USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= 0.473 K(o=0.2,f=-0.71) USER MOD Set 1.2: A 54 MET CE :methyl -126:sc= -0.269 (180deg=-0.183) USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -2.2! C(o=-3.6!,f=-2.2!) USER MOD Set 2.2: A 23 THR OG1 : rot -60:sc= 0.0141 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.194 USER MOD Single : A 3 SER OG : rot 66:sc= 0.143 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.021) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 88:sc= 0.0948 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.169) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 0.0982 (180deg=0) USER MOD Single : A 32 SER OG : rot 26:sc= 0.277 USER MOD Single : A 34 SER OG : rot -140:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.42 X(o=-2.4,f=-2.7) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -51:sc= -0.257 USER MOD Single : A 46 SER OG : rot 63:sc= 0.765 USER MOD Single : A 48 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.151) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 130:sc= -0.96 USER MOD Single : A 57 THR OG1 : rot 42:sc= 0.55 USER MOD Single : A 62 GLN :FLIP amide:sc= -1.16 F(o=-2.6!,f=-1.2) USER MOD Single : A 65 THR OG1 : rot 36:sc= 0.208 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.31 K(o=-2.3,f=-6.1!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 80:sc= 0.0103 USER MOD Single : A 77 SER OG : rot -57:sc= 0.152 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.254 39.426 -15.162 1.00 0.00 N ATOM 2 CA GLY A 1 -25.098 37.985 -15.231 1.00 0.00 C ATOM 3 C GLY A 1 -25.364 37.309 -13.900 1.00 0.00 C ATOM 4 O GLY A 1 -26.497 36.933 -13.602 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.062 39.841 -16.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.226 39.657 -14.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.586 39.815 -14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.780 37.584 -15.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.086 37.747 -15.560 1.00 0.00 H new ATOM 8 N SER A 2 -24.315 37.152 -13.098 1.00 0.00 N ATOM 9 CA SER A 2 -24.439 36.512 -11.794 1.00 0.00 C ATOM 10 C SER A 2 -25.427 35.350 -11.851 1.00 0.00 C ATOM 11 O SER A 2 -26.243 35.171 -10.947 1.00 0.00 O ATOM 12 CB SER A 2 -24.891 37.529 -10.744 1.00 0.00 C ATOM 13 OG SER A 2 -24.724 37.017 -9.433 1.00 0.00 O ATOM 0 H SER A 2 -23.370 37.459 -13.329 1.00 0.00 H new ATOM 0 HA SER A 2 -23.461 36.121 -11.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.318 38.449 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.938 37.784 -10.907 1.00 0.00 H new ATOM 0 HG SER A 2 -25.213 36.172 -9.347 1.00 0.00 H new ATOM 19 N SER A 3 -25.345 34.564 -12.919 1.00 0.00 N ATOM 20 CA SER A 3 -26.233 33.422 -13.098 1.00 0.00 C ATOM 21 C SER A 3 -25.443 32.117 -13.114 1.00 0.00 C ATOM 22 O SER A 3 -24.754 31.807 -14.085 1.00 0.00 O ATOM 23 CB SER A 3 -27.030 33.565 -14.396 1.00 0.00 C ATOM 24 OG SER A 3 -28.178 34.373 -14.203 1.00 0.00 O ATOM 0 H SER A 3 -24.672 34.697 -13.674 1.00 0.00 H new ATOM 0 HA SER A 3 -26.926 33.397 -12.257 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.398 34.004 -15.168 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.331 32.580 -14.752 1.00 0.00 H new ATOM 0 HG SER A 3 -27.902 35.291 -14.002 1.00 0.00 H new ATOM 30 N GLY A 4 -25.549 31.354 -12.030 1.00 0.00 N ATOM 31 CA GLY A 4 -24.839 30.092 -11.939 1.00 0.00 C ATOM 32 C GLY A 4 -24.131 29.919 -10.610 1.00 0.00 C ATOM 33 O GLY A 4 -22.958 29.548 -10.567 1.00 0.00 O ATOM 0 H GLY A 4 -26.114 31.588 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.543 29.272 -12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.109 30.030 -12.746 1.00 0.00 H new ATOM 37 N SER A 5 -24.845 30.189 -9.522 1.00 0.00 N ATOM 38 CA SER A 5 -24.276 30.067 -8.185 1.00 0.00 C ATOM 39 C SER A 5 -24.579 28.696 -7.589 1.00 0.00 C ATOM 40 O SER A 5 -25.528 28.536 -6.822 1.00 0.00 O ATOM 41 CB SER A 5 -24.824 31.165 -7.271 1.00 0.00 C ATOM 42 OG SER A 5 -24.640 32.447 -7.847 1.00 0.00 O ATOM 0 H SER A 5 -25.818 30.494 -9.540 1.00 0.00 H new ATOM 0 HA SER A 5 -23.195 30.178 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.885 30.994 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.322 31.122 -6.304 1.00 0.00 H new ATOM 0 HG SER A 5 -25.000 33.131 -7.245 1.00 0.00 H new ATOM 48 N SER A 6 -23.764 27.708 -7.947 1.00 0.00 N ATOM 49 CA SER A 6 -23.946 26.349 -7.452 1.00 0.00 C ATOM 50 C SER A 6 -22.805 25.953 -6.520 1.00 0.00 C ATOM 51 O SER A 6 -21.796 26.651 -6.425 1.00 0.00 O ATOM 52 CB SER A 6 -24.030 25.365 -8.621 1.00 0.00 C ATOM 53 OG SER A 6 -24.677 24.166 -8.232 1.00 0.00 O ATOM 0 H SER A 6 -22.971 27.824 -8.578 1.00 0.00 H new ATOM 0 HA SER A 6 -24.879 26.315 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.573 25.823 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.027 25.140 -8.984 1.00 0.00 H new ATOM 0 HG SER A 6 -24.720 23.554 -8.997 1.00 0.00 H new ATOM 59 N GLY A 7 -22.973 24.827 -5.834 1.00 0.00 N ATOM 60 CA GLY A 7 -21.950 24.357 -4.918 1.00 0.00 C ATOM 61 C GLY A 7 -21.918 22.845 -4.811 1.00 0.00 C ATOM 62 O GLY A 7 -22.934 22.215 -4.515 1.00 0.00 O ATOM 0 H GLY A 7 -23.799 24.232 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.976 24.715 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.126 24.784 -3.931 1.00 0.00 H new ATOM 66 N ARG A 8 -20.750 22.261 -5.055 1.00 0.00 N ATOM 67 CA ARG A 8 -20.590 20.813 -4.987 1.00 0.00 C ATOM 68 C ARG A 8 -19.843 20.407 -3.721 1.00 0.00 C ATOM 69 O ARG A 8 -19.257 21.246 -3.037 1.00 0.00 O ATOM 70 CB ARG A 8 -19.842 20.303 -6.220 1.00 0.00 C ATOM 71 CG ARG A 8 -18.454 20.900 -6.380 1.00 0.00 C ATOM 72 CD ARG A 8 -17.401 20.059 -5.677 1.00 0.00 C ATOM 73 NE ARG A 8 -16.148 20.788 -5.497 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.971 20.196 -5.325 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.887 18.873 -5.309 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.876 20.928 -5.168 1.00 0.00 N ATOM 0 H ARG A 8 -19.900 22.768 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.583 20.364 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.757 19.218 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.430 20.528 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.211 20.978 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.443 21.912 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.779 19.743 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.214 19.154 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.178 21.808 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.727 18.307 -5.429 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.982 18.421 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.937 21.946 -5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.973 20.473 -5.036 1.00 0.00 H new ATOM 90 N TYR A 9 -19.868 19.114 -3.414 1.00 0.00 N ATOM 91 CA TYR A 9 -19.195 18.597 -2.229 1.00 0.00 C ATOM 92 C TYR A 9 -18.325 17.394 -2.578 1.00 0.00 C ATOM 93 O TYR A 9 -18.658 16.584 -3.443 1.00 0.00 O ATOM 94 CB TYR A 9 -20.221 18.206 -1.164 1.00 0.00 C ATOM 95 CG TYR A 9 -21.099 19.354 -0.719 1.00 0.00 C ATOM 96 CD1 TYR A 9 -20.561 20.445 -0.046 1.00 0.00 C ATOM 97 CD2 TYR A 9 -22.465 19.348 -0.969 1.00 0.00 C ATOM 98 CE1 TYR A 9 -21.359 21.496 0.363 1.00 0.00 C ATOM 99 CE2 TYR A 9 -23.270 20.395 -0.564 1.00 0.00 C ATOM 100 CZ TYR A 9 -22.713 21.467 0.101 1.00 0.00 C ATOM 101 OH TYR A 9 -23.511 22.511 0.507 1.00 0.00 O ATOM 0 H TYR A 9 -20.347 18.406 -3.970 1.00 0.00 H new ATOM 0 HA TYR A 9 -18.553 19.385 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -20.852 17.408 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -19.697 17.803 -0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -19.501 20.471 0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -22.906 18.510 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -20.925 22.336 0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -24.331 20.374 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 9 -24.439 22.335 0.244 1.00 0.00 H new ATOM 111 N PRO A 10 -17.180 17.273 -1.888 1.00 0.00 N ATOM 112 CA PRO A 10 -16.238 16.171 -2.106 1.00 0.00 C ATOM 113 C PRO A 10 -16.787 14.834 -1.620 1.00 0.00 C ATOM 114 O PRO A 10 -17.835 14.778 -0.977 1.00 0.00 O ATOM 115 CB PRO A 10 -15.017 16.581 -1.279 1.00 0.00 C ATOM 116 CG PRO A 10 -15.560 17.474 -0.218 1.00 0.00 C ATOM 117 CD PRO A 10 -16.719 18.201 -0.843 1.00 0.00 C ATOM 0 HA PRO A 10 -16.023 16.021 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.520 15.711 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.279 17.098 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.882 16.898 0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.801 18.175 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.503 18.408 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.413 19.159 -1.263 1.00 0.00 H new ATOM 125 N THR A 11 -16.071 13.758 -1.931 1.00 0.00 N ATOM 126 CA THR A 11 -16.486 12.420 -1.527 1.00 0.00 C ATOM 127 C THR A 11 -15.323 11.641 -0.926 1.00 0.00 C ATOM 128 O THR A 11 -14.293 11.449 -1.571 1.00 0.00 O ATOM 129 CB THR A 11 -17.061 11.627 -2.716 1.00 0.00 C ATOM 130 OG1 THR A 11 -18.197 12.310 -3.258 1.00 0.00 O ATOM 131 CG2 THR A 11 -17.463 10.224 -2.287 1.00 0.00 C ATOM 0 H THR A 11 -15.200 13.787 -2.462 1.00 0.00 H new ATOM 0 HA THR A 11 -17.263 12.545 -0.773 1.00 0.00 H new ATOM 0 HB THR A 11 -16.287 11.549 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.555 11.800 -4.014 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.866 9.683 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.590 9.697 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.222 10.285 -1.507 1.00 0.00 H new ATOM 139 N ASN A 12 -15.494 11.194 0.314 1.00 0.00 N ATOM 140 CA ASN A 12 -14.456 10.434 1.002 1.00 0.00 C ATOM 141 C ASN A 12 -14.982 9.073 1.446 1.00 0.00 C ATOM 142 O ASN A 12 -14.701 8.618 2.554 1.00 0.00 O ATOM 143 CB ASN A 12 -13.943 11.215 2.214 1.00 0.00 C ATOM 144 CG ASN A 12 -15.058 11.919 2.962 1.00 0.00 C ATOM 145 OD1 ASN A 12 -15.135 13.148 2.970 1.00 0.00 O ATOM 146 ND2 ASN A 12 -15.928 11.142 3.596 1.00 0.00 N ATOM 0 H ASN A 12 -16.341 11.345 0.863 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.633 10.276 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.429 10.533 2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.209 11.951 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.699 11.559 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.825 10.128 3.562 1.00 0.00 H new ATOM 153 N ASN A 13 -15.748 8.427 0.572 1.00 0.00 N ATOM 154 CA ASN A 13 -16.314 7.117 0.873 1.00 0.00 C ATOM 155 C ASN A 13 -16.024 6.127 -0.251 1.00 0.00 C ATOM 156 O ASN A 13 -16.856 5.910 -1.132 1.00 0.00 O ATOM 157 CB ASN A 13 -17.824 7.229 1.092 1.00 0.00 C ATOM 158 CG ASN A 13 -18.377 6.073 1.904 1.00 0.00 C ATOM 159 OD1 ASN A 13 -18.678 5.009 1.364 1.00 0.00 O ATOM 160 ND2 ASN A 13 -18.515 6.279 3.209 1.00 0.00 N ATOM 0 H ASN A 13 -15.991 8.790 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.847 6.749 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.046 8.167 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -18.327 7.264 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.883 5.539 3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.252 7.178 3.614 1.00 0.00 H new ATOM 167 N PHE A 14 -14.837 5.530 -0.215 1.00 0.00 N ATOM 168 CA PHE A 14 -14.437 4.563 -1.230 1.00 0.00 C ATOM 169 C PHE A 14 -14.290 3.169 -0.627 1.00 0.00 C ATOM 170 O PHE A 14 -15.005 2.241 -1.001 1.00 0.00 O ATOM 171 CB PHE A 14 -13.119 4.991 -1.880 1.00 0.00 C ATOM 172 CG PHE A 14 -13.214 6.290 -2.629 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.792 6.339 -3.887 1.00 0.00 C ATOM 174 CD2 PHE A 14 -12.725 7.462 -2.074 1.00 0.00 C ATOM 175 CE1 PHE A 14 -13.880 7.532 -4.578 1.00 0.00 C ATOM 176 CE2 PHE A 14 -12.810 8.658 -2.761 1.00 0.00 C ATOM 177 CZ PHE A 14 -13.390 8.694 -4.014 1.00 0.00 C ATOM 0 H PHE A 14 -14.136 5.699 0.506 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.217 4.529 -1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -12.355 5.081 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.790 4.209 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.178 5.434 -4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.272 7.440 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.332 7.556 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.423 9.564 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.460 9.628 -4.551 1.00 0.00 H new ATOM 187 N GLY A 15 -13.356 3.031 0.309 1.00 0.00 N ATOM 188 CA GLY A 15 -13.131 1.748 0.949 1.00 0.00 C ATOM 189 C GLY A 15 -12.516 0.731 0.008 1.00 0.00 C ATOM 190 O GLY A 15 -12.847 -0.453 0.062 1.00 0.00 O ATOM 0 H GLY A 15 -12.751 3.785 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.476 1.885 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.078 1.363 1.327 1.00 0.00 H new ATOM 194 N ASN A 16 -11.620 1.193 -0.857 1.00 0.00 N ATOM 195 CA ASN A 16 -10.960 0.315 -1.816 1.00 0.00 C ATOM 196 C ASN A 16 -9.476 0.650 -1.928 1.00 0.00 C ATOM 197 O ASN A 16 -9.042 1.736 -1.541 1.00 0.00 O ATOM 198 CB ASN A 16 -11.625 0.431 -3.189 1.00 0.00 C ATOM 199 CG ASN A 16 -13.101 0.768 -3.089 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.815 0.048 -2.233 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.591 1.666 -3.774 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.334 2.170 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.058 -0.710 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.118 1.200 -3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.505 -0.508 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.003 2.194 -4.419 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.585 1.882 -3.696 1.00 0.00 H new ATOM 208 N CYS A 17 -8.701 -0.289 -2.461 1.00 0.00 N ATOM 209 CA CYS A 17 -7.265 -0.094 -2.625 1.00 0.00 C ATOM 210 C CYS A 17 -6.974 1.203 -3.374 1.00 0.00 C ATOM 211 O CYS A 17 -7.841 1.745 -4.061 1.00 0.00 O ATOM 212 CB CYS A 17 -6.652 -1.278 -3.375 1.00 0.00 C ATOM 213 SG CYS A 17 -4.836 -1.372 -3.258 1.00 0.00 S ATOM 0 H CYS A 17 -9.043 -1.193 -2.787 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.816 -0.028 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.079 -2.202 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.935 -1.215 -4.426 1.00 0.00 H new ATOM 218 N THR A 18 -5.747 1.696 -3.237 1.00 0.00 N ATOM 219 CA THR A 18 -5.341 2.929 -3.900 1.00 0.00 C ATOM 220 C THR A 18 -4.466 2.639 -5.113 1.00 0.00 C ATOM 221 O THR A 18 -3.902 3.550 -5.717 1.00 0.00 O ATOM 222 CB THR A 18 -4.574 3.857 -2.938 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.346 4.078 -1.752 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.265 5.189 -3.604 1.00 0.00 C ATOM 0 H THR A 18 -5.017 1.260 -2.673 1.00 0.00 H new ATOM 0 HA THR A 18 -6.254 3.428 -4.225 1.00 0.00 H new ATOM 0 HB THR A 18 -3.633 3.374 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.153 3.372 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.723 5.828 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.654 5.019 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.196 5.676 -3.893 1.00 0.00 H new ATOM 232 N GLY A 19 -4.357 1.361 -5.467 1.00 0.00 N ATOM 233 CA GLY A 19 -3.548 0.974 -6.608 1.00 0.00 C ATOM 234 C GLY A 19 -4.303 0.089 -7.580 1.00 0.00 C ATOM 235 O GLY A 19 -4.062 0.131 -8.786 1.00 0.00 O ATOM 0 H GLY A 19 -4.814 0.588 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.206 1.869 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.659 0.449 -6.258 1.00 0.00 H new ATOM 239 N CYS A 20 -5.220 -0.717 -7.054 1.00 0.00 N ATOM 240 CA CYS A 20 -6.012 -1.619 -7.882 1.00 0.00 C ATOM 241 C CYS A 20 -7.498 -1.487 -7.562 1.00 0.00 C ATOM 242 O CYS A 20 -8.299 -2.350 -7.919 1.00 0.00 O ATOM 243 CB CYS A 20 -5.560 -3.066 -7.672 1.00 0.00 C ATOM 244 SG CYS A 20 -6.017 -3.760 -6.051 1.00 0.00 S ATOM 0 H CYS A 20 -5.433 -0.764 -6.058 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.857 -1.345 -8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.992 -3.688 -8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.477 -3.117 -7.785 1.00 0.00 H new ATOM 249 N SER A 21 -7.858 -0.400 -6.887 1.00 0.00 N ATOM 250 CA SER A 21 -9.247 -0.155 -6.516 1.00 0.00 C ATOM 251 C SER A 21 -9.968 -1.466 -6.216 1.00 0.00 C ATOM 252 O SER A 21 -11.013 -1.759 -6.796 1.00 0.00 O ATOM 253 CB SER A 21 -9.972 0.594 -7.635 1.00 0.00 C ATOM 254 OG SER A 21 -9.735 1.989 -7.551 1.00 0.00 O ATOM 0 H SER A 21 -7.207 0.325 -6.586 1.00 0.00 H new ATOM 0 HA SER A 21 -9.254 0.458 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.636 0.222 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.043 0.399 -7.573 1.00 0.00 H new ATOM 0 HG SER A 21 -10.208 2.445 -8.278 1.00 0.00 H new ATOM 260 N ALA A 22 -9.401 -2.252 -5.306 1.00 0.00 N ATOM 261 CA ALA A 22 -9.989 -3.531 -4.928 1.00 0.00 C ATOM 262 C ALA A 22 -10.642 -3.449 -3.552 1.00 0.00 C ATOM 263 O ALA A 22 -9.957 -3.394 -2.530 1.00 0.00 O ATOM 264 CB ALA A 22 -8.932 -4.624 -4.948 1.00 0.00 C ATOM 0 H ALA A 22 -8.535 -2.025 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.763 -3.776 -5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.385 -5.574 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.514 -4.707 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.138 -4.375 -4.244 1.00 0.00 H new ATOM 270 N THR A 23 -11.971 -3.440 -3.533 1.00 0.00 N ATOM 271 CA THR A 23 -12.717 -3.363 -2.283 1.00 0.00 C ATOM 272 C THR A 23 -12.219 -4.398 -1.281 1.00 0.00 C ATOM 273 O THR A 23 -11.898 -5.528 -1.649 1.00 0.00 O ATOM 274 CB THR A 23 -14.225 -3.573 -2.515 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.667 -2.777 -3.620 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.020 -3.207 -1.270 1.00 0.00 C ATOM 0 H THR A 23 -12.553 -3.485 -4.369 1.00 0.00 H new ATOM 0 HA THR A 23 -12.555 -2.364 -1.879 1.00 0.00 H new ATOM 0 HB THR A 23 -14.392 -4.627 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.507 -1.830 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.082 -3.363 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.702 -3.835 -0.438 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.846 -2.160 -1.022 1.00 0.00 H new ATOM 284 N PHE A 24 -12.158 -4.006 -0.013 1.00 0.00 N ATOM 285 CA PHE A 24 -11.699 -4.901 1.043 1.00 0.00 C ATOM 286 C PHE A 24 -12.872 -5.648 1.671 1.00 0.00 C ATOM 287 O PHE A 24 -13.740 -5.045 2.302 1.00 0.00 O ATOM 288 CB PHE A 24 -10.948 -4.113 2.118 1.00 0.00 C ATOM 289 CG PHE A 24 -9.870 -3.224 1.567 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.639 -3.747 1.207 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.088 -1.865 1.409 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.645 -2.933 0.699 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.098 -1.045 0.901 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.875 -1.579 0.546 1.00 0.00 C ATOM 0 H PHE A 24 -12.421 -3.074 0.309 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.023 -5.631 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.660 -3.504 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.504 -4.813 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.454 -4.804 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.042 -1.442 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.690 -3.354 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.281 0.013 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.100 -0.940 0.150 1.00 0.00 H new ATOM 304 N SER A 25 -12.891 -6.965 1.492 1.00 0.00 N ATOM 305 CA SER A 25 -13.959 -7.796 2.036 1.00 0.00 C ATOM 306 C SER A 25 -13.484 -8.546 3.277 1.00 0.00 C ATOM 307 O SER A 25 -12.313 -8.476 3.649 1.00 0.00 O ATOM 308 CB SER A 25 -14.449 -8.790 0.981 1.00 0.00 C ATOM 309 OG SER A 25 -15.089 -8.121 -0.092 1.00 0.00 O ATOM 0 H SER A 25 -12.179 -7.480 0.974 1.00 0.00 H new ATOM 0 HA SER A 25 -14.785 -7.144 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.606 -9.368 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.141 -9.498 1.437 1.00 0.00 H new ATOM 0 HG SER A 25 -15.391 -8.778 -0.753 1.00 0.00 H new ATOM 315 N VAL A 26 -14.404 -9.264 3.914 1.00 0.00 N ATOM 316 CA VAL A 26 -14.081 -10.029 5.113 1.00 0.00 C ATOM 317 C VAL A 26 -12.832 -10.878 4.903 1.00 0.00 C ATOM 318 O VAL A 26 -12.201 -11.320 5.864 1.00 0.00 O ATOM 319 CB VAL A 26 -15.249 -10.945 5.525 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.327 -10.147 6.241 1.00 0.00 C ATOM 321 CG2 VAL A 26 -15.820 -11.659 4.309 1.00 0.00 C ATOM 0 H VAL A 26 -15.378 -9.332 3.620 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.896 -9.308 5.909 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.871 -11.699 6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.144 -10.811 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.906 -9.688 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -16.705 -9.369 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.644 -12.302 4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -16.183 -10.923 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.042 -12.265 3.844 1.00 0.00 H new ATOM 331 N LEU A 27 -12.481 -11.102 3.642 1.00 0.00 N ATOM 332 CA LEU A 27 -11.306 -11.899 3.305 1.00 0.00 C ATOM 333 C LEU A 27 -10.075 -11.012 3.146 1.00 0.00 C ATOM 334 O LEU A 27 -9.059 -11.218 3.809 1.00 0.00 O ATOM 335 CB LEU A 27 -11.552 -12.686 2.017 1.00 0.00 C ATOM 336 CG LEU A 27 -12.149 -14.083 2.188 1.00 0.00 C ATOM 337 CD1 LEU A 27 -13.668 -14.022 2.154 1.00 0.00 C ATOM 338 CD2 LEU A 27 -11.628 -15.022 1.110 1.00 0.00 C ATOM 0 H LEU A 27 -12.993 -10.743 2.836 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.124 -12.598 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.218 -12.103 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.605 -12.780 1.486 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.842 -14.471 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.075 -15.026 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.025 -13.384 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.994 -13.613 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.064 -16.012 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.904 -14.637 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.542 -15.091 1.181 1.00 0.00 H new ATOM 350 N LYS A 28 -10.174 -10.024 2.263 1.00 0.00 N ATOM 351 CA LYS A 28 -9.071 -9.103 2.018 1.00 0.00 C ATOM 352 C LYS A 28 -8.927 -8.109 3.166 1.00 0.00 C ATOM 353 O LYS A 28 -9.704 -7.161 3.281 1.00 0.00 O ATOM 354 CB LYS A 28 -9.289 -8.352 0.703 1.00 0.00 C ATOM 355 CG LYS A 28 -7.999 -7.906 0.036 1.00 0.00 C ATOM 356 CD LYS A 28 -8.150 -7.831 -1.475 1.00 0.00 C ATOM 357 CE LYS A 28 -7.689 -9.117 -2.145 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.793 -10.110 -2.258 1.00 0.00 N ATOM 0 H LYS A 28 -11.008 -9.841 1.705 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.153 -9.686 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.841 -8.993 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.911 -7.477 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.707 -6.929 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.198 -8.601 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.193 -7.641 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.570 -6.991 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.301 -8.890 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.868 -9.550 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.496 -10.890 -2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.020 -10.485 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.635 -9.649 -2.659 1.00 0.00 H new ATOM 372 N LYS A 29 -7.927 -8.330 4.012 1.00 0.00 N ATOM 373 CA LYS A 29 -7.678 -7.453 5.150 1.00 0.00 C ATOM 374 C LYS A 29 -7.051 -6.139 4.696 1.00 0.00 C ATOM 375 O LYS A 29 -5.957 -6.125 4.131 1.00 0.00 O ATOM 376 CB LYS A 29 -6.763 -8.144 6.163 1.00 0.00 C ATOM 377 CG LYS A 29 -7.440 -9.271 6.924 1.00 0.00 C ATOM 378 CD LYS A 29 -6.444 -10.342 7.338 1.00 0.00 C ATOM 379 CE LYS A 29 -6.299 -11.412 6.267 1.00 0.00 C ATOM 380 NZ LYS A 29 -7.411 -12.401 6.316 1.00 0.00 N ATOM 0 H LYS A 29 -7.275 -9.110 3.931 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.635 -7.235 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.892 -8.541 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.398 -7.404 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.932 -8.869 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.217 -9.716 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.474 -9.884 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.769 -10.802 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.275 -10.941 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.348 -11.928 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.030 -13.359 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.886 -12.344 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.095 -12.192 5.561 1.00 0.00 H new ATOM 394 N ARG A 30 -7.749 -5.037 4.949 1.00 0.00 N ATOM 395 CA ARG A 30 -7.260 -3.717 4.567 1.00 0.00 C ATOM 396 C ARG A 30 -5.870 -3.464 5.146 1.00 0.00 C ATOM 397 O ARG A 30 -5.713 -3.289 6.354 1.00 0.00 O ATOM 398 CB ARG A 30 -8.228 -2.633 5.044 1.00 0.00 C ATOM 399 CG ARG A 30 -8.258 -1.407 4.147 1.00 0.00 C ATOM 400 CD ARG A 30 -9.615 -0.721 4.186 1.00 0.00 C ATOM 401 NE ARG A 30 -9.711 0.241 5.281 1.00 0.00 N ATOM 402 CZ ARG A 30 -9.330 1.510 5.179 1.00 0.00 C ATOM 403 NH1 ARG A 30 -8.832 1.967 4.038 1.00 0.00 N ATOM 404 NH2 ARG A 30 -9.449 2.325 6.219 1.00 0.00 N ATOM 0 H ARG A 30 -8.655 -5.032 5.417 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.194 -3.682 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.232 -3.054 5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.950 -2.328 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.485 -0.706 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.026 -1.698 3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.791 -0.211 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.398 -1.472 4.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.091 -0.079 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.741 1.344 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.540 2.942 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.833 1.978 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.156 3.299 6.140 1.00 0.00 H new ATOM 418 N ARG A 31 -4.867 -3.447 4.275 1.00 0.00 N ATOM 419 CA ARG A 31 -3.491 -3.218 4.699 1.00 0.00 C ATOM 420 C ARG A 31 -3.134 -1.737 4.610 1.00 0.00 C ATOM 421 O ARG A 31 -3.593 -1.030 3.712 1.00 0.00 O ATOM 422 CB ARG A 31 -2.526 -4.038 3.841 1.00 0.00 C ATOM 423 CG ARG A 31 -2.257 -5.430 4.389 1.00 0.00 C ATOM 424 CD ARG A 31 -1.918 -6.410 3.277 1.00 0.00 C ATOM 425 NE ARG A 31 -1.842 -7.785 3.764 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.781 -8.287 4.386 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.287 -7.531 4.596 1.00 0.00 N ATOM 428 NH2 ARG A 31 -0.788 -9.548 4.799 1.00 0.00 N ATOM 0 H ARG A 31 -4.981 -3.589 3.271 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.401 -3.535 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.933 -4.126 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.581 -3.501 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.434 -5.389 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.133 -5.784 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.673 -6.344 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.965 -6.132 2.826 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.648 -8.393 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.296 -6.561 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.100 -7.919 5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.608 -10.133 4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.027 -9.933 5.277 1.00 0.00 H new ATOM 442 N SER A 32 -2.314 -1.273 5.547 1.00 0.00 N ATOM 443 CA SER A 32 -1.899 0.125 5.577 1.00 0.00 C ATOM 444 C SER A 32 -0.413 0.257 5.262 1.00 0.00 C ATOM 445 O SER A 32 0.430 -0.356 5.917 1.00 0.00 O ATOM 446 CB SER A 32 -2.198 0.738 6.947 1.00 0.00 C ATOM 447 OG SER A 32 -1.543 0.023 7.980 1.00 0.00 O ATOM 0 H SER A 32 -1.923 -1.845 6.296 1.00 0.00 H new ATOM 0 HA SER A 32 -2.463 0.663 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.876 1.779 6.961 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.274 0.734 7.124 1.00 0.00 H new ATOM 0 HG SER A 32 -0.751 -0.425 7.616 1.00 0.00 H new ATOM 453 N CYS A 33 -0.098 1.062 4.252 1.00 0.00 N ATOM 454 CA CYS A 33 1.286 1.276 3.847 1.00 0.00 C ATOM 455 C CYS A 33 2.125 1.774 5.019 1.00 0.00 C ATOM 456 O CYS A 33 1.590 2.208 6.039 1.00 0.00 O ATOM 457 CB CYS A 33 1.352 2.281 2.695 1.00 0.00 C ATOM 458 SG CYS A 33 3.000 2.430 1.932 1.00 0.00 S ATOM 0 H CYS A 33 -0.783 1.577 3.699 1.00 0.00 H new ATOM 0 HA CYS A 33 1.692 0.322 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.634 1.987 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.044 3.260 3.063 1.00 0.00 H new ATOM 463 N SER A 34 3.444 1.709 4.866 1.00 0.00 N ATOM 464 CA SER A 34 4.358 2.150 5.913 1.00 0.00 C ATOM 465 C SER A 34 4.983 3.495 5.558 1.00 0.00 C ATOM 466 O SER A 34 5.296 4.298 6.436 1.00 0.00 O ATOM 467 CB SER A 34 5.456 1.107 6.133 1.00 0.00 C ATOM 468 OG SER A 34 5.044 0.121 7.064 1.00 0.00 O ATOM 0 H SER A 34 3.903 1.355 4.027 1.00 0.00 H new ATOM 0 HA SER A 34 3.787 2.266 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.707 0.633 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.360 1.597 6.494 1.00 0.00 H new ATOM 0 HG SER A 34 5.794 -0.108 7.651 1.00 0.00 H new ATOM 474 N ASN A 35 5.160 3.735 4.263 1.00 0.00 N ATOM 475 CA ASN A 35 5.748 4.983 3.790 1.00 0.00 C ATOM 476 C ASN A 35 4.684 6.067 3.651 1.00 0.00 C ATOM 477 O ASN A 35 4.613 6.990 4.462 1.00 0.00 O ATOM 478 CB ASN A 35 6.448 4.764 2.446 1.00 0.00 C ATOM 479 CG ASN A 35 6.945 6.060 1.836 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.579 6.873 2.509 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.659 6.259 0.555 1.00 0.00 N ATOM 0 H ASN A 35 4.905 3.082 3.522 1.00 0.00 H new ATOM 0 HA ASN A 35 6.482 5.312 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.289 4.084 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.758 4.281 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.967 7.113 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.131 5.558 0.035 1.00 0.00 H new ATOM 488 N CYS A 36 3.857 5.948 2.617 1.00 0.00 N ATOM 489 CA CYS A 36 2.795 6.916 2.371 1.00 0.00 C ATOM 490 C CYS A 36 1.751 6.873 3.482 1.00 0.00 C ATOM 491 O CYS A 36 1.245 7.908 3.914 1.00 0.00 O ATOM 492 CB CYS A 36 2.131 6.643 1.020 1.00 0.00 C ATOM 493 SG CYS A 36 1.117 5.130 0.982 1.00 0.00 S ATOM 0 H CYS A 36 3.902 5.190 1.936 1.00 0.00 H new ATOM 0 HA CYS A 36 3.241 7.911 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.504 7.495 0.757 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.904 6.569 0.256 1.00 0.00 H new ATOM 498 N GLY A 37 1.432 5.666 3.941 1.00 0.00 N ATOM 499 CA GLY A 37 0.450 5.510 4.998 1.00 0.00 C ATOM 500 C GLY A 37 -0.970 5.472 4.468 1.00 0.00 C ATOM 501 O GLY A 37 -1.888 5.995 5.098 1.00 0.00 O ATOM 0 H GLY A 37 1.836 4.794 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.654 4.591 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.549 6.333 5.706 1.00 0.00 H new ATOM 505 N ASN A 38 -1.150 4.852 3.307 1.00 0.00 N ATOM 506 CA ASN A 38 -2.469 4.749 2.692 1.00 0.00 C ATOM 507 C ASN A 38 -2.988 3.316 2.753 1.00 0.00 C ATOM 508 O ASN A 38 -2.281 2.407 3.188 1.00 0.00 O ATOM 509 CB ASN A 38 -2.414 5.222 1.237 1.00 0.00 C ATOM 510 CG ASN A 38 -1.698 6.550 1.087 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.644 7.348 2.024 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.145 6.794 -0.095 1.00 0.00 N ATOM 0 H ASN A 38 -0.400 4.413 2.773 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.153 5.388 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.908 4.469 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.429 5.314 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.651 7.672 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.215 6.104 -0.843 1.00 0.00 H new ATOM 519 N SER A 39 -4.228 3.122 2.315 1.00 0.00 N ATOM 520 CA SER A 39 -4.844 1.801 2.323 1.00 0.00 C ATOM 521 C SER A 39 -4.468 1.018 1.069 1.00 0.00 C ATOM 522 O SER A 39 -4.363 1.583 -0.021 1.00 0.00 O ATOM 523 CB SER A 39 -6.365 1.924 2.424 1.00 0.00 C ATOM 524 OG SER A 39 -6.860 2.895 1.518 1.00 0.00 O ATOM 0 H SER A 39 -4.826 3.864 1.950 1.00 0.00 H new ATOM 0 HA SER A 39 -4.472 1.260 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.826 0.959 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.644 2.196 3.442 1.00 0.00 H new ATOM 0 HG SER A 39 -7.835 2.953 1.601 1.00 0.00 H new ATOM 530 N PHE A 40 -4.267 -0.285 1.230 1.00 0.00 N ATOM 531 CA PHE A 40 -3.902 -1.147 0.111 1.00 0.00 C ATOM 532 C PHE A 40 -4.283 -2.597 0.394 1.00 0.00 C ATOM 533 O PHE A 40 -4.529 -2.974 1.540 1.00 0.00 O ATOM 534 CB PHE A 40 -2.401 -1.047 -0.168 1.00 0.00 C ATOM 535 CG PHE A 40 -1.972 0.304 -0.665 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.211 0.682 -1.976 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.329 1.195 0.179 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.817 1.924 -2.437 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.933 2.439 -0.277 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.177 2.803 -1.586 1.00 0.00 C ATOM 0 H PHE A 40 -4.351 -0.768 2.124 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.451 -0.811 -0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.854 -1.280 0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.126 -1.801 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.711 -0.002 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.135 0.915 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.009 2.207 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.433 3.125 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.868 3.774 -1.944 1.00 0.00 H new ATOM 550 N CYS A 41 -4.330 -3.406 -0.659 1.00 0.00 N ATOM 551 CA CYS A 41 -4.682 -4.815 -0.526 1.00 0.00 C ATOM 552 C CYS A 41 -3.454 -5.652 -0.181 1.00 0.00 C ATOM 553 O CYS A 41 -2.356 -5.122 -0.009 1.00 0.00 O ATOM 554 CB CYS A 41 -5.316 -5.328 -1.820 1.00 0.00 C ATOM 555 SG CYS A 41 -4.219 -5.238 -3.272 1.00 0.00 S ATOM 0 H CYS A 41 -4.129 -3.110 -1.614 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.403 -4.909 0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.625 -6.363 -1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.218 -4.751 -2.023 1.00 0.00 H new ATOM 560 N SER A 42 -3.647 -6.963 -0.083 1.00 0.00 N ATOM 561 CA SER A 42 -2.556 -7.874 0.244 1.00 0.00 C ATOM 562 C SER A 42 -1.715 -8.180 -0.991 1.00 0.00 C ATOM 563 O SER A 42 -0.811 -9.015 -0.949 1.00 0.00 O ATOM 564 CB SER A 42 -3.109 -9.174 0.833 1.00 0.00 C ATOM 565 OG SER A 42 -4.070 -9.757 -0.030 1.00 0.00 O ATOM 0 H SER A 42 -4.548 -7.418 -0.225 1.00 0.00 H new ATOM 0 HA SER A 42 -1.920 -7.389 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.293 -9.877 1.001 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.562 -8.973 1.804 1.00 0.00 H new ATOM 0 HG SER A 42 -4.407 -10.587 0.368 1.00 0.00 H new ATOM 571 N ARG A 43 -2.018 -7.497 -2.090 1.00 0.00 N ATOM 572 CA ARG A 43 -1.291 -7.695 -3.338 1.00 0.00 C ATOM 573 C ARG A 43 -0.447 -6.470 -3.676 1.00 0.00 C ATOM 574 O ARG A 43 0.616 -6.584 -4.287 1.00 0.00 O ATOM 575 CB ARG A 43 -2.266 -7.987 -4.480 1.00 0.00 C ATOM 576 CG ARG A 43 -1.680 -8.867 -5.572 1.00 0.00 C ATOM 577 CD ARG A 43 -2.409 -8.676 -6.893 1.00 0.00 C ATOM 578 NE ARG A 43 -1.640 -9.193 -8.022 1.00 0.00 N ATOM 579 CZ ARG A 43 -2.183 -9.535 -9.185 1.00 0.00 C ATOM 580 NH1 ARG A 43 -3.490 -9.416 -9.371 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.417 -9.997 -10.165 1.00 0.00 N ATOM 0 H ARG A 43 -2.762 -6.801 -2.141 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.626 -8.549 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.154 -8.470 -4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.590 -7.044 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.623 -8.633 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.740 -9.913 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.374 -9.180 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.610 -7.616 -7.046 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.631 -9.297 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.082 -9.061 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.904 -9.679 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.411 -10.090 -10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.834 -10.260 -11.058 1.00 0.00 H new ATOM 595 N CYS A 44 -0.928 -5.298 -3.276 1.00 0.00 N ATOM 596 CA CYS A 44 -0.220 -4.050 -3.536 1.00 0.00 C ATOM 597 C CYS A 44 0.741 -3.723 -2.397 1.00 0.00 C ATOM 598 O CYS A 44 1.828 -3.188 -2.622 1.00 0.00 O ATOM 599 CB CYS A 44 -1.215 -2.904 -3.724 1.00 0.00 C ATOM 600 SG CYS A 44 -2.168 -2.993 -5.274 1.00 0.00 S ATOM 0 H CYS A 44 -1.806 -5.186 -2.770 1.00 0.00 H new ATOM 0 HA CYS A 44 0.358 -4.173 -4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.909 -2.898 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.673 -1.959 -3.697 1.00 0.00 H new ATOM 605 N CYS A 45 0.333 -4.046 -1.175 1.00 0.00 N ATOM 606 CA CYS A 45 1.158 -3.786 0.000 1.00 0.00 C ATOM 607 C CYS A 45 1.984 -5.014 0.367 1.00 0.00 C ATOM 608 O CYS A 45 2.229 -5.281 1.544 1.00 0.00 O ATOM 609 CB CYS A 45 0.280 -3.374 1.183 1.00 0.00 C ATOM 610 SG CYS A 45 1.207 -2.791 2.622 1.00 0.00 S ATOM 0 H CYS A 45 -0.563 -4.488 -0.972 1.00 0.00 H new ATOM 0 HA CYS A 45 1.841 -2.970 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.401 -2.587 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.334 -4.224 1.480 1.00 0.00 H new ATOM 0 HG CYS A 45 2.125 -3.659 2.927 1.00 0.00 H new ATOM 616 N SER A 46 2.410 -5.760 -0.648 1.00 0.00 N ATOM 617 CA SER A 46 3.204 -6.963 -0.432 1.00 0.00 C ATOM 618 C SER A 46 4.652 -6.742 -0.858 1.00 0.00 C ATOM 619 O SER A 46 5.301 -7.646 -1.386 1.00 0.00 O ATOM 620 CB SER A 46 2.607 -8.140 -1.205 1.00 0.00 C ATOM 621 OG SER A 46 3.038 -8.135 -2.555 1.00 0.00 O ATOM 0 H SER A 46 2.218 -5.552 -1.628 1.00 0.00 H new ATOM 0 HA SER A 46 3.188 -7.192 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.899 -9.077 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.519 -8.089 -1.167 1.00 0.00 H new ATOM 0 HG SER A 46 4.011 -8.244 -2.588 1.00 0.00 H new ATOM 627 N PHE A 47 5.153 -5.533 -0.627 1.00 0.00 N ATOM 628 CA PHE A 47 6.524 -5.191 -0.987 1.00 0.00 C ATOM 629 C PHE A 47 7.301 -4.703 0.232 1.00 0.00 C ATOM 630 O PHE A 47 6.859 -3.803 0.946 1.00 0.00 O ATOM 631 CB PHE A 47 6.534 -4.117 -2.077 1.00 0.00 C ATOM 632 CG PHE A 47 6.010 -4.599 -3.399 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.648 -4.627 -3.651 1.00 0.00 C ATOM 634 CD2 PHE A 47 6.880 -5.024 -4.390 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.163 -5.069 -4.867 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.401 -5.468 -5.608 1.00 0.00 C ATOM 637 CZ PHE A 47 5.040 -5.491 -5.847 1.00 0.00 C ATOM 0 H PHE A 47 4.630 -4.773 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 47 7.009 -6.090 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.935 -3.269 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.554 -3.755 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.957 -4.300 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.945 -5.008 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.099 -5.084 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.090 -5.797 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.663 -5.838 -6.798 1.00 0.00 H new ATOM 647 N LYS A 48 8.463 -5.304 0.464 1.00 0.00 N ATOM 648 CA LYS A 48 9.305 -4.932 1.595 1.00 0.00 C ATOM 649 C LYS A 48 10.399 -3.962 1.163 1.00 0.00 C ATOM 650 O LYS A 48 11.031 -4.145 0.123 1.00 0.00 O ATOM 651 CB LYS A 48 9.933 -6.180 2.222 1.00 0.00 C ATOM 652 CG LYS A 48 8.925 -7.099 2.889 1.00 0.00 C ATOM 653 CD LYS A 48 9.520 -8.468 3.173 1.00 0.00 C ATOM 654 CE LYS A 48 10.168 -8.520 4.548 1.00 0.00 C ATOM 655 NZ LYS A 48 11.606 -8.137 4.498 1.00 0.00 N ATOM 0 H LYS A 48 8.843 -6.051 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 48 8.677 -4.437 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.464 -6.736 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.674 -5.872 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.583 -6.650 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.050 -7.207 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.739 -9.226 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.261 -8.709 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.637 -7.851 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.074 -9.526 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.838 -7.550 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.194 -8.995 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.792 -7.598 3.628 1.00 0.00 H new ATOM 669 N VAL A 49 10.619 -2.928 1.970 1.00 0.00 N ATOM 670 CA VAL A 49 11.639 -1.930 1.673 1.00 0.00 C ATOM 671 C VAL A 49 12.221 -1.340 2.952 1.00 0.00 C ATOM 672 O VAL A 49 11.568 -1.289 3.995 1.00 0.00 O ATOM 673 CB VAL A 49 11.072 -0.789 0.807 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.645 -1.314 -0.555 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.909 -0.111 1.515 1.00 0.00 C ATOM 0 H VAL A 49 10.104 -2.760 2.834 1.00 0.00 H new ATOM 0 HA VAL A 49 12.428 -2.440 1.120 1.00 0.00 H new ATOM 0 HB VAL A 49 11.856 -0.048 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.247 -0.494 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.505 -1.749 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.876 -2.076 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.521 0.692 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.120 -0.840 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.251 0.302 2.464 1.00 0.00 H new ATOM 685 N PRO A 50 13.480 -0.884 2.874 1.00 0.00 N ATOM 686 CA PRO A 50 14.178 -0.288 4.017 1.00 0.00 C ATOM 687 C PRO A 50 13.605 1.071 4.403 1.00 0.00 C ATOM 688 O PRO A 50 13.466 1.960 3.562 1.00 0.00 O ATOM 689 CB PRO A 50 15.617 -0.139 3.516 1.00 0.00 C ATOM 690 CG PRO A 50 15.494 -0.051 2.034 1.00 0.00 C ATOM 691 CD PRO A 50 14.318 -0.913 1.664 1.00 0.00 C ATOM 0 HA PRO A 50 14.086 -0.900 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.089 0.753 3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.230 -0.990 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.338 0.980 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.403 -0.401 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.787 -0.518 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.627 -1.928 1.413 1.00 0.00 H new ATOM 699 N LYS A 51 13.273 1.227 5.680 1.00 0.00 N ATOM 700 CA LYS A 51 12.716 2.479 6.179 1.00 0.00 C ATOM 701 C LYS A 51 13.820 3.496 6.449 1.00 0.00 C ATOM 702 O LYS A 51 13.610 4.703 6.322 1.00 0.00 O ATOM 703 CB LYS A 51 11.913 2.230 7.458 1.00 0.00 C ATOM 704 CG LYS A 51 12.758 1.738 8.620 1.00 0.00 C ATOM 705 CD LYS A 51 11.893 1.255 9.772 1.00 0.00 C ATOM 706 CE LYS A 51 11.036 2.378 10.336 1.00 0.00 C ATOM 707 NZ LYS A 51 10.712 2.160 11.773 1.00 0.00 N ATOM 0 H LYS A 51 13.380 0.501 6.389 1.00 0.00 H new ATOM 0 HA LYS A 51 12.053 2.883 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.413 3.154 7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.133 1.497 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.404 0.927 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.409 2.542 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.251 0.443 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.528 0.850 10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.560 3.327 10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.112 2.453 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.127 2.947 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.190 1.267 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.593 2.114 12.324 1.00 0.00 H new ATOM 721 N SER A 52 14.996 3.002 6.821 1.00 0.00 N ATOM 722 CA SER A 52 16.132 3.868 7.112 1.00 0.00 C ATOM 723 C SER A 52 16.447 4.769 5.921 1.00 0.00 C ATOM 724 O SER A 52 16.834 5.925 6.088 1.00 0.00 O ATOM 725 CB SER A 52 17.361 3.030 7.471 1.00 0.00 C ATOM 726 OG SER A 52 17.671 2.111 6.438 1.00 0.00 O ATOM 0 H SER A 52 15.187 2.006 6.928 1.00 0.00 H new ATOM 0 HA SER A 52 15.869 4.497 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.214 3.686 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.178 2.490 8.400 1.00 0.00 H new ATOM 0 HG SER A 52 18.461 1.589 6.691 1.00 0.00 H new ATOM 732 N SER A 53 16.278 4.229 4.718 1.00 0.00 N ATOM 733 CA SER A 53 16.547 4.981 3.498 1.00 0.00 C ATOM 734 C SER A 53 15.277 5.652 2.982 1.00 0.00 C ATOM 735 O SER A 53 15.017 5.670 1.779 1.00 0.00 O ATOM 736 CB SER A 53 17.123 4.059 2.422 1.00 0.00 C ATOM 737 OG SER A 53 16.252 2.972 2.161 1.00 0.00 O ATOM 0 H SER A 53 15.956 3.274 4.562 1.00 0.00 H new ATOM 0 HA SER A 53 17.277 5.756 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 53 17.289 4.624 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 53 18.094 3.682 2.744 1.00 0.00 H new ATOM 0 HG SER A 53 16.105 2.895 1.195 1.00 0.00 H new ATOM 743 N MET A 54 14.491 6.202 3.901 1.00 0.00 N ATOM 744 CA MET A 54 13.249 6.875 3.540 1.00 0.00 C ATOM 745 C MET A 54 12.629 7.560 4.753 1.00 0.00 C ATOM 746 O MET A 54 13.108 7.409 5.876 1.00 0.00 O ATOM 747 CB MET A 54 12.257 5.875 2.941 1.00 0.00 C ATOM 748 CG MET A 54 11.912 4.728 3.877 1.00 0.00 C ATOM 749 SD MET A 54 10.882 5.248 5.263 1.00 0.00 S ATOM 750 CE MET A 54 9.249 4.863 4.635 1.00 0.00 C ATOM 0 H MET A 54 14.692 6.195 4.901 1.00 0.00 H new ATOM 0 HA MET A 54 13.481 7.636 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.341 6.401 2.671 1.00 0.00 H new ATOM 0 HB3 MET A 54 12.675 5.469 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.394 3.950 3.316 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.832 4.286 4.259 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.618 5.750 4.694 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.325 4.541 3.597 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.809 4.064 5.231 1.00 0.00 H new ATOM 760 N GLY A 55 11.559 8.314 4.520 1.00 0.00 N ATOM 761 CA GLY A 55 10.891 9.011 5.604 1.00 0.00 C ATOM 762 C GLY A 55 11.852 9.820 6.451 1.00 0.00 C ATOM 763 O GLY A 55 12.953 10.150 6.010 1.00 0.00 O ATOM 0 H GLY A 55 11.143 8.455 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.129 9.673 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.376 8.287 6.235 1.00 0.00 H new ATOM 767 N ALA A 56 11.435 10.142 7.672 1.00 0.00 N ATOM 768 CA ALA A 56 12.267 10.918 8.583 1.00 0.00 C ATOM 769 C ALA A 56 13.397 10.067 9.153 1.00 0.00 C ATOM 770 O ALA A 56 13.156 9.078 9.846 1.00 0.00 O ATOM 771 CB ALA A 56 11.421 11.497 9.707 1.00 0.00 C ATOM 0 H ALA A 56 10.526 9.877 8.052 1.00 0.00 H new ATOM 0 HA ALA A 56 12.713 11.738 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.055 12.074 10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.653 12.146 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.948 10.686 10.261 1.00 0.00 H new ATOM 777 N THR A 57 14.633 10.457 8.857 1.00 0.00 N ATOM 778 CA THR A 57 15.801 9.730 9.338 1.00 0.00 C ATOM 779 C THR A 57 15.953 9.872 10.848 1.00 0.00 C ATOM 780 O THR A 57 16.390 10.911 11.342 1.00 0.00 O ATOM 781 CB THR A 57 17.090 10.222 8.655 1.00 0.00 C ATOM 782 OG1 THR A 57 17.212 11.641 8.801 1.00 0.00 O ATOM 783 CG2 THR A 57 17.093 9.857 7.178 1.00 0.00 C ATOM 0 H THR A 57 14.851 11.273 8.286 1.00 0.00 H new ATOM 0 HA THR A 57 15.645 8.681 9.088 1.00 0.00 H new ATOM 0 HB THR A 57 17.938 9.734 9.136 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.959 11.899 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.013 10.215 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.031 8.774 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 57 16.237 10.320 6.687 1.00 0.00 H new ATOM 791 N ALA A 58 15.591 8.821 11.576 1.00 0.00 N ATOM 792 CA ALA A 58 15.690 8.828 13.031 1.00 0.00 C ATOM 793 C ALA A 58 16.782 7.879 13.511 1.00 0.00 C ATOM 794 O ALA A 58 17.067 6.856 12.888 1.00 0.00 O ATOM 795 CB ALA A 58 14.352 8.455 13.653 1.00 0.00 C ATOM 0 H ALA A 58 15.226 7.954 11.182 1.00 0.00 H new ATOM 0 HA ALA A 58 15.957 9.836 13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.441 8.464 14.739 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.594 9.175 13.345 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.062 7.458 13.321 1.00 0.00 H new ATOM 801 N PRO A 59 17.410 8.224 14.645 1.00 0.00 N ATOM 802 CA PRO A 59 18.482 7.415 15.234 1.00 0.00 C ATOM 803 C PRO A 59 17.968 6.098 15.804 1.00 0.00 C ATOM 804 O PRO A 59 18.738 5.298 16.333 1.00 0.00 O ATOM 805 CB PRO A 59 19.025 8.307 16.353 1.00 0.00 C ATOM 806 CG PRO A 59 17.887 9.198 16.714 1.00 0.00 C ATOM 807 CD PRO A 59 17.123 9.430 15.440 1.00 0.00 C ATOM 0 HA PRO A 59 19.231 7.131 14.495 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.351 7.715 17.208 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.887 8.883 16.017 1.00 0.00 H new ATOM 0 HG2 PRO A 59 17.253 8.735 17.470 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.245 10.139 17.131 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.055 9.543 15.627 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.455 10.335 14.931 1.00 0.00 H new ATOM 815 N GLU A 60 16.661 5.880 15.692 1.00 0.00 N ATOM 816 CA GLU A 60 16.045 4.659 16.197 1.00 0.00 C ATOM 817 C GLU A 60 15.916 3.616 15.091 1.00 0.00 C ATOM 818 O GLU A 60 16.310 2.463 15.261 1.00 0.00 O ATOM 819 CB GLU A 60 14.667 4.963 16.789 1.00 0.00 C ATOM 820 CG GLU A 60 14.713 5.890 17.992 1.00 0.00 C ATOM 821 CD GLU A 60 14.982 5.151 19.288 1.00 0.00 C ATOM 822 OE1 GLU A 60 16.169 4.975 19.635 1.00 0.00 O ATOM 823 OE2 GLU A 60 14.007 4.748 19.956 1.00 0.00 O ATOM 0 H GLU A 60 16.009 6.533 15.256 1.00 0.00 H new ATOM 0 HA GLU A 60 16.688 4.256 16.979 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.041 5.412 16.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.191 4.027 17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.489 6.640 17.838 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.765 6.423 18.072 1.00 0.00 H new ATOM 830 N ALA A 61 15.361 4.030 13.957 1.00 0.00 N ATOM 831 CA ALA A 61 15.181 3.134 12.822 1.00 0.00 C ATOM 832 C ALA A 61 16.469 3.003 12.016 1.00 0.00 C ATOM 833 O ALA A 61 16.919 3.961 11.388 1.00 0.00 O ATOM 834 CB ALA A 61 14.049 3.628 11.933 1.00 0.00 C ATOM 0 H ALA A 61 15.028 4.981 13.800 1.00 0.00 H new ATOM 0 HA ALA A 61 14.922 2.148 13.208 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.926 2.949 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.124 3.663 12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.285 4.626 11.564 1.00 0.00 H new ATOM 840 N GLN A 62 17.058 1.811 12.040 1.00 0.00 N ATOM 841 CA GLN A 62 18.295 1.556 11.312 1.00 0.00 C ATOM 842 C GLN A 62 18.325 0.131 10.770 1.00 0.00 C ATOM 843 O GLN A 62 18.228 -0.834 11.528 1.00 0.00 O ATOM 844 CB GLN A 62 19.504 1.794 12.220 1.00 0.00 C ATOM 845 CG GLN A 62 19.907 3.256 12.325 1.00 0.00 C ATOM 846 CD GLN A 62 20.541 3.592 13.660 1.00 0.00 C ATOM 847 OE1 GLN A 62 20.026 4.624 14.318 1.00 0.00 O flip ATOM 848 NE2 GLN A 62 21.484 2.931 14.097 1.00 0.00 N flip ATOM 0 H GLN A 62 16.698 1.008 12.555 1.00 0.00 H new ATOM 0 HA GLN A 62 18.340 2.246 10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.279 1.415 13.217 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.350 1.219 11.843 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.607 3.494 11.524 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.028 3.883 12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.849 2.145 13.558 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.900 3.169 14.997 1.00 0.00 H new ATOM 857 N ARG A 63 18.458 0.007 9.454 1.00 0.00 N ATOM 858 CA ARG A 63 18.498 -1.300 8.810 1.00 0.00 C ATOM 859 C ARG A 63 17.241 -2.103 9.131 1.00 0.00 C ATOM 860 O ARG A 63 17.321 -3.262 9.537 1.00 0.00 O ATOM 861 CB ARG A 63 19.739 -2.075 9.257 1.00 0.00 C ATOM 862 CG ARG A 63 21.025 -1.594 8.605 1.00 0.00 C ATOM 863 CD ARG A 63 22.092 -2.678 8.611 1.00 0.00 C ATOM 864 NE ARG A 63 21.894 -3.648 7.538 1.00 0.00 N ATOM 865 CZ ARG A 63 22.865 -4.411 7.048 1.00 0.00 C ATOM 866 NH1 ARG A 63 24.095 -4.317 7.534 1.00 0.00 N ATOM 867 NH2 ARG A 63 22.606 -5.270 6.071 1.00 0.00 N ATOM 0 H ARG A 63 18.540 0.796 8.813 1.00 0.00 H new ATOM 0 HA ARG A 63 18.544 -1.145 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.838 -1.993 10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.599 -3.132 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.822 -1.288 7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.395 -0.715 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 63 23.075 -2.219 8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 63 22.080 -3.193 9.572 1.00 0.00 H new ATOM 0 HE ARG A 63 20.959 -3.745 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 63 24.297 -3.658 8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 63 24.839 -4.904 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 63 21.661 -5.345 5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.352 -5.855 5.695 1.00 0.00 H new ATOM 881 N GLU A 64 16.082 -1.478 8.947 1.00 0.00 N ATOM 882 CA GLU A 64 14.809 -2.135 9.219 1.00 0.00 C ATOM 883 C GLU A 64 14.061 -2.430 7.922 1.00 0.00 C ATOM 884 O GLU A 64 14.383 -1.882 6.867 1.00 0.00 O ATOM 885 CB GLU A 64 13.945 -1.263 10.132 1.00 0.00 C ATOM 886 CG GLU A 64 13.071 -2.060 11.086 1.00 0.00 C ATOM 887 CD GLU A 64 13.816 -3.208 11.738 1.00 0.00 C ATOM 888 OE1 GLU A 64 15.019 -3.045 12.029 1.00 0.00 O ATOM 889 OE2 GLU A 64 13.196 -4.270 11.956 1.00 0.00 O ATOM 0 H GLU A 64 15.999 -0.519 8.611 1.00 0.00 H new ATOM 0 HA GLU A 64 15.017 -3.080 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.593 -0.604 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.310 -0.626 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.685 -1.396 11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.211 -2.452 10.543 1.00 0.00 H new ATOM 896 N THR A 65 13.061 -3.302 8.008 1.00 0.00 N ATOM 897 CA THR A 65 12.268 -3.672 6.842 1.00 0.00 C ATOM 898 C THR A 65 10.789 -3.378 7.067 1.00 0.00 C ATOM 899 O THR A 65 10.199 -3.829 8.049 1.00 0.00 O ATOM 900 CB THR A 65 12.437 -5.164 6.499 1.00 0.00 C ATOM 901 OG1 THR A 65 12.135 -5.967 7.645 1.00 0.00 O ATOM 902 CG2 THR A 65 13.854 -5.454 6.029 1.00 0.00 C ATOM 0 H THR A 65 12.781 -3.765 8.873 1.00 0.00 H new ATOM 0 HA THR A 65 12.632 -3.071 6.008 1.00 0.00 H new ATOM 0 HB THR A 65 11.747 -5.409 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.403 -5.555 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.949 -6.514 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.070 -4.863 5.139 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.560 -5.193 6.818 1.00 0.00 H new ATOM 910 N VAL A 66 10.195 -2.620 6.151 1.00 0.00 N ATOM 911 CA VAL A 66 8.784 -2.267 6.249 1.00 0.00 C ATOM 912 C VAL A 66 8.022 -2.697 5.000 1.00 0.00 C ATOM 913 O VAL A 66 8.617 -2.942 3.951 1.00 0.00 O ATOM 914 CB VAL A 66 8.597 -0.753 6.456 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.133 -0.329 7.815 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.277 0.025 5.339 1.00 0.00 C ATOM 0 H VAL A 66 10.669 -2.239 5.332 1.00 0.00 H new ATOM 0 HA VAL A 66 8.385 -2.796 7.115 1.00 0.00 H new ATOM 0 HB VAL A 66 7.531 -0.529 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.992 0.744 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.596 -0.862 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.195 -0.565 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.135 1.093 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.343 -0.203 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.841 -0.258 4.381 1.00 0.00 H new ATOM 926 N PHE A 67 6.702 -2.785 5.120 1.00 0.00 N ATOM 927 CA PHE A 67 5.857 -3.185 4.001 1.00 0.00 C ATOM 928 C PHE A 67 5.119 -1.983 3.419 1.00 0.00 C ATOM 929 O PHE A 67 4.248 -1.402 4.066 1.00 0.00 O ATOM 930 CB PHE A 67 4.851 -4.248 4.448 1.00 0.00 C ATOM 931 CG PHE A 67 5.484 -5.568 4.784 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.875 -6.440 3.780 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.687 -5.938 6.104 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.456 -7.656 4.087 1.00 0.00 C ATOM 935 CE2 PHE A 67 6.269 -7.152 6.417 1.00 0.00 C ATOM 936 CZ PHE A 67 6.654 -8.012 5.407 1.00 0.00 C ATOM 0 H PHE A 67 6.194 -2.585 5.981 1.00 0.00 H new ATOM 0 HA PHE A 67 6.499 -3.605 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.310 -3.881 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.116 -4.397 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.724 -6.166 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.387 -5.270 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.755 -8.327 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.423 -7.428 7.450 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.109 -8.961 5.649 1.00 0.00 H new ATOM 946 N VAL A 68 5.475 -1.615 2.192 1.00 0.00 N ATOM 947 CA VAL A 68 4.848 -0.483 1.521 1.00 0.00 C ATOM 948 C VAL A 68 3.991 -0.945 0.348 1.00 0.00 C ATOM 949 O VAL A 68 3.876 -2.142 0.083 1.00 0.00 O ATOM 950 CB VAL A 68 5.899 0.521 1.011 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.705 1.086 2.171 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.812 -0.139 -0.012 1.00 0.00 C ATOM 0 H VAL A 68 6.195 -2.085 1.643 1.00 0.00 H new ATOM 0 HA VAL A 68 4.214 0.010 2.258 1.00 0.00 H new ATOM 0 HB VAL A 68 5.381 1.347 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.442 1.793 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.036 1.596 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.215 0.274 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.549 0.584 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.324 -0.984 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.219 -0.490 -0.856 1.00 0.00 H new ATOM 962 N CYS A 69 3.391 0.012 -0.352 1.00 0.00 N ATOM 963 CA CYS A 69 2.544 -0.296 -1.498 1.00 0.00 C ATOM 964 C CYS A 69 3.323 -0.157 -2.803 1.00 0.00 C ATOM 965 O CYS A 69 4.171 0.724 -2.941 1.00 0.00 O ATOM 966 CB CYS A 69 1.324 0.627 -1.519 1.00 0.00 C ATOM 967 SG CYS A 69 1.717 2.372 -1.862 1.00 0.00 S ATOM 0 H CYS A 69 3.476 1.007 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 69 2.209 -1.329 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.624 0.268 -2.273 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.816 0.562 -0.557 1.00 0.00 H new ATOM 972 N ALA A 70 3.027 -1.033 -3.758 1.00 0.00 N ATOM 973 CA ALA A 70 3.697 -1.007 -5.052 1.00 0.00 C ATOM 974 C ALA A 70 4.046 0.420 -5.462 1.00 0.00 C ATOM 975 O ALA A 70 5.196 0.722 -5.777 1.00 0.00 O ATOM 976 CB ALA A 70 2.825 -1.664 -6.111 1.00 0.00 C ATOM 0 H ALA A 70 2.328 -1.769 -3.660 1.00 0.00 H new ATOM 0 HA ALA A 70 4.627 -1.569 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.338 -1.637 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.631 -2.700 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.880 -1.126 -6.189 1.00 0.00 H new ATOM 982 N SER A 71 3.044 1.294 -5.456 1.00 0.00 N ATOM 983 CA SER A 71 3.243 2.688 -5.831 1.00 0.00 C ATOM 984 C SER A 71 4.505 3.250 -5.183 1.00 0.00 C ATOM 985 O SER A 71 5.331 3.878 -5.846 1.00 0.00 O ATOM 986 CB SER A 71 2.031 3.527 -5.423 1.00 0.00 C ATOM 987 OG SER A 71 0.937 3.299 -6.295 1.00 0.00 O ATOM 0 H SER A 71 2.086 1.060 -5.195 1.00 0.00 H new ATOM 0 HA SER A 71 3.359 2.733 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.743 3.282 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.296 4.584 -5.435 1.00 0.00 H new ATOM 0 HG SER A 71 0.174 3.845 -6.012 1.00 0.00 H new ATOM 993 N CYS A 72 4.648 3.019 -3.882 1.00 0.00 N ATOM 994 CA CYS A 72 5.807 3.501 -3.142 1.00 0.00 C ATOM 995 C CYS A 72 7.028 2.627 -3.415 1.00 0.00 C ATOM 996 O CYS A 72 8.063 3.114 -3.869 1.00 0.00 O ATOM 997 CB CYS A 72 5.508 3.524 -1.642 1.00 0.00 C ATOM 998 SG CYS A 72 4.192 4.689 -1.164 1.00 0.00 S ATOM 0 H CYS A 72 3.974 2.500 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 72 6.025 4.515 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.224 2.521 -1.324 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.420 3.783 -1.104 1.00 0.00 H new ATOM 1003 N ASN A 73 6.899 1.335 -3.133 1.00 0.00 N ATOM 1004 CA ASN A 73 7.992 0.393 -3.348 1.00 0.00 C ATOM 1005 C ASN A 73 8.756 0.728 -4.625 1.00 0.00 C ATOM 1006 O ASN A 73 9.984 0.647 -4.664 1.00 0.00 O ATOM 1007 CB ASN A 73 7.452 -1.037 -3.424 1.00 0.00 C ATOM 1008 CG ASN A 73 8.538 -2.049 -3.735 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.244 -2.514 -2.840 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.678 -2.393 -5.010 1.00 0.00 N ATOM 0 H ASN A 73 6.049 0.916 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 73 8.678 0.472 -2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.979 -1.295 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.679 -1.090 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.393 -3.068 -5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.070 -1.982 -5.719 1.00 0.00 H new ATOM 1017 N GLN A 74 8.022 1.106 -5.666 1.00 0.00 N ATOM 1018 CA GLN A 74 8.631 1.454 -6.944 1.00 0.00 C ATOM 1019 C GLN A 74 9.475 2.717 -6.819 1.00 0.00 C ATOM 1020 O GLN A 74 10.595 2.782 -7.327 1.00 0.00 O ATOM 1021 CB GLN A 74 7.552 1.650 -8.011 1.00 0.00 C ATOM 1022 CG GLN A 74 7.198 0.376 -8.760 1.00 0.00 C ATOM 1023 CD GLN A 74 6.720 0.644 -10.174 1.00 0.00 C ATOM 1024 OE1 GLN A 74 7.351 0.226 -11.145 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.598 1.344 -10.296 1.00 0.00 N ATOM 0 H GLN A 74 7.005 1.179 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 74 9.282 0.633 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.653 2.045 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.892 2.399 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.071 -0.276 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.421 -0.159 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.108 1.671 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.227 1.555 -11.222 1.00 0.00 H new ATOM 1034 N THR A 75 8.931 3.722 -6.139 1.00 0.00 N ATOM 1035 CA THR A 75 9.633 4.985 -5.948 1.00 0.00 C ATOM 1036 C THR A 75 10.829 4.814 -5.019 1.00 0.00 C ATOM 1037 O THR A 75 11.937 5.254 -5.329 1.00 0.00 O ATOM 1038 CB THR A 75 8.699 6.065 -5.371 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.593 6.281 -6.255 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.449 7.372 -5.160 1.00 0.00 C ATOM 0 H THR A 75 8.006 3.685 -5.711 1.00 0.00 H new ATOM 0 HA THR A 75 9.982 5.304 -6.930 1.00 0.00 H new ATOM 0 HB THR A 75 8.329 5.716 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.924 5.578 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.769 8.120 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.272 7.211 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.844 7.723 -6.113 1.00 0.00 H new ATOM 1048 N LEU A 76 10.600 4.171 -3.879 1.00 0.00 N ATOM 1049 CA LEU A 76 11.661 3.941 -2.904 1.00 0.00 C ATOM 1050 C LEU A 76 12.757 3.057 -3.490 1.00 0.00 C ATOM 1051 O LEU A 76 13.934 3.415 -3.470 1.00 0.00 O ATOM 1052 CB LEU A 76 11.088 3.294 -1.642 1.00 0.00 C ATOM 1053 CG LEU A 76 9.980 4.073 -0.932 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.357 3.230 0.170 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.522 5.377 -0.367 1.00 0.00 C ATOM 0 H LEU A 76 9.690 3.800 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 76 12.098 4.905 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.701 2.310 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.904 3.137 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 76 9.205 4.311 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.571 3.801 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.931 2.324 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.122 2.960 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.719 5.918 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.316 5.162 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.919 5.988 -1.178 1.00 0.00 H new ATOM 1067 N SER A 77 12.361 1.902 -4.015 1.00 0.00 N ATOM 1068 CA SER A 77 13.310 0.965 -4.605 1.00 0.00 C ATOM 1069 C SER A 77 13.622 1.347 -6.049 1.00 0.00 C ATOM 1070 O SER A 77 13.584 0.507 -6.948 1.00 0.00 O ATOM 1071 CB SER A 77 12.754 -0.459 -4.552 1.00 0.00 C ATOM 1072 OG SER A 77 13.760 -1.411 -4.850 1.00 0.00 O ATOM 0 H SER A 77 11.390 1.593 -4.044 1.00 0.00 H new ATOM 0 HA SER A 77 14.233 1.008 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.345 -0.656 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.933 -0.559 -5.262 1.00 0.00 H new ATOM 0 HG SER A 77 14.147 -1.214 -5.729 1.00 0.00 H new ATOM 1078 N LYS A 78 13.932 2.621 -6.264 1.00 0.00 N ATOM 1079 CA LYS A 78 14.253 3.117 -7.596 1.00 0.00 C ATOM 1080 C LYS A 78 15.763 3.189 -7.801 1.00 0.00 C ATOM 1081 O LYS A 78 16.381 4.229 -7.573 1.00 0.00 O ATOM 1082 CB LYS A 78 13.632 4.499 -7.812 1.00 0.00 C ATOM 1083 CG LYS A 78 13.914 5.085 -9.185 1.00 0.00 C ATOM 1084 CD LYS A 78 12.835 4.706 -10.185 1.00 0.00 C ATOM 1085 CE LYS A 78 13.194 3.432 -10.936 1.00 0.00 C ATOM 1086 NZ LYS A 78 12.292 3.201 -12.098 1.00 0.00 N ATOM 0 H LYS A 78 13.968 3.329 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 78 13.838 2.421 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.553 4.430 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.010 5.181 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.979 6.171 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.882 4.731 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.887 4.568 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.693 5.521 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.225 3.493 -11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.137 2.581 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.569 2.324 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.311 3.117 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.366 4.001 -12.759 1.00 0.00 H new ATOM 1100 N SER A 79 16.350 2.078 -8.234 1.00 0.00 N ATOM 1101 CA SER A 79 17.788 2.016 -8.468 1.00 0.00 C ATOM 1102 C SER A 79 18.103 2.138 -9.955 1.00 0.00 C ATOM 1103 O SER A 79 17.632 1.344 -10.769 1.00 0.00 O ATOM 1104 CB SER A 79 18.358 0.706 -7.920 1.00 0.00 C ATOM 1105 OG SER A 79 19.773 0.690 -8.004 1.00 0.00 O ATOM 0 H SER A 79 15.853 1.209 -8.430 1.00 0.00 H new ATOM 0 HA SER A 79 18.253 2.853 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.051 0.578 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.948 -0.135 -8.479 1.00 0.00 H new ATOM 0 HG SER A 79 20.112 -0.157 -7.646 1.00 0.00 H new ATOM 1111 N GLY A 80 18.904 3.141 -10.304 1.00 0.00 N ATOM 1112 CA GLY A 80 19.268 3.351 -11.693 1.00 0.00 C ATOM 1113 C GLY A 80 20.576 4.103 -11.842 1.00 0.00 C ATOM 1114 O GLY A 80 20.895 4.997 -11.058 1.00 0.00 O ATOM 0 H GLY A 80 19.307 3.811 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.348 2.386 -12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.474 3.906 -12.194 1.00 0.00 H new ATOM 1118 N PRO A 81 21.358 3.740 -12.869 1.00 0.00 N ATOM 1119 CA PRO A 81 22.651 4.374 -13.142 1.00 0.00 C ATOM 1120 C PRO A 81 22.501 5.808 -13.636 1.00 0.00 C ATOM 1121 O PRO A 81 21.634 6.104 -14.458 1.00 0.00 O ATOM 1122 CB PRO A 81 23.255 3.491 -14.237 1.00 0.00 C ATOM 1123 CG PRO A 81 22.082 2.869 -14.912 1.00 0.00 C ATOM 1124 CD PRO A 81 21.040 2.683 -13.844 1.00 0.00 C ATOM 0 HA PRO A 81 23.267 4.446 -12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 81 23.849 4.079 -14.937 1.00 0.00 H new ATOM 0 HB3 PRO A 81 23.916 2.734 -13.815 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.710 3.507 -15.714 1.00 0.00 H new ATOM 0 HG3 PRO A 81 22.353 1.915 -15.364 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.032 2.794 -14.243 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.098 1.692 -13.395 1.00 0.00 H new ATOM 1132 N SER A 82 23.351 6.696 -13.130 1.00 0.00 N ATOM 1133 CA SER A 82 23.311 8.101 -13.518 1.00 0.00 C ATOM 1134 C SER A 82 24.500 8.454 -14.406 1.00 0.00 C ATOM 1135 O SER A 82 24.353 9.149 -15.412 1.00 0.00 O ATOM 1136 CB SER A 82 23.304 8.995 -12.277 1.00 0.00 C ATOM 1137 OG SER A 82 22.003 9.088 -11.722 1.00 0.00 O ATOM 0 H SER A 82 24.076 6.467 -12.450 1.00 0.00 H new ATOM 0 HA SER A 82 22.395 8.270 -14.084 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.992 8.595 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.662 9.990 -12.540 1.00 0.00 H new ATOM 0 HG SER A 82 22.026 9.663 -10.929 1.00 0.00 H new ATOM 1143 N SER A 83 25.678 7.970 -14.027 1.00 0.00 N ATOM 1144 CA SER A 83 26.894 8.236 -14.786 1.00 0.00 C ATOM 1145 C SER A 83 27.981 7.221 -14.445 1.00 0.00 C ATOM 1146 O SER A 83 27.934 6.571 -13.402 1.00 0.00 O ATOM 1147 CB SER A 83 27.397 9.653 -14.503 1.00 0.00 C ATOM 1148 OG SER A 83 27.877 9.768 -13.174 1.00 0.00 O ATOM 0 H SER A 83 25.816 7.391 -13.198 1.00 0.00 H new ATOM 0 HA SER A 83 26.658 8.146 -15.846 1.00 0.00 H new ATOM 0 HB2 SER A 83 28.193 9.907 -15.204 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.590 10.368 -14.665 1.00 0.00 H new ATOM 0 HG SER A 83 28.194 10.682 -13.019 1.00 0.00 H new ATOM 1154 N GLY A 84 28.961 7.091 -15.335 1.00 0.00 N ATOM 1155 CA GLY A 84 30.046 6.154 -15.111 1.00 0.00 C ATOM 1156 C GLY A 84 31.048 6.659 -14.093 1.00 0.00 C ATOM 1157 O GLY A 84 32.245 6.656 -14.378 1.00 0.00 O ATOM 0 H GLY A 84 29.022 7.618 -16.206 1.00 0.00 H new ATOM 0 HA2 GLY A 84 29.636 5.203 -14.771 1.00 0.00 H new ATOM 0 HA3 GLY A 84 30.557 5.962 -16.055 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.349 -3.272 -4.505 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.506 3.572 -0.039 1.00 0.00 ZN