USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 995 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+ -127:sc= -0.165 (180deg=-1.57!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.48) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.46 (180deg=-1.54) USER MOD Single : A 24 THR OG1 : rot 114:sc= -1.22 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 38:sc=-0.00908 USER MOD Single : A 37 SER OG : rot -90:sc= 0.426 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -0.118 (180deg=-1.33!) USER MOD Single : A 46 ASN : amide:sc= -2.6 K(o=-2.6,f=-7.4!) USER MOD Single : A 57 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.26) USER MOD Single : A 72 TYR OH : rot -83:sc= 0.194 USER MOD Single : A 74 LYS NZ :NH3+ -163:sc=-0.00777 (180deg=-0.171) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0704 K(o=-0.07,f=-1.7!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.412 USER MOD Single : A 101 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.6!) USER MOD Single : A 106 LYS NZ :NH3+ -113:sc= -0.0403 (180deg=-0.955) USER MOD Single : A 107 SER OG : rot 88:sc= 0.0472 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 152:sc= -0.17 (180deg=-1.1) USER MOD Single : A 121 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.4) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0569) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.434 23.464 -27.896 1.00 21.23 N ATOM 2 CA GLY A 1 -27.930 22.122 -28.117 1.00 1.15 C ATOM 3 C GLY A 1 -26.473 21.979 -27.724 1.00 71.30 C ATOM 4 O GLY A 1 -25.595 21.806 -28.569 1.00 35.24 O ATOM 0 H1 GLY A 1 -29.299 23.420 -27.320 1.00 21.23 H new ATOM 0 H2 GLY A 1 -27.715 24.027 -27.398 1.00 21.23 H new ATOM 0 H3 GLY A 1 -28.650 23.909 -28.811 1.00 21.23 H new ATOM 0 HA2 GLY A 1 -28.529 21.413 -27.545 1.00 1.15 H new ATOM 0 HA3 GLY A 1 -28.047 21.862 -29.169 1.00 1.15 H new ATOM 8 N PRO A 2 -26.199 22.053 -26.414 1.00 41.24 N ATOM 9 CA PRO A 2 -24.838 21.934 -25.882 1.00 63.15 C ATOM 10 C PRO A 2 -24.284 20.521 -26.017 1.00 20.20 C ATOM 11 O PRO A 2 -25.015 19.586 -26.342 1.00 62.40 O ATOM 12 CB PRO A 2 -25.000 22.307 -24.405 1.00 11.53 C ATOM 13 CG PRO A 2 -26.421 21.990 -24.090 1.00 31.44 C ATOM 14 CD PRO A 2 -27.196 22.259 -25.350 1.00 64.13 C ATOM 0 HA PRO A 2 -24.133 22.567 -26.421 1.00 63.15 H new ATOM 0 HB2 PRO A 2 -24.318 21.736 -23.775 1.00 11.53 H new ATOM 0 HB3 PRO A 2 -24.783 23.362 -24.237 1.00 11.53 H new ATOM 0 HG2 PRO A 2 -26.529 20.951 -23.780 1.00 31.44 H new ATOM 0 HG3 PRO A 2 -26.785 22.607 -23.269 1.00 31.44 H new ATOM 0 HD2 PRO A 2 -28.042 21.579 -25.455 1.00 64.13 H new ATOM 0 HD3 PRO A 2 -27.598 23.272 -25.366 1.00 64.13 H new ATOM 22 N GLY A 3 -22.987 20.371 -25.764 1.00 1.24 N ATOM 23 CA GLY A 3 -22.357 19.067 -25.863 1.00 33.32 C ATOM 24 C GLY A 3 -20.869 19.119 -25.582 1.00 12.15 C ATOM 25 O GLY A 3 -20.124 19.817 -26.269 1.00 41.34 O ATOM 0 H GLY A 3 -22.361 21.129 -25.492 1.00 1.24 H new ATOM 0 HA2 GLY A 3 -22.833 18.383 -25.160 1.00 33.32 H new ATOM 0 HA3 GLY A 3 -22.521 18.663 -26.862 1.00 33.32 H new ATOM 29 N SER A 4 -20.435 18.379 -24.567 1.00 32.11 N ATOM 30 CA SER A 4 -19.026 18.348 -24.192 1.00 61.32 C ATOM 31 C SER A 4 -18.534 16.912 -24.043 1.00 44.23 C ATOM 32 O SER A 4 -19.327 15.989 -23.855 1.00 73.31 O ATOM 33 CB SER A 4 -18.806 19.111 -22.885 1.00 44.43 C ATOM 34 OG SER A 4 -18.799 20.511 -23.107 1.00 11.15 O ATOM 0 H SER A 4 -21.038 17.793 -23.990 1.00 32.11 H new ATOM 0 HA SER A 4 -18.455 18.829 -24.986 1.00 61.32 H new ATOM 0 HB2 SER A 4 -19.592 18.856 -22.175 1.00 44.43 H new ATOM 0 HB3 SER A 4 -17.860 18.806 -22.437 1.00 44.43 H new ATOM 0 HG SER A 4 -18.658 20.976 -22.256 1.00 11.15 H new ATOM 40 N MET A 5 -17.221 16.730 -24.130 1.00 73.43 N ATOM 41 CA MET A 5 -16.622 15.406 -24.004 1.00 14.51 C ATOM 42 C MET A 5 -15.543 15.397 -22.927 1.00 15.11 C ATOM 43 O MET A 5 -15.036 16.448 -22.534 1.00 41.12 O ATOM 44 CB MET A 5 -16.028 14.962 -25.343 1.00 40.32 C ATOM 45 CG MET A 5 -17.072 14.528 -26.357 1.00 43.01 C ATOM 46 SD MET A 5 -16.479 14.643 -28.056 1.00 11.32 S ATOM 47 CE MET A 5 -16.748 12.965 -28.623 1.00 12.43 C ATOM 0 H MET A 5 -16.551 17.483 -24.287 1.00 73.43 H new ATOM 0 HA MET A 5 -17.406 14.706 -23.713 1.00 14.51 H new ATOM 0 HB2 MET A 5 -15.445 15.782 -25.762 1.00 40.32 H new ATOM 0 HB3 MET A 5 -15.338 14.137 -25.169 1.00 40.32 H new ATOM 0 HG2 MET A 5 -17.370 13.500 -26.149 1.00 43.01 H new ATOM 0 HG3 MET A 5 -17.962 15.147 -26.244 1.00 43.01 H new ATOM 0 HE1 MET A 5 -16.429 12.876 -29.661 1.00 12.43 H new ATOM 0 HE2 MET A 5 -16.172 12.276 -28.006 1.00 12.43 H new ATOM 0 HE3 MET A 5 -17.808 12.721 -28.547 1.00 12.43 H new ATOM 57 N ASP A 6 -15.195 14.205 -22.453 1.00 11.14 N ATOM 58 CA ASP A 6 -14.175 14.060 -21.422 1.00 63.34 C ATOM 59 C ASP A 6 -13.040 13.161 -21.902 1.00 5.21 C ATOM 60 O ASP A 6 -13.255 11.997 -22.235 1.00 71.42 O ATOM 61 CB ASP A 6 -14.790 13.486 -20.144 1.00 31.23 C ATOM 62 CG ASP A 6 -15.383 12.107 -20.355 1.00 65.22 C ATOM 63 OD1 ASP A 6 -16.573 12.023 -20.723 1.00 61.13 O ATOM 64 OD2 ASP A 6 -14.656 11.111 -20.153 1.00 11.11 O1- ATOM 0 H ASP A 6 -15.605 13.325 -22.767 1.00 11.14 H new ATOM 0 HA ASP A 6 -13.767 15.048 -21.209 1.00 63.34 H new ATOM 0 HB2 ASP A 6 -14.026 13.435 -19.368 1.00 31.23 H new ATOM 0 HB3 ASP A 6 -15.566 14.161 -19.783 1.00 31.23 H new ATOM 69 N MET A 7 -11.831 13.712 -21.938 1.00 24.45 N ATOM 70 CA MET A 7 -10.661 12.960 -22.378 1.00 12.31 C ATOM 71 C MET A 7 -9.489 13.172 -21.426 1.00 2.41 C ATOM 72 O MET A 7 -9.529 14.047 -20.561 1.00 61.54 O ATOM 73 CB MET A 7 -10.265 13.377 -23.796 1.00 11.23 C ATOM 74 CG MET A 7 -9.932 14.855 -23.925 1.00 51.32 C ATOM 75 SD MET A 7 -9.176 15.261 -25.510 1.00 25.32 S ATOM 76 CE MET A 7 -8.764 16.986 -25.256 1.00 62.51 C ATOM 0 H MET A 7 -11.636 14.676 -21.668 1.00 24.45 H new ATOM 0 HA MET A 7 -10.919 11.901 -22.377 1.00 12.31 H new ATOM 0 HB2 MET A 7 -9.402 12.790 -24.111 1.00 11.23 H new ATOM 0 HB3 MET A 7 -11.081 13.136 -24.478 1.00 11.23 H new ATOM 0 HG2 MET A 7 -10.843 15.441 -23.801 1.00 51.32 H new ATOM 0 HG3 MET A 7 -9.256 15.143 -23.120 1.00 51.32 H new ATOM 0 HE1 MET A 7 -8.287 17.382 -26.152 1.00 62.51 H new ATOM 0 HE2 MET A 7 -9.673 17.551 -25.049 1.00 62.51 H new ATOM 0 HE3 MET A 7 -8.081 17.076 -24.411 1.00 62.51 H new ATOM 86 N PHE A 8 -8.445 12.366 -21.592 1.00 3.54 N ATOM 87 CA PHE A 8 -7.261 12.465 -20.746 1.00 21.13 C ATOM 88 C PHE A 8 -5.992 12.526 -21.592 1.00 4.32 C ATOM 89 O PHE A 8 -5.843 11.781 -22.561 1.00 2.32 O ATOM 90 CB PHE A 8 -7.193 11.274 -19.788 1.00 31.03 C ATOM 91 CG PHE A 8 -6.177 11.443 -18.694 1.00 51.20 C ATOM 92 CD1 PHE A 8 -6.537 11.987 -17.473 1.00 71.41 C ATOM 93 CD2 PHE A 8 -4.860 11.056 -18.889 1.00 54.22 C ATOM 94 CE1 PHE A 8 -5.605 12.144 -16.465 1.00 55.12 C ATOM 95 CE2 PHE A 8 -3.923 11.210 -17.885 1.00 71.44 C ATOM 96 CZ PHE A 8 -4.295 11.755 -16.672 1.00 63.50 C ATOM 0 H PHE A 8 -8.395 11.638 -22.304 1.00 3.54 H new ATOM 0 HA PHE A 8 -7.334 13.385 -20.166 1.00 21.13 H new ATOM 0 HB2 PHE A 8 -8.175 11.121 -19.341 1.00 31.03 H new ATOM 0 HB3 PHE A 8 -6.958 10.374 -20.356 1.00 31.03 H new ATOM 0 HD1 PHE A 8 -7.559 12.293 -17.306 1.00 71.41 H new ATOM 0 HD2 PHE A 8 -4.563 10.630 -19.836 1.00 54.22 H new ATOM 0 HE1 PHE A 8 -5.900 12.570 -15.517 1.00 55.12 H new ATOM 0 HE2 PHE A 8 -2.900 10.904 -18.049 1.00 71.44 H new ATOM 0 HZ PHE A 8 -3.564 11.877 -15.887 1.00 63.50 H new ATOM 106 N SER A 9 -5.082 13.419 -21.217 1.00 44.14 N ATOM 107 CA SER A 9 -3.827 13.581 -21.943 1.00 63.12 C ATOM 108 C SER A 9 -2.648 13.656 -20.979 1.00 52.32 C ATOM 109 O SER A 9 -2.827 13.661 -19.761 1.00 53.53 O ATOM 110 CB SER A 9 -3.873 14.841 -22.810 1.00 34.53 C ATOM 111 OG SER A 9 -4.169 15.986 -22.029 1.00 72.44 O ATOM 0 H SER A 9 -5.190 14.041 -20.416 1.00 44.14 H new ATOM 0 HA SER A 9 -3.693 12.711 -22.586 1.00 63.12 H new ATOM 0 HB2 SER A 9 -2.915 14.977 -23.311 1.00 34.53 H new ATOM 0 HB3 SER A 9 -4.626 14.723 -23.589 1.00 34.53 H new ATOM 0 HG SER A 9 -4.191 16.778 -22.605 1.00 72.44 H new ATOM 117 N ALA A 10 -1.441 13.717 -21.533 1.00 24.13 N ATOM 118 CA ALA A 10 -0.232 13.795 -20.723 1.00 0.13 C ATOM 119 C ALA A 10 -0.187 12.670 -19.694 1.00 51.52 C ATOM 120 O ALA A 10 -0.321 12.893 -18.490 1.00 13.44 O ATOM 121 CB ALA A 10 -0.145 15.148 -20.034 1.00 71.34 C ATOM 0 H ALA A 10 -1.275 13.714 -22.539 1.00 24.13 H new ATOM 0 HA ALA A 10 0.627 13.681 -21.384 1.00 0.13 H new ATOM 0 HB1 ALA A 10 0.763 15.192 -19.432 1.00 71.34 H new ATOM 0 HB2 ALA A 10 -0.122 15.938 -20.785 1.00 71.34 H new ATOM 0 HB3 ALA A 10 -1.014 15.285 -19.390 1.00 71.34 H new ATOM 127 N PRO A 11 0.006 11.433 -20.175 1.00 62.34 N ATOM 128 CA PRO A 11 0.073 10.249 -19.314 1.00 14.41 C ATOM 129 C PRO A 11 1.339 10.222 -18.464 1.00 62.40 C ATOM 130 O PRO A 11 2.442 10.051 -18.983 1.00 14.13 O ATOM 131 CB PRO A 11 0.070 9.086 -20.308 1.00 63.20 C ATOM 132 CG PRO A 11 0.625 9.661 -21.566 1.00 52.41 C ATOM 133 CD PRO A 11 0.174 11.095 -21.599 1.00 63.23 C ATOM 0 HA PRO A 11 -0.749 10.217 -18.599 1.00 14.41 H new ATOM 0 HB2 PRO A 11 0.680 8.257 -19.949 1.00 63.20 H new ATOM 0 HB3 PRO A 11 -0.937 8.698 -20.461 1.00 63.20 H new ATOM 0 HG2 PRO A 11 1.713 9.593 -21.579 1.00 52.41 H new ATOM 0 HG3 PRO A 11 0.261 9.117 -22.438 1.00 52.41 H new ATOM 0 HD2 PRO A 11 0.912 11.737 -22.080 1.00 63.23 H new ATOM 0 HD3 PRO A 11 -0.758 11.210 -22.152 1.00 63.23 H new ATOM 141 N ASP A 12 1.172 10.390 -17.158 1.00 1.52 N ATOM 142 CA ASP A 12 2.303 10.383 -16.235 1.00 54.24 C ATOM 143 C ASP A 12 2.382 9.057 -15.484 1.00 1.12 C ATOM 144 O ASP A 12 2.927 8.990 -14.382 1.00 33.35 O ATOM 145 CB ASP A 12 2.187 11.541 -15.243 1.00 65.52 C ATOM 146 CG ASP A 12 2.697 12.848 -15.817 1.00 11.11 C ATOM 147 OD1 ASP A 12 2.845 13.818 -15.044 1.00 53.53 O ATOM 148 OD2 ASP A 12 2.948 12.901 -17.039 1.00 73.21 O1- ATOM 0 H ASP A 12 0.265 10.533 -16.713 1.00 1.52 H new ATOM 0 HA ASP A 12 3.217 10.505 -16.817 1.00 54.24 H new ATOM 0 HB2 ASP A 12 1.145 11.659 -14.948 1.00 65.52 H new ATOM 0 HB3 ASP A 12 2.749 11.300 -14.340 1.00 65.52 H new ATOM 153 N ARG A 13 1.832 8.007 -16.085 1.00 62.40 N ATOM 154 CA ARG A 13 1.838 6.685 -15.471 1.00 13.43 C ATOM 155 C ARG A 13 2.854 5.774 -16.152 1.00 51.13 C ATOM 156 O ARG A 13 2.576 4.604 -16.415 1.00 65.25 O ATOM 157 CB ARG A 13 0.444 6.059 -15.546 1.00 71.33 C ATOM 158 CG ARG A 13 -0.176 6.114 -16.933 1.00 64.41 C ATOM 159 CD ARG A 13 -1.035 7.355 -17.109 1.00 64.44 C ATOM 160 NE ARG A 13 -2.417 7.128 -16.694 1.00 53.53 N ATOM 161 CZ ARG A 13 -3.303 6.460 -17.424 1.00 72.45 C ATOM 162 NH1 ARG A 13 -2.953 5.955 -18.600 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -4.541 6.293 -16.979 1.00 74.21 N ATOM 0 H ARG A 13 1.377 8.046 -16.997 1.00 62.40 H new ATOM 0 HA ARG A 13 2.122 6.799 -14.425 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.505 5.019 -15.226 1.00 71.33 H new ATOM 0 HB3 ARG A 13 -0.213 6.571 -14.843 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.612 6.106 -17.686 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.783 5.224 -17.097 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.612 8.174 -16.527 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -1.016 7.663 -18.154 1.00 64.44 H new ATOM 0 HE ARG A 13 -2.718 7.503 -15.794 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -2.001 6.079 -18.946 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -3.636 5.442 -19.158 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -4.814 6.678 -16.075 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -5.220 5.780 -17.541 1.00 74.21 H new ATOM 177 N ILE A 14 4.033 6.320 -16.437 1.00 31.23 N ATOM 178 CA ILE A 14 5.090 5.555 -17.087 1.00 21.45 C ATOM 179 C ILE A 14 5.395 4.275 -16.319 1.00 33.43 C ATOM 180 O ILE A 14 5.551 4.276 -15.097 1.00 4.22 O ATOM 181 CB ILE A 14 6.383 6.382 -17.219 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.106 7.685 -17.972 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.459 5.572 -17.926 1.00 71.10 C ATOM 184 CD1 ILE A 14 5.556 7.472 -19.365 1.00 72.40 C ATOM 0 H ILE A 14 4.279 7.288 -16.228 1.00 31.23 H new ATOM 0 HA ILE A 14 4.728 5.300 -18.083 1.00 21.45 H new ATOM 0 HB ILE A 14 6.742 6.632 -16.220 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.398 8.283 -17.398 1.00 40.21 H new ATOM 0 HG13 ILE A 14 7.029 8.260 -18.039 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.367 6.169 -18.012 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.671 4.670 -17.352 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.111 5.295 -18.921 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.383 8.438 -19.840 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.272 6.900 -19.955 1.00 72.40 H new ATOM 0 HD13 ILE A 14 4.616 6.924 -19.305 1.00 72.40 H new ATOM 196 N PRO A 15 5.484 3.152 -17.049 1.00 52.44 N ATOM 197 CA PRO A 15 5.774 1.844 -16.457 1.00 71.33 C ATOM 198 C PRO A 15 7.207 1.741 -15.947 1.00 44.54 C ATOM 199 O PRO A 15 7.933 2.734 -15.911 1.00 21.35 O ATOM 200 CB PRO A 15 5.549 0.872 -17.618 1.00 32.33 C ATOM 201 CG PRO A 15 5.776 1.687 -18.844 1.00 35.51 C ATOM 202 CD PRO A 15 5.309 3.076 -18.509 1.00 52.11 C ATOM 0 HA PRO A 15 5.149 1.644 -15.587 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.240 0.030 -17.569 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.541 0.459 -17.598 1.00 32.33 H new ATOM 0 HG2 PRO A 15 6.829 1.686 -19.124 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.221 1.282 -19.690 1.00 35.51 H new ATOM 0 HD2 PRO A 15 5.899 3.834 -19.024 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.269 3.231 -18.798 1.00 52.11 H new ATOM 210 N GLU A 16 7.608 0.536 -15.556 1.00 24.10 N ATOM 211 CA GLU A 16 8.955 0.307 -15.048 1.00 63.23 C ATOM 212 C GLU A 16 10.001 0.845 -16.019 1.00 23.52 C ATOM 213 O GLU A 16 9.735 1.000 -17.210 1.00 3.13 O ATOM 214 CB GLU A 16 9.186 -1.187 -14.808 1.00 12.45 C ATOM 215 CG GLU A 16 8.233 -1.795 -13.793 1.00 54.23 C ATOM 216 CD GLU A 16 8.635 -1.495 -12.362 1.00 62.22 C ATOM 217 OE1 GLU A 16 9.307 -2.347 -11.744 1.00 73.31 O ATOM 218 OE2 GLU A 16 8.278 -0.409 -11.859 1.00 11.13 O1- ATOM 0 H GLU A 16 7.019 -0.297 -15.581 1.00 24.10 H new ATOM 0 HA GLU A 16 9.055 0.839 -14.102 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.083 -1.718 -15.754 1.00 12.45 H new ATOM 0 HB3 GLU A 16 10.210 -1.338 -14.468 1.00 12.45 H new ATOM 0 HG2 GLU A 16 7.227 -1.414 -13.971 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.195 -2.875 -13.937 1.00 54.23 H new ATOM 225 N GLN A 17 11.192 1.128 -15.501 1.00 15.32 N ATOM 226 CA GLN A 17 12.277 1.651 -16.322 1.00 43.30 C ATOM 227 C GLN A 17 12.863 0.558 -17.209 1.00 14.04 C ATOM 228 O GLN A 17 12.875 -0.616 -16.839 1.00 32.12 O ATOM 229 CB GLN A 17 13.373 2.247 -15.436 1.00 2.54 C ATOM 230 CG GLN A 17 12.841 3.135 -14.323 1.00 15.05 C ATOM 231 CD GLN A 17 13.937 3.642 -13.407 1.00 5.52 C ATOM 232 OE1 GLN A 17 13.797 3.623 -12.183 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.037 4.098 -13.994 1.00 30.14 N ATOM 0 H GLN A 17 11.430 1.004 -14.517 1.00 15.32 H new ATOM 0 HA GLN A 17 11.870 2.434 -16.962 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.954 1.436 -14.996 1.00 2.54 H new ATOM 0 HB3 GLN A 17 14.055 2.827 -16.057 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.316 3.984 -14.760 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.111 2.577 -13.736 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.111 4.095 -15.011 1.00 30.14 H new ATOM 0 HE22 GLN A 17 15.808 4.451 -13.428 1.00 30.14 H new ATOM 242 N ILE A 18 13.346 0.952 -18.383 1.00 24.21 N ATOM 243 CA ILE A 18 13.933 0.004 -19.323 1.00 45.03 C ATOM 244 C ILE A 18 15.292 0.490 -19.815 1.00 53.13 C ATOM 245 O ILE A 18 15.739 1.582 -19.462 1.00 34.14 O ATOM 246 CB ILE A 18 13.013 -0.227 -20.537 1.00 12.34 C ATOM 247 CG1 ILE A 18 12.903 1.050 -21.373 1.00 64.44 C ATOM 248 CG2 ILE A 18 11.637 -0.686 -20.079 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.748 1.025 -22.627 1.00 51.52 C ATOM 0 H ILE A 18 13.343 1.920 -18.706 1.00 24.21 H new ATOM 0 HA ILE A 18 14.058 -0.937 -18.787 1.00 45.03 H new ATOM 0 HB ILE A 18 13.448 -1.009 -21.159 1.00 12.34 H new ATOM 0 HG12 ILE A 18 11.860 1.205 -21.650 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.200 1.902 -20.761 1.00 64.44 H new ATOM 0 HG21 ILE A 18 10.999 -0.845 -20.948 1.00 30.13 H new ATOM 0 HG22 ILE A 18 11.731 -1.618 -19.522 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.194 0.076 -19.438 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.621 1.961 -23.170 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.797 0.902 -22.357 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.436 0.194 -23.259 1.00 51.52 H new ATOM 261 N ARG A 19 15.946 -0.329 -20.634 1.00 71.23 N ATOM 262 CA ARG A 19 17.255 0.017 -21.174 1.00 75.34 C ATOM 263 C ARG A 19 17.238 -0.017 -22.700 1.00 62.41 C ATOM 264 O ARG A 19 16.561 -0.849 -23.304 1.00 51.13 O ATOM 265 CB ARG A 19 18.320 -0.945 -20.644 1.00 70.32 C ATOM 266 CG ARG A 19 19.738 -0.558 -21.031 1.00 12.13 C ATOM 267 CD ARG A 19 20.737 -1.633 -20.636 1.00 72.31 C ATOM 268 NE ARG A 19 20.896 -1.726 -19.187 1.00 22.42 N ATOM 269 CZ ARG A 19 21.407 -2.787 -18.570 1.00 11.21 C ATOM 270 NH1 ARG A 19 21.805 -3.838 -19.274 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 21.520 -2.796 -17.248 1.00 23.13 N ATOM 0 H ARG A 19 15.590 -1.236 -20.937 1.00 71.23 H new ATOM 0 HA ARG A 19 17.498 1.030 -20.852 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.249 -0.990 -19.557 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.111 -1.947 -21.019 1.00 70.32 H new ATOM 0 HG2 ARG A 19 19.789 -0.390 -22.107 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.004 0.382 -20.548 1.00 12.13 H new ATOM 0 HD2 ARG A 19 20.407 -2.596 -21.027 1.00 72.31 H new ATOM 0 HD3 ARG A 19 21.702 -1.417 -21.094 1.00 72.31 H new ATOM 0 HE ARG A 19 20.599 -0.934 -18.617 1.00 22.42 H new ATOM 0 HH11 ARG A 19 21.719 -3.833 -20.290 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.197 -4.651 -18.799 1.00 43.31 H new ATOM 0 HH21 ARG A 19 21.215 -1.989 -16.705 1.00 23.13 H new ATOM 0 HH22 ARG A 19 21.912 -3.610 -16.775 1.00 23.13 H new ATOM 285 N ILE A 20 17.988 0.891 -23.314 1.00 35.55 N ATOM 286 CA ILE A 20 18.059 0.965 -24.768 1.00 64.45 C ATOM 287 C ILE A 20 19.505 0.901 -25.251 1.00 32.03 C ATOM 288 O ILE A 20 20.440 0.976 -24.455 1.00 53.21 O ATOM 289 CB ILE A 20 17.409 2.256 -25.299 1.00 75.13 C ATOM 290 CG1 ILE A 20 17.820 3.452 -24.438 1.00 15.54 C ATOM 291 CG2 ILE A 20 15.894 2.112 -25.329 1.00 21.23 C ATOM 292 CD1 ILE A 20 17.942 4.743 -25.216 1.00 21.13 C ATOM 0 H ILE A 20 18.555 1.586 -22.828 1.00 35.55 H new ATOM 0 HA ILE A 20 17.510 0.107 -25.155 1.00 64.45 H new ATOM 0 HB ILE A 20 17.758 2.429 -26.317 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.088 3.585 -23.642 1.00 15.54 H new ATOM 0 HG13 ILE A 20 18.775 3.234 -23.960 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.448 3.032 -25.707 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.620 1.282 -25.981 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.527 1.918 -24.321 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.236 5.548 -24.542 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.696 4.628 -25.995 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.982 4.985 -25.672 1.00 21.13 H new ATOM 304 N PHE A 21 19.679 0.765 -26.562 1.00 73.53 N ATOM 305 CA PHE A 21 21.010 0.692 -27.152 1.00 64.54 C ATOM 306 C PHE A 21 21.278 1.903 -28.042 1.00 32.43 C ATOM 307 O PHE A 21 20.509 2.196 -28.958 1.00 22.23 O ATOM 308 CB PHE A 21 21.162 -0.595 -27.965 1.00 22.21 C ATOM 309 CG PHE A 21 21.558 -1.784 -27.137 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.767 -2.426 -27.356 1.00 21.22 C ATOM 311 CD2 PHE A 21 20.723 -2.260 -26.139 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.135 -3.519 -26.596 1.00 63.25 C ATOM 313 CE2 PHE A 21 21.087 -3.353 -25.375 1.00 44.12 C ATOM 314 CZ PHE A 21 22.293 -3.984 -25.604 1.00 20.14 C ATOM 0 H PHE A 21 18.915 0.703 -27.235 1.00 73.53 H new ATOM 0 HA PHE A 21 21.739 0.690 -26.341 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.220 -0.811 -28.469 1.00 22.21 H new ATOM 0 HB3 PHE A 21 21.910 -0.438 -28.742 1.00 22.21 H new ATOM 0 HD1 PHE A 21 23.429 -2.067 -28.130 1.00 21.22 H new ATOM 0 HD2 PHE A 21 19.777 -1.772 -25.956 1.00 14.32 H new ATOM 0 HE1 PHE A 21 24.080 -4.010 -26.777 1.00 63.25 H new ATOM 0 HE2 PHE A 21 20.428 -3.713 -24.599 1.00 44.12 H new ATOM 0 HZ PHE A 21 22.578 -4.839 -25.009 1.00 20.14 H new ATOM 324 N PHE A 22 22.373 2.602 -27.765 1.00 34.14 N ATOM 325 CA PHE A 22 22.742 3.783 -28.538 1.00 71.33 C ATOM 326 C PHE A 22 23.678 3.412 -29.684 1.00 24.13 C ATOM 327 O PHE A 22 24.868 3.170 -29.477 1.00 42.03 O ATOM 328 CB PHE A 22 23.411 4.822 -27.635 1.00 34.11 C ATOM 329 CG PHE A 22 22.785 6.184 -27.724 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.388 6.855 -26.578 1.00 55.45 C ATOM 331 CD2 PHE A 22 22.592 6.794 -28.953 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.813 8.110 -26.657 1.00 43.04 C ATOM 333 CE2 PHE A 22 22.018 8.048 -29.038 1.00 34.04 C ATOM 334 CZ PHE A 22 21.626 8.706 -27.889 1.00 31.31 C ATOM 0 H PHE A 22 23.021 2.372 -27.011 1.00 34.14 H new ATOM 0 HA PHE A 22 21.831 4.210 -28.959 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.366 4.477 -26.602 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.466 4.897 -27.900 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.529 6.392 -25.612 1.00 55.45 H new ATOM 0 HD2 PHE A 22 22.894 6.283 -29.855 1.00 11.41 H new ATOM 0 HE1 PHE A 22 21.510 8.624 -25.756 1.00 43.04 H new ATOM 0 HE2 PHE A 22 21.876 8.513 -30.002 1.00 34.04 H new ATOM 0 HZ PHE A 22 21.174 9.685 -27.953 1.00 31.31 H new ATOM 344 N LYS A 23 23.133 3.366 -30.895 1.00 30.42 N ATOM 345 CA LYS A 23 23.917 3.025 -32.076 1.00 1.30 C ATOM 346 C LYS A 23 24.318 4.280 -32.844 1.00 12.33 C ATOM 347 O LYS A 23 23.472 5.107 -33.186 1.00 50.24 O ATOM 348 CB LYS A 23 23.122 2.088 -32.988 1.00 51.30 C ATOM 349 CG LYS A 23 23.593 0.644 -32.937 1.00 73.32 C ATOM 350 CD LYS A 23 23.842 0.090 -34.330 1.00 53.34 C ATOM 351 CE LYS A 23 24.565 -1.247 -34.277 1.00 11.44 C ATOM 352 NZ LYS A 23 25.895 -1.185 -34.944 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.150 3.561 -31.084 1.00 30.42 H new ATOM 0 HA LYS A 23 24.823 2.518 -31.746 1.00 1.30 H new ATOM 0 HB2 LYS A 23 22.070 2.128 -32.707 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.192 2.448 -34.014 1.00 51.30 H new ATOM 0 HG2 LYS A 23 24.509 0.579 -32.350 1.00 73.32 H new ATOM 0 HG3 LYS A 23 22.845 0.034 -32.430 1.00 73.32 H new ATOM 0 HD2 LYS A 23 22.892 -0.029 -34.850 1.00 53.34 H new ATOM 0 HD3 LYS A 23 24.433 0.802 -34.906 1.00 53.34 H new ATOM 0 HE2 LYS A 23 24.694 -1.549 -33.238 1.00 11.44 H new ATOM 0 HE3 LYS A 23 23.953 -2.010 -34.758 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 26.517 -1.918 -34.547 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.779 -1.345 -35.965 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 26.319 -0.249 -34.786 1.00 75.34 H new ATOM 366 N THR A 24 25.612 4.414 -33.115 1.00 1.24 N ATOM 367 CA THR A 24 26.125 5.568 -33.843 1.00 41.43 C ATOM 368 C THR A 24 26.693 5.156 -35.196 1.00 55.05 C ATOM 369 O THR A 24 26.481 4.033 -35.653 1.00 23.40 O ATOM 370 CB THR A 24 27.218 6.299 -33.041 1.00 24.11 C ATOM 371 OG1 THR A 24 28.455 5.584 -33.136 1.00 65.51 O ATOM 372 CG2 THR A 24 26.816 6.436 -31.580 1.00 50.11 C ATOM 0 H THR A 24 26.324 3.737 -32.841 1.00 1.24 H new ATOM 0 HA THR A 24 25.284 6.244 -33.995 1.00 41.43 H new ATOM 0 HB THR A 24 27.342 7.297 -33.462 1.00 24.11 H new ATOM 0 HG1 THR A 24 29.108 6.124 -33.628 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.603 6.955 -31.033 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.889 7.005 -31.510 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.667 5.446 -31.149 1.00 50.11 H new ATOM 380 N MET A 25 27.416 6.071 -35.833 1.00 73.10 N ATOM 381 CA MET A 25 28.016 5.801 -37.134 1.00 52.45 C ATOM 382 C MET A 25 28.876 4.541 -37.085 1.00 2.30 C ATOM 383 O MET A 25 28.682 3.614 -37.872 1.00 33.11 O ATOM 384 CB MET A 25 28.862 6.993 -37.587 1.00 30.23 C ATOM 385 CG MET A 25 28.085 8.017 -38.398 1.00 63.33 C ATOM 386 SD MET A 25 27.759 7.465 -40.083 1.00 45.42 S ATOM 387 CE MET A 25 29.119 8.231 -40.960 1.00 4.22 C ATOM 0 H MET A 25 27.601 7.006 -35.469 1.00 73.10 H new ATOM 0 HA MET A 25 27.211 5.643 -37.852 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.285 7.482 -36.710 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.699 6.629 -38.183 1.00 30.23 H new ATOM 0 HG2 MET A 25 27.139 8.228 -37.899 1.00 63.33 H new ATOM 0 HG3 MET A 25 28.645 8.952 -38.428 1.00 63.33 H new ATOM 0 HE1 MET A 25 29.056 7.981 -42.019 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.067 9.313 -40.838 1.00 4.22 H new ATOM 0 HE3 MET A 25 30.064 7.866 -40.557 1.00 4.22 H new ATOM 397 N LYS A 26 29.826 4.515 -36.157 1.00 24.12 N ATOM 398 CA LYS A 26 30.715 3.370 -36.003 1.00 45.31 C ATOM 399 C LYS A 26 30.986 3.084 -34.530 1.00 52.32 C ATOM 400 O LYS A 26 32.035 2.545 -34.176 1.00 42.42 O ATOM 401 CB LYS A 26 32.036 3.621 -36.736 1.00 13.34 C ATOM 402 CG LYS A 26 31.865 3.902 -38.219 1.00 61.12 C ATOM 403 CD LYS A 26 31.479 2.647 -38.984 1.00 13.14 C ATOM 404 CE LYS A 26 30.851 2.983 -40.327 1.00 42.23 C ATOM 405 NZ LYS A 26 30.342 1.767 -41.022 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.000 5.275 -35.499 1.00 24.12 H new ATOM 0 HA LYS A 26 30.223 2.500 -36.439 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.545 4.465 -36.271 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.682 2.752 -36.612 1.00 13.34 H new ATOM 0 HG2 LYS A 26 31.099 4.665 -38.360 1.00 61.12 H new ATOM 0 HG3 LYS A 26 32.794 4.304 -38.623 1.00 61.12 H new ATOM 0 HD2 LYS A 26 32.363 2.028 -39.139 1.00 13.14 H new ATOM 0 HD3 LYS A 26 30.779 2.059 -38.391 1.00 13.14 H new ATOM 0 HE2 LYS A 26 30.032 3.686 -40.179 1.00 42.23 H new ATOM 0 HE3 LYS A 26 31.588 3.480 -40.958 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 29.921 2.039 -41.934 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 31.128 1.106 -41.186 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 29.620 1.306 -40.432 1.00 4.53 H new ATOM 419 N GLN A 27 30.034 3.448 -33.677 1.00 23.51 N ATOM 420 CA GLN A 27 30.171 3.228 -32.242 1.00 54.41 C ATOM 421 C GLN A 27 28.840 2.806 -31.626 1.00 32.12 C ATOM 422 O GLN A 27 27.817 3.461 -31.823 1.00 31.42 O ATOM 423 CB GLN A 27 30.682 4.497 -31.557 1.00 35.15 C ATOM 424 CG GLN A 27 29.982 4.805 -30.243 1.00 31.13 C ATOM 425 CD GLN A 27 30.757 5.783 -29.384 1.00 41.01 C ATOM 426 OE1 GLN A 27 30.826 6.975 -29.688 1.00 14.54 O ATOM 427 NE2 GLN A 27 31.345 5.286 -28.303 1.00 44.23 N ATOM 0 H GLN A 27 29.161 3.896 -33.954 1.00 23.51 H new ATOM 0 HA GLN A 27 30.892 2.425 -32.091 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.752 4.395 -31.374 1.00 35.15 H new ATOM 0 HB3 GLN A 27 30.554 5.342 -32.234 1.00 35.15 H new ATOM 0 HG2 GLN A 27 28.993 5.214 -30.450 1.00 31.13 H new ATOM 0 HG3 GLN A 27 29.834 3.878 -29.689 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.262 4.292 -28.089 1.00 44.23 H new ATOM 0 HE22 GLN A 27 31.880 5.898 -27.686 1.00 44.23 H new ATOM 436 N VAL A 28 28.863 1.706 -30.880 1.00 3.05 N ATOM 437 CA VAL A 28 27.660 1.195 -30.236 1.00 24.14 C ATOM 438 C VAL A 28 27.820 1.161 -28.720 1.00 72.01 C ATOM 439 O VAL A 28 28.580 0.355 -28.183 1.00 14.41 O ATOM 440 CB VAL A 28 27.312 -0.220 -30.736 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.080 -0.752 -30.019 1.00 4.54 C ATOM 442 CG2 VAL A 28 27.102 -0.216 -32.242 1.00 44.43 C ATOM 0 H VAL A 28 29.702 1.152 -30.707 1.00 3.05 H new ATOM 0 HA VAL A 28 26.849 1.874 -30.498 1.00 24.14 H new ATOM 0 HB VAL A 28 28.148 -0.882 -30.511 1.00 50.21 H new ATOM 0 HG11 VAL A 28 25.849 -1.752 -30.385 1.00 4.54 H new ATOM 0 HG12 VAL A 28 26.273 -0.793 -28.947 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.234 -0.092 -30.210 1.00 4.54 H new ATOM 0 HG21 VAL A 28 26.857 -1.224 -32.578 1.00 44.43 H new ATOM 0 HG22 VAL A 28 26.284 0.459 -32.494 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.014 0.119 -32.736 1.00 44.43 H new ATOM 452 N VAL A 29 27.099 2.042 -28.035 1.00 62.35 N ATOM 453 CA VAL A 29 27.159 2.114 -26.580 1.00 73.41 C ATOM 454 C VAL A 29 25.776 1.935 -25.962 1.00 41.43 C ATOM 455 O VAL A 29 24.755 2.284 -26.554 1.00 63.42 O ATOM 456 CB VAL A 29 27.751 3.455 -26.107 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.262 3.351 -25.966 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.372 4.571 -27.067 1.00 63.42 C ATOM 0 H VAL A 29 26.466 2.717 -28.465 1.00 62.35 H new ATOM 0 HA VAL A 29 27.808 1.303 -26.251 1.00 73.41 H new ATOM 0 HB VAL A 29 27.335 3.692 -25.128 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.663 4.308 -25.631 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.507 2.579 -25.236 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.700 3.091 -26.930 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.798 5.512 -26.718 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.759 4.344 -28.060 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.287 4.659 -27.112 1.00 63.42 H new ATOM 468 N PRO A 30 25.740 1.379 -24.743 1.00 73.00 N ATOM 469 CA PRO A 30 24.489 1.143 -24.017 1.00 3.14 C ATOM 470 C PRO A 30 23.834 2.439 -23.552 1.00 71.14 C ATOM 471 O PRO A 30 24.491 3.475 -23.450 1.00 11.03 O ATOM 472 CB PRO A 30 24.929 0.304 -22.814 1.00 20.11 C ATOM 473 CG PRO A 30 26.361 0.660 -22.609 1.00 44.03 C ATOM 474 CD PRO A 30 26.918 0.938 -23.977 1.00 41.22 C ATOM 0 HA PRO A 30 23.741 0.656 -24.643 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.333 0.535 -21.931 1.00 20.11 H new ATOM 0 HB3 PRO A 30 24.810 -0.762 -23.009 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.458 1.533 -21.963 1.00 44.03 H new ATOM 0 HG3 PRO A 30 26.900 -0.155 -22.126 1.00 44.03 H new ATOM 0 HD2 PRO A 30 27.689 1.708 -23.948 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.372 0.049 -24.414 1.00 41.22 H new ATOM 482 N ALA A 31 22.537 2.374 -23.273 1.00 53.34 N ATOM 483 CA ALA A 31 21.794 3.543 -22.816 1.00 43.44 C ATOM 484 C ALA A 31 20.723 3.152 -21.804 1.00 41.51 C ATOM 485 O ALA A 31 20.013 2.162 -21.986 1.00 52.01 O ATOM 486 CB ALA A 31 21.167 4.265 -23.999 1.00 11.05 C ATOM 0 H ALA A 31 21.978 1.525 -23.355 1.00 53.34 H new ATOM 0 HA ALA A 31 22.494 4.217 -22.322 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.616 5.135 -23.643 1.00 11.05 H new ATOM 0 HB2 ALA A 31 21.950 4.587 -24.685 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.485 3.591 -24.517 1.00 11.05 H new ATOM 492 N LYS A 32 20.612 3.934 -20.736 1.00 42.21 N ATOM 493 CA LYS A 32 19.626 3.670 -19.694 1.00 42.03 C ATOM 494 C LYS A 32 18.396 4.553 -19.872 1.00 53.43 C ATOM 495 O LYS A 32 18.511 5.759 -20.093 1.00 15.15 O ATOM 496 CB LYS A 32 20.239 3.906 -18.312 1.00 10.13 C ATOM 497 CG LYS A 32 20.559 5.365 -18.028 1.00 15.14 C ATOM 498 CD LYS A 32 19.472 6.021 -17.194 1.00 43.25 C ATOM 499 CE LYS A 32 19.723 5.835 -15.705 1.00 41.14 C ATOM 500 NZ LYS A 32 20.425 7.007 -15.111 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.192 4.756 -20.569 1.00 42.21 H new ATOM 0 HA LYS A 32 19.318 2.628 -19.776 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.550 3.539 -17.551 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.153 3.319 -18.224 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.512 5.434 -17.504 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.672 5.904 -18.969 1.00 15.14 H new ATOM 0 HD2 LYS A 32 19.426 7.085 -17.426 1.00 43.25 H new ATOM 0 HD3 LYS A 32 18.504 5.595 -17.457 1.00 43.25 H new ATOM 0 HE2 LYS A 32 18.773 5.682 -15.193 1.00 41.14 H new ATOM 0 HE3 LYS A 32 20.319 4.936 -15.546 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 20.578 6.842 -14.096 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 21.343 7.138 -15.583 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 19.845 7.861 -15.240 1.00 23.12 H new ATOM 514 N ALA A 33 17.217 3.946 -19.774 1.00 74.42 N ATOM 515 CA ALA A 33 15.966 4.678 -19.921 1.00 62.44 C ATOM 516 C ALA A 33 15.226 4.775 -18.592 1.00 33.43 C ATOM 517 O ALA A 33 14.831 3.761 -18.015 1.00 52.11 O ATOM 518 CB ALA A 33 15.086 4.015 -20.970 1.00 44.12 C ATOM 0 H ALA A 33 17.103 2.949 -19.593 1.00 74.42 H new ATOM 0 HA ALA A 33 16.203 5.690 -20.249 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.155 4.573 -21.069 1.00 44.12 H new ATOM 0 HB2 ALA A 33 15.606 4.005 -21.928 1.00 44.12 H new ATOM 0 HB3 ALA A 33 14.865 2.992 -20.666 1.00 44.12 H new ATOM 524 N VAL A 34 15.041 5.999 -18.109 1.00 63.33 N ATOM 525 CA VAL A 34 14.347 6.228 -16.847 1.00 45.44 C ATOM 526 C VAL A 34 12.918 6.703 -17.083 1.00 54.42 C ATOM 527 O VAL A 34 12.631 7.365 -18.080 1.00 75.20 O ATOM 528 CB VAL A 34 15.086 7.265 -15.981 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.459 7.349 -14.597 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.565 6.923 -15.885 1.00 72.31 C ATOM 0 H VAL A 34 15.362 6.849 -18.573 1.00 63.33 H new ATOM 0 HA VAL A 34 14.326 5.274 -16.320 1.00 45.44 H new ATOM 0 HB VAL A 34 14.993 8.242 -16.456 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.994 8.087 -13.999 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.414 7.645 -14.688 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.519 6.375 -14.111 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.071 7.667 -15.269 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.682 5.938 -15.434 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.003 6.919 -16.883 1.00 72.31 H new ATOM 540 N CYS A 35 12.027 6.362 -16.159 1.00 52.54 N ATOM 541 CA CYS A 35 10.626 6.753 -16.266 1.00 31.55 C ATOM 542 C CYS A 35 10.496 8.264 -16.425 1.00 12.13 C ATOM 543 O CYS A 35 10.890 9.027 -15.544 1.00 51.25 O ATOM 544 CB CYS A 35 9.850 6.288 -15.034 1.00 11.41 C ATOM 545 SG CYS A 35 10.603 6.765 -13.462 1.00 13.12 S ATOM 0 H CYS A 35 12.250 5.815 -15.327 1.00 52.54 H new ATOM 0 HA CYS A 35 10.206 6.275 -17.151 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.840 6.696 -15.079 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.757 5.202 -15.065 1.00 11.41 H new ATOM 0 HG CYS A 35 11.101 7.961 -13.565 1.00 13.12 H new ATOM 551 N GLY A 36 9.939 8.690 -17.555 1.00 33.13 N ATOM 552 CA GLY A 36 9.767 10.109 -17.808 1.00 22.01 C ATOM 553 C GLY A 36 11.031 10.761 -18.334 1.00 2.31 C ATOM 554 O GLY A 36 11.186 11.980 -18.261 1.00 12.12 O ATOM 0 H GLY A 36 9.604 8.078 -18.299 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.961 10.252 -18.528 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.462 10.605 -16.887 1.00 22.01 H new ATOM 558 N SER A 37 11.938 9.947 -18.864 1.00 14.13 N ATOM 559 CA SER A 37 13.198 10.451 -19.399 1.00 31.10 C ATOM 560 C SER A 37 13.093 10.690 -20.902 1.00 73.20 C ATOM 561 O SER A 37 12.003 10.650 -21.475 1.00 73.03 O ATOM 562 CB SER A 37 14.331 9.466 -19.107 1.00 61.42 C ATOM 563 OG SER A 37 14.220 8.306 -19.913 1.00 54.42 O ATOM 0 H SER A 37 11.824 8.936 -18.935 1.00 14.13 H new ATOM 0 HA SER A 37 13.417 11.401 -18.911 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.292 9.948 -19.289 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.310 9.184 -18.054 1.00 61.42 H new ATOM 0 HG SER A 37 13.678 7.635 -19.448 1.00 54.42 H new ATOM 569 N THR A 38 14.234 10.940 -21.537 1.00 25.44 N ATOM 570 CA THR A 38 14.271 11.187 -22.973 1.00 13.34 C ATOM 571 C THR A 38 15.575 10.683 -23.583 1.00 44.22 C ATOM 572 O THR A 38 16.638 10.782 -22.971 1.00 73.14 O ATOM 573 CB THR A 38 14.117 12.687 -23.288 1.00 44.44 C ATOM 574 OG1 THR A 38 14.383 13.465 -22.116 1.00 11.42 O ATOM 575 CG2 THR A 38 12.715 12.990 -23.797 1.00 11.40 C ATOM 0 H THR A 38 15.145 10.977 -21.079 1.00 25.44 H new ATOM 0 HA THR A 38 13.434 10.643 -23.410 1.00 13.34 H new ATOM 0 HB THR A 38 14.835 12.948 -24.066 1.00 44.44 H new ATOM 0 HG1 THR A 38 14.284 14.417 -22.326 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.629 14.055 -24.013 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.527 12.419 -24.706 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.984 12.714 -23.037 1.00 11.40 H new ATOM 583 N VAL A 39 15.484 10.142 -24.794 1.00 70.42 N ATOM 584 CA VAL A 39 16.657 9.624 -25.489 1.00 33.14 C ATOM 585 C VAL A 39 17.769 10.665 -25.542 1.00 42.12 C ATOM 586 O VAL A 39 18.875 10.434 -25.052 1.00 10.21 O ATOM 587 CB VAL A 39 16.310 9.185 -26.924 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.544 8.640 -27.628 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.194 8.151 -26.909 1.00 35.23 C ATOM 0 H VAL A 39 14.611 10.051 -25.314 1.00 70.42 H new ATOM 0 HA VAL A 39 17.002 8.757 -24.925 1.00 33.14 H new ATOM 0 HB VAL A 39 15.960 10.056 -27.478 1.00 65.42 H new ATOM 0 HG11 VAL A 39 17.280 8.335 -28.641 1.00 4.01 H new ATOM 0 HG12 VAL A 39 18.310 9.414 -27.670 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.927 7.780 -27.078 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.961 7.852 -27.931 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.514 7.278 -26.339 1.00 35.23 H new ATOM 0 HG23 VAL A 39 14.306 8.581 -26.446 1.00 35.23 H new ATOM 599 N LEU A 40 17.468 11.813 -26.140 1.00 4.40 N ATOM 600 CA LEU A 40 18.443 12.893 -26.258 1.00 4.13 C ATOM 601 C LEU A 40 19.026 13.250 -24.894 1.00 3.52 C ATOM 602 O LEU A 40 20.207 13.576 -24.780 1.00 65.40 O ATOM 603 CB LEU A 40 17.794 14.126 -26.887 1.00 11.34 C ATOM 604 CG LEU A 40 16.793 13.858 -28.013 1.00 34.30 C ATOM 605 CD1 LEU A 40 16.396 15.157 -28.694 1.00 31.55 C ATOM 606 CD2 LEU A 40 17.377 12.880 -29.023 1.00 22.30 C ATOM 0 H LEU A 40 16.557 12.020 -26.550 1.00 4.40 H new ATOM 0 HA LEU A 40 19.254 12.550 -26.901 1.00 4.13 H new ATOM 0 HB2 LEU A 40 17.285 14.685 -26.101 1.00 11.34 H new ATOM 0 HB3 LEU A 40 18.584 14.769 -27.275 1.00 11.34 H new ATOM 0 HG LEU A 40 15.898 13.411 -27.580 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.684 14.947 -29.492 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.937 15.825 -27.965 1.00 31.55 H new ATOM 0 HD13 LEU A 40 17.282 15.633 -29.115 1.00 31.55 H new ATOM 0 HD21 LEU A 40 16.652 12.701 -29.817 1.00 22.30 H new ATOM 0 HD22 LEU A 40 18.288 13.299 -29.451 1.00 22.30 H new ATOM 0 HD23 LEU A 40 17.610 11.939 -28.525 1.00 22.30 H new ATOM 618 N ASP A 41 18.190 13.186 -23.864 1.00 72.45 N ATOM 619 CA ASP A 41 18.624 13.500 -22.508 1.00 42.14 C ATOM 620 C ASP A 41 19.515 12.394 -21.953 1.00 25.23 C ATOM 621 O ASP A 41 20.357 12.637 -21.088 1.00 10.41 O ATOM 622 CB ASP A 41 17.412 13.702 -21.596 1.00 13.44 C ATOM 623 CG ASP A 41 17.699 14.656 -20.454 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.338 14.330 -19.303 1.00 41.20 O ATOM 625 OD2 ASP A 41 18.286 15.728 -20.709 1.00 64.23 O1- ATOM 0 H ASP A 41 17.208 12.920 -23.942 1.00 72.45 H new ATOM 0 HA ASP A 41 19.201 14.424 -22.542 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.578 14.085 -22.184 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.101 12.739 -21.191 1.00 13.44 H new ATOM 630 N VAL A 42 19.324 11.178 -22.453 1.00 2.11 N ATOM 631 CA VAL A 42 20.110 10.034 -22.007 1.00 13.25 C ATOM 632 C VAL A 42 21.508 10.059 -22.614 1.00 11.24 C ATOM 633 O VAL A 42 22.492 9.743 -21.946 1.00 54.34 O ATOM 634 CB VAL A 42 19.426 8.704 -22.376 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.303 7.526 -21.983 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.059 8.608 -21.715 1.00 61.21 C ATOM 0 H VAL A 42 18.631 10.959 -23.168 1.00 2.11 H new ATOM 0 HA VAL A 42 20.186 10.106 -20.922 1.00 13.25 H new ATOM 0 HB VAL A 42 19.284 8.675 -23.456 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.804 6.595 -22.251 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.256 7.591 -22.508 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.479 7.546 -20.908 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.589 7.662 -21.986 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.174 8.659 -20.632 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.433 9.434 -22.052 1.00 61.21 H new ATOM 646 N ALA A 43 21.589 10.438 -23.886 1.00 21.42 N ATOM 647 CA ALA A 43 22.868 10.506 -24.582 1.00 20.42 C ATOM 648 C ALA A 43 23.885 11.316 -23.786 1.00 42.52 C ATOM 649 O ALA A 43 25.084 11.043 -23.832 1.00 14.32 O ATOM 650 CB ALA A 43 22.682 11.107 -25.968 1.00 62.22 C ATOM 0 H ALA A 43 20.784 10.702 -24.455 1.00 21.42 H new ATOM 0 HA ALA A 43 23.252 9.491 -24.685 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.645 11.152 -26.477 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.995 10.487 -26.544 1.00 62.22 H new ATOM 0 HB3 ALA A 43 22.272 12.113 -25.876 1.00 62.22 H new ATOM 656 N HIS A 44 23.398 12.314 -23.055 1.00 12.51 N ATOM 657 CA HIS A 44 24.266 13.164 -22.247 1.00 50.24 C ATOM 658 C HIS A 44 24.755 12.420 -21.009 1.00 54.31 C ATOM 659 O HIS A 44 25.891 12.602 -20.570 1.00 12.45 O ATOM 660 CB HIS A 44 23.526 14.436 -21.832 1.00 75.20 C ATOM 661 CG HIS A 44 23.251 15.369 -22.971 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.247 16.022 -23.665 1.00 44.12 N ATOM 663 CD2 HIS A 44 22.084 15.755 -23.538 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.705 16.771 -24.608 1.00 32.52 C ATOM 665 NE2 HIS A 44 22.393 16.626 -24.553 1.00 53.52 N ATOM 0 H HIS A 44 22.408 12.554 -23.005 1.00 12.51 H new ATOM 0 HA HIS A 44 25.131 13.436 -22.851 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.581 14.160 -21.363 1.00 75.20 H new ATOM 0 HB3 HIS A 44 24.115 14.959 -21.079 1.00 75.20 H new ATOM 0 HD2 HIS A 44 21.094 15.437 -23.246 1.00 13.23 H new ATOM 0 HE1 HIS A 44 24.243 17.396 -25.306 1.00 32.52 H new ATOM 0 HE2 HIS A 44 21.719 17.086 -25.165 1.00 53.52 H new ATOM 673 N LYS A 45 23.891 11.581 -20.448 1.00 13.22 N ATOM 674 CA LYS A 45 24.236 10.807 -19.261 1.00 44.10 C ATOM 675 C LYS A 45 25.149 9.640 -19.618 1.00 71.53 C ATOM 676 O LYS A 45 26.094 9.334 -18.891 1.00 73.03 O ATOM 677 CB LYS A 45 22.967 10.285 -18.581 1.00 74.53 C ATOM 678 CG LYS A 45 21.887 11.341 -18.420 1.00 40.45 C ATOM 679 CD LYS A 45 22.330 12.455 -17.485 1.00 63.15 C ATOM 680 CE LYS A 45 22.122 12.074 -16.027 1.00 32.12 C ATOM 681 NZ LYS A 45 23.316 11.390 -15.457 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.946 11.419 -20.796 1.00 13.22 H new ATOM 0 HA LYS A 45 24.768 11.464 -18.572 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.568 9.454 -19.163 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.227 9.890 -17.599 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.639 11.760 -19.395 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.980 10.878 -18.032 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.383 12.679 -17.657 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.770 13.363 -17.708 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.904 12.970 -15.445 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.254 11.420 -15.943 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.046 10.444 -15.119 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.048 11.300 -16.191 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.689 11.948 -14.663 1.00 61.40 H new ATOM 695 N ASN A 46 24.863 8.991 -20.742 1.00 44.51 N ATOM 696 CA ASN A 46 25.660 7.858 -21.195 1.00 43.23 C ATOM 697 C ASN A 46 27.023 8.319 -21.705 1.00 15.11 C ATOM 698 O ASN A 46 27.989 7.558 -21.701 1.00 20.00 O ATOM 699 CB ASN A 46 24.922 7.097 -22.300 1.00 55.02 C ATOM 700 CG ASN A 46 25.715 5.910 -22.813 1.00 74.42 C ATOM 701 OD1 ASN A 46 25.848 5.715 -24.021 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.243 5.110 -21.894 1.00 50.43 N ATOM 0 H ASN A 46 24.085 9.231 -21.356 1.00 44.51 H new ATOM 0 HA ASN A 46 25.815 7.193 -20.345 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.961 6.751 -21.920 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.712 7.775 -23.127 1.00 55.02 H new ATOM 0 HD21 ASN A 46 26.785 4.294 -22.179 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.106 5.311 -20.903 1.00 50.43 H new ATOM 709 N GLY A 47 27.091 9.573 -22.142 1.00 71.54 N ATOM 710 CA GLY A 47 28.338 10.116 -22.647 1.00 65.12 C ATOM 711 C GLY A 47 28.325 10.297 -24.151 1.00 62.25 C ATOM 712 O GLY A 47 29.212 10.939 -24.715 1.00 22.30 O ATOM 0 H GLY A 47 26.304 10.222 -22.155 1.00 71.54 H new ATOM 0 HA2 GLY A 47 28.532 11.077 -22.170 1.00 65.12 H new ATOM 0 HA3 GLY A 47 29.158 9.452 -22.371 1.00 65.12 H new ATOM 716 N VAL A 48 27.316 9.729 -24.805 1.00 31.22 N ATOM 717 CA VAL A 48 27.190 9.832 -26.255 1.00 41.02 C ATOM 718 C VAL A 48 27.035 11.283 -26.692 1.00 3.44 C ATOM 719 O VAL A 48 26.005 11.910 -26.444 1.00 22.32 O ATOM 720 CB VAL A 48 25.988 9.019 -26.772 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.852 9.169 -28.280 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.128 7.556 -26.383 1.00 32.44 C ATOM 0 H VAL A 48 26.574 9.193 -24.354 1.00 31.22 H new ATOM 0 HA VAL A 48 28.106 9.424 -26.682 1.00 41.02 H new ATOM 0 HB VAL A 48 25.081 9.408 -26.309 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.998 8.588 -28.628 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.702 10.219 -28.529 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.759 8.807 -28.765 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.270 6.997 -26.756 1.00 32.44 H new ATOM 0 HG22 VAL A 48 27.042 7.150 -26.816 1.00 32.44 H new ATOM 0 HG23 VAL A 48 26.172 7.471 -25.297 1.00 32.44 H new ATOM 732 N ASP A 49 28.064 11.812 -27.346 1.00 40.14 N ATOM 733 CA ASP A 49 28.042 13.190 -27.820 1.00 14.22 C ATOM 734 C ASP A 49 27.091 13.343 -29.002 1.00 34.02 C ATOM 735 O ASP A 49 27.518 13.357 -30.158 1.00 75.21 O ATOM 736 CB ASP A 49 29.449 13.638 -28.219 1.00 52.55 C ATOM 737 CG ASP A 49 29.559 15.143 -28.364 1.00 23.12 C ATOM 738 OD1 ASP A 49 29.223 15.660 -29.450 1.00 1.55 O ATOM 739 OD2 ASP A 49 29.981 15.802 -27.392 1.00 61.21 O1- ATOM 0 H ASP A 49 28.924 11.306 -27.560 1.00 40.14 H new ATOM 0 HA ASP A 49 27.686 13.822 -27.007 1.00 14.22 H new ATOM 0 HB2 ASP A 49 30.162 13.295 -27.469 1.00 52.55 H new ATOM 0 HB3 ASP A 49 29.724 13.164 -29.161 1.00 52.55 H new ATOM 744 N LEU A 50 25.801 13.455 -28.708 1.00 12.10 N ATOM 745 CA LEU A 50 24.789 13.605 -29.748 1.00 14.20 C ATOM 746 C LEU A 50 23.961 14.868 -29.524 1.00 31.24 C ATOM 747 O LEU A 50 23.713 15.264 -28.386 1.00 24.23 O ATOM 748 CB LEU A 50 23.873 12.381 -29.776 1.00 11.15 C ATOM 749 CG LEU A 50 23.305 11.999 -31.144 1.00 12.15 C ATOM 750 CD1 LEU A 50 24.222 11.010 -31.846 1.00 70.43 C ATOM 751 CD2 LEU A 50 21.906 11.419 -30.997 1.00 5.33 C ATOM 0 H LEU A 50 25.430 13.445 -27.758 1.00 12.10 H new ATOM 0 HA LEU A 50 25.299 13.692 -30.707 1.00 14.20 H new ATOM 0 HB2 LEU A 50 24.427 11.528 -29.384 1.00 11.15 H new ATOM 0 HB3 LEU A 50 23.040 12.560 -29.096 1.00 11.15 H new ATOM 0 HG LEU A 50 23.242 12.900 -31.754 1.00 12.15 H new ATOM 0 HD11 LEU A 50 23.801 10.750 -32.817 1.00 70.43 H new ATOM 0 HD12 LEU A 50 25.205 11.460 -31.985 1.00 70.43 H new ATOM 0 HD13 LEU A 50 24.318 10.109 -31.240 1.00 70.43 H new ATOM 0 HD21 LEU A 50 21.517 11.153 -31.980 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.945 10.529 -30.369 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.252 12.159 -30.536 1.00 5.33 H new ATOM 763 N GLU A 51 23.538 15.493 -30.619 1.00 42.03 N ATOM 764 CA GLU A 51 22.738 16.710 -30.541 1.00 10.23 C ATOM 765 C GLU A 51 21.248 16.385 -30.598 1.00 13.54 C ATOM 766 O GLU A 51 20.842 15.380 -31.179 1.00 53.10 O ATOM 767 CB GLU A 51 23.108 17.662 -31.679 1.00 31.11 C ATOM 768 CG GLU A 51 22.508 19.051 -31.529 1.00 52.24 C ATOM 769 CD GLU A 51 22.947 19.741 -30.251 1.00 43.15 C ATOM 770 OE1 GLU A 51 24.031 19.396 -29.735 1.00 1.52 O ATOM 771 OE2 GLU A 51 22.207 20.623 -29.769 1.00 52.23 O1- ATOM 0 H GLU A 51 23.736 15.177 -31.569 1.00 42.03 H new ATOM 0 HA GLU A 51 22.950 17.195 -29.588 1.00 10.23 H new ATOM 0 HB2 GLU A 51 24.193 17.748 -31.732 1.00 31.11 H new ATOM 0 HB3 GLU A 51 22.776 17.232 -32.624 1.00 31.11 H new ATOM 0 HG2 GLU A 51 22.796 19.662 -32.385 1.00 52.24 H new ATOM 0 HG3 GLU A 51 21.421 18.976 -31.542 1.00 52.24 H new ATOM 778 N GLY A 52 20.438 17.244 -29.987 1.00 12.13 N ATOM 779 CA GLY A 52 19.003 17.033 -29.978 1.00 24.25 C ATOM 780 C GLY A 52 18.300 17.774 -31.099 1.00 2.30 C ATOM 781 O GLY A 52 18.729 18.854 -31.501 1.00 4.31 O ATOM 0 H GLY A 52 20.751 18.083 -29.498 1.00 12.13 H new ATOM 0 HA2 GLY A 52 18.795 15.967 -30.066 1.00 24.25 H new ATOM 0 HA3 GLY A 52 18.597 17.359 -29.021 1.00 24.25 H new ATOM 785 N ALA A 53 17.219 17.190 -31.606 1.00 52.12 N ATOM 786 CA ALA A 53 16.456 17.802 -32.687 1.00 33.42 C ATOM 787 C ALA A 53 15.285 18.612 -32.142 1.00 10.05 C ATOM 788 O ALA A 53 15.326 19.842 -32.116 1.00 55.30 O ATOM 789 CB ALA A 53 15.959 16.736 -33.652 1.00 50.15 C ATOM 0 H ALA A 53 16.852 16.294 -31.285 1.00 52.12 H new ATOM 0 HA ALA A 53 17.116 18.483 -33.224 1.00 33.42 H new ATOM 0 HB1 ALA A 53 15.391 17.208 -34.454 1.00 50.15 H new ATOM 0 HB2 ALA A 53 16.810 16.203 -34.075 1.00 50.15 H new ATOM 0 HB3 ALA A 53 15.319 16.033 -33.119 1.00 50.15 H new ATOM 795 N CYS A 54 14.240 17.914 -31.707 1.00 34.24 N ATOM 796 CA CYS A 54 13.056 18.568 -31.163 1.00 31.12 C ATOM 797 C CYS A 54 13.421 19.453 -29.974 1.00 14.45 C ATOM 798 O CYS A 54 14.289 19.107 -29.174 1.00 72.33 O ATOM 799 CB CYS A 54 12.022 17.524 -30.737 1.00 13.14 C ATOM 800 SG CYS A 54 10.954 16.939 -32.092 1.00 52.32 S ATOM 0 H CYS A 54 14.190 16.895 -31.721 1.00 34.24 H new ATOM 0 HA CYS A 54 12.628 19.197 -31.944 1.00 31.12 H new ATOM 0 HB2 CYS A 54 12.542 16.669 -30.304 1.00 13.14 H new ATOM 0 HB3 CYS A 54 11.396 17.948 -29.952 1.00 13.14 H new ATOM 805 N GLU A 55 12.752 20.597 -29.868 1.00 44.31 N ATOM 806 CA GLU A 55 13.006 21.531 -28.778 1.00 23.53 C ATOM 807 C GLU A 55 11.948 21.397 -27.687 1.00 64.25 C ATOM 808 O GLU A 55 12.241 20.967 -26.573 1.00 31.55 O ATOM 809 CB GLU A 55 13.032 22.968 -29.304 1.00 10.53 C ATOM 810 CG GLU A 55 13.762 23.938 -28.390 1.00 5.40 C ATOM 811 CD GLU A 55 15.260 23.948 -28.627 1.00 64.45 C ATOM 812 OE1 GLU A 55 15.712 24.678 -29.532 1.00 45.22 O ATOM 813 OE2 GLU A 55 15.980 23.224 -27.906 1.00 62.34 O1- ATOM 0 H GLU A 55 12.031 20.899 -30.523 1.00 44.31 H new ATOM 0 HA GLU A 55 13.978 21.291 -28.348 1.00 23.53 H new ATOM 0 HB2 GLU A 55 13.508 22.978 -30.285 1.00 10.53 H new ATOM 0 HB3 GLU A 55 12.008 23.314 -29.443 1.00 10.53 H new ATOM 0 HG2 GLU A 55 13.367 24.942 -28.543 1.00 5.40 H new ATOM 0 HG3 GLU A 55 13.564 23.672 -27.352 1.00 5.40 H new ATOM 820 N GLY A 56 10.714 21.766 -28.019 1.00 75.32 N ATOM 821 CA GLY A 56 9.630 21.681 -27.057 1.00 1.23 C ATOM 822 C GLY A 56 8.268 21.846 -27.704 1.00 63.33 C ATOM 823 O GLY A 56 7.683 20.879 -28.188 1.00 13.22 O ATOM 0 H GLY A 56 10.446 22.122 -28.936 1.00 75.32 H new ATOM 0 HA2 GLY A 56 9.674 20.718 -26.549 1.00 1.23 H new ATOM 0 HA3 GLY A 56 9.763 22.449 -26.295 1.00 1.23 H new ATOM 827 N ASN A 57 7.763 23.075 -27.708 1.00 3.24 N ATOM 828 CA ASN A 57 6.459 23.363 -28.297 1.00 41.34 C ATOM 829 C ASN A 57 6.590 23.657 -29.788 1.00 5.42 C ATOM 830 O ASN A 57 5.983 22.983 -30.620 1.00 72.25 O ATOM 831 CB ASN A 57 5.807 24.551 -27.586 1.00 73.33 C ATOM 832 CG ASN A 57 4.485 24.945 -28.215 1.00 30.11 C ATOM 833 OD1 ASN A 57 3.438 24.386 -27.885 1.00 73.05 O ATOM 834 ND2 ASN A 57 4.527 25.911 -29.124 1.00 42.23 N ATOM 0 H ASN A 57 8.236 23.887 -27.311 1.00 3.24 H new ATOM 0 HA ASN A 57 5.828 22.483 -28.172 1.00 41.34 H new ATOM 0 HB2 ASN A 57 5.647 24.300 -26.537 1.00 73.33 H new ATOM 0 HB3 ASN A 57 6.486 25.403 -27.610 1.00 73.33 H new ATOM 0 HD21 ASN A 57 3.669 26.219 -29.581 1.00 42.23 H new ATOM 0 HD22 ASN A 57 5.418 26.345 -29.366 1.00 42.23 H new ATOM 841 N LEU A 58 7.386 24.668 -30.119 1.00 4.42 N ATOM 842 CA LEU A 58 7.597 25.053 -31.510 1.00 41.34 C ATOM 843 C LEU A 58 8.080 23.864 -32.335 1.00 13.11 C ATOM 844 O LEU A 58 8.960 23.118 -31.911 1.00 5.40 O ATOM 845 CB LEU A 58 8.612 26.194 -31.596 1.00 23.44 C ATOM 846 CG LEU A 58 10.083 25.794 -31.490 1.00 3.22 C ATOM 847 CD1 LEU A 58 10.983 26.983 -31.788 1.00 33.31 C ATOM 848 CD2 LEU A 58 10.384 25.228 -30.110 1.00 72.14 C ATOM 0 H LEU A 58 7.896 25.236 -29.443 1.00 4.42 H new ATOM 0 HA LEU A 58 6.644 25.392 -31.917 1.00 41.34 H new ATOM 0 HB2 LEU A 58 8.465 26.713 -32.543 1.00 23.44 H new ATOM 0 HB3 LEU A 58 8.393 26.909 -30.803 1.00 23.44 H new ATOM 0 HG LEU A 58 10.283 25.019 -32.230 1.00 3.22 H new ATOM 0 HD11 LEU A 58 12.027 26.679 -31.708 1.00 33.31 H new ATOM 0 HD12 LEU A 58 10.787 27.344 -32.798 1.00 33.31 H new ATOM 0 HD13 LEU A 58 10.781 27.780 -31.073 1.00 33.31 H new ATOM 0 HD21 LEU A 58 11.436 24.949 -30.053 1.00 72.14 H new ATOM 0 HD22 LEU A 58 10.167 25.981 -29.353 1.00 72.14 H new ATOM 0 HD23 LEU A 58 9.765 24.348 -29.935 1.00 72.14 H new ATOM 860 N ALA A 59 7.499 23.698 -33.519 1.00 41.33 N ATOM 861 CA ALA A 59 7.873 22.604 -34.406 1.00 2.32 C ATOM 862 C ALA A 59 9.357 22.662 -34.755 1.00 51.33 C ATOM 863 O ALA A 59 10.013 23.685 -34.553 1.00 34.41 O ATOM 864 CB ALA A 59 7.029 22.639 -35.672 1.00 14.22 C ATOM 0 H ALA A 59 6.768 24.307 -33.886 1.00 41.33 H new ATOM 0 HA ALA A 59 7.686 21.666 -33.884 1.00 2.32 H new ATOM 0 HB1 ALA A 59 7.319 21.816 -36.326 1.00 14.22 H new ATOM 0 HB2 ALA A 59 5.976 22.540 -35.410 1.00 14.22 H new ATOM 0 HB3 ALA A 59 7.187 23.586 -36.189 1.00 14.22 H new ATOM 870 N CYS A 60 9.880 21.560 -35.280 1.00 2.12 N ATOM 871 CA CYS A 60 11.287 21.486 -35.657 1.00 54.43 C ATOM 872 C CYS A 60 11.436 21.143 -37.136 1.00 5.00 C ATOM 873 O CYS A 60 10.447 21.023 -37.860 1.00 74.54 O ATOM 874 CB CYS A 60 12.010 20.441 -34.805 1.00 24.54 C ATOM 875 SG CYS A 60 11.518 18.722 -35.160 1.00 11.23 S ATOM 0 H CYS A 60 9.351 20.705 -35.454 1.00 2.12 H new ATOM 0 HA CYS A 60 11.737 22.463 -35.481 1.00 54.43 H new ATOM 0 HB2 CYS A 60 13.084 20.540 -34.962 1.00 24.54 H new ATOM 0 HB3 CYS A 60 11.821 20.652 -33.752 1.00 24.54 H new ATOM 880 N SER A 61 12.680 20.987 -37.580 1.00 41.10 N ATOM 881 CA SER A 61 12.960 20.662 -38.974 1.00 5.01 C ATOM 882 C SER A 61 12.679 19.189 -39.255 1.00 10.13 C ATOM 883 O SER A 61 12.200 18.459 -38.387 1.00 62.51 O ATOM 884 CB SER A 61 14.415 20.990 -39.313 1.00 20.22 C ATOM 885 OG SER A 61 14.765 22.287 -38.863 1.00 65.32 O ATOM 0 H SER A 61 13.510 21.081 -36.994 1.00 41.10 H new ATOM 0 HA SER A 61 12.304 21.265 -39.602 1.00 5.01 H new ATOM 0 HB2 SER A 61 15.073 20.253 -38.854 1.00 20.22 H new ATOM 0 HB3 SER A 61 14.564 20.923 -40.391 1.00 20.22 H new ATOM 0 HG SER A 61 15.700 22.471 -39.091 1.00 65.32 H new ATOM 891 N THR A 62 12.981 18.758 -40.476 1.00 5.34 N ATOM 892 CA THR A 62 12.760 17.374 -40.874 1.00 25.42 C ATOM 893 C THR A 62 13.400 16.408 -39.882 1.00 13.55 C ATOM 894 O THR A 62 14.499 16.651 -39.385 1.00 62.32 O ATOM 895 CB THR A 62 13.326 17.097 -42.280 1.00 15.43 C ATOM 896 OG1 THR A 62 12.995 15.764 -42.687 1.00 10.45 O ATOM 897 CG2 THR A 62 14.835 17.279 -42.302 1.00 33.53 C ATOM 0 H THR A 62 13.379 19.348 -41.206 1.00 5.34 H new ATOM 0 HA THR A 62 11.681 17.217 -40.887 1.00 25.42 H new ATOM 0 HB THR A 62 12.880 17.810 -42.974 1.00 15.43 H new ATOM 0 HG1 THR A 62 13.357 15.596 -43.582 1.00 10.45 H new ATOM 0 HG21 THR A 62 15.211 17.078 -43.305 1.00 33.53 H new ATOM 0 HG22 THR A 62 15.082 18.303 -42.020 1.00 33.53 H new ATOM 0 HG23 THR A 62 15.295 16.587 -41.597 1.00 33.53 H new ATOM 905 N CYS A 63 12.704 15.312 -39.600 1.00 12.42 N ATOM 906 CA CYS A 63 13.204 14.308 -38.668 1.00 3.52 C ATOM 907 C CYS A 63 13.292 12.940 -39.337 1.00 2.45 C ATOM 908 O CYS A 63 12.476 12.603 -40.195 1.00 4.13 O ATOM 909 CB CYS A 63 12.296 14.229 -37.438 1.00 25.53 C ATOM 910 SG CYS A 63 10.519 14.149 -37.828 1.00 22.10 S ATOM 0 H CYS A 63 11.792 15.096 -40.003 1.00 12.42 H new ATOM 0 HA CYS A 63 14.205 14.604 -38.355 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.569 13.350 -36.855 1.00 25.53 H new ATOM 0 HB3 CYS A 63 12.480 15.099 -36.808 1.00 25.53 H new ATOM 915 N HIS A 64 14.288 12.156 -38.938 1.00 63.44 N ATOM 916 CA HIS A 64 14.484 10.823 -39.500 1.00 3.42 C ATOM 917 C HIS A 64 15.648 10.112 -38.817 1.00 30.22 C ATOM 918 O HIS A 64 16.799 10.536 -38.926 1.00 61.33 O ATOM 919 CB HIS A 64 14.738 10.912 -41.004 1.00 52.43 C ATOM 920 CG HIS A 64 15.869 11.823 -41.368 1.00 13.30 C ATOM 921 ND1 HIS A 64 17.087 11.365 -41.825 1.00 62.35 N ATOM 922 CD2 HIS A 64 15.963 13.173 -41.341 1.00 65.44 C ATOM 923 CE1 HIS A 64 17.881 12.394 -42.062 1.00 13.15 C ATOM 924 NE2 HIS A 64 17.222 13.503 -41.777 1.00 23.12 N ATOM 0 H HIS A 64 14.972 12.420 -38.228 1.00 63.44 H new ATOM 0 HA HIS A 64 13.576 10.246 -39.327 1.00 3.42 H new ATOM 0 HB2 HIS A 64 14.948 9.914 -41.388 1.00 52.43 H new ATOM 0 HB3 HIS A 64 13.830 11.259 -41.497 1.00 52.43 H new ATOM 0 HD2 HIS A 64 15.191 13.863 -41.033 1.00 65.44 H new ATOM 0 HE1 HIS A 64 18.896 12.338 -42.427 1.00 13.15 H new ATOM 0 HE2 HIS A 64 17.589 14.450 -41.866 1.00 23.12 H new ATOM 932 N VAL A 65 15.341 9.028 -38.110 1.00 61.11 N ATOM 933 CA VAL A 65 16.362 8.257 -37.410 1.00 32.34 C ATOM 934 C VAL A 65 16.271 6.777 -37.762 1.00 22.50 C ATOM 935 O VAL A 65 15.214 6.287 -38.162 1.00 34.33 O ATOM 936 CB VAL A 65 16.238 8.419 -35.884 1.00 11.13 C ATOM 937 CG1 VAL A 65 14.983 7.726 -35.373 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.476 7.876 -35.188 1.00 23.01 C ATOM 0 H VAL A 65 14.394 8.664 -38.007 1.00 61.11 H new ATOM 0 HA VAL A 65 17.328 8.645 -37.732 1.00 32.34 H new ATOM 0 HB VAL A 65 16.157 9.482 -35.655 1.00 11.13 H new ATOM 0 HG11 VAL A 65 14.912 7.851 -34.293 1.00 72.25 H new ATOM 0 HG12 VAL A 65 14.106 8.166 -35.847 1.00 72.25 H new ATOM 0 HG13 VAL A 65 15.031 6.664 -35.613 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.371 7.999 -34.110 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.591 6.818 -35.423 1.00 23.01 H new ATOM 0 HG23 VAL A 65 18.355 8.421 -35.531 1.00 23.01 H new ATOM 948 N ILE A 66 17.386 6.069 -37.611 1.00 21.12 N ATOM 949 CA ILE A 66 17.431 4.643 -37.912 1.00 32.41 C ATOM 950 C ILE A 66 17.090 3.811 -36.681 1.00 54.10 C ATOM 951 O ILE A 66 17.547 4.101 -35.575 1.00 14.31 O ATOM 952 CB ILE A 66 18.817 4.223 -38.435 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.148 4.970 -39.728 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.865 2.719 -38.659 1.00 64.43 C ATOM 955 CD1 ILE A 66 19.859 6.285 -39.501 1.00 62.21 C ATOM 0 H ILE A 66 18.269 6.459 -37.282 1.00 21.12 H new ATOM 0 HA ILE A 66 16.688 4.460 -38.688 1.00 32.41 H new ATOM 0 HB ILE A 66 19.565 4.484 -37.686 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.771 4.333 -40.357 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.225 5.155 -40.277 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.851 2.437 -39.029 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.670 2.205 -37.718 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.109 2.436 -39.391 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.062 6.759 -40.461 1.00 62.21 H new ATOM 0 HD12 ILE A 66 19.229 6.940 -38.899 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.799 6.105 -38.979 1.00 62.21 H new ATOM 967 N LEU A 67 16.284 2.774 -36.881 1.00 62.31 N ATOM 968 CA LEU A 67 15.882 1.896 -35.787 1.00 64.04 C ATOM 969 C LEU A 67 16.135 0.434 -36.141 1.00 12.11 C ATOM 970 O LEU A 67 16.291 0.087 -37.311 1.00 61.41 O ATOM 971 CB LEU A 67 14.403 2.103 -35.457 1.00 53.02 C ATOM 972 CG LEU A 67 14.009 1.914 -33.992 1.00 54.25 C ATOM 973 CD1 LEU A 67 14.786 2.871 -33.102 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.511 2.114 -33.813 1.00 10.33 C ATOM 0 H LEU A 67 15.896 2.521 -37.790 1.00 62.31 H new ATOM 0 HA LEU A 67 16.482 2.149 -34.913 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.121 3.111 -35.761 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.816 1.412 -36.062 1.00 53.02 H new ATOM 0 HG LEU A 67 14.258 0.894 -33.698 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.492 2.722 -32.063 1.00 12.14 H new ATOM 0 HD12 LEU A 67 15.854 2.680 -33.208 1.00 12.14 H new ATOM 0 HD13 LEU A 67 14.570 3.898 -33.396 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.248 1.976 -32.764 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.239 3.122 -34.125 1.00 10.33 H new ATOM 0 HD23 LEU A 67 11.972 1.388 -34.421 1.00 10.33 H new ATOM 986 N GLU A 68 16.174 -0.419 -35.121 1.00 71.02 N ATOM 987 CA GLU A 68 16.407 -1.843 -35.326 1.00 2.24 C ATOM 988 C GLU A 68 15.579 -2.368 -36.496 1.00 45.14 C ATOM 989 O GLU A 68 14.432 -1.963 -36.687 1.00 70.41 O ATOM 990 CB GLU A 68 16.067 -2.626 -34.055 1.00 2.12 C ATOM 991 CG GLU A 68 17.262 -3.335 -33.441 1.00 61.11 C ATOM 992 CD GLU A 68 17.256 -4.828 -33.708 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.929 -5.260 -34.667 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.579 -5.563 -32.959 1.00 54.52 O1- ATOM 0 H GLU A 68 16.047 -0.148 -34.146 1.00 71.02 H new ATOM 0 HA GLU A 68 17.463 -1.982 -35.559 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.643 -1.942 -33.319 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.297 -3.362 -34.287 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.180 -2.902 -33.839 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.268 -3.162 -32.365 1.00 61.11 H new ATOM 1001 N GLU A 69 16.169 -3.268 -37.275 1.00 22.44 N ATOM 1002 CA GLU A 69 15.487 -3.846 -38.426 1.00 73.04 C ATOM 1003 C GLU A 69 14.197 -4.543 -38.001 1.00 43.43 C ATOM 1004 O GLU A 69 13.101 -4.199 -38.445 1.00 23.14 O ATOM 1005 CB GLU A 69 16.402 -4.840 -39.145 1.00 71.35 C ATOM 1006 CG GLU A 69 16.783 -4.409 -40.550 1.00 42.54 C ATOM 1007 CD GLU A 69 17.811 -5.327 -41.184 1.00 13.13 C ATOM 1008 OE1 GLU A 69 18.779 -5.700 -40.490 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.647 -5.672 -42.372 1.00 42.34 O1- ATOM 0 H GLU A 69 17.118 -3.613 -37.130 1.00 22.44 H new ATOM 0 HA GLU A 69 15.235 -3.035 -39.110 1.00 73.04 H new ATOM 0 HB2 GLU A 69 17.310 -4.976 -38.557 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.905 -5.809 -39.193 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.889 -4.385 -41.174 1.00 42.54 H new ATOM 0 HG3 GLU A 69 17.178 -3.393 -40.520 1.00 42.54 H new ATOM 1016 N PRO A 70 14.329 -5.546 -37.120 1.00 54.22 N ATOM 1017 CA PRO A 70 13.186 -6.313 -36.616 1.00 20.10 C ATOM 1018 C PRO A 70 12.298 -5.487 -35.691 1.00 1.22 C ATOM 1019 O PRO A 70 11.076 -5.460 -35.847 1.00 33.25 O ATOM 1020 CB PRO A 70 13.841 -7.461 -35.845 1.00 54.11 C ATOM 1021 CG PRO A 70 15.177 -6.935 -35.445 1.00 53.54 C ATOM 1022 CD PRO A 70 15.605 -6.009 -36.550 1.00 23.21 C ATOM 0 HA PRO A 70 12.529 -6.643 -37.421 1.00 20.10 H new ATOM 0 HB2 PRO A 70 13.249 -7.741 -34.974 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.936 -8.352 -36.466 1.00 54.11 H new ATOM 0 HG2 PRO A 70 15.119 -6.407 -34.493 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.893 -7.746 -35.316 1.00 53.54 H new ATOM 0 HD2 PRO A 70 16.200 -5.179 -36.170 1.00 23.21 H new ATOM 0 HD3 PRO A 70 16.214 -6.524 -37.293 1.00 23.21 H new ATOM 1030 N LEU A 71 12.919 -4.814 -34.728 1.00 73.21 N ATOM 1031 CA LEU A 71 12.184 -3.987 -33.777 1.00 71.13 C ATOM 1032 C LEU A 71 11.258 -3.016 -34.501 1.00 14.24 C ATOM 1033 O LEU A 71 10.088 -2.875 -34.147 1.00 22.31 O ATOM 1034 CB LEU A 71 13.158 -3.213 -32.887 1.00 11.33 C ATOM 1035 CG LEU A 71 12.574 -2.638 -31.595 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.620 -2.635 -30.492 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.040 -1.233 -31.830 1.00 52.41 C ATOM 0 H LEU A 71 13.929 -4.825 -34.585 1.00 73.21 H new ATOM 0 HA LEU A 71 11.576 -4.644 -33.155 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.984 -3.874 -32.626 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.578 -2.393 -33.469 1.00 11.33 H new ATOM 0 HG LEU A 71 11.745 -3.272 -31.280 1.00 51.51 H new ATOM 0 HD11 LEU A 71 13.187 -2.223 -29.581 1.00 70.15 H new ATOM 0 HD12 LEU A 71 13.955 -3.655 -30.305 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.470 -2.025 -30.798 1.00 70.15 H new ATOM 0 HD21 LEU A 71 11.629 -0.840 -30.900 1.00 52.41 H new ATOM 0 HD22 LEU A 71 12.850 -0.588 -32.170 1.00 52.41 H new ATOM 0 HD23 LEU A 71 11.258 -1.263 -32.589 1.00 52.41 H new ATOM 1049 N TYR A 72 11.789 -2.348 -35.520 1.00 23.13 N ATOM 1050 CA TYR A 72 11.011 -1.389 -36.295 1.00 72.33 C ATOM 1051 C TYR A 72 9.932 -2.097 -37.111 1.00 64.33 C ATOM 1052 O TYR A 72 8.762 -1.718 -37.072 1.00 54.01 O ATOM 1053 CB TYR A 72 11.926 -0.591 -37.225 1.00 62.53 C ATOM 1054 CG TYR A 72 11.213 0.510 -37.978 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.543 0.243 -39.166 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.208 1.815 -37.503 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.890 1.244 -39.858 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.558 2.822 -38.188 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.900 2.532 -39.365 1.00 14.41 C ATOM 1060 OH TYR A 72 9.251 3.534 -40.051 1.00 23.11 O ATOM 0 H TYR A 72 12.756 -2.453 -35.828 1.00 23.13 H new ATOM 0 HA TYR A 72 10.526 -0.705 -35.598 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.734 -0.154 -36.639 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.385 -1.272 -37.942 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.533 -0.765 -39.555 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.722 2.046 -36.582 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.374 1.019 -40.780 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.565 3.832 -37.804 1.00 12.54 H new ATOM 0 HH TYR A 72 9.832 3.871 -40.765 1.00 23.11 H new ATOM 1070 N ARG A 73 10.335 -3.126 -37.847 1.00 65.44 N ATOM 1071 CA ARG A 73 9.405 -3.887 -38.672 1.00 14.13 C ATOM 1072 C ARG A 73 8.213 -4.365 -37.848 1.00 11.43 C ATOM 1073 O ARG A 73 7.066 -4.280 -38.286 1.00 2.21 O ATOM 1074 CB ARG A 73 10.114 -5.085 -39.306 1.00 24.52 C ATOM 1075 CG ARG A 73 9.537 -5.492 -40.652 1.00 20.20 C ATOM 1076 CD ARG A 73 9.020 -6.922 -40.628 1.00 62.31 C ATOM 1077 NE ARG A 73 7.853 -7.067 -39.763 1.00 14.20 N ATOM 1078 CZ ARG A 73 6.617 -6.757 -40.139 1.00 65.04 C ATOM 1079 NH1 ARG A 73 6.389 -6.289 -41.358 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 5.605 -6.917 -39.295 1.00 13.35 N ATOM 0 H ARG A 73 11.300 -3.453 -37.889 1.00 65.44 H new ATOM 0 HA ARG A 73 9.039 -3.231 -39.462 1.00 14.13 H new ATOM 0 HB2 ARG A 73 11.170 -4.847 -39.430 1.00 24.52 H new ATOM 0 HB3 ARG A 73 10.056 -5.933 -38.624 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.726 -4.815 -40.921 1.00 20.20 H new ATOM 0 HG3 ARG A 73 10.302 -5.394 -41.422 1.00 20.20 H new ATOM 0 HD2 ARG A 73 8.761 -7.231 -41.641 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.811 -7.588 -40.284 1.00 62.31 H new ATOM 0 HE ARG A 73 7.994 -7.426 -38.819 1.00 14.20 H new ATOM 0 HH11 ARG A 73 7.164 -6.166 -42.010 1.00 12.32 H new ATOM 0 HH12 ARG A 73 5.439 -6.052 -41.644 1.00 12.32 H new ATOM 0 HH21 ARG A 73 5.776 -7.278 -38.357 1.00 13.35 H new ATOM 0 HH22 ARG A 73 4.657 -6.679 -39.585 1.00 13.35 H new ATOM 1094 N LYS A 74 8.493 -4.869 -36.650 1.00 33.12 N ATOM 1095 CA LYS A 74 7.445 -5.361 -35.763 1.00 31.02 C ATOM 1096 C LYS A 74 6.727 -4.204 -35.076 1.00 63.21 C ATOM 1097 O LYS A 74 5.552 -4.313 -34.722 1.00 75.00 O ATOM 1098 CB LYS A 74 8.039 -6.301 -34.712 1.00 65.31 C ATOM 1099 CG LYS A 74 8.619 -7.578 -35.297 1.00 40.52 C ATOM 1100 CD LYS A 74 9.081 -8.531 -34.208 1.00 34.44 C ATOM 1101 CE LYS A 74 9.068 -9.974 -34.687 1.00 41.15 C ATOM 1102 NZ LYS A 74 7.682 -10.499 -34.830 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.437 -4.947 -36.271 1.00 33.12 H new ATOM 0 HA LYS A 74 6.721 -5.909 -36.366 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.821 -5.774 -34.165 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.265 -6.561 -33.990 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.869 -8.069 -35.917 1.00 40.52 H new ATOM 0 HG3 LYS A 74 9.459 -7.333 -35.947 1.00 40.52 H new ATOM 0 HD2 LYS A 74 10.088 -8.261 -33.890 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.434 -8.430 -33.336 1.00 34.44 H new ATOM 0 HE2 LYS A 74 9.583 -10.043 -35.645 1.00 41.15 H new ATOM 0 HE3 LYS A 74 9.621 -10.595 -33.982 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 7.707 -11.538 -34.873 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 7.112 -10.200 -34.013 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 7.258 -10.126 -35.703 1.00 30.01 H new ATOM 1116 N LEU A 75 7.438 -3.097 -34.894 1.00 52.50 N ATOM 1117 CA LEU A 75 6.867 -1.918 -34.251 1.00 65.55 C ATOM 1118 C LEU A 75 5.843 -1.245 -35.158 1.00 75.21 C ATOM 1119 O LEU A 75 4.666 -1.141 -34.814 1.00 64.44 O ATOM 1120 CB LEU A 75 7.973 -0.926 -33.886 1.00 21.23 C ATOM 1121 CG LEU A 75 7.508 0.453 -33.415 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.257 0.332 -32.560 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.617 1.154 -32.643 1.00 51.32 C ATOM 0 H LEU A 75 8.411 -2.991 -35.182 1.00 52.50 H new ATOM 0 HA LEU A 75 6.361 -2.240 -33.341 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.586 -1.369 -33.101 1.00 21.23 H new ATOM 0 HB3 LEU A 75 8.616 -0.793 -34.756 1.00 21.23 H new ATOM 0 HG LEU A 75 7.267 1.053 -34.293 1.00 41.12 H new ATOM 0 HD11 LEU A 75 5.942 1.323 -32.234 1.00 62.14 H new ATOM 0 HD12 LEU A 75 5.460 -0.129 -33.144 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.471 -0.285 -31.688 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.269 2.134 -32.315 1.00 51.32 H new ATOM 0 HD22 LEU A 75 8.889 0.556 -31.773 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.488 1.275 -33.287 1.00 51.32 H new ATOM 1135 N GLY A 76 6.299 -0.790 -36.322 1.00 21.42 N ATOM 1136 CA GLY A 76 5.409 -0.136 -37.263 1.00 10.52 C ATOM 1137 C GLY A 76 6.146 0.427 -38.463 1.00 14.51 C ATOM 1138 O GLY A 76 7.171 1.090 -38.313 1.00 71.33 O ATOM 0 H GLY A 76 7.269 -0.863 -36.629 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.658 -0.849 -37.603 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.878 0.669 -36.756 1.00 10.52 H new ATOM 1142 N GLU A 77 5.623 0.159 -39.655 1.00 31.22 N ATOM 1143 CA GLU A 77 6.241 0.641 -40.885 1.00 3.31 C ATOM 1144 C GLU A 77 5.657 1.990 -41.294 1.00 55.51 C ATOM 1145 O GLU A 77 4.571 2.382 -40.865 1.00 65.31 O ATOM 1146 CB GLU A 77 6.044 -0.375 -42.012 1.00 60.22 C ATOM 1147 CG GLU A 77 7.140 -1.425 -42.084 1.00 64.43 C ATOM 1148 CD GLU A 77 7.557 -1.737 -43.508 1.00 52.41 C ATOM 1149 OE1 GLU A 77 8.423 -1.014 -44.043 1.00 31.24 O ATOM 1150 OE2 GLU A 77 7.016 -2.702 -44.087 1.00 22.41 O1- ATOM 0 H GLU A 77 4.774 -0.389 -39.795 1.00 31.22 H new ATOM 0 HA GLU A 77 7.308 0.767 -40.701 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.084 -0.873 -41.877 1.00 60.22 H new ATOM 0 HB3 GLU A 77 5.997 0.155 -42.963 1.00 60.22 H new ATOM 0 HG2 GLU A 77 8.008 -1.078 -41.523 1.00 64.43 H new ATOM 0 HG3 GLU A 77 6.794 -2.339 -41.602 1.00 64.43 H new ATOM 1157 N PRO A 78 6.395 2.721 -42.142 1.00 13.34 N ATOM 1158 CA PRO A 78 5.972 4.038 -42.628 1.00 21.23 C ATOM 1159 C PRO A 78 4.785 3.950 -43.582 1.00 62.01 C ATOM 1160 O PRO A 78 4.547 2.911 -44.197 1.00 42.25 O ATOM 1161 CB PRO A 78 7.210 4.560 -43.362 1.00 40.44 C ATOM 1162 CG PRO A 78 7.952 3.335 -43.772 1.00 2.43 C ATOM 1163 CD PRO A 78 7.699 2.317 -42.693 1.00 41.44 C ATOM 0 HA PRO A 78 5.637 4.684 -41.816 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.933 5.163 -44.227 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.817 5.192 -42.714 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.604 2.973 -44.739 1.00 2.43 H new ATOM 0 HG3 PRO A 78 9.018 3.540 -43.873 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.669 1.304 -43.095 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.480 2.335 -41.932 1.00 41.44 H new ATOM 1171 N SER A 79 4.043 5.047 -43.699 1.00 1.54 N ATOM 1172 CA SER A 79 2.879 5.092 -44.576 1.00 22.12 C ATOM 1173 C SER A 79 3.283 5.468 -45.997 1.00 55.34 C ATOM 1174 O SER A 79 4.469 5.507 -46.327 1.00 42.34 O ATOM 1175 CB SER A 79 1.852 6.094 -44.043 1.00 75.41 C ATOM 1176 OG SER A 79 1.696 5.968 -42.640 1.00 71.31 O ATOM 0 H SER A 79 4.227 5.916 -43.198 1.00 1.54 H new ATOM 0 HA SER A 79 2.431 4.098 -44.596 1.00 22.12 H new ATOM 0 HB2 SER A 79 2.168 7.108 -44.287 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.893 5.932 -44.535 1.00 75.41 H new ATOM 0 HG SER A 79 1.036 6.620 -42.324 1.00 71.31 H new ATOM 1182 N ASP A 80 2.290 5.744 -46.835 1.00 2.42 N ATOM 1183 CA ASP A 80 2.541 6.117 -48.222 1.00 64.33 C ATOM 1184 C ASP A 80 3.450 7.339 -48.299 1.00 41.21 C ATOM 1185 O ASP A 80 4.431 7.351 -49.043 1.00 61.31 O ATOM 1186 CB ASP A 80 1.222 6.400 -48.943 1.00 42.53 C ATOM 1187 CG ASP A 80 0.592 5.144 -49.511 1.00 72.41 C ATOM 1188 OD1 ASP A 80 -0.655 5.075 -49.558 1.00 61.52 O ATOM 1189 OD2 ASP A 80 1.344 4.231 -49.911 1.00 62.51 O1- ATOM 0 H ASP A 80 1.303 5.716 -46.578 1.00 2.42 H new ATOM 0 HA ASP A 80 3.042 5.282 -48.713 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.526 6.870 -48.249 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.398 7.112 -49.750 1.00 42.53 H new ATOM 1194 N LYS A 81 3.117 8.368 -47.527 1.00 63.24 N ATOM 1195 CA LYS A 81 3.903 9.596 -47.506 1.00 42.30 C ATOM 1196 C LYS A 81 5.371 9.298 -47.223 1.00 52.43 C ATOM 1197 O LYS A 81 6.245 9.615 -48.029 1.00 13.12 O ATOM 1198 CB LYS A 81 3.353 10.560 -46.452 1.00 24.44 C ATOM 1199 CG LYS A 81 3.628 12.021 -46.763 1.00 13.30 C ATOM 1200 CD LYS A 81 2.690 12.550 -47.834 1.00 11.42 C ATOM 1201 CE LYS A 81 2.887 14.042 -48.060 1.00 51.52 C ATOM 1202 NZ LYS A 81 4.159 14.330 -48.779 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.307 8.376 -46.907 1.00 63.24 H new ATOM 0 HA LYS A 81 3.829 10.062 -48.489 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.277 10.412 -46.363 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.790 10.315 -45.484 1.00 24.44 H new ATOM 0 HG2 LYS A 81 3.516 12.614 -45.855 1.00 13.30 H new ATOM 0 HG3 LYS A 81 4.660 12.135 -47.094 1.00 13.30 H new ATOM 0 HD2 LYS A 81 2.862 12.014 -48.767 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.657 12.358 -47.542 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.048 14.436 -48.633 1.00 51.52 H new ATOM 0 HE3 LYS A 81 2.887 14.558 -47.100 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 4.257 15.357 -48.914 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 4.961 13.976 -48.220 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 4.148 13.859 -49.706 1.00 62.13 H new ATOM 1216 N GLU A 82 5.635 8.686 -46.073 1.00 13.40 N ATOM 1217 CA GLU A 82 6.998 8.345 -45.684 1.00 22.15 C ATOM 1218 C GLU A 82 7.623 7.376 -46.684 1.00 24.23 C ATOM 1219 O GLU A 82 8.841 7.345 -46.857 1.00 2.21 O ATOM 1220 CB GLU A 82 7.015 7.730 -44.283 1.00 53.12 C ATOM 1221 CG GLU A 82 7.025 8.760 -43.166 1.00 71.53 C ATOM 1222 CD GLU A 82 6.439 8.225 -41.874 1.00 12.30 C ATOM 1223 OE1 GLU A 82 6.862 8.690 -40.794 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.559 7.342 -41.942 1.00 32.01 O1- ATOM 0 H GLU A 82 4.923 8.416 -45.394 1.00 13.40 H new ATOM 0 HA GLU A 82 7.586 9.263 -45.677 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.141 7.089 -44.166 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.894 7.093 -44.186 1.00 53.12 H new ATOM 0 HG2 GLU A 82 8.049 9.087 -42.988 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.460 9.637 -43.481 1.00 71.53 H new ATOM 1231 N TYR A 83 6.779 6.586 -47.339 1.00 32.52 N ATOM 1232 CA TYR A 83 7.248 5.615 -48.320 1.00 21.41 C ATOM 1233 C TYR A 83 7.934 6.310 -49.492 1.00 74.33 C ATOM 1234 O TYR A 83 9.085 6.019 -49.815 1.00 30.25 O ATOM 1235 CB TYR A 83 6.080 4.767 -48.827 1.00 60.15 C ATOM 1236 CG TYR A 83 6.111 3.337 -48.337 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.154 3.049 -46.978 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.100 2.274 -49.232 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.184 1.743 -46.525 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.127 0.966 -48.788 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.170 0.707 -47.434 1.00 11.20 C ATOM 1242 OH TYR A 83 6.199 -0.595 -46.988 1.00 41.13 O ATOM 0 H TYR A 83 5.767 6.599 -47.208 1.00 32.52 H new ATOM 0 HA TYR A 83 7.975 4.966 -47.832 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.144 5.229 -48.514 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.087 4.769 -49.917 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.164 3.859 -46.264 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.070 2.474 -50.293 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.218 1.536 -45.466 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.115 0.151 -49.497 1.00 71.42 H new ATOM 0 HH TYR A 83 6.183 -1.204 -47.756 1.00 41.13 H new ATOM 1252 N ASP A 84 7.216 7.232 -50.126 1.00 24.14 N ATOM 1253 CA ASP A 84 7.754 7.971 -51.262 1.00 41.30 C ATOM 1254 C ASP A 84 8.882 8.898 -50.822 1.00 24.23 C ATOM 1255 O ASP A 84 9.874 9.066 -51.532 1.00 11.41 O ATOM 1256 CB ASP A 84 6.647 8.781 -51.940 1.00 33.25 C ATOM 1257 CG ASP A 84 6.849 8.895 -53.439 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.891 9.440 -53.858 1.00 71.12 O ATOM 1259 OD2 ASP A 84 5.963 8.438 -54.191 1.00 45.14 O1- ATOM 0 H ASP A 84 6.261 7.485 -49.872 1.00 24.14 H new ATOM 0 HA ASP A 84 8.157 7.251 -51.975 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.683 8.312 -51.741 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.612 9.779 -51.504 1.00 33.25 H new ATOM 1264 N LEU A 85 8.725 9.498 -49.646 1.00 20.31 N ATOM 1265 CA LEU A 85 9.730 10.409 -49.111 1.00 5.33 C ATOM 1266 C LEU A 85 11.069 9.699 -48.933 1.00 63.15 C ATOM 1267 O LEU A 85 12.113 10.213 -49.334 1.00 64.22 O ATOM 1268 CB LEU A 85 9.265 10.985 -47.774 1.00 32.10 C ATOM 1269 CG LEU A 85 8.355 12.212 -47.853 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.464 12.296 -46.622 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.182 13.481 -48.001 1.00 5.43 C ATOM 0 H LEU A 85 7.911 9.369 -49.045 1.00 20.31 H new ATOM 0 HA LEU A 85 9.862 11.223 -49.824 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.740 10.202 -47.227 1.00 32.10 H new ATOM 0 HB3 LEU A 85 10.146 11.248 -47.188 1.00 32.10 H new ATOM 0 HG LEU A 85 7.718 12.112 -48.732 1.00 40.23 H new ATOM 0 HD11 LEU A 85 6.824 13.175 -46.696 1.00 13.40 H new ATOM 0 HD12 LEU A 85 6.846 11.401 -46.559 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.084 12.373 -45.729 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.518 14.344 -48.056 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.844 13.586 -47.141 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.777 13.423 -48.912 1.00 5.43 H new ATOM 1283 N ILE A 86 11.029 8.514 -48.332 1.00 45.10 N ATOM 1284 CA ILE A 86 12.238 7.733 -48.105 1.00 32.42 C ATOM 1285 C ILE A 86 12.756 7.130 -49.406 1.00 52.13 C ATOM 1286 O ILE A 86 13.964 7.014 -49.610 1.00 14.31 O ATOM 1287 CB ILE A 86 11.994 6.601 -47.089 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.516 7.177 -45.755 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.260 5.781 -46.895 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.779 6.176 -44.893 1.00 63.41 C ATOM 0 H ILE A 86 10.173 8.075 -47.994 1.00 45.10 H new ATOM 0 HA ILE A 86 12.985 8.417 -47.702 1.00 32.42 H new ATOM 0 HB ILE A 86 11.216 5.945 -47.479 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.376 7.556 -45.203 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.863 8.028 -45.949 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.071 4.985 -46.174 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.560 5.344 -47.847 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.057 6.425 -46.524 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.470 6.654 -43.964 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.899 5.815 -45.426 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.436 5.336 -44.668 1.00 63.41 H new ATOM 1302 N ASP A 87 11.834 6.749 -50.283 1.00 50.21 N ATOM 1303 CA ASP A 87 12.196 6.160 -51.567 1.00 61.54 C ATOM 1304 C ASP A 87 13.036 7.130 -52.392 1.00 73.01 C ATOM 1305 O ASP A 87 13.752 6.724 -53.306 1.00 74.03 O ATOM 1306 CB ASP A 87 10.940 5.765 -52.344 1.00 35.13 C ATOM 1307 CG ASP A 87 10.733 4.263 -52.386 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.737 3.529 -52.504 1.00 61.45 O ATOM 1309 OD2 ASP A 87 9.569 3.823 -52.298 1.00 51.34 O1- ATOM 0 H ASP A 87 10.830 6.838 -50.128 1.00 50.21 H new ATOM 0 HA ASP A 87 12.790 5.266 -51.374 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.070 6.236 -51.886 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.011 6.148 -53.362 1.00 35.13 H new ATOM 1314 N GLN A 88 12.942 8.415 -52.061 1.00 32.35 N ATOM 1315 CA GLN A 88 13.692 9.443 -52.773 1.00 71.22 C ATOM 1316 C GLN A 88 15.157 9.438 -52.352 1.00 44.01 C ATOM 1317 O GLN A 88 16.030 9.879 -53.100 1.00 30.30 O ATOM 1318 CB GLN A 88 13.080 10.821 -52.516 1.00 71.55 C ATOM 1319 CG GLN A 88 11.868 11.121 -53.384 1.00 72.24 C ATOM 1320 CD GLN A 88 11.511 12.594 -53.399 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.337 13.448 -53.078 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.274 12.898 -53.775 1.00 31.43 N ATOM 0 H GLN A 88 12.355 8.768 -51.305 1.00 32.35 H new ATOM 0 HA GLN A 88 13.639 9.223 -53.839 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.792 10.891 -51.467 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.839 11.584 -52.690 1.00 71.55 H new ATOM 0 HG2 GLN A 88 12.065 10.788 -54.403 1.00 72.24 H new ATOM 0 HG3 GLN A 88 11.015 10.548 -53.021 1.00 72.24 H new ATOM 0 HE21 GLN A 88 9.623 12.157 -54.033 1.00 31.43 H new ATOM 0 HE22 GLN A 88 9.975 13.873 -53.806 1.00 31.43 H new ATOM 1331 N ALA A 89 15.420 8.937 -51.150 1.00 43.05 N ATOM 1332 CA ALA A 89 16.781 8.873 -50.629 1.00 33.15 C ATOM 1333 C ALA A 89 17.523 7.660 -51.180 1.00 24.14 C ATOM 1334 O ALA A 89 16.919 6.624 -51.457 1.00 71.13 O ATOM 1335 CB ALA A 89 16.763 8.839 -49.108 1.00 12.20 C ATOM 0 H ALA A 89 14.709 8.569 -50.518 1.00 43.05 H new ATOM 0 HA ALA A 89 17.311 9.768 -50.954 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.785 8.791 -48.733 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.279 9.740 -48.730 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.211 7.962 -48.770 1.00 12.20 H new ATOM 1341 N PHE A 90 18.835 7.796 -51.337 1.00 74.20 N ATOM 1342 CA PHE A 90 19.660 6.711 -51.856 1.00 75.52 C ATOM 1343 C PHE A 90 19.903 5.652 -50.784 1.00 71.45 C ATOM 1344 O PHE A 90 20.460 5.940 -49.726 1.00 12.24 O ATOM 1345 CB PHE A 90 20.996 7.255 -52.363 1.00 64.23 C ATOM 1346 CG PHE A 90 21.841 6.222 -53.053 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.599 5.880 -54.374 1.00 30.42 C ATOM 1348 CD2 PHE A 90 22.876 5.593 -52.381 1.00 65.35 C ATOM 1349 CE1 PHE A 90 22.375 4.931 -55.012 1.00 45.43 C ATOM 1350 CE2 PHE A 90 23.655 4.643 -53.014 1.00 31.34 C ATOM 1351 CZ PHE A 90 23.404 4.312 -54.330 1.00 1.02 C ATOM 0 H PHE A 90 19.350 8.647 -51.112 1.00 74.20 H new ATOM 0 HA PHE A 90 19.126 6.247 -52.686 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.806 8.077 -53.053 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.554 7.667 -51.522 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.795 6.361 -54.911 1.00 30.42 H new ATOM 0 HD2 PHE A 90 23.077 5.848 -51.351 1.00 65.35 H new ATOM 0 HE1 PHE A 90 22.177 4.674 -56.042 1.00 45.43 H new ATOM 0 HE2 PHE A 90 24.459 4.160 -52.479 1.00 31.34 H new ATOM 0 HZ PHE A 90 24.012 3.570 -54.826 1.00 1.02 H new ATOM 1361 N GLY A 91 19.477 4.424 -51.067 1.00 12.51 N ATOM 1362 CA GLY A 91 19.657 3.340 -50.118 1.00 14.41 C ATOM 1363 C GLY A 91 19.124 3.682 -48.741 1.00 73.13 C ATOM 1364 O GLY A 91 19.775 3.412 -47.732 1.00 4.35 O ATOM 0 H GLY A 91 19.011 4.161 -51.935 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.151 2.448 -50.489 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.717 3.098 -50.044 1.00 14.41 H new ATOM 1368 N ALA A 92 17.936 4.278 -48.699 1.00 4.24 N ATOM 1369 CA ALA A 92 17.317 4.656 -47.435 1.00 70.22 C ATOM 1370 C ALA A 92 16.274 3.628 -47.006 1.00 24.25 C ATOM 1371 O ALA A 92 15.408 3.242 -47.791 1.00 13.15 O ATOM 1372 CB ALA A 92 16.684 6.035 -47.549 1.00 0.13 C ATOM 0 H ALA A 92 17.384 4.509 -49.525 1.00 4.24 H new ATOM 0 HA ALA A 92 18.095 4.687 -46.672 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.225 6.305 -46.598 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.450 6.767 -47.803 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.922 6.022 -48.328 1.00 0.13 H new ATOM 1378 N THR A 93 16.362 3.190 -45.755 1.00 45.11 N ATOM 1379 CA THR A 93 15.428 2.206 -45.222 1.00 43.04 C ATOM 1380 C THR A 93 14.288 2.882 -44.468 1.00 51.13 C ATOM 1381 O THR A 93 14.478 3.921 -43.837 1.00 12.44 O ATOM 1382 CB THR A 93 16.134 1.214 -44.278 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.526 1.131 -44.608 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.502 -0.166 -44.372 1.00 75.11 C ATOM 0 H THR A 93 17.071 3.501 -45.091 1.00 45.11 H new ATOM 0 HA THR A 93 15.024 1.660 -46.075 1.00 43.04 H new ATOM 0 HB THR A 93 16.024 1.577 -43.256 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.969 0.500 -44.003 1.00 31.50 H new ATOM 0 HG21 THR A 93 16.017 -0.849 -43.697 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.450 -0.104 -44.093 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.585 -0.535 -45.394 1.00 75.11 H new ATOM 1392 N GLY A 94 13.102 2.285 -44.540 1.00 64.34 N ATOM 1393 CA GLY A 94 11.949 2.844 -43.859 1.00 73.52 C ATOM 1394 C GLY A 94 12.188 3.037 -42.375 1.00 11.42 C ATOM 1395 O GLY A 94 11.552 3.879 -41.739 1.00 75.13 O ATOM 0 H GLY A 94 12.919 1.425 -45.057 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.694 3.803 -44.310 1.00 73.52 H new ATOM 0 HA3 GLY A 94 11.092 2.186 -44.003 1.00 73.52 H new ATOM 1399 N THR A 95 13.108 2.255 -41.818 1.00 3.02 N ATOM 1400 CA THR A 95 13.428 2.342 -40.400 1.00 45.00 C ATOM 1401 C THR A 95 14.243 3.593 -40.095 1.00 1.41 C ATOM 1402 O THR A 95 14.576 3.865 -38.941 1.00 53.40 O ATOM 1403 CB THR A 95 14.212 1.104 -39.923 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.559 1.162 -40.406 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.549 -0.176 -40.409 1.00 23.25 C ATOM 0 H THR A 95 13.645 1.554 -42.329 1.00 3.02 H new ATOM 0 HA THR A 95 12.479 2.391 -39.866 1.00 45.00 H new ATOM 0 HB THR A 95 14.217 1.101 -38.833 1.00 64.24 H new ATOM 0 HG1 THR A 95 16.051 0.373 -40.097 1.00 24.23 H new ATOM 0 HG21 THR A 95 14.120 -1.037 -40.060 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.533 -0.231 -40.017 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.518 -0.179 -41.499 1.00 23.25 H new ATOM 1413 N SER A 96 14.563 4.354 -41.138 1.00 4.44 N ATOM 1414 CA SER A 96 15.342 5.576 -40.983 1.00 60.11 C ATOM 1415 C SER A 96 14.429 6.782 -40.784 1.00 71.41 C ATOM 1416 O SER A 96 14.880 7.859 -40.392 1.00 10.54 O ATOM 1417 CB SER A 96 16.236 5.795 -42.204 1.00 33.34 C ATOM 1418 OG SER A 96 17.337 6.630 -41.888 1.00 54.01 O ATOM 0 H SER A 96 14.294 4.145 -42.099 1.00 4.44 H new ATOM 0 HA SER A 96 15.969 5.467 -40.098 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.598 4.834 -42.571 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.654 6.244 -43.009 1.00 33.34 H new ATOM 0 HG SER A 96 17.894 6.753 -42.685 1.00 54.01 H new ATOM 1424 N ARG A 97 13.142 6.593 -41.056 1.00 14.14 N ATOM 1425 CA ARG A 97 12.163 7.664 -40.909 1.00 44.44 C ATOM 1426 C ARG A 97 11.255 7.409 -39.711 1.00 41.24 C ATOM 1427 O ARG A 97 11.163 6.285 -39.215 1.00 64.24 O ATOM 1428 CB ARG A 97 11.324 7.795 -42.182 1.00 70.20 C ATOM 1429 CG ARG A 97 10.611 9.130 -42.306 1.00 33.41 C ATOM 1430 CD ARG A 97 11.597 10.288 -42.333 1.00 21.13 C ATOM 1431 NE ARG A 97 11.090 11.422 -43.100 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.113 12.217 -42.679 1.00 45.23 C ATOM 1433 NH1 ARG A 97 9.541 12.003 -41.502 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 9.706 13.228 -43.435 1.00 33.05 N ATOM 0 H ARG A 97 12.752 5.708 -41.380 1.00 14.14 H new ATOM 0 HA ARG A 97 12.703 8.596 -40.741 1.00 44.44 H new ATOM 0 HB2 ARG A 97 11.970 7.656 -43.049 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.585 6.994 -42.204 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.011 9.140 -43.216 1.00 33.41 H new ATOM 0 HG3 ARG A 97 9.923 9.256 -41.470 1.00 33.41 H new ATOM 0 HD2 ARG A 97 11.809 10.607 -41.313 1.00 21.13 H new ATOM 0 HD3 ARG A 97 12.540 9.951 -42.764 1.00 21.13 H new ATOM 0 HE ARG A 97 11.509 11.614 -44.010 1.00 44.32 H new ATOM 0 HH11 ARG A 97 9.851 11.226 -40.918 1.00 54.10 H new ATOM 0 HH12 ARG A 97 8.791 12.615 -41.181 1.00 54.10 H new ATOM 0 HH21 ARG A 97 10.143 13.396 -44.341 1.00 33.05 H new ATOM 0 HH22 ARG A 97 8.956 13.838 -43.110 1.00 33.05 H new ATOM 1448 N LEU A 98 10.586 8.459 -39.248 1.00 2.12 N ATOM 1449 CA LEU A 98 9.684 8.351 -38.107 1.00 73.45 C ATOM 1450 C LEU A 98 10.452 7.992 -36.839 1.00 21.34 C ATOM 1451 O LEU A 98 10.956 6.879 -36.699 1.00 13.34 O ATOM 1452 CB LEU A 98 8.608 7.298 -38.381 1.00 23.22 C ATOM 1453 CG LEU A 98 7.334 7.406 -37.541 1.00 64.21 C ATOM 1454 CD1 LEU A 98 6.201 6.626 -38.189 1.00 54.22 C ATOM 1455 CD2 LEU A 98 7.585 6.907 -36.125 1.00 44.21 C ATOM 0 H LEU A 98 10.651 9.396 -39.646 1.00 2.12 H new ATOM 0 HA LEU A 98 9.206 9.320 -37.959 1.00 73.45 H new ATOM 0 HB2 LEU A 98 8.331 7.356 -39.434 1.00 23.22 H new ATOM 0 HB3 LEU A 98 9.043 6.312 -38.219 1.00 23.22 H new ATOM 0 HG LEU A 98 7.043 8.455 -37.489 1.00 64.21 H new ATOM 0 HD11 LEU A 98 5.303 6.714 -37.578 1.00 54.22 H new ATOM 0 HD12 LEU A 98 6.005 7.028 -39.183 1.00 54.22 H new ATOM 0 HD13 LEU A 98 6.482 5.576 -38.271 1.00 54.22 H new ATOM 0 HD21 LEU A 98 6.668 6.991 -35.542 1.00 44.21 H new ATOM 0 HD22 LEU A 98 7.900 5.864 -36.157 1.00 44.21 H new ATOM 0 HD23 LEU A 98 8.367 7.508 -35.661 1.00 44.21 H new ATOM 1467 N GLY A 99 10.535 8.945 -35.914 1.00 65.55 N ATOM 1468 CA GLY A 99 11.240 8.709 -34.668 1.00 71.01 C ATOM 1469 C GLY A 99 10.916 9.749 -33.613 1.00 52.33 C ATOM 1470 O GLY A 99 11.717 10.000 -32.713 1.00 62.04 O ATOM 0 H GLY A 99 10.127 9.875 -36.006 1.00 65.55 H new ATOM 0 HA2 GLY A 99 10.982 7.720 -34.290 1.00 71.01 H new ATOM 0 HA3 GLY A 99 12.314 8.709 -34.856 1.00 71.01 H new ATOM 1474 N CYS A 100 9.739 10.356 -33.725 1.00 23.20 N ATOM 1475 CA CYS A 100 9.311 11.375 -32.775 1.00 42.23 C ATOM 1476 C CYS A 100 8.816 10.738 -31.480 1.00 61.43 C ATOM 1477 O CYS A 100 8.960 9.533 -31.275 1.00 22.54 O ATOM 1478 CB CYS A 100 8.207 12.239 -33.385 1.00 12.14 C ATOM 1479 SG CYS A 100 8.657 13.007 -34.976 1.00 33.11 S ATOM 0 H CYS A 100 9.065 10.159 -34.465 1.00 23.20 H new ATOM 0 HA CYS A 100 10.170 12.005 -32.544 1.00 42.23 H new ATOM 0 HB2 CYS A 100 7.318 11.625 -33.529 1.00 12.14 H new ATOM 0 HB3 CYS A 100 7.942 13.024 -32.677 1.00 12.14 H new ATOM 1484 N GLN A 101 8.234 11.556 -30.610 1.00 51.23 N ATOM 1485 CA GLN A 101 7.717 11.073 -29.335 1.00 32.50 C ATOM 1486 C GLN A 101 8.843 10.520 -28.466 1.00 24.44 C ATOM 1487 O GLN A 101 8.848 9.338 -28.117 1.00 62.34 O ATOM 1488 CB GLN A 101 6.657 9.994 -29.565 1.00 54.33 C ATOM 1489 CG GLN A 101 5.804 9.709 -28.340 1.00 51.15 C ATOM 1490 CD GLN A 101 4.530 10.529 -28.312 1.00 64.22 C ATOM 1491 OE1 GLN A 101 4.324 11.406 -29.152 1.00 14.41 O ATOM 1492 NE2 GLN A 101 3.665 10.249 -27.344 1.00 64.44 N ATOM 0 H GLN A 101 8.108 12.556 -30.764 1.00 51.23 H new ATOM 0 HA GLN A 101 7.260 11.915 -28.815 1.00 32.50 H new ATOM 0 HB2 GLN A 101 6.009 10.302 -30.385 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.150 9.073 -29.877 1.00 54.33 H new ATOM 0 HG2 GLN A 101 5.550 8.649 -28.318 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.385 9.917 -27.441 1.00 51.15 H new ATOM 0 HE21 GLN A 101 3.876 9.514 -26.669 1.00 64.44 H new ATOM 0 HE22 GLN A 101 2.790 10.769 -27.276 1.00 64.44 H new ATOM 1501 N LEU A 102 9.796 11.380 -28.122 1.00 65.25 N ATOM 1502 CA LEU A 102 10.927 10.977 -27.295 1.00 63.32 C ATOM 1503 C LEU A 102 10.467 10.599 -25.890 1.00 43.03 C ATOM 1504 O LEU A 102 10.413 11.445 -24.997 1.00 43.45 O ATOM 1505 CB LEU A 102 11.957 12.105 -27.222 1.00 54.24 C ATOM 1506 CG LEU A 102 12.690 12.430 -28.524 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.410 13.765 -28.412 1.00 65.13 C ATOM 1508 CD2 LEU A 102 13.672 11.321 -28.874 1.00 5.14 C ATOM 0 H LEU A 102 9.807 12.360 -28.403 1.00 65.25 H new ATOM 0 HA LEU A 102 11.388 10.102 -27.753 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.453 13.008 -26.877 1.00 54.24 H new ATOM 0 HB3 LEU A 102 12.698 11.845 -26.466 1.00 54.24 H new ATOM 0 HG LEU A 102 11.954 12.503 -29.325 1.00 12.13 H new ATOM 0 HD11 LEU A 102 13.926 13.980 -29.348 1.00 65.13 H new ATOM 0 HD12 LEU A 102 12.685 14.553 -28.208 1.00 65.13 H new ATOM 0 HD13 LEU A 102 14.135 13.720 -27.600 1.00 65.13 H new ATOM 0 HD21 LEU A 102 14.185 11.569 -29.803 1.00 5.14 H new ATOM 0 HD22 LEU A 102 14.404 11.217 -28.073 1.00 5.14 H new ATOM 0 HD23 LEU A 102 13.132 10.382 -28.997 1.00 5.14 H new ATOM 1520 N ARG A 103 10.140 9.326 -25.703 1.00 52.25 N ATOM 1521 CA ARG A 103 9.687 8.837 -24.406 1.00 12.23 C ATOM 1522 C ARG A 103 10.027 7.359 -24.233 1.00 22.20 C ATOM 1523 O ARG A 103 10.080 6.605 -25.204 1.00 3.34 O ATOM 1524 CB ARG A 103 8.178 9.044 -24.258 1.00 33.05 C ATOM 1525 CG ARG A 103 7.806 10.360 -23.593 1.00 62.04 C ATOM 1526 CD ARG A 103 6.514 10.239 -22.802 1.00 70.21 C ATOM 1527 NE ARG A 103 5.339 10.272 -23.668 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.116 10.564 -23.237 1.00 21.50 C ATOM 1529 NH1 ARG A 103 3.910 10.849 -21.958 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 3.096 10.573 -24.086 1.00 43.51 N ATOM 0 H ARG A 103 10.180 8.614 -26.432 1.00 52.25 H new ATOM 0 HA ARG A 103 10.203 9.404 -23.631 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.716 9.001 -25.244 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.762 8.222 -23.675 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.612 10.674 -22.930 1.00 62.04 H new ATOM 0 HG3 ARG A 103 7.698 11.135 -24.352 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.521 9.308 -22.236 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.454 11.052 -22.078 1.00 70.21 H new ATOM 0 HE ARG A 103 5.463 10.059 -24.658 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.691 10.844 -21.302 1.00 52.01 H new ATOM 0 HH12 ARG A 103 2.970 11.073 -21.630 1.00 52.01 H new ATOM 0 HH21 ARG A 103 3.250 10.356 -25.071 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.158 10.797 -23.754 1.00 43.51 H new ATOM 1544 N VAL A 104 10.258 6.952 -22.988 1.00 21.01 N ATOM 1545 CA VAL A 104 10.593 5.566 -22.688 1.00 23.15 C ATOM 1546 C VAL A 104 9.337 4.709 -22.574 1.00 51.50 C ATOM 1547 O VAL A 104 8.368 5.093 -21.917 1.00 20.41 O ATOM 1548 CB VAL A 104 11.398 5.453 -21.379 1.00 3.52 C ATOM 1549 CG1 VAL A 104 11.698 3.997 -21.060 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.681 6.264 -21.473 1.00 72.24 C ATOM 0 H VAL A 104 10.219 7.563 -22.172 1.00 21.01 H new ATOM 0 HA VAL A 104 11.204 5.203 -23.514 1.00 23.15 H new ATOM 0 HB VAL A 104 10.797 5.860 -20.566 1.00 3.52 H new ATOM 0 HG11 VAL A 104 12.267 3.938 -20.132 1.00 0.25 H new ATOM 0 HG12 VAL A 104 10.763 3.449 -20.948 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.280 3.559 -21.871 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.238 6.173 -20.540 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.289 5.889 -22.296 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.437 7.312 -21.650 1.00 72.24 H new ATOM 1560 N ASP A 105 9.359 3.548 -23.217 1.00 71.13 N ATOM 1561 CA ASP A 105 8.222 2.634 -23.187 1.00 40.04 C ATOM 1562 C ASP A 105 8.685 1.196 -22.981 1.00 72.04 C ATOM 1563 O ASP A 105 9.825 0.848 -23.293 1.00 10.30 O ATOM 1564 CB ASP A 105 7.419 2.743 -24.484 1.00 44.20 C ATOM 1565 CG ASP A 105 6.124 1.957 -24.431 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.023 0.931 -25.137 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.212 2.366 -23.684 1.00 33.31 O1- ATOM 0 H ASP A 105 10.152 3.216 -23.766 1.00 71.13 H new ATOM 0 HA ASP A 105 7.584 2.915 -22.349 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.196 3.791 -24.683 1.00 44.20 H new ATOM 0 HB3 ASP A 105 8.026 2.383 -25.315 1.00 44.20 H new ATOM 1572 N LYS A 106 7.795 0.362 -22.452 1.00 24.41 N ATOM 1573 CA LYS A 106 8.112 -1.039 -22.204 1.00 72.51 C ATOM 1574 C LYS A 106 8.556 -1.732 -23.488 1.00 64.01 C ATOM 1575 O LYS A 106 9.453 -2.574 -23.471 1.00 34.22 O ATOM 1576 CB LYS A 106 6.896 -1.760 -21.617 1.00 13.33 C ATOM 1577 CG LYS A 106 7.174 -3.204 -21.233 1.00 33.41 C ATOM 1578 CD LYS A 106 5.996 -3.820 -20.496 1.00 30.24 C ATOM 1579 CE LYS A 106 4.831 -4.092 -21.436 1.00 13.42 C ATOM 1580 NZ LYS A 106 3.879 -2.950 -21.485 1.00 24.12 N1+ ATOM 0 H LYS A 106 6.848 0.633 -22.187 1.00 24.41 H new ATOM 0 HA LYS A 106 8.933 -1.080 -21.488 1.00 72.51 H new ATOM 0 HB2 LYS A 106 6.552 -1.218 -20.736 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.084 -1.735 -22.343 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.388 -3.785 -22.130 1.00 33.41 H new ATOM 0 HG3 LYS A 106 8.063 -3.250 -20.604 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.308 -4.751 -20.023 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.673 -3.150 -19.699 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.212 -4.290 -22.438 1.00 13.42 H new ATOM 0 HE3 LYS A 106 4.305 -4.990 -21.111 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 2.972 -3.236 -21.063 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.271 -2.148 -20.952 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 3.727 -2.667 -22.474 1.00 24.12 H new ATOM 1594 N SER A 107 7.924 -1.371 -24.600 1.00 1.32 N ATOM 1595 CA SER A 107 8.252 -1.961 -25.893 1.00 32.25 C ATOM 1596 C SER A 107 9.673 -1.595 -26.310 1.00 64.51 C ATOM 1597 O SER A 107 10.265 -2.242 -27.174 1.00 35.32 O ATOM 1598 CB SER A 107 7.259 -1.493 -26.958 1.00 25.21 C ATOM 1599 OG SER A 107 5.930 -1.825 -26.597 1.00 60.12 O ATOM 0 H SER A 107 7.181 -0.672 -24.632 1.00 1.32 H new ATOM 0 HA SER A 107 8.187 -3.045 -25.798 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.345 -0.414 -27.090 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.505 -1.952 -27.916 1.00 25.21 H new ATOM 0 HG SER A 107 5.550 -1.106 -26.050 1.00 60.12 H new ATOM 1605 N PHE A 108 10.216 -0.552 -25.690 1.00 54.12 N ATOM 1606 CA PHE A 108 11.568 -0.098 -25.997 1.00 31.34 C ATOM 1607 C PHE A 108 12.600 -0.874 -25.184 1.00 52.43 C ATOM 1608 O PHE A 108 13.800 -0.624 -25.286 1.00 20.31 O ATOM 1609 CB PHE A 108 11.701 1.400 -25.715 1.00 33.33 C ATOM 1610 CG PHE A 108 11.788 2.239 -26.957 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.716 3.262 -27.056 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.940 2.004 -28.028 1.00 23.10 C ATOM 1613 CE1 PHE A 108 12.798 4.036 -28.197 1.00 64.01 C ATOM 1614 CE2 PHE A 108 11.018 2.773 -29.173 1.00 0.32 C ATOM 1615 CZ PHE A 108 11.948 3.792 -29.258 1.00 71.21 C ATOM 0 H PHE A 108 9.741 -0.005 -24.972 1.00 54.12 H new ATOM 0 HA PHE A 108 11.755 -0.280 -27.055 1.00 31.34 H new ATOM 0 HB2 PHE A 108 10.845 1.728 -25.124 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.591 1.570 -25.109 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.384 3.457 -26.230 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.210 1.211 -27.967 1.00 23.10 H new ATOM 0 HE1 PHE A 108 13.526 4.831 -28.260 1.00 64.01 H new ATOM 0 HE2 PHE A 108 10.353 2.578 -30.001 1.00 0.32 H new ATOM 0 HZ PHE A 108 12.010 4.396 -30.151 1.00 71.21 H new ATOM 1625 N GLU A 109 12.122 -1.818 -24.379 1.00 45.42 N ATOM 1626 CA GLU A 109 13.004 -2.630 -23.547 1.00 14.13 C ATOM 1627 C GLU A 109 14.028 -3.371 -24.403 1.00 53.04 C ATOM 1628 O GLU A 109 13.668 -4.104 -25.322 1.00 0.14 O ATOM 1629 CB GLU A 109 12.188 -3.630 -22.727 1.00 15.44 C ATOM 1630 CG GLU A 109 12.977 -4.283 -21.603 1.00 21.13 C ATOM 1631 CD GLU A 109 12.146 -5.265 -20.801 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.376 -6.486 -20.937 1.00 23.25 O ATOM 1633 OE2 GLU A 109 11.267 -4.814 -20.038 1.00 62.22 O1- ATOM 0 H GLU A 109 11.131 -2.039 -24.285 1.00 45.42 H new ATOM 0 HA GLU A 109 13.537 -1.965 -22.868 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.323 -3.120 -22.304 1.00 15.44 H new ATOM 0 HB3 GLU A 109 11.807 -4.406 -23.391 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.840 -4.801 -22.023 1.00 21.13 H new ATOM 0 HG3 GLU A 109 13.362 -3.510 -20.938 1.00 21.13 H new ATOM 1640 N ASN A 110 15.304 -3.173 -24.093 1.00 40.22 N ATOM 1641 CA ASN A 110 16.381 -3.820 -24.833 1.00 12.52 C ATOM 1642 C ASN A 110 16.334 -3.437 -26.309 1.00 14.11 C ATOM 1643 O ASN A 110 16.824 -4.169 -27.167 1.00 14.41 O ATOM 1644 CB ASN A 110 16.285 -5.340 -24.687 1.00 53.45 C ATOM 1645 CG ASN A 110 16.976 -5.846 -23.435 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.201 -5.781 -23.321 1.00 53.03 O ATOM 1647 ND2 ASN A 110 16.193 -6.352 -22.490 1.00 13.04 N ATOM 0 H ASN A 110 15.618 -2.569 -23.334 1.00 40.22 H new ATOM 0 HA ASN A 110 17.329 -3.480 -24.417 1.00 12.52 H new ATOM 0 HB2 ASN A 110 15.236 -5.634 -24.664 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.730 -5.815 -25.561 1.00 53.45 H new ATOM 0 HD21 ASN A 110 16.601 -6.707 -21.626 1.00 13.04 H new ATOM 0 HD22 ASN A 110 15.183 -6.385 -22.628 1.00 13.04 H new ATOM 1654 N ALA A 111 15.742 -2.281 -26.596 1.00 11.53 N ATOM 1655 CA ALA A 111 15.634 -1.798 -27.966 1.00 33.33 C ATOM 1656 C ALA A 111 16.954 -1.205 -28.445 1.00 12.12 C ATOM 1657 O ALA A 111 17.849 -0.932 -27.646 1.00 32.25 O ATOM 1658 CB ALA A 111 14.519 -0.768 -28.076 1.00 12.32 C ATOM 0 H ALA A 111 15.330 -1.663 -25.897 1.00 11.53 H new ATOM 0 HA ALA A 111 15.394 -2.647 -28.606 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.449 -0.416 -29.105 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.573 -1.223 -27.784 1.00 12.32 H new ATOM 0 HB3 ALA A 111 14.735 0.074 -27.418 1.00 12.32 H new ATOM 1664 N VAL A 112 17.069 -1.009 -29.755 1.00 73.01 N ATOM 1665 CA VAL A 112 18.281 -0.448 -30.341 1.00 70.21 C ATOM 1666 C VAL A 112 17.946 0.568 -31.428 1.00 23.10 C ATOM 1667 O VAL A 112 17.225 0.262 -32.377 1.00 15.11 O ATOM 1668 CB VAL A 112 19.177 -1.548 -30.940 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.545 -0.988 -31.296 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.304 -2.716 -29.973 1.00 42.04 C ATOM 0 H VAL A 112 16.338 -1.230 -30.431 1.00 73.01 H new ATOM 0 HA VAL A 112 18.821 0.050 -29.535 1.00 70.21 H new ATOM 0 HB VAL A 112 18.712 -1.913 -31.856 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.164 -1.780 -31.718 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.431 -0.188 -32.027 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.022 -0.594 -30.398 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.940 -3.484 -30.412 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.746 -2.369 -29.039 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.317 -3.133 -29.774 1.00 42.04 H new ATOM 1680 N PHE A 113 18.475 1.779 -31.282 1.00 22.12 N ATOM 1681 CA PHE A 113 18.233 2.840 -32.251 1.00 61.43 C ATOM 1682 C PHE A 113 19.548 3.407 -32.776 1.00 43.11 C ATOM 1683 O PHE A 113 20.436 3.769 -32.003 1.00 11.30 O ATOM 1684 CB PHE A 113 17.399 3.957 -31.617 1.00 14.33 C ATOM 1685 CG PHE A 113 18.130 4.716 -30.546 1.00 71.43 C ATOM 1686 CD1 PHE A 113 18.409 4.122 -29.326 1.00 12.52 C ATOM 1687 CD2 PHE A 113 18.537 6.023 -30.760 1.00 14.45 C ATOM 1688 CE1 PHE A 113 19.080 4.818 -28.338 1.00 3.02 C ATOM 1689 CE2 PHE A 113 19.210 6.723 -29.777 1.00 40.02 C ATOM 1690 CZ PHE A 113 19.480 6.120 -28.563 1.00 54.32 C ATOM 0 H PHE A 113 19.074 2.049 -30.502 1.00 22.12 H new ATOM 0 HA PHE A 113 17.681 2.414 -33.089 1.00 61.43 H new ATOM 0 HB2 PHE A 113 17.086 4.653 -32.396 1.00 14.33 H new ATOM 0 HB3 PHE A 113 16.493 3.526 -31.192 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.099 3.104 -29.145 1.00 12.52 H new ATOM 0 HD2 PHE A 113 18.326 6.500 -31.706 1.00 14.45 H new ATOM 0 HE1 PHE A 113 19.291 4.344 -27.391 1.00 3.02 H new ATOM 0 HE2 PHE A 113 19.525 7.740 -29.957 1.00 40.02 H new ATOM 0 HZ PHE A 113 20.003 6.666 -27.792 1.00 54.32 H new ATOM 1700 N THR A 114 19.667 3.482 -34.098 1.00 30.22 N ATOM 1701 CA THR A 114 20.873 4.003 -34.729 1.00 45.33 C ATOM 1702 C THR A 114 20.676 5.444 -35.187 1.00 52.03 C ATOM 1703 O THR A 114 19.679 5.770 -35.832 1.00 43.22 O ATOM 1704 CB THR A 114 21.291 3.145 -35.937 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.614 1.818 -35.508 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.487 3.759 -36.649 1.00 73.44 C ATOM 0 H THR A 114 18.942 3.188 -34.753 1.00 30.22 H new ATOM 0 HA THR A 114 21.662 3.968 -33.978 1.00 45.33 H new ATOM 0 HB THR A 114 20.454 3.107 -36.634 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.877 1.279 -36.283 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.764 3.135 -37.499 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.228 4.757 -37.001 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.327 3.825 -35.958 1.00 73.44 H new ATOM 1714 N VAL A 115 21.633 6.303 -34.851 1.00 21.22 N ATOM 1715 CA VAL A 115 21.565 7.710 -35.230 1.00 72.13 C ATOM 1716 C VAL A 115 22.269 7.955 -36.560 1.00 32.00 C ATOM 1717 O VAL A 115 23.391 7.502 -36.790 1.00 71.13 O ATOM 1718 CB VAL A 115 22.196 8.612 -34.153 1.00 34.51 C ATOM 1719 CG1 VAL A 115 21.979 10.080 -34.491 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.626 8.283 -32.782 1.00 0.35 C ATOM 0 H VAL A 115 22.464 6.050 -34.317 1.00 21.22 H new ATOM 0 HA VAL A 115 20.509 7.961 -35.330 1.00 72.13 H new ATOM 0 HB VAL A 115 23.269 8.424 -34.130 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.432 10.702 -33.719 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.439 10.304 -35.453 1.00 32.02 H new ATOM 0 HG13 VAL A 115 20.910 10.287 -34.543 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.083 8.930 -32.033 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.548 8.441 -32.789 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.838 7.242 -32.540 1.00 0.35 H new ATOM 1730 N PRO A 116 21.598 8.691 -37.458 1.00 23.44 N ATOM 1731 CA PRO A 116 22.141 9.015 -38.781 1.00 12.20 C ATOM 1732 C PRO A 116 23.307 9.994 -38.706 1.00 62.14 C ATOM 1733 O PRO A 116 24.291 9.858 -39.431 1.00 15.32 O ATOM 1734 CB PRO A 116 20.952 9.652 -39.505 1.00 2.12 C ATOM 1735 CG PRO A 116 20.094 10.200 -38.417 1.00 24.01 C ATOM 1736 CD PRO A 116 20.257 9.262 -37.252 1.00 65.44 C ATOM 0 HA PRO A 116 22.542 8.135 -39.284 1.00 12.20 H new ATOM 0 HB2 PRO A 116 21.278 10.438 -40.186 1.00 2.12 H new ATOM 0 HB3 PRO A 116 20.412 8.917 -40.102 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.400 11.211 -38.150 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.052 10.255 -38.731 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.186 9.788 -36.300 1.00 65.44 H new ATOM 0 HD3 PRO A 116 19.488 8.490 -37.247 1.00 65.44 H new ATOM 1744 N ARG A 117 23.188 10.980 -37.822 1.00 4.04 N ATOM 1745 CA ARG A 117 24.232 11.984 -37.652 1.00 23.33 C ATOM 1746 C ARG A 117 25.288 11.506 -36.660 1.00 72.14 C ATOM 1747 O ARG A 117 25.080 10.532 -35.938 1.00 53.20 O ATOM 1748 CB ARG A 117 23.627 13.305 -37.174 1.00 24.40 C ATOM 1749 CG ARG A 117 23.095 14.174 -38.300 1.00 3.30 C ATOM 1750 CD ARG A 117 21.649 13.836 -38.630 1.00 34.14 C ATOM 1751 NE ARG A 117 20.758 14.083 -37.499 1.00 31.52 N ATOM 1752 CZ ARG A 117 20.418 15.298 -37.082 1.00 33.23 C ATOM 1753 NH1 ARG A 117 20.891 16.371 -37.702 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 19.603 15.442 -36.046 1.00 55.12 N ATOM 0 H ARG A 117 22.379 11.105 -37.213 1.00 4.04 H new ATOM 0 HA ARG A 117 24.711 12.142 -38.618 1.00 23.33 H new ATOM 0 HB2 ARG A 117 22.817 13.092 -36.477 1.00 24.40 H new ATOM 0 HB3 ARG A 117 24.384 13.863 -36.623 1.00 24.40 H new ATOM 0 HG2 ARG A 117 23.169 15.224 -38.017 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.713 14.039 -39.188 1.00 3.30 H new ATOM 0 HD2 ARG A 117 21.324 14.430 -39.484 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.579 12.789 -38.925 1.00 34.14 H new ATOM 0 HE ARG A 117 20.376 13.278 -37.002 1.00 31.52 H new ATOM 0 HH11 ARG A 117 21.517 16.264 -38.500 1.00 32.32 H new ATOM 0 HH12 ARG A 117 20.629 17.303 -37.380 1.00 32.32 H new ATOM 0 HH21 ARG A 117 19.236 14.619 -35.568 1.00 55.12 H new ATOM 0 HH22 ARG A 117 19.343 16.375 -35.727 1.00 55.12 H new ATOM 1768 N ALA A 118 26.422 12.199 -36.632 1.00 53.11 N ATOM 1769 CA ALA A 118 27.510 11.847 -35.728 1.00 11.14 C ATOM 1770 C ALA A 118 28.555 12.955 -35.669 1.00 12.31 C ATOM 1771 O ALA A 118 28.480 13.935 -36.411 1.00 3.41 O ATOM 1772 CB ALA A 118 28.152 10.536 -36.159 1.00 11.25 C ATOM 0 H ALA A 118 26.611 13.007 -37.225 1.00 53.11 H new ATOM 0 HA ALA A 118 27.093 11.723 -34.729 1.00 11.14 H new ATOM 0 HB1 ALA A 118 28.963 10.286 -35.475 1.00 11.25 H new ATOM 0 HB2 ALA A 118 27.405 9.742 -36.142 1.00 11.25 H new ATOM 0 HB3 ALA A 118 28.549 10.640 -37.169 1.00 11.25 H new ATOM 1778 N THR A 119 29.532 12.795 -34.780 1.00 73.41 N ATOM 1779 CA THR A 119 30.591 13.784 -34.624 1.00 14.20 C ATOM 1780 C THR A 119 31.877 13.323 -35.300 1.00 51.53 C ATOM 1781 O THR A 119 32.198 12.134 -35.305 1.00 25.52 O ATOM 1782 CB THR A 119 30.880 14.067 -33.136 1.00 33.41 C ATOM 1783 OG1 THR A 119 31.153 12.841 -32.449 1.00 12.32 O ATOM 1784 CG2 THR A 119 29.701 14.770 -32.481 1.00 33.30 C ATOM 0 H THR A 119 29.611 11.990 -34.158 1.00 73.41 H new ATOM 0 HA THR A 119 30.241 14.700 -35.100 1.00 14.20 H new ATOM 0 HB THR A 119 31.751 14.719 -33.075 1.00 33.41 H new ATOM 0 HG1 THR A 119 31.337 13.029 -31.505 1.00 12.32 H new ATOM 0 HG21 THR A 119 29.928 14.959 -31.432 1.00 33.30 H new ATOM 0 HG22 THR A 119 29.514 15.716 -32.988 1.00 33.30 H new ATOM 0 HG23 THR A 119 28.815 14.139 -32.553 1.00 33.30 H new ATOM 1792 N LYS A 120 32.613 14.272 -35.870 1.00 3.41 N ATOM 1793 CA LYS A 120 33.867 13.965 -36.549 1.00 11.13 C ATOM 1794 C LYS A 120 35.060 14.412 -35.714 1.00 51.15 C ATOM 1795 O LYS A 120 35.547 15.533 -35.859 1.00 3.10 O ATOM 1796 CB LYS A 120 33.907 14.642 -37.920 1.00 73.35 C ATOM 1797 CG LYS A 120 34.755 13.901 -38.939 1.00 23.14 C ATOM 1798 CD LYS A 120 36.209 14.340 -38.878 1.00 22.41 C ATOM 1799 CE LYS A 120 36.462 15.556 -39.757 1.00 40.11 C ATOM 1800 NZ LYS A 120 36.259 16.830 -39.013 1.00 41.15 N1+ ATOM 0 H LYS A 120 32.362 15.261 -35.875 1.00 3.41 H new ATOM 0 HA LYS A 120 33.924 12.885 -36.683 1.00 11.13 H new ATOM 0 HB2 LYS A 120 32.890 14.731 -38.302 1.00 73.35 H new ATOM 0 HB3 LYS A 120 34.294 15.654 -37.805 1.00 73.35 H new ATOM 0 HG2 LYS A 120 34.690 12.828 -38.757 1.00 23.14 H new ATOM 0 HG3 LYS A 120 34.362 14.079 -39.940 1.00 23.14 H new ATOM 0 HD2 LYS A 120 36.477 14.573 -37.847 1.00 22.41 H new ATOM 0 HD3 LYS A 120 36.852 13.519 -39.197 1.00 22.41 H new ATOM 0 HE2 LYS A 120 37.481 15.519 -40.143 1.00 40.11 H new ATOM 0 HE3 LYS A 120 35.794 15.527 -40.618 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 36.857 17.573 -39.427 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 35.260 17.114 -39.077 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 36.517 16.694 -38.015 1.00 41.15 H new ATOM 1814 N ASN A 121 35.532 13.528 -34.839 1.00 64.12 N ATOM 1815 CA ASN A 121 36.670 13.833 -33.982 1.00 63.15 C ATOM 1816 C ASN A 121 37.982 13.467 -34.669 1.00 0.51 C ATOM 1817 O ASN A 121 38.726 12.609 -34.193 1.00 31.55 O ATOM 1818 CB ASN A 121 36.550 13.083 -32.654 1.00 73.33 C ATOM 1819 CG ASN A 121 37.543 13.577 -31.618 1.00 44.14 C ATOM 1820 OD1 ASN A 121 38.175 14.619 -31.796 1.00 64.24 O ATOM 1821 ND2 ASN A 121 37.685 12.829 -30.531 1.00 40.14 N ATOM 0 H ASN A 121 35.143 12.595 -34.706 1.00 64.12 H new ATOM 0 HA ASN A 121 36.669 14.905 -33.787 1.00 63.15 H new ATOM 0 HB2 ASN A 121 35.538 13.197 -32.266 1.00 73.33 H new ATOM 0 HB3 ASN A 121 36.708 12.018 -32.826 1.00 73.33 H new ATOM 0 HD21 ASN A 121 38.339 13.110 -29.800 1.00 40.14 H new ATOM 0 HD22 ASN A 121 37.140 11.973 -30.426 1.00 40.14 H new ATOM 1828 N MET A 122 38.260 14.125 -35.790 1.00 74.51 N ATOM 1829 CA MET A 122 39.483 13.869 -36.542 1.00 43.31 C ATOM 1830 C MET A 122 39.573 12.403 -36.954 1.00 13.55 C ATOM 1831 O MET A 122 40.595 11.751 -36.742 1.00 15.21 O ATOM 1832 CB MET A 122 40.708 14.253 -35.710 1.00 33.13 C ATOM 1833 CG MET A 122 40.708 15.706 -35.263 1.00 63.32 C ATOM 1834 SD MET A 122 42.216 16.164 -34.388 1.00 33.21 S ATOM 1835 CE MET A 122 41.811 17.827 -33.860 1.00 62.33 C ATOM 0 H MET A 122 37.656 14.839 -36.197 1.00 74.51 H new ATOM 0 HA MET A 122 39.459 14.480 -37.444 1.00 43.31 H new ATOM 0 HB2 MET A 122 40.755 13.611 -34.831 1.00 33.13 H new ATOM 0 HB3 MET A 122 41.608 14.061 -36.294 1.00 33.13 H new ATOM 0 HG2 MET A 122 40.588 16.350 -36.134 1.00 63.32 H new ATOM 0 HG3 MET A 122 39.849 15.883 -34.616 1.00 63.32 H new ATOM 0 HE1 MET A 122 42.649 18.246 -33.303 1.00 62.33 H new ATOM 0 HE2 MET A 122 41.609 18.447 -34.733 1.00 62.33 H new ATOM 0 HE3 MET A 122 40.928 17.801 -33.221 1.00 62.33 H new ATOM 1845 N ALA A 123 38.496 11.891 -37.540 1.00 62.43 N ATOM 1846 CA ALA A 123 38.455 10.502 -37.983 1.00 20.11 C ATOM 1847 C ALA A 123 38.642 10.401 -39.493 1.00 52.22 C ATOM 1848 O ALA A 123 38.824 11.409 -40.175 1.00 2.23 O ATOM 1849 CB ALA A 123 37.141 9.856 -37.568 1.00 51.33 C ATOM 0 H ALA A 123 37.640 12.417 -37.719 1.00 62.43 H new ATOM 0 HA ALA A 123 39.277 9.969 -37.505 1.00 20.11 H new ATOM 0 HB1 ALA A 123 37.123 8.819 -37.905 1.00 51.33 H new ATOM 0 HB2 ALA A 123 37.047 9.887 -36.482 1.00 51.33 H new ATOM 0 HB3 ALA A 123 36.310 10.399 -38.019 1.00 51.33 H new ATOM 1855 N VAL A 124 38.599 9.177 -40.009 1.00 12.32 N ATOM 1856 CA VAL A 124 38.765 8.944 -41.438 1.00 34.21 C ATOM 1857 C VAL A 124 37.436 9.073 -42.174 1.00 0.24 C ATOM 1858 O VAL A 124 36.393 8.657 -41.670 1.00 1.13 O ATOM 1859 CB VAL A 124 39.359 7.550 -41.715 1.00 43.14 C ATOM 1860 CG1 VAL A 124 38.405 6.461 -41.248 1.00 44.35 C ATOM 1861 CG2 VAL A 124 39.678 7.392 -43.194 1.00 31.53 C ATOM 0 H VAL A 124 38.451 8.331 -39.458 1.00 12.32 H new ATOM 0 HA VAL A 124 39.455 9.704 -41.804 1.00 34.21 H new ATOM 0 HB VAL A 124 40.288 7.451 -41.153 1.00 43.14 H new ATOM 0 HG11 VAL A 124 38.841 5.483 -41.452 1.00 44.35 H new ATOM 0 HG12 VAL A 124 38.231 6.565 -40.177 1.00 44.35 H new ATOM 0 HG13 VAL A 124 37.458 6.554 -41.780 1.00 44.35 H new ATOM 0 HG21 VAL A 124 40.097 6.402 -43.372 1.00 31.53 H new ATOM 0 HG22 VAL A 124 38.765 7.510 -43.778 1.00 31.53 H new ATOM 0 HG23 VAL A 124 40.401 8.151 -43.493 1.00 31.53 H new ATOM 1871 N ASP A 125 37.481 9.652 -43.369 1.00 50.35 N ATOM 1872 CA ASP A 125 36.280 9.835 -44.176 1.00 62.21 C ATOM 1873 C ASP A 125 36.439 9.179 -45.544 1.00 45.30 C ATOM 1874 O ASP A 125 37.081 9.729 -46.436 1.00 64.33 O ATOM 1875 CB ASP A 125 35.974 11.325 -44.343 1.00 71.03 C ATOM 1876 CG ASP A 125 34.577 11.572 -44.879 1.00 62.23 C ATOM 1877 OD1 ASP A 125 34.431 12.414 -45.790 1.00 41.11 O ATOM 1878 OD2 ASP A 125 33.631 10.924 -44.388 1.00 63.51 O1- ATOM 0 H ASP A 125 38.336 10.003 -43.800 1.00 50.35 H new ATOM 0 HA ASP A 125 35.448 9.357 -43.659 1.00 62.21 H new ATOM 0 HB2 ASP A 125 36.085 11.826 -43.381 1.00 71.03 H new ATOM 0 HB3 ASP A 125 36.704 11.769 -45.020 1.00 71.03 H new ATOM 1883 N GLY A 126 35.849 7.997 -45.699 1.00 32.22 N ATOM 1884 CA GLY A 126 35.938 7.284 -46.960 1.00 22.23 C ATOM 1885 C GLY A 126 34.674 7.410 -47.788 1.00 23.11 C ATOM 1886 O GLY A 126 33.621 7.786 -47.272 1.00 73.43 O ATOM 0 H GLY A 126 35.312 7.521 -44.974 1.00 32.22 H new ATOM 0 HA2 GLY A 126 36.783 7.668 -47.532 1.00 22.23 H new ATOM 0 HA3 GLY A 126 36.137 6.230 -46.765 1.00 22.23 H new ATOM 1890 N PHE A 127 34.778 7.096 -49.074 1.00 42.33 N ATOM 1891 CA PHE A 127 33.635 7.177 -49.977 1.00 23.03 C ATOM 1892 C PHE A 127 33.674 6.055 -51.009 1.00 1.32 C ATOM 1893 O PHE A 127 34.611 5.958 -51.802 1.00 74.31 O ATOM 1894 CB PHE A 127 33.611 8.535 -50.682 1.00 35.24 C ATOM 1895 CG PHE A 127 32.229 8.996 -51.049 1.00 61.51 C ATOM 1896 CD1 PHE A 127 31.860 9.129 -52.378 1.00 3.43 C ATOM 1897 CD2 PHE A 127 31.300 9.295 -50.066 1.00 41.13 C ATOM 1898 CE1 PHE A 127 30.590 9.553 -52.720 1.00 12.22 C ATOM 1899 CE2 PHE A 127 30.028 9.718 -50.402 1.00 13.40 C ATOM 1900 CZ PHE A 127 29.672 9.848 -51.730 1.00 1.02 C ATOM 0 H PHE A 127 35.642 6.783 -49.516 1.00 42.33 H new ATOM 0 HA PHE A 127 32.727 7.067 -49.384 1.00 23.03 H new ATOM 0 HB2 PHE A 127 34.074 9.280 -50.034 1.00 35.24 H new ATOM 0 HB3 PHE A 127 34.218 8.477 -51.586 1.00 35.24 H new ATOM 0 HD1 PHE A 127 32.573 8.899 -53.156 1.00 3.43 H new ATOM 0 HD2 PHE A 127 31.573 9.196 -49.026 1.00 41.13 H new ATOM 0 HE1 PHE A 127 30.315 9.654 -53.760 1.00 12.22 H new ATOM 0 HE2 PHE A 127 29.312 9.947 -49.626 1.00 13.40 H new ATOM 0 HZ PHE A 127 28.679 10.179 -51.994 1.00 1.02 H new ATOM 1910 N LYS A 128 32.652 5.208 -50.993 1.00 65.05 N ATOM 1911 CA LYS A 128 32.568 4.091 -51.927 1.00 0.22 C ATOM 1912 C LYS A 128 33.795 3.194 -51.815 1.00 2.55 C ATOM 1913 O LYS A 128 34.631 3.129 -52.716 1.00 2.22 O ATOM 1914 CB LYS A 128 32.431 4.609 -53.361 1.00 35.34 C ATOM 1915 CG LYS A 128 31.703 3.650 -54.287 1.00 41.42 C ATOM 1916 CD LYS A 128 30.199 3.858 -54.234 1.00 55.02 C ATOM 1917 CE LYS A 128 29.555 3.007 -53.150 1.00 44.30 C ATOM 1918 NZ LYS A 128 28.086 2.869 -53.350 1.00 71.43 N1+ ATOM 0 H LYS A 128 31.869 5.273 -50.343 1.00 65.05 H new ATOM 0 HA LYS A 128 31.686 3.503 -51.673 1.00 0.22 H new ATOM 0 HB2 LYS A 128 31.899 5.560 -53.346 1.00 35.34 H new ATOM 0 HB3 LYS A 128 33.425 4.806 -53.764 1.00 35.34 H new ATOM 0 HG2 LYS A 128 32.055 3.792 -55.309 1.00 41.42 H new ATOM 0 HG3 LYS A 128 31.939 2.623 -54.008 1.00 41.42 H new ATOM 0 HD2 LYS A 128 29.983 4.910 -54.048 1.00 55.02 H new ATOM 0 HD3 LYS A 128 29.762 3.609 -55.201 1.00 55.02 H new ATOM 0 HE2 LYS A 128 30.015 2.019 -53.144 1.00 44.30 H new ATOM 0 HE3 LYS A 128 29.748 3.454 -52.175 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 27.686 2.282 -52.590 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 27.643 3.810 -53.331 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 27.902 2.419 -54.269 1.00 71.43 H new ATOM 1932 N PRO A 129 33.908 2.483 -50.682 1.00 72.11 N ATOM 1933 CA PRO A 129 35.029 1.574 -50.427 1.00 73.12 C ATOM 1934 C PRO A 129 34.986 0.336 -51.315 1.00 21.15 C ATOM 1935 O PRO A 129 36.004 -0.325 -51.525 1.00 62.32 O ATOM 1936 CB PRO A 129 34.842 1.185 -48.958 1.00 45.02 C ATOM 1937 CG PRO A 129 33.385 1.360 -48.702 1.00 53.15 C ATOM 1938 CD PRO A 129 32.948 2.512 -49.565 1.00 34.35 C ATOM 0 HA PRO A 129 35.990 2.042 -50.640 1.00 73.12 H new ATOM 0 HB2 PRO A 129 35.155 0.156 -48.778 1.00 45.02 H new ATOM 0 HB3 PRO A 129 35.438 1.819 -48.302 1.00 45.02 H new ATOM 0 HG2 PRO A 129 32.833 0.454 -48.952 1.00 53.15 H new ATOM 0 HG3 PRO A 129 33.196 1.568 -47.649 1.00 53.15 H new ATOM 0 HD2 PRO A 129 31.923 2.387 -49.913 1.00 34.35 H new ATOM 0 HD3 PRO A 129 32.989 3.458 -49.024 1.00 34.35 H new ATOM 1946 N LYS A 130 33.803 0.027 -51.835 1.00 15.20 N ATOM 1947 CA LYS A 130 33.627 -1.131 -52.703 1.00 11.44 C ATOM 1948 C LYS A 130 33.039 -0.718 -54.049 1.00 3.25 C ATOM 1949 O LYS A 130 32.451 0.354 -54.193 1.00 43.11 O ATOM 1950 CB LYS A 130 32.719 -2.163 -52.033 1.00 1.11 C ATOM 1951 CG LYS A 130 33.468 -3.162 -51.167 1.00 1.34 C ATOM 1952 CD LYS A 130 32.534 -3.886 -50.213 1.00 53.24 C ATOM 1953 CE LYS A 130 33.306 -4.654 -49.152 1.00 72.42 C ATOM 1954 NZ LYS A 130 34.229 -5.654 -49.753 1.00 22.44 N1+ ATOM 0 H LYS A 130 32.951 0.563 -51.670 1.00 15.20 H new ATOM 0 HA LYS A 130 34.607 -1.576 -52.876 1.00 11.44 H new ATOM 0 HB2 LYS A 130 31.983 -1.643 -51.420 1.00 1.11 H new ATOM 0 HB3 LYS A 130 32.168 -2.703 -52.803 1.00 1.11 H new ATOM 0 HG2 LYS A 130 33.974 -3.888 -51.803 1.00 1.34 H new ATOM 0 HG3 LYS A 130 34.240 -2.644 -50.598 1.00 1.34 H new ATOM 0 HD2 LYS A 130 31.873 -3.165 -49.733 1.00 53.24 H new ATOM 0 HD3 LYS A 130 31.902 -4.574 -50.774 1.00 53.24 H new ATOM 0 HE2 LYS A 130 33.876 -3.955 -48.541 1.00 72.42 H new ATOM 0 HE3 LYS A 130 32.605 -5.160 -48.488 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 34.635 -6.248 -49.002 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 33.704 -6.253 -50.422 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 34.994 -5.162 -50.256 1.00 22.44 H new ATOM 1968 N PRO A 131 33.198 -1.588 -55.057 1.00 61.00 N ATOM 1969 CA PRO A 131 32.687 -1.336 -56.408 1.00 32.35 C ATOM 1970 C PRO A 131 31.165 -1.390 -56.471 1.00 31.34 C ATOM 1971 O PRO A 131 30.535 -0.611 -57.187 1.00 23.11 O ATOM 1972 CB PRO A 131 33.298 -2.470 -57.235 1.00 15.11 C ATOM 1973 CG PRO A 131 33.547 -3.563 -56.254 1.00 73.03 C ATOM 1974 CD PRO A 131 33.889 -2.885 -54.956 1.00 44.23 C ATOM 0 HA PRO A 131 32.950 -0.340 -56.765 1.00 32.35 H new ATOM 0 HB2 PRO A 131 32.620 -2.794 -58.025 1.00 15.11 H new ATOM 0 HB3 PRO A 131 34.222 -2.154 -57.718 1.00 15.11 H new ATOM 0 HG2 PRO A 131 32.667 -4.196 -56.143 1.00 73.03 H new ATOM 0 HG3 PRO A 131 34.362 -4.206 -56.585 1.00 73.03 H new ATOM 0 HD2 PRO A 131 33.541 -3.460 -54.098 1.00 44.23 H new ATOM 0 HD3 PRO A 131 34.965 -2.759 -54.840 1.00 44.23 H new ATOM 1982 N HIS A 132 30.578 -2.316 -55.718 1.00 72.12 N ATOM 1983 CA HIS A 132 29.128 -2.471 -55.688 1.00 11.44 C ATOM 1984 C HIS A 132 28.610 -2.460 -54.253 1.00 44.33 C ATOM 1985 O HIS A 132 28.637 -3.499 -53.596 1.00 51.01 O ATOM 1986 CB HIS A 132 28.719 -3.771 -56.381 1.00 21.33 C ATOM 1987 CG HIS A 132 27.253 -3.855 -56.679 1.00 14.41 C ATOM 1988 ND1 HIS A 132 26.699 -3.399 -57.857 1.00 32.41 N ATOM 1989 CD2 HIS A 132 26.228 -4.346 -55.947 1.00 31.54 C ATOM 1990 CE1 HIS A 132 25.394 -3.605 -57.835 1.00 53.00 C ATOM 1991 NE2 HIS A 132 25.082 -4.180 -56.687 1.00 24.25 N ATOM 0 H HIS A 132 31.084 -2.970 -55.121 1.00 72.12 H new ATOM 0 HA HIS A 132 28.686 -1.629 -56.221 1.00 11.44 H new ATOM 0 HB2 HIS A 132 29.277 -3.868 -57.312 1.00 21.33 H new ATOM 0 HB3 HIS A 132 29.002 -4.614 -55.751 1.00 21.33 H new ATOM 0 HD2 HIS A 132 26.297 -4.787 -54.963 1.00 31.54 H new ATOM 0 HE1 HIS A 132 24.700 -3.347 -58.622 1.00 53.00 H new ATOM 0 HE2 HIS A 132 24.144 -4.456 -56.397 1.00 24.25 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 10.806 16.799 -34.307 1.00 71.43 FE HETATM 2001 FE2 FES A 200 9.912 14.666 -35.753 1.00 2.34 FE HETATM 2002 S1 FES A 200 11.186 14.682 -33.982 1.00 50.50 S HETATM 2003 S2 FES A 200 9.493 16.782 -36.060 1.00 65.42 S