12.014 -7.657 5.154 1.00 0.00 C ATOM 755 CG1 VAL A 50 12.829 -7.644 6.439 1.00 0.00 C ATOM 756 CG2 VAL A 50 10.762 -8.506 5.316 1.00 0.00 C ATOM 0 H VAL A 50 13.711 -5.895 4.638 1.00 0.00 H new ATOM 0 HA VAL A 50 11.162 -6.250 3.757 1.00 0.00 H new ATOM 0 HB VAL A 50 12.626 -8.100 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.082 -8.666 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.745 -7.073 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.245 -7.183 7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.043 -9.517 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.122 -8.068 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.222 -8.542 4.370 1.00 0.00 H new ATOM 766 N ARG A 51 11.219 -4.963 6.763 1.00 0.00 N ATOM 767 CA ARG A 51 10.402 -4.357 7.807 1.00 0.00 C ATOM 768 C ARG A 51 9.828 -3.022 7.343 1.00 0.00 C ATOM 769 O ARG A 51 8.644 -2.741 7.536 1.00 0.00 O ATOM 770 CB ARG A 51 11.230 -4.154 9.078 1.00 0.00 C ATOM 771 CG ARG A 51 11.664 -5.453 9.736 1.00 0.00 C ATOM 772 CD ARG A 51 12.465 -5.196 11.002 1.00 0.00 C ATOM 773 NE ARG A 51 11.669 -4.526 12.027 1.00 0.00 N ATOM 774 CZ ARG A 51 12.113 -4.273 13.253 1.00 0.00 C ATOM 775 NH1 ARG A 51 13.340 -4.631 13.605 1.00 0.00 N ATOM 776 NH2 ARG A 51 11.329 -3.659 14.130 1.00 0.00 N ATOM 0 H ARG A 51 12.223 -4.821 6.876 1.00 0.00 H new ATOM 0 HA ARG A 51 9.574 -5.033 8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.115 -3.566 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.647 -3.572 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.785 -6.052 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.265 -6.034 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.838 -6.143 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.336 -4.585 10.762 1.00 0.00 H new ATOM 0 HE ARG A 51 10.720 -4.237 11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.946 -5.102 12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.678 -4.435 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.385 -3.381 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.671 -3.465 15.071 1.00 0.00 H new ATOM 790 N LYS A 52 10.674 -2.201 6.730 1.00 0.00 N ATOM 791 CA LYS A 52 10.252 -0.895 6.237 1.00 0.00 C ATOM 792 C LYS A 52 9.118 -1.035 5.227 1.00 0.00 C ATOM 793 O LYS A 52 8.095 -0.358 5.330 1.00 0.00 O ATOM 794 CB LYS A 52 11.433 -0.163 5.595 1.00 0.00 C ATOM 795 CG LYS A 52 11.221 1.335 5.463 1.00 0.00 C ATOM 796 CD LYS A 52 12.364 1.995 4.709 1.00 0.00 C ATOM 797 CE LYS A 52 12.049 3.446 4.380 1.00 0.00 C ATOM 798 NZ LYS A 52 13.019 4.016 3.404 1.00 0.00 N ATOM 0 H LYS A 52 11.657 -2.417 6.563 1.00 0.00 H new ATOM 0 HA LYS A 52 9.890 -0.314 7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.328 -0.344 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.617 -0.584 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.282 1.526 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.133 1.780 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.273 1.946 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.559 1.446 3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.040 3.515 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.064 4.038 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.935 5.053 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.986 3.749 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.814 3.645 2.454 1.00 0.00 H new ATOM 812 N ILE A 53 9.305 -1.919 4.253 1.00 0.00 N ATOM 813 CA ILE A 53 8.296 -2.150 3.226 1.00 0.00 C ATOM 814 C ILE A 53 6.965 -2.560 3.846 1.00 0.00 C ATOM 815 O ILE A 53 5.931 -1.947 3.581 1.00 0.00 O ATOM 816 CB ILE A 53 8.743 -3.237 2.231 1.00 0.00 C ATOM 817 CG1 ILE A 53 10.048 -2.827 1.545 1.00 0.00 C ATOM 818 CG2 ILE A 53 7.654 -3.493 1.201 1.00 0.00 C ATOM 819 CD1 ILE A 53 10.814 -3.991 0.957 1.00 0.00 C ATOM 0 H ILE A 53 10.146 -2.487 4.153 1.00 0.00 H new ATOM 0 HA ILE A 53 8.170 -1.209 2.690 1.00 0.00 H new ATOM 0 HB ILE A 53 8.919 -4.161 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.824 -2.113 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.682 -2.313 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.985 -4.264 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.747 -3.825 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.448 -2.574 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.727 -3.626 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.070 -4.695 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.198 -4.492 0.211 1.00 0.00 H new ATOM 831 N GLN A 54 6.999 -3.599 4.674 1.00 0.00 N ATOM 832 CA GLN A 54 5.795 -4.090 5.333 1.00 0.00 C ATOM 833 C GLN A 54 4.903 -2.933 5.769 1.00 0.00 C ATOM 834 O GLN A 54 3.685 -2.971 5.585 1.00 0.00 O ATOM 835 CB GLN A 54 6.164 -4.950 6.543 1.00 0.00 C ATOM 836 CG GLN A 54 6.631 -6.349 6.175 1.00 0.00 C ATOM 837 CD GLN A 54 5.485 -7.334 6.056 1.00 0.00 C ATOM 838 OE1 GLN A 54 4.321 -6.974 6.231 1.00 0.00 O ATOM 839 NE2 GLN A 54 5.809 -8.586 5.755 1.00 0.00 N ATOM 0 H GLN A 54 7.847 -4.117 4.904 1.00 0.00 H new ATOM 0 HA GLN A 54 5.243 -4.700 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.951 -4.450 7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.299 -5.026 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.172 -6.310 5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.333 -6.704 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.787 -8.841 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.080 -9.293 5.660 1.00 0.00 H new ATOM 848 N CYS A 55 5.515 -1.907 6.349 1.00 0.00 N ATOM 849 CA CYS A 55 4.776 -0.738 6.814 1.00 0.00 C ATOM 850 C CYS A 55 4.000 -0.095 5.669 1.00 0.00 C ATOM 851 O CYS A 55 2.848 0.304 5.835 1.00 0.00 O ATOM 852 CB CYS A 55 5.732 0.282 7.434 1.00 0.00 C ATOM 853 SG CYS A 55 4.945 1.416 8.601 1.00 0.00 S ATOM 0 H CYS A 55 6.521 -1.860 6.509 1.00 0.00 H new ATOM 0 HA CYS A 55 4.065 -1.066 7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.533 -0.251 7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.195 0.862 6.636 1.00 0.00 H new ATOM 0 HG CYS A 55 5.834 2.239 9.073 1.00 0.00 H new ATOM 859 N TRP A 56 4.639 0.002 4.509 1.00 0.00 N ATOM 860 CA TRP A 56 4.009 0.598 3.337 1.00 0.00 C ATOM 861 C TRP A 56 2.732 -0.148 2.966 1.00 0.00 C ATOM 862 O TRP A 56 1.677 0.460 2.783 1.00 0.00 O ATOM 863 CB TRP A 56 4.978 0.594 2.153 1.00 0.00 C ATOM 864 CG TRP A 56 4.459 1.334 0.958 1.00 0.00 C ATOM 865 CD1 TRP A 56 4.800 2.597 0.564 1.00 0.00 C ATOM 866 CD2 TRP A 56 3.506 0.857 0.002 1.00 0.00 C ATOM 867 NE1 TRP A 56 4.115 2.934 -0.578 1.00 0.00 N ATOM 868 CE2 TRP A 56 3.316 1.883 -0.944 1.00 0.00 C ATOM 869 CE3 TRP A 56 2.796 -0.337 -0.148 1.00 0.00 C ATOM 870 CZ2 TRP A 56 2.445 1.749 -2.022 1.00 0.00 C ATOM 871 CZ3 TRP A 56 1.932 -0.468 -1.218 1.00 0.00 C ATOM 872 CH2 TRP A 56 1.762 0.570 -2.144 1.00 0.00 C ATOM 0 H TRP A 56 5.593 -0.324 4.355 1.00 0.00 H new ATOM 0 HA TRP A 56 3.748 1.628 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.923 1.039 2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.189 -0.437 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.504 3.236 1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.189 3.823 -1.073 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.920 -1.143 0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.313 2.548 -2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.378 -1.387 -1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.079 0.437 -2.970 1.00 0.00 H new ATOM 883 N PHE A 57 2.834 -1.469 2.858 1.00 0.00 N ATOM 884 CA PHE A 57 1.686 -2.298 2.509 1.00 0.00 C ATOM 885 C PHE A 57 0.527 -2.055 3.471 1.00 0.00 C ATOM 886 O PHE A 57 -0.604 -1.814 3.049 1.00 0.00 O ATOM 887 CB PHE A 57 2.076 -3.777 2.524 1.00 0.00 C ATOM 888 CG PHE A 57 2.598 -4.273 1.206 1.00 0.00 C ATOM 889 CD1 PHE A 57 1.725 -4.682 0.210 1.00 0.00 C ATOM 890 CD2 PHE A 57 3.960 -4.331 0.963 1.00 0.00 C ATOM 891 CE1 PHE A 57 2.203 -5.139 -1.003 1.00 0.00 C ATOM 892 CE2 PHE A 57 4.444 -4.787 -0.249 1.00 0.00 C ATOM 893 CZ PHE A 57 3.564 -5.191 -1.234 1.00 0.00 C ATOM 0 H PHE A 57 3.699 -1.988 3.007 1.00 0.00 H new ATOM 0 HA PHE A 57 1.363 -2.025 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.835 -3.936 3.290 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.207 -4.371 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.660 -4.643 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.653 -4.016 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.513 -5.456 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.509 -4.827 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.939 -5.547 -2.182 1.00 0.00 H new ATOM 903 N ARG A 58 0.818 -2.121 4.766 1.00 0.00 N ATOM 904 CA ARG A 58 -0.200 -1.911 5.789 1.00 0.00 C ATOM 905 C ARG A 58 -0.886 -0.561 5.604 1.00 0.00 C ATOM 906 O ARG A 58 -2.111 -0.461 5.667 1.00 0.00 O ATOM 907 CB ARG A 58 0.424 -1.992 7.184 1.00 0.00 C ATOM 908 CG ARG A 58 0.712 -3.412 7.641 1.00 0.00 C ATOM 909 CD ARG A 58 0.852 -3.493 9.153 1.00 0.00 C ATOM 910 NE ARG A 58 1.428 -4.765 9.582 1.00 0.00 N ATOM 911 CZ ARG A 58 1.385 -5.206 10.834 1.00 0.00 C ATOM 912 NH1 ARG A 58 0.794 -4.483 11.775 1.00 0.00 N ATOM 913 NH2 ARG A 58 1.932 -6.374 11.147 1.00 0.00 N ATOM 0 H ARG A 58 1.750 -2.318 5.132 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.949 -2.696 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.353 -1.422 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.246 -1.518 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.092 -4.071 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.628 -3.768 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.480 -2.674 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.127 -3.364 9.615 1.00 0.00 H new ATOM 0 HE ARG A 58 1.888 -5.346 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.371 -3.586 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.762 -4.824 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.386 -6.934 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.898 -6.712 12.109 1.00 0.00 H new ATOM 927 N HIS A 59 -0.086 0.477 5.377 1.00 0.00 N ATOM 928 CA HIS A 59 -0.616 1.822 5.183 1.00 0.00 C ATOM 929 C HIS A 59 -1.493 1.886 3.936 1.00 0.00 C ATOM 930 O HIS A 59 -2.624 2.370 3.985 1.00 0.00 O ATOM 931 CB HIS A 59 0.526 2.832 5.070 1.00 0.00 C ATOM 932 CG HIS A 59 0.155 4.210 5.522 1.00 0.00 C ATOM 933 ND1 HIS A 59 0.184 5.309 4.689 1.00 0.00 N ATOM 934 CD2 HIS A 59 -0.258 4.665 6.728 1.00 0.00 C ATOM 935 CE1 HIS A 59 -0.193 6.380 5.363 1.00 0.00 C ATOM 936 NE2 HIS A 59 -0.467 6.017 6.603 1.00 0.00 N ATOM 0 H HIS A 59 0.931 0.412 5.323 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.228 2.073 6.049 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.371 2.480 5.662 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.859 2.876 4.033 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.397 4.075 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.265 7.382 4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.783 6.639 7.347 1.00 0.00 H new ATOM 945 N ARG A 60 -0.963 1.395 2.820 1.00 0.00 N ATOM 946 CA ARG A 60 -1.697 1.399 1.561 1.00 0.00 C ATOM 947 C ARG A 60 -3.164 1.044 1.785 1.00 0.00 C ATOM 948 O ARG A 60 -4.058 1.828 1.466 1.00 0.00 O ATOM 949 CB ARG A 60 -1.067 0.411 0.576 1.00 0.00 C ATOM 950 CG ARG A 60 -1.829 0.288 -0.733 1.00 0.00 C ATOM 951 CD ARG A 60 -1.804 1.590 -1.517 1.00 0.00 C ATOM 952 NE ARG A 60 -2.673 1.539 -2.690 1.00 0.00 N ATOM 953 CZ ARG A 60 -2.979 2.603 -3.424 1.00 0.00 C ATOM 954 NH1 ARG A 60 -2.490 3.794 -3.108 1.00 0.00 N ATOM 955 NH2 ARG A 60 -3.777 2.477 -4.478 1.00 0.00 N ATOM 0 H ARG A 60 -0.029 0.990 2.763 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.644 2.404 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.045 0.724 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.008 -0.571 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.393 -0.509 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.862 0.005 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.117 2.409 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.783 1.804 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.066 0.637 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.877 3.895 -2.299 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.727 4.609 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.156 1.563 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.011 3.295 -5.041 1.00 0.00 H new ATOM 969 N ARG A 61 -3.403 -0.142 2.335 1.00 0.00 N ATOM 970 CA ARG A 61 -4.761 -0.601 2.600 1.00 0.00 C ATOM 971 C ARG A 61 -5.621 0.533 3.150 1.00 0.00 C ATOM 972 O ARG A 61 -6.688 0.831 2.616 1.00 0.00 O ATOM 973 CB ARG A 61 -4.744 -1.768 3.589 1.00 0.00 C ATOM 974 CG ARG A 61 -4.048 -3.009 3.055 1.00 0.00 C ATOM 975 CD ARG A 61 -4.040 -4.130 4.082 1.00 0.00 C ATOM 976 NE ARG A 61 -3.236 -3.793 5.254 1.00 0.00 N ATOM 977 CZ ARG A 61 -3.701 -3.101 6.289 1.00 0.00 C ATOM 978 NH1 ARG A 61 -4.957 -2.677 6.297 1.00 0.00 N ATOM 979 NH2 ARG A 61 -2.908 -2.834 7.319 1.00 0.00 N ATOM 0 H ARG A 61 -2.674 -0.802 2.606 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.194 -0.938 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.247 -1.449 4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.770 -2.023 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.551 -3.348 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.023 -2.762 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.063 -4.344 4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.650 -5.039 3.624 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.265 -4.106 5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.569 -2.882 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.311 -2.146 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.941 -3.160 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.265 -2.303 8.113 1.00 0.00 H new ATOM 993 N ASN A 62 -5.148 1.160 4.223 1.00 0.00 N ATOM 994 CA ASN A 62 -5.874 2.261 4.846 1.00 0.00 C ATOM 995 C ASN A 62 -6.179 3.357 3.830 1.00 0.00 C ATOM 996 O ASN A 62 -7.298 3.866 3.768 1.00 0.00 O ATOM 997 CB ASN A 62 -5.065 2.839 6.009 1.00 0.00 C ATOM 998 CG ASN A 62 -5.022 1.905 7.204 1.00 0.00 C ATOM 999 OD1 ASN A 62 -6.050 1.379 7.632 1.00 0.00 O ATOM 1000 ND2 ASN A 62 -3.829 1.696 7.748 1.00 0.00 N ATOM 0 H ASN A 62 -4.266 0.925 4.678 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.818 1.871 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.048 3.044 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.499 3.792 6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.737 1.078 8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.004 2.153 7.360 1.00 0.00 H new ATOM 1007 N GLN A 63 -5.176 3.714 3.034 1.00 0.00 N ATOM 1008 CA GLN A 63 -5.337 4.749 2.020 1.00 0.00 C ATOM 1009 C GLN A 63 -6.371 4.335 0.979 1.00 0.00 C ATOM 1010 O GLN A 63 -7.161 5.157 0.514 1.00 0.00 O ATOM 1011 CB GLN A 63 -3.998 5.039 1.340 1.00 0.00 C ATOM 1012 CG GLN A 63 -4.039 6.231 0.398 1.00 0.00 C ATOM 1013 CD GLN A 63 -3.855 7.552 1.119 1.00 0.00 C ATOM 1014 OE1 GLN A 63 -4.756 8.025 1.812 1.00 0.00 O ATOM 1015 NE2 GLN A 63 -2.682 8.155 0.960 1.00 0.00 N ATOM 0 H GLN A 63 -4.244 3.302 3.072 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.689 5.655 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.243 5.217 2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.685 4.156 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.259 6.121 -0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.993 6.239 -0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.963 7.727 0.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.500 9.046 1.422 1.00 0.00 H new ATOM 1024 N ASP A 64 -6.360 3.057 0.617 1.00 0.00 N ATOM 1025 CA ASP A 64 -7.297 2.534 -0.370 1.00 0.00 C ATOM 1026 C ASP A 64 -8.736 2.687 0.113 1.00 0.00 C ATOM 1027 O ASP A 64 -9.628 3.037 -0.659 1.00 0.00 O ATOM 1028 CB ASP A 64 -6.997 1.062 -0.660 1.00 0.00 C ATOM 1029 CG ASP A 64 -5.919 0.888 -1.711 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -4.726 1.016 -1.364 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -6.268 0.621 -2.880 1.00 0.00 O ATOM 0 H ASP A 64 -5.712 2.364 0.992 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.178 3.109 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.685 0.569 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.909 0.567 -0.994 1.00 0.00 H new ATOM 1036 N LYS A 65 -8.955 2.420 1.396 1.00 0.00 N ATOM 1037 CA LYS A 65 -10.285 2.528 1.984 1.00 0.00 C ATOM 1038 C LYS A 65 -10.645 3.986 2.253 1.00 0.00 C ATOM 1039 O LYS A 65 -9.800 4.801 2.622 1.00 0.00 O ATOM 1040 CB LYS A 65 -10.357 1.726 3.286 1.00 0.00 C ATOM 1041 CG LYS A 65 -10.392 0.223 3.073 1.00 0.00 C ATOM 1042 CD LYS A 65 -10.236 -0.530 4.384 1.00 0.00 C ATOM 1043 CE LYS A 65 -9.572 -1.882 4.175 1.00 0.00 C ATOM 1044 NZ LYS A 65 -8.784 -2.303 5.366 1.00 0.00 N ATOM 0 H LYS A 65 -8.228 2.127 2.049 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.003 2.120 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.496 1.977 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.246 2.027 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.334 -0.057 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.595 -0.067 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.642 0.065 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.215 -0.671 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.334 -2.631 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.917 -1.834 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.347 -3.229 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.041 -1.601 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.413 -2.373 6.191 1.00 0.00 H new ATOM 1058 N PRO A 66 -11.930 4.323 2.065 1.00 0.00 N ATOM 1059 CA PRO A 66 -12.431 5.683 2.283 1.00 0.00 C ATOM 1060 C PRO A 66 -12.444 6.067 3.759 1.00 0.00 C ATOM 1061 O PRO A 66 -12.324 7.242 4.106 1.00 0.00 O ATOM 1062 CB PRO A 66 -13.858 5.628 1.732 1.00 0.00 C ATOM 1063 CG PRO A 66 -14.251 4.196 1.842 1.00 0.00 C ATOM 1064 CD PRO A 66 -12.992 3.403 1.626 1.00 0.00 C ATOM 0 HA PRO A 66 -11.802 6.431 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.529 6.268 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.897 5.971 0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.683 3.984 2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.006 3.940 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.992 2.482 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.871 3.119 0.581 1.00 0.00 H new ATOM 1072 N SER A 67 -12.590 5.068 4.624 1.00 0.00 N ATOM 1073 CA SER A 67 -12.622 5.301 6.063 1.00 0.00 C ATOM 1074 C SER A 67 -11.225 5.608 6.595 1.00 0.00 C ATOM 1075 O SER A 67 -10.284 4.847 6.374 1.00 0.00 O ATOM 1076 CB SER A 67 -13.199 4.083 6.786 1.00 0.00 C ATOM 1077 OG SER A 67 -12.434 2.921 6.517 1.00 0.00 O ATOM 0 H SER A 67 -12.688 4.090 4.353 1.00 0.00 H new ATOM 0 HA SER A 67 -13.262 6.163 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.218 4.269 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.230 3.924 6.471 1.00 0.00 H new ATOM 0 HG SER A 67 -11.509 3.177 6.320 1.00 0.00 H new ATOM 1083 N GLY A 68 -11.099 6.729 7.298 1.00 0.00 N ATOM 1084 CA GLY A 68 -9.814 7.118 7.850 1.00 0.00 C ATOM 1085 C GLY A 68 -9.900 8.383 8.681 1.00 0.00 C ATOM 1086 O GLY A 68 -9.600 9.481 8.212 1.00 0.00 O ATOM 0 H GLY A 68 -11.863 7.375 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.426 6.307 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.103 7.268 7.037 1.00 0.00 H new ATOM 1090 N PRO A 69 -10.318 8.237 9.947 1.00 0.00 N ATOM 1091 CA PRO A 69 -10.453 9.366 10.872 1.00 0.00 C ATOM 1092 C PRO A 69 -9.103 9.944 11.282 1.00 0.00 C ATOM 1093 O PRO A 69 -8.381 9.352 12.084 1.00 0.00 O ATOM 1094 CB PRO A 69 -11.162 8.752 12.081 1.00 0.00 C ATOM 1095 CG PRO A 69 -10.810 7.305 12.032 1.00 0.00 C ATOM 1096 CD PRO A 69 -10.693 6.958 10.574 1.00 0.00 C ATOM 0 HA PRO A 69 -10.993 10.199 10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.826 9.210 13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.241 8.899 12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.873 7.113 12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.576 6.700 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.938 6.190 10.403 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -11.633 6.576 10.175 1.00 0.00 H new ATOM 1104 N SER A 70 -8.767 11.104 10.726 1.00 0.00 N ATOM 1105 CA SER A 70 -7.501 11.760 11.032 1.00 0.00 C ATOM 1106 C SER A 70 -6.382 10.735 11.188 1.00 0.00 C ATOM 1107 O SER A 70 -5.534 10.856 12.071 1.00 0.00 O ATOM 1108 CB SER A 70 -7.629 12.591 12.310 1.00 0.00 C ATOM 1109 OG SER A 70 -7.672 11.759 13.457 1.00 0.00 O ATOM 0 H SER A 70 -9.354 11.609 10.062 1.00 0.00 H new ATOM 0 HA SER A 70 -7.252 12.420 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.786 13.278 12.387 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.533 13.199 12.263 1.00 0.00 H new ATOM 0 HG SER A 70 -7.988 10.867 13.202 1.00 0.00 H new ATOM 1115 N SER A 71 -6.387 9.726 10.322 1.00 0.00 N ATOM 1116 CA SER A 71 -5.375 8.677 10.365 1.00 0.00 C ATOM 1117 C SER A 71 -4.497 8.719 9.118 1.00 0.00 C ATOM 1118 O SER A 71 -3.271 8.750 9.210 1.00 0.00 O ATOM 1119 CB SER A 71 -6.039 7.305 10.490 1.00 0.00 C ATOM 1120 OG SER A 71 -5.127 6.342 10.991 1.00 0.00 O ATOM 0 H SER A 71 -7.080 9.613 9.583 1.00 0.00 H new ATOM 0 HA SER A 71 -4.745 8.848 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.901 7.374 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.410 6.987 9.516 1.00 0.00 H new ATOM 0 HG SER A 71 -5.575 5.474 11.064 1.00 0.00 H new ATOM 1126 N GLY A 72 -5.135 8.719 7.952 1.00 0.00 N ATOM 1127 CA GLY A 72 -4.398 8.756 6.702 1.00 0.00 C ATOM 1128 C GLY A 72 -5.282 9.090 5.517 1.00 0.00 C ATOM 1129 O GLY A 72 -6.083 8.265 5.079 1.00 0.00 O ATOM 0 H GLY A 72 -6.150 8.694 7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.600 9.495 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.922 7.789 6.536 1.00 0.00 H new TER 1133 GLY A 72