USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 TYR OH : rot 180:sc= 0.00617 USER MOD Set 1.2: A 80 GLN : amide:sc= -0.291 K(o=-0.46,f=-4.7!) USER MOD Set 1.3: A 83 GLN : amide:sc= -0.175 K(o=-0.46,f=-4.4!) USER MOD Set 2.1: A 69 TYR OH : rot 133:sc= 0.154 USER MOD Set 2.2: A 114 THR OG1 : rot -83:sc= 0.732 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 122 LYS NZ :NH3+ 174:sc= 0.17 (180deg=0.0621) USER MOD Set 4.1: A 14 SER OG : rot 119:sc= 0.699 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0.619 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0876 (180deg=-0.238) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -18:sc= 0.123 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -172:sc= -0.538 (180deg=-0.666) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.669 K(o=-0.67,f=-2.5!) USER MOD Single : A 45 MET CE :methyl 157:sc= -0.167 (180deg=-0.847) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -0.0203 (180deg=-0.189) USER MOD Single : A 48 TYR OH : rot -148:sc= 0.016 USER MOD Single : A 49 TYR OH : rot 150:sc= -0.533 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0209 (180deg=-0.22) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.65) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.378 (180deg=-0.657) USER MOD Single : A 89 ASN : amide:sc= -0.253 K(o=-0.25,f=-8.4!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -83:sc= 0.129 USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.923 USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.84 USER MOD Single : A 98 GLN : amide:sc= -0.0826 K(o=-0.083,f=-2.3!) USER MOD Single : A 99 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.177 F(o=-0.97,f=-0.18) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 154:sc= -0.192 (180deg=-1.24) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 164:sc= -0.243 (180deg=-0.704) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0669) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.644 18.440 -5.290 1.00 0.00 N ATOM 2 CA MET A 1 32.669 17.111 -4.628 1.00 0.00 C ATOM 3 C MET A 1 32.520 15.989 -5.650 1.00 0.00 C ATOM 4 O MET A 1 32.315 16.240 -6.838 1.00 0.00 O ATOM 5 CB MET A 1 31.550 17.019 -3.589 1.00 0.00 C ATOM 6 CG MET A 1 31.660 18.057 -2.483 1.00 0.00 C ATOM 7 SD MET A 1 33.166 17.878 -1.508 1.00 0.00 S ATOM 8 CE MET A 1 32.996 19.251 -0.371 1.00 0.00 C ATOM 0 H1 MET A 1 33.415 19.029 -4.915 1.00 0.00 H new ATOM 0 H2 MET A 1 32.768 18.319 -6.316 1.00 0.00 H new ATOM 0 H3 MET A 1 31.732 18.904 -5.104 1.00 0.00 H new ATOM 0 HA MET A 1 33.632 16.998 -4.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.589 17.135 -4.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.559 16.024 -3.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.633 19.054 -2.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.794 17.975 -1.826 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.854 19.275 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.948 20.184 -0.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.082 19.130 0.211 1.00 0.00 H new ATOM 18 N ASP A 2 32.623 14.750 -5.179 1.00 0.00 N ATOM 19 CA ASP A 2 32.502 13.585 -6.050 1.00 0.00 C ATOM 20 C ASP A 2 31.055 13.099 -6.113 1.00 0.00 C ATOM 21 O ASP A 2 30.703 12.275 -6.958 1.00 0.00 O ATOM 22 CB ASP A 2 33.413 12.458 -5.556 1.00 0.00 C ATOM 23 CG ASP A 2 33.340 11.222 -6.432 1.00 0.00 C ATOM 24 OD1 ASP A 2 34.094 11.152 -7.425 1.00 0.00 O ATOM 25 OD2 ASP A 2 32.531 10.322 -6.121 1.00 0.00 O ATOM 0 H ASP A 2 32.790 14.526 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 2 32.810 13.878 -7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 2 34.442 12.816 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 2 33.136 12.193 -4.536 1.00 0.00 H new ATOM 30 N ALA A 3 30.222 13.620 -5.214 1.00 0.00 N ATOM 31 CA ALA A 3 28.811 13.244 -5.160 1.00 0.00 C ATOM 32 C ALA A 3 28.645 11.745 -4.930 1.00 0.00 C ATOM 33 O ALA A 3 29.610 11.043 -4.628 1.00 0.00 O ATOM 34 CB ALA A 3 28.101 13.666 -6.439 1.00 0.00 C ATOM 0 H ALA A 3 30.501 14.305 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 3 28.357 13.764 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 3 27.051 13.379 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 3 28.176 14.747 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 3 28.567 13.174 -7.293 1.00 0.00 H new ATOM 40 N LEU A 4 27.414 11.263 -5.073 1.00 0.00 N ATOM 41 CA LEU A 4 27.118 9.847 -4.881 1.00 0.00 C ATOM 42 C LEU A 4 27.849 8.986 -5.908 1.00 0.00 C ATOM 43 O LEU A 4 28.393 9.495 -6.887 1.00 0.00 O ATOM 44 CB LEU A 4 25.607 9.604 -4.964 1.00 0.00 C ATOM 45 CG LEU A 4 24.889 10.306 -6.122 1.00 0.00 C ATOM 46 CD1 LEU A 4 25.137 9.578 -7.435 1.00 0.00 C ATOM 47 CD2 LEU A 4 23.397 10.403 -5.842 1.00 0.00 C ATOM 0 H LEU A 4 26.605 11.832 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 4 27.469 9.561 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 4 25.433 8.531 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 4 25.152 9.928 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 4 25.293 11.315 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 4 24.617 10.095 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 4 26.206 9.561 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 4 24.765 8.556 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 4 22.902 10.904 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.983 9.402 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 4 23.235 10.973 -4.927 1.00 0.00 H new ATOM 59 N GLU A 5 27.859 7.676 -5.673 1.00 0.00 N ATOM 60 CA GLU A 5 28.520 6.737 -6.575 1.00 0.00 C ATOM 61 C GLU A 5 27.814 5.385 -6.551 1.00 0.00 C ATOM 62 O GLU A 5 27.276 4.936 -7.564 1.00 0.00 O ATOM 63 CB GLU A 5 29.993 6.571 -6.184 1.00 0.00 C ATOM 64 CG GLU A 5 30.840 5.879 -7.243 1.00 0.00 C ATOM 65 CD GLU A 5 30.533 4.400 -7.372 1.00 0.00 C ATOM 66 OE1 GLU A 5 31.067 3.611 -6.563 1.00 0.00 O ATOM 67 OE2 GLU A 5 29.761 4.029 -8.281 1.00 0.00 O ATOM 0 H GLU A 5 27.416 7.240 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 5 28.468 7.138 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 5 30.417 7.554 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 5 30.050 6.000 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.676 6.364 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.894 6.006 -6.997 1.00 0.00 H new ATOM 74 N GLY A 6 27.820 4.740 -5.388 1.00 0.00 N ATOM 75 CA GLY A 6 27.178 3.446 -5.249 1.00 0.00 C ATOM 76 C GLY A 6 28.157 2.344 -4.899 1.00 0.00 C ATOM 77 O GLY A 6 29.184 2.595 -4.269 1.00 0.00 O ATOM 0 H GLY A 6 28.259 5.092 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 6 26.412 3.506 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 6 26.671 3.194 -6.181 1.00 0.00 H new ATOM 81 N GLU A 7 27.837 1.120 -5.309 1.00 0.00 N ATOM 82 CA GLU A 7 28.695 -0.028 -5.036 1.00 0.00 C ATOM 83 C GLU A 7 29.936 -0.001 -5.922 1.00 0.00 C ATOM 84 O GLU A 7 30.010 0.765 -6.882 1.00 0.00 O ATOM 85 CB GLU A 7 27.924 -1.331 -5.256 1.00 0.00 C ATOM 86 CG GLU A 7 26.656 -1.435 -4.424 1.00 0.00 C ATOM 87 CD GLU A 7 26.927 -1.356 -2.934 1.00 0.00 C ATOM 88 OE1 GLU A 7 27.211 -2.409 -2.325 1.00 0.00 O ATOM 89 OE2 GLU A 7 26.853 -0.241 -2.376 1.00 0.00 O ATOM 0 H GLU A 7 26.990 0.898 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 7 29.013 0.026 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.664 -1.416 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.574 -2.173 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 7 25.973 -0.634 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.155 -2.376 -4.649 1.00 0.00 H new ATOM 96 N SER A 8 30.908 -0.845 -5.593 1.00 0.00 N ATOM 97 CA SER A 8 32.147 -0.917 -6.358 1.00 0.00 C ATOM 98 C SER A 8 32.161 -2.147 -7.257 1.00 0.00 C ATOM 99 O SER A 8 32.244 -2.034 -8.480 1.00 0.00 O ATOM 100 CB SER A 8 33.352 -0.945 -5.416 1.00 0.00 C ATOM 101 OG SER A 8 33.402 0.224 -4.616 1.00 0.00 O ATOM 0 H SER A 8 30.862 -1.488 -4.803 1.00 0.00 H new ATOM 0 HA SER A 8 32.208 -0.029 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 8 33.296 -1.825 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 8 34.270 -1.031 -5.997 1.00 0.00 H new ATOM 0 HG SER A 8 34.180 0.181 -4.022 1.00 0.00 H new ATOM 107 N PHE A 9 32.080 -3.322 -6.640 1.00 0.00 N ATOM 108 CA PHE A 9 32.082 -4.578 -7.381 1.00 0.00 C ATOM 109 C PHE A 9 31.158 -5.596 -6.722 1.00 0.00 C ATOM 110 O PHE A 9 30.180 -6.043 -7.323 1.00 0.00 O ATOM 111 CB PHE A 9 33.503 -5.140 -7.468 1.00 0.00 C ATOM 112 CG PHE A 9 33.601 -6.411 -8.263 1.00 0.00 C ATOM 113 CD1 PHE A 9 33.597 -6.381 -9.649 1.00 0.00 C ATOM 114 CD2 PHE A 9 33.701 -7.636 -7.625 1.00 0.00 C ATOM 115 CE1 PHE A 9 33.690 -7.548 -10.382 1.00 0.00 C ATOM 116 CE2 PHE A 9 33.793 -8.807 -8.352 1.00 0.00 C ATOM 117 CZ PHE A 9 33.788 -8.763 -9.732 1.00 0.00 C ATOM 0 H PHE A 9 32.012 -3.430 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 9 31.716 -4.380 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 9 34.154 -4.390 -7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 9 33.875 -5.323 -6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 9 33.520 -5.434 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 9 33.707 -7.676 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 9 33.686 -7.511 -11.461 1.00 0.00 H new ATOM 0 HE2 PHE A 9 33.869 -9.756 -7.842 1.00 0.00 H new ATOM 0 HZ PHE A 9 33.861 -9.677 -10.302 1.00 0.00 H new ATOM 127 N ALA A 10 31.472 -5.955 -5.480 1.00 0.00 N ATOM 128 CA ALA A 10 30.670 -6.920 -4.737 1.00 0.00 C ATOM 129 C ALA A 10 30.957 -6.839 -3.241 1.00 0.00 C ATOM 130 O ALA A 10 31.965 -7.361 -2.764 1.00 0.00 O ATOM 131 CB ALA A 10 30.931 -8.328 -5.250 1.00 0.00 C ATOM 0 H ALA A 10 32.276 -5.592 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 10 29.619 -6.676 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 10 30.326 -9.038 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 10 30.668 -8.385 -6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.986 -8.571 -5.125 1.00 0.00 H new ATOM 137 N LEU A 11 30.066 -6.180 -2.506 1.00 0.00 N ATOM 138 CA LEU A 11 30.223 -6.035 -1.063 1.00 0.00 C ATOM 139 C LEU A 11 29.073 -6.710 -0.320 1.00 0.00 C ATOM 140 O LEU A 11 27.985 -6.888 -0.870 1.00 0.00 O ATOM 141 CB LEU A 11 30.299 -4.557 -0.671 1.00 0.00 C ATOM 142 CG LEU A 11 31.512 -3.796 -1.213 1.00 0.00 C ATOM 143 CD1 LEU A 11 31.316 -3.442 -2.680 1.00 0.00 C ATOM 144 CD2 LEU A 11 31.762 -2.543 -0.387 1.00 0.00 C ATOM 0 H LEU A 11 29.229 -5.738 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 11 31.156 -6.522 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.394 -4.059 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.303 -4.487 0.417 1.00 0.00 H new ATOM 0 HG LEU A 11 32.386 -4.442 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 11 32.190 -2.902 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.186 -4.355 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.431 -2.815 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 11 32.627 -2.012 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.886 -1.896 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.952 -2.822 0.649 1.00 0.00 H new ATOM 156 N SER A 12 29.322 -7.078 0.932 1.00 0.00 N ATOM 157 CA SER A 12 28.309 -7.734 1.752 1.00 0.00 C ATOM 158 C SER A 12 27.394 -6.710 2.416 1.00 0.00 C ATOM 159 O SER A 12 26.454 -7.070 3.123 1.00 0.00 O ATOM 160 CB SER A 12 28.976 -8.604 2.819 1.00 0.00 C ATOM 161 OG SER A 12 29.760 -9.627 2.229 1.00 0.00 O ATOM 0 H SER A 12 30.216 -6.933 1.401 1.00 0.00 H new ATOM 0 HA SER A 12 27.704 -8.364 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 12 29.604 -7.983 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.213 -9.049 3.458 1.00 0.00 H new ATOM 0 HG SER A 12 30.176 -10.167 2.933 1.00 0.00 H new ATOM 167 N PHE A 13 27.676 -5.433 2.182 1.00 0.00 N ATOM 168 CA PHE A 13 26.879 -4.355 2.759 1.00 0.00 C ATOM 169 C PHE A 13 25.669 -4.045 1.885 1.00 0.00 C ATOM 170 O PHE A 13 25.804 -3.797 0.687 1.00 0.00 O ATOM 171 CB PHE A 13 27.735 -3.099 2.937 1.00 0.00 C ATOM 172 CG PHE A 13 27.009 -1.965 3.607 1.00 0.00 C ATOM 173 CD1 PHE A 13 26.909 -1.910 4.988 1.00 0.00 C ATOM 174 CD2 PHE A 13 26.427 -0.956 2.855 1.00 0.00 C ATOM 175 CE1 PHE A 13 26.241 -0.870 5.607 1.00 0.00 C ATOM 176 CE2 PHE A 13 25.759 0.086 3.468 1.00 0.00 C ATOM 177 CZ PHE A 13 25.666 0.129 4.846 1.00 0.00 C ATOM 0 H PHE A 13 28.450 -5.118 1.597 1.00 0.00 H new ATOM 0 HA PHE A 13 26.522 -4.682 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 13 28.618 -3.351 3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 13 28.086 -2.767 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 13 27.358 -2.688 5.587 1.00 0.00 H new ATOM 0 HD2 PHE A 13 26.497 -0.985 1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 13 26.169 -0.839 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 13 25.310 0.866 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 13 25.144 0.943 5.327 1.00 0.00 H new ATOM 187 N SER A 14 24.487 -4.059 2.494 1.00 0.00 N ATOM 188 CA SER A 14 23.251 -3.775 1.774 1.00 0.00 C ATOM 189 C SER A 14 22.533 -2.575 2.382 1.00 0.00 C ATOM 190 O SER A 14 22.480 -2.423 3.603 1.00 0.00 O ATOM 191 CB SER A 14 22.331 -4.997 1.796 1.00 0.00 C ATOM 192 OG SER A 14 21.992 -5.360 3.123 1.00 0.00 O ATOM 0 H SER A 14 24.360 -4.264 3.485 1.00 0.00 H new ATOM 0 HA SER A 14 23.507 -3.540 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 21.423 -4.782 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.823 -5.835 1.302 1.00 0.00 H new ATOM 0 HG SER A 14 21.021 -5.302 3.240 1.00 0.00 H new ATOM 198 N SER A 15 21.982 -1.722 1.522 1.00 0.00 N ATOM 199 CA SER A 15 21.267 -0.534 1.976 1.00 0.00 C ATOM 200 C SER A 15 19.776 -0.650 1.679 1.00 0.00 C ATOM 201 O SER A 15 18.945 -0.087 2.391 1.00 0.00 O ATOM 202 CB SER A 15 21.837 0.717 1.305 1.00 0.00 C ATOM 203 OG SER A 15 23.212 0.878 1.605 1.00 0.00 O ATOM 0 H SER A 15 22.017 -1.832 0.509 1.00 0.00 H new ATOM 0 HA SER A 15 21.399 -0.451 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.703 0.647 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.284 1.595 1.638 1.00 0.00 H new ATOM 0 HG SER A 15 23.441 0.337 2.390 1.00 0.00 H new ATOM 209 N ALA A 16 19.444 -1.390 0.625 1.00 0.00 N ATOM 210 CA ALA A 16 18.053 -1.581 0.228 1.00 0.00 C ATOM 211 C ALA A 16 17.259 -2.301 1.315 1.00 0.00 C ATOM 212 O ALA A 16 16.034 -2.389 1.244 1.00 0.00 O ATOM 213 CB ALA A 16 17.979 -2.353 -1.081 1.00 0.00 C ATOM 0 H ALA A 16 20.121 -1.868 0.030 1.00 0.00 H new ATOM 0 HA ALA A 16 17.607 -0.597 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 16 16.935 -2.488 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.498 -1.797 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.450 -3.328 -0.956 1.00 0.00 H new ATOM 219 N SER A 17 17.965 -2.815 2.318 1.00 0.00 N ATOM 220 CA SER A 17 17.325 -3.528 3.415 1.00 0.00 C ATOM 221 C SER A 17 17.728 -2.937 4.763 1.00 0.00 C ATOM 222 O SER A 17 17.572 -3.578 5.803 1.00 0.00 O ATOM 223 CB SER A 17 17.694 -5.012 3.366 1.00 0.00 C ATOM 224 OG SER A 17 19.095 -5.193 3.472 1.00 0.00 O ATOM 0 H SER A 17 18.980 -2.750 2.392 1.00 0.00 H new ATOM 0 HA SER A 17 16.246 -3.422 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.193 -5.541 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.337 -5.448 2.433 1.00 0.00 H new ATOM 0 HG SER A 17 19.305 -6.150 3.440 1.00 0.00 H new ATOM 230 N ASP A 18 18.240 -1.709 4.741 1.00 0.00 N ATOM 231 CA ASP A 18 18.662 -1.036 5.966 1.00 0.00 C ATOM 232 C ASP A 18 18.477 0.474 5.862 1.00 0.00 C ATOM 233 O ASP A 18 17.434 1.010 6.238 1.00 0.00 O ATOM 234 CB ASP A 18 20.125 -1.366 6.276 1.00 0.00 C ATOM 235 CG ASP A 18 20.347 -2.845 6.524 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.148 -3.291 7.675 1.00 0.00 O ATOM 237 OD2 ASP A 18 20.717 -3.559 5.568 1.00 0.00 O ATOM 0 H ASP A 18 18.372 -1.161 3.891 1.00 0.00 H new ATOM 0 HA ASP A 18 18.033 -1.398 6.779 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.751 -1.042 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.443 -0.802 7.153 1.00 0.00 H new ATOM 242 N ALA A 19 19.498 1.153 5.356 1.00 0.00 N ATOM 243 CA ALA A 19 19.461 2.605 5.207 1.00 0.00 C ATOM 244 C ALA A 19 18.463 3.036 4.135 1.00 0.00 C ATOM 245 O ALA A 19 17.545 3.811 4.406 1.00 0.00 O ATOM 246 CB ALA A 19 20.849 3.133 4.878 1.00 0.00 C ATOM 0 H ALA A 19 20.366 0.721 5.040 1.00 0.00 H new ATOM 0 HA ALA A 19 19.131 3.029 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.810 4.217 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.537 2.874 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.196 2.687 3.946 1.00 0.00 H new ATOM 252 N GLU A 20 18.650 2.531 2.919 1.00 0.00 N ATOM 253 CA GLU A 20 17.768 2.867 1.806 1.00 0.00 C ATOM 254 C GLU A 20 16.325 2.492 2.120 1.00 0.00 C ATOM 255 O GLU A 20 15.395 3.216 1.763 1.00 0.00 O ATOM 256 CB GLU A 20 18.226 2.160 0.528 1.00 0.00 C ATOM 257 CG GLU A 20 17.411 2.531 -0.699 1.00 0.00 C ATOM 258 CD GLU A 20 17.824 1.751 -1.932 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.789 2.171 -2.605 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.183 0.719 -2.224 1.00 0.00 O ATOM 0 H GLU A 20 19.404 1.888 2.679 1.00 0.00 H new ATOM 0 HA GLU A 20 17.818 3.945 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.273 2.401 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.169 1.082 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.355 2.351 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.521 3.598 -0.895 1.00 0.00 H new ATOM 267 N PHE A 21 16.142 1.357 2.790 1.00 0.00 N ATOM 268 CA PHE A 21 14.807 0.893 3.149 1.00 0.00 C ATOM 269 C PHE A 21 14.109 1.906 4.050 1.00 0.00 C ATOM 270 O PHE A 21 12.980 2.315 3.780 1.00 0.00 O ATOM 271 CB PHE A 21 14.878 -0.464 3.855 1.00 0.00 C ATOM 272 CG PHE A 21 13.558 -1.184 3.910 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.591 -0.826 4.838 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.286 -2.219 3.030 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.377 -1.489 4.885 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.074 -2.884 3.072 1.00 0.00 C ATOM 277 CZ PHE A 21 11.119 -2.518 4.001 1.00 0.00 C ATOM 0 H PHE A 21 16.899 0.744 3.094 1.00 0.00 H new ATOM 0 HA PHE A 21 14.232 0.783 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.605 -1.094 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.245 -0.317 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.788 -0.021 5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.029 -2.510 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.632 -1.202 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.874 -3.688 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.172 -3.036 4.036 1.00 0.00 H new ATOM 287 N ASP A 22 14.791 2.308 5.119 1.00 0.00 N ATOM 288 CA ASP A 22 14.240 3.274 6.063 1.00 0.00 C ATOM 289 C ASP A 22 13.820 4.556 5.350 1.00 0.00 C ATOM 290 O ASP A 22 12.834 5.190 5.724 1.00 0.00 O ATOM 291 CB ASP A 22 15.263 3.593 7.155 1.00 0.00 C ATOM 292 CG ASP A 22 14.710 4.527 8.215 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.037 4.037 9.145 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.952 5.748 8.114 1.00 0.00 O ATOM 0 H ASP A 22 15.728 1.979 5.353 1.00 0.00 H new ATOM 0 HA ASP A 22 13.356 2.831 6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.587 2.665 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.145 4.045 6.701 1.00 0.00 H new ATOM 299 N ALA A 23 14.576 4.930 4.320 1.00 0.00 N ATOM 300 CA ALA A 23 14.277 6.132 3.549 1.00 0.00 C ATOM 301 C ALA A 23 12.929 6.004 2.852 1.00 0.00 C ATOM 302 O ALA A 23 12.121 6.934 2.861 1.00 0.00 O ATOM 303 CB ALA A 23 15.376 6.398 2.532 1.00 0.00 C ATOM 0 H ALA A 23 15.399 4.418 4.001 1.00 0.00 H new ATOM 0 HA ALA A 23 14.228 6.976 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.137 7.298 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.325 6.536 3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.454 5.551 1.851 1.00 0.00 H new ATOM 309 N VAL A 24 12.694 4.843 2.247 1.00 0.00 N ATOM 310 CA VAL A 24 11.442 4.585 1.549 1.00 0.00 C ATOM 311 C VAL A 24 10.265 4.654 2.514 1.00 0.00 C ATOM 312 O VAL A 24 9.205 5.183 2.180 1.00 0.00 O ATOM 313 CB VAL A 24 11.455 3.207 0.861 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.164 2.979 0.090 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.661 3.083 -0.057 1.00 0.00 C ATOM 0 H VAL A 24 13.356 4.067 2.227 1.00 0.00 H new ATOM 0 HA VAL A 24 11.333 5.355 0.786 1.00 0.00 H new ATOM 0 HB VAL A 24 11.529 2.438 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.194 2.000 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.318 3.022 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.053 3.751 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.655 2.104 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.619 3.860 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.575 3.197 0.526 1.00 0.00 H new ATOM 325 N VAL A 25 10.464 4.116 3.716 1.00 0.00 N ATOM 326 CA VAL A 25 9.425 4.123 4.738 1.00 0.00 C ATOM 327 C VAL A 25 8.983 5.551 5.042 1.00 0.00 C ATOM 328 O VAL A 25 7.790 5.826 5.183 1.00 0.00 O ATOM 329 CB VAL A 25 9.913 3.449 6.037 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.828 3.483 7.104 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.352 2.019 5.760 1.00 0.00 C ATOM 0 H VAL A 25 11.335 3.671 4.004 1.00 0.00 H new ATOM 0 HA VAL A 25 8.579 3.557 4.349 1.00 0.00 H new ATOM 0 HB VAL A 25 10.772 4.006 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.194 3.002 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.565 4.518 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.946 2.953 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.694 1.557 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.512 1.451 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.166 2.022 5.035 1.00 0.00 H new ATOM 341 N GLY A 26 9.953 6.455 5.142 1.00 0.00 N ATOM 342 CA GLY A 26 9.644 7.846 5.413 1.00 0.00 C ATOM 343 C GLY A 26 8.791 8.455 4.319 1.00 0.00 C ATOM 344 O GLY A 26 7.839 9.186 4.596 1.00 0.00 O ATOM 0 H GLY A 26 10.947 6.248 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.122 7.923 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.570 8.412 5.510 1.00 0.00 H new ATOM 348 N TYR A 27 9.136 8.148 3.072 1.00 0.00 N ATOM 349 CA TYR A 27 8.397 8.660 1.925 1.00 0.00 C ATOM 350 C TYR A 27 6.940 8.218 1.985 1.00 0.00 C ATOM 351 O TYR A 27 6.038 8.971 1.621 1.00 0.00 O ATOM 352 CB TYR A 27 9.037 8.180 0.618 1.00 0.00 C ATOM 353 CG TYR A 27 10.457 8.669 0.414 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.820 9.971 0.743 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.433 7.830 -0.109 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.114 10.419 0.558 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.730 8.272 -0.296 1.00 0.00 C ATOM 358 CZ TYR A 27 13.063 9.567 0.039 1.00 0.00 C ATOM 359 OH TYR A 27 14.353 10.011 -0.146 1.00 0.00 O ATOM 0 H TYR A 27 9.924 7.546 2.831 1.00 0.00 H new ATOM 0 HA TYR A 27 8.433 9.749 1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.033 7.090 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.424 8.514 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.078 10.643 1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.174 6.815 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.380 11.433 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.477 7.607 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 27 14.898 9.287 -0.519 1.00 0.00 H new ATOM 369 N LEU A 28 6.717 6.991 2.448 1.00 0.00 N ATOM 370 CA LEU A 28 5.367 6.451 2.560 1.00 0.00 C ATOM 371 C LEU A 28 4.534 7.283 3.528 1.00 0.00 C ATOM 372 O LEU A 28 3.386 7.618 3.241 1.00 0.00 O ATOM 373 CB LEU A 28 5.408 4.994 3.027 1.00 0.00 C ATOM 374 CG LEU A 28 6.112 4.022 2.077 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.174 2.632 2.690 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.403 3.979 0.730 1.00 0.00 C ATOM 0 H LEU A 28 7.453 6.353 2.751 1.00 0.00 H new ATOM 0 HA LEU A 28 4.903 6.492 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.906 4.954 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.385 4.650 3.180 1.00 0.00 H new ATOM 0 HG LEU A 28 7.130 4.376 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.678 1.953 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.726 2.673 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.163 2.272 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.919 3.282 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.373 3.650 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.408 4.974 0.284 1.00 0.00 H new ATOM 388 N GLU A 29 5.122 7.614 4.675 1.00 0.00 N ATOM 389 CA GLU A 29 4.433 8.407 5.689 1.00 0.00 C ATOM 390 C GLU A 29 3.954 9.738 5.113 1.00 0.00 C ATOM 391 O GLU A 29 2.825 10.161 5.361 1.00 0.00 O ATOM 392 CB GLU A 29 5.355 8.658 6.884 1.00 0.00 C ATOM 393 CG GLU A 29 5.858 7.383 7.540 1.00 0.00 C ATOM 394 CD GLU A 29 6.780 7.656 8.713 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.992 7.846 8.483 1.00 0.00 O ATOM 396 OE2 GLU A 29 6.288 7.680 9.861 1.00 0.00 O ATOM 0 H GLU A 29 6.074 7.345 4.925 1.00 0.00 H new ATOM 0 HA GLU A 29 3.562 7.843 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.209 9.250 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.822 9.253 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.007 6.794 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.386 6.782 6.800 1.00 0.00 H new ATOM 403 N ASP A 30 4.820 10.393 4.344 1.00 0.00 N ATOM 404 CA ASP A 30 4.482 11.675 3.735 1.00 0.00 C ATOM 405 C ASP A 30 3.325 11.529 2.750 1.00 0.00 C ATOM 406 O ASP A 30 2.515 12.443 2.588 1.00 0.00 O ATOM 407 CB ASP A 30 5.701 12.265 3.022 1.00 0.00 C ATOM 408 CG ASP A 30 6.837 12.571 3.978 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.775 13.616 4.659 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.789 11.765 4.047 1.00 0.00 O ATOM 0 H ASP A 30 5.759 10.058 4.129 1.00 0.00 H new ATOM 0 HA ASP A 30 4.172 12.351 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.048 11.565 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.409 13.179 2.505 1.00 0.00 H new ATOM 415 N ILE A 31 3.253 10.375 2.093 1.00 0.00 N ATOM 416 CA ILE A 31 2.195 10.110 1.124 1.00 0.00 C ATOM 417 C ILE A 31 0.858 9.876 1.819 1.00 0.00 C ATOM 418 O ILE A 31 -0.173 10.394 1.395 1.00 0.00 O ATOM 419 CB ILE A 31 2.527 8.886 0.246 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.804 9.141 -0.559 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.365 8.564 -0.685 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.329 7.912 -1.270 1.00 0.00 C ATOM 0 H ILE A 31 3.915 9.609 2.214 1.00 0.00 H new ATOM 0 HA ILE A 31 2.122 10.993 0.489 1.00 0.00 H new ATOM 0 HB ILE A 31 2.692 8.027 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.609 9.921 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.576 9.520 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.618 7.698 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.476 8.344 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.169 9.419 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.235 8.169 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.556 7.137 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.575 7.544 -1.966 1.00 0.00 H new ATOM 434 N ILE A 32 0.882 9.090 2.891 1.00 0.00 N ATOM 435 CA ILE A 32 -0.329 8.781 3.640 1.00 0.00 C ATOM 436 C ILE A 32 -0.943 10.039 4.247 1.00 0.00 C ATOM 437 O ILE A 32 -2.166 10.164 4.331 1.00 0.00 O ATOM 438 CB ILE A 32 -0.046 7.763 4.762 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.608 6.507 4.183 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.334 7.404 5.490 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.208 5.597 5.232 1.00 0.00 C ATOM 0 H ILE A 32 1.728 8.656 3.260 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.036 8.347 2.933 1.00 0.00 H new ATOM 0 HB ILE A 32 0.640 8.215 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.136 5.950 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.389 6.804 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.117 6.684 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.767 8.303 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.041 6.967 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.653 4.728 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.976 6.137 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.428 5.270 5.919 1.00 0.00 H new ATOM 453 N MET A 33 -0.090 10.969 4.666 1.00 0.00 N ATOM 454 CA MET A 33 -0.553 12.217 5.268 1.00 0.00 C ATOM 455 C MET A 33 -0.701 13.312 4.216 1.00 0.00 C ATOM 456 O MET A 33 -0.987 14.464 4.542 1.00 0.00 O ATOM 457 CB MET A 33 0.415 12.670 6.363 1.00 0.00 C ATOM 458 CG MET A 33 0.563 11.669 7.497 1.00 0.00 C ATOM 459 SD MET A 33 1.694 12.236 8.783 1.00 0.00 S ATOM 460 CE MET A 33 3.225 12.344 7.864 1.00 0.00 C ATOM 0 H MET A 33 0.924 10.883 4.600 1.00 0.00 H new ATOM 0 HA MET A 33 -1.532 12.034 5.711 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.394 12.850 5.919 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.070 13.620 6.771 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.415 11.478 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.922 10.721 7.095 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.048 12.544 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.405 11.402 7.346 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.156 13.152 7.135 1.00 0.00 H new ATOM 470 N ASP A 34 -0.504 12.945 2.954 1.00 0.00 N ATOM 471 CA ASP A 34 -0.618 13.897 1.855 1.00 0.00 C ATOM 472 C ASP A 34 -2.083 14.224 1.572 1.00 0.00 C ATOM 473 O ASP A 34 -2.926 13.329 1.508 1.00 0.00 O ATOM 474 CB ASP A 34 0.047 13.334 0.598 1.00 0.00 C ATOM 475 CG ASP A 34 0.107 14.345 -0.529 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.872 14.435 -1.297 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.134 15.047 -0.643 1.00 0.00 O ATOM 0 H ASP A 34 -0.265 11.996 2.667 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.109 14.817 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.057 13.006 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.502 12.454 0.263 1.00 0.00 H new ATOM 482 N ASP A 35 -2.376 15.511 1.407 1.00 0.00 N ATOM 483 CA ASP A 35 -3.739 15.961 1.140 1.00 0.00 C ATOM 484 C ASP A 35 -4.306 15.295 -0.111 1.00 0.00 C ATOM 485 O ASP A 35 -5.411 14.754 -0.089 1.00 0.00 O ATOM 486 CB ASP A 35 -3.773 17.482 0.980 1.00 0.00 C ATOM 487 CG ASP A 35 -3.253 18.203 2.209 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.061 18.483 3.119 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.038 18.486 2.261 1.00 0.00 O ATOM 0 H ASP A 35 -1.687 16.262 1.454 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.358 15.675 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.175 17.767 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.796 17.801 0.780 1.00 0.00 H new ATOM 494 N GLU A 36 -3.543 15.339 -1.199 1.00 0.00 N ATOM 495 CA GLU A 36 -3.972 14.742 -2.460 1.00 0.00 C ATOM 496 C GLU A 36 -4.289 13.259 -2.286 1.00 0.00 C ATOM 497 O GLU A 36 -5.121 12.703 -3.002 1.00 0.00 O ATOM 498 CB GLU A 36 -2.892 14.924 -3.529 1.00 0.00 C ATOM 499 CG GLU A 36 -3.294 14.404 -4.898 1.00 0.00 C ATOM 500 CD GLU A 36 -4.504 15.122 -5.462 1.00 0.00 C ATOM 501 OE1 GLU A 36 -5.640 14.698 -5.162 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.316 16.111 -6.201 1.00 0.00 O ATOM 0 H GLU A 36 -2.625 15.782 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.881 15.251 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.648 15.983 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.985 14.412 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.456 14.517 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.508 13.338 -4.829 1.00 0.00 H new ATOM 509 N PHE A 37 -3.623 12.627 -1.325 1.00 0.00 N ATOM 510 CA PHE A 37 -3.832 11.208 -1.056 1.00 0.00 C ATOM 511 C PHE A 37 -5.151 10.978 -0.324 1.00 0.00 C ATOM 512 O PHE A 37 -5.848 9.996 -0.576 1.00 0.00 O ATOM 513 CB PHE A 37 -2.667 10.651 -0.233 1.00 0.00 C ATOM 514 CG PHE A 37 -2.852 9.221 0.195 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.576 8.181 -0.678 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.298 8.919 1.471 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.742 6.866 -0.285 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.467 7.606 1.869 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.189 6.579 0.990 1.00 0.00 C ATOM 0 H PHE A 37 -2.934 13.074 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.877 10.683 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.751 10.729 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.532 11.271 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.227 8.400 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.516 9.719 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.522 6.064 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.816 7.384 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.321 5.552 1.299 1.00 0.00 H new ATOM 529 N GLN A 38 -5.488 11.891 0.582 1.00 0.00 N ATOM 530 CA GLN A 38 -6.725 11.786 1.348 1.00 0.00 C ATOM 531 C GLN A 38 -7.942 11.928 0.440 1.00 0.00 C ATOM 532 O GLN A 38 -8.919 11.193 0.578 1.00 0.00 O ATOM 533 CB GLN A 38 -6.764 12.853 2.444 1.00 0.00 C ATOM 534 CG GLN A 38 -5.660 12.704 3.478 1.00 0.00 C ATOM 535 CD GLN A 38 -5.663 13.822 4.502 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.711 14.389 4.817 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.488 14.146 5.027 1.00 0.00 N ATOM 0 H GLN A 38 -4.923 12.711 0.803 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.753 10.799 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.688 13.838 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.730 12.810 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.773 11.748 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.695 12.683 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.645 13.650 4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.427 14.891 5.721 1.00 0.00 H new ATOM 546 N LEU A 39 -7.875 12.875 -0.489 1.00 0.00 N ATOM 547 CA LEU A 39 -8.973 13.110 -1.420 1.00 0.00 C ATOM 548 C LEU A 39 -9.109 11.944 -2.396 1.00 0.00 C ATOM 549 O LEU A 39 -10.218 11.550 -2.756 1.00 0.00 O ATOM 550 CB LEU A 39 -8.751 14.421 -2.183 1.00 0.00 C ATOM 551 CG LEU A 39 -9.962 14.935 -2.967 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.915 16.450 -3.084 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.014 14.301 -4.349 1.00 0.00 C ATOM 0 H LEU A 39 -7.073 13.492 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.898 13.190 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.447 15.189 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.922 14.282 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.865 14.655 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.783 16.799 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.924 16.892 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.004 16.747 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.881 14.679 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.106 14.551 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.092 13.218 -4.250 1.00 0.00 H new ATOM 565 N LEU A 40 -7.972 11.395 -2.815 1.00 0.00 N ATOM 566 CA LEU A 40 -7.958 10.272 -3.749 1.00 0.00 C ATOM 567 C LEU A 40 -8.520 9.012 -3.098 1.00 0.00 C ATOM 568 O LEU A 40 -9.238 8.241 -3.734 1.00 0.00 O ATOM 569 CB LEU A 40 -6.529 10.013 -4.240 1.00 0.00 C ATOM 570 CG LEU A 40 -6.345 8.747 -5.084 1.00 0.00 C ATOM 571 CD1 LEU A 40 -7.043 8.887 -6.428 1.00 0.00 C ATOM 572 CD2 LEU A 40 -4.867 8.450 -5.281 1.00 0.00 C ATOM 0 H LEU A 40 -7.047 11.710 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.590 10.530 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.203 10.872 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.871 9.951 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.799 7.912 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.899 7.976 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.109 9.051 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.622 9.734 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.754 7.548 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.392 9.288 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.393 8.301 -4.311 1.00 0.00 H new ATOM 584 N GLN A 41 -8.189 8.812 -1.826 1.00 0.00 N ATOM 585 CA GLN A 41 -8.653 7.642 -1.090 1.00 0.00 C ATOM 586 C GLN A 41 -10.166 7.679 -0.894 1.00 0.00 C ATOM 587 O GLN A 41 -10.866 6.730 -1.239 1.00 0.00 O ATOM 588 CB GLN A 41 -7.954 7.558 0.268 1.00 0.00 C ATOM 589 CG GLN A 41 -8.325 6.323 1.072 1.00 0.00 C ATOM 590 CD GLN A 41 -7.702 6.316 2.455 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.595 5.810 2.647 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.410 6.878 3.428 1.00 0.00 N ATOM 0 H GLN A 41 -7.601 9.445 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.405 6.757 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.875 7.569 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.201 8.446 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.410 6.268 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.007 5.432 0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.323 7.285 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.041 6.902 4.379 1.00 0.00 H new ATOM 601 N ARG A 42 -10.662 8.777 -0.338 1.00 0.00 N ATOM 602 CA ARG A 42 -12.092 8.931 -0.092 1.00 0.00 C ATOM 603 C ARG A 42 -12.884 8.886 -1.396 1.00 0.00 C ATOM 604 O ARG A 42 -14.020 8.416 -1.427 1.00 0.00 O ATOM 605 CB ARG A 42 -12.366 10.246 0.638 1.00 0.00 C ATOM 606 CG ARG A 42 -13.824 10.436 1.020 1.00 0.00 C ATOM 607 CD ARG A 42 -14.047 11.760 1.730 1.00 0.00 C ATOM 608 NE ARG A 42 -13.681 12.897 0.889 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.712 14.160 1.302 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.086 14.447 2.542 1.00 0.00 N ATOM 611 NH2 ARG A 42 -13.368 15.137 0.473 1.00 0.00 N ATOM 0 H ARG A 42 -10.096 9.575 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.415 8.099 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.755 10.286 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.054 11.076 0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.444 10.394 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.141 9.618 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.094 11.845 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.460 11.783 2.648 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.385 12.711 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.351 13.698 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.109 15.417 2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.080 14.919 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.392 16.106 0.789 1.00 0.00 H new ATOM 625 N ASN A 43 -12.274 9.377 -2.470 1.00 0.00 N ATOM 626 CA ASN A 43 -12.923 9.403 -3.776 1.00 0.00 C ATOM 627 C ASN A 43 -13.207 7.992 -4.287 1.00 0.00 C ATOM 628 O ASN A 43 -14.307 7.707 -4.763 1.00 0.00 O ATOM 629 CB ASN A 43 -12.047 10.154 -4.783 1.00 0.00 C ATOM 630 CG ASN A 43 -12.758 10.413 -6.100 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.622 9.643 -6.518 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.395 11.506 -6.762 1.00 0.00 N ATOM 0 H ASN A 43 -11.330 9.763 -2.461 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.876 9.920 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.736 11.105 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.141 9.578 -4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.837 11.733 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.674 12.118 -6.380 1.00 0.00 H new ATOM 639 N PHE A 44 -12.216 7.110 -4.186 1.00 0.00 N ATOM 640 CA PHE A 44 -12.366 5.737 -4.659 1.00 0.00 C ATOM 641 C PHE A 44 -13.177 4.891 -3.675 1.00 0.00 C ATOM 642 O PHE A 44 -13.977 4.049 -4.084 1.00 0.00 O ATOM 643 CB PHE A 44 -10.982 5.114 -4.923 1.00 0.00 C ATOM 644 CG PHE A 44 -10.537 4.097 -3.908 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.930 2.771 -4.009 1.00 0.00 C ATOM 646 CD2 PHE A 44 -9.716 4.469 -2.857 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.514 1.838 -3.078 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.297 3.541 -1.923 1.00 0.00 C ATOM 649 CZ PHE A 44 -9.697 2.225 -2.033 1.00 0.00 C ATOM 0 H PHE A 44 -11.303 7.321 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 44 -12.921 5.757 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.994 4.643 -5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.242 5.913 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.568 2.464 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.399 5.497 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.827 0.808 -3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.657 3.845 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.372 1.498 -1.303 1.00 0.00 H new ATOM 659 N MET A 45 -12.970 5.120 -2.380 1.00 0.00 N ATOM 660 CA MET A 45 -13.684 4.375 -1.348 1.00 0.00 C ATOM 661 C MET A 45 -15.187 4.617 -1.435 1.00 0.00 C ATOM 662 O MET A 45 -15.984 3.757 -1.064 1.00 0.00 O ATOM 663 CB MET A 45 -13.179 4.768 0.043 1.00 0.00 C ATOM 664 CG MET A 45 -11.780 4.260 0.350 1.00 0.00 C ATOM 665 SD MET A 45 -11.255 4.643 2.033 1.00 0.00 S ATOM 666 CE MET A 45 -12.465 3.728 2.987 1.00 0.00 C ATOM 0 H MET A 45 -12.315 5.815 -2.022 1.00 0.00 H new ATOM 0 HA MET A 45 -13.493 3.315 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.189 5.854 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.869 4.382 0.793 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.749 3.181 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.075 4.700 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.064 3.520 3.979 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.377 4.318 3.080 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.691 2.788 2.483 1.00 0.00 H new ATOM 676 N ASP A 46 -15.565 5.791 -1.931 1.00 0.00 N ATOM 677 CA ASP A 46 -16.972 6.153 -2.063 1.00 0.00 C ATOM 678 C ASP A 46 -17.720 5.166 -2.953 1.00 0.00 C ATOM 679 O ASP A 46 -18.913 4.931 -2.764 1.00 0.00 O ATOM 680 CB ASP A 46 -17.102 7.569 -2.627 1.00 0.00 C ATOM 681 CG ASP A 46 -18.547 7.995 -2.799 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.121 8.549 -1.838 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.105 7.777 -3.896 1.00 0.00 O ATOM 0 H ASP A 46 -14.915 6.510 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.420 6.118 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.597 8.269 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.594 7.621 -3.590 1.00 0.00 H new ATOM 688 N LYS A 47 -17.017 4.593 -3.924 1.00 0.00 N ATOM 689 CA LYS A 47 -17.625 3.639 -4.848 1.00 0.00 C ATOM 690 C LYS A 47 -17.463 2.202 -4.357 1.00 0.00 C ATOM 691 O LYS A 47 -18.437 1.459 -4.249 1.00 0.00 O ATOM 692 CB LYS A 47 -16.999 3.782 -6.234 1.00 0.00 C ATOM 693 CG LYS A 47 -17.699 2.964 -7.310 1.00 0.00 C ATOM 694 CD LYS A 47 -19.105 3.478 -7.582 1.00 0.00 C ATOM 695 CE LYS A 47 -19.850 2.577 -8.556 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.115 2.417 -9.841 1.00 0.00 N ATOM 0 H LYS A 47 -16.027 4.771 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.691 3.861 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.013 4.833 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.953 3.480 -6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.115 2.997 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.747 1.920 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.659 3.539 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.052 4.488 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.002 1.598 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.838 2.994 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.721 1.926 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.858 3.354 -10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.252 1.860 -9.680 1.00 0.00 H new ATOM 710 N TYR A 48 -16.224 1.819 -4.071 1.00 0.00 N ATOM 711 CA TYR A 48 -15.920 0.466 -3.606 1.00 0.00 C ATOM 712 C TYR A 48 -16.768 0.068 -2.396 1.00 0.00 C ATOM 713 O TYR A 48 -17.299 -1.040 -2.346 1.00 0.00 O ATOM 714 CB TYR A 48 -14.434 0.343 -3.254 1.00 0.00 C ATOM 715 CG TYR A 48 -13.522 0.156 -4.451 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.630 0.969 -5.574 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.546 -0.835 -4.452 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.794 0.797 -6.662 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.706 -1.011 -5.536 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.834 -0.193 -6.637 1.00 0.00 C ATOM 721 OH TYR A 48 -10.998 -0.364 -7.716 1.00 0.00 O ATOM 0 H TYR A 48 -15.409 2.427 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.162 -0.214 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.126 1.238 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.302 -0.500 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.379 1.747 -5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.442 -1.478 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.892 1.435 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.954 -1.786 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.762 -1.311 -7.800 1.00 0.00 H new ATOM 731 N TYR A 49 -16.894 0.966 -1.423 1.00 0.00 N ATOM 732 CA TYR A 49 -17.668 0.673 -0.218 1.00 0.00 C ATOM 733 C TYR A 49 -19.147 0.452 -0.540 1.00 0.00 C ATOM 734 O TYR A 49 -19.874 -0.155 0.246 1.00 0.00 O ATOM 735 CB TYR A 49 -17.491 1.793 0.820 1.00 0.00 C ATOM 736 CG TYR A 49 -18.667 2.741 0.947 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.810 3.825 0.091 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.624 2.557 1.937 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.875 4.698 0.217 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.693 3.423 2.067 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.814 4.492 1.206 1.00 0.00 C ATOM 742 OH TYR A 49 -21.873 5.360 1.336 1.00 0.00 O ATOM 0 H TYR A 49 -16.474 1.895 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.287 -0.255 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.303 1.339 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.604 2.371 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.078 3.989 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.531 1.723 2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.971 5.537 -0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.430 3.263 2.840 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.647 4.880 1.697 1.00 0.00 H new ATOM 752 N LEU A 50 -19.585 0.941 -1.697 1.00 0.00 N ATOM 753 CA LEU A 50 -20.977 0.786 -2.112 1.00 0.00 C ATOM 754 C LEU A 50 -21.223 -0.587 -2.730 1.00 0.00 C ATOM 755 O LEU A 50 -22.141 -1.303 -2.331 1.00 0.00 O ATOM 756 CB LEU A 50 -21.362 1.877 -3.114 1.00 0.00 C ATOM 757 CG LEU A 50 -21.530 3.277 -2.524 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.803 4.289 -3.623 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.652 3.290 -1.496 1.00 0.00 C ATOM 0 H LEU A 50 -18.999 1.446 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.598 0.879 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.600 1.918 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.296 1.590 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.602 3.554 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.920 5.280 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.969 4.299 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.717 4.016 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.758 4.294 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.586 2.992 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.417 2.593 -0.692 1.00 0.00 H new ATOM 771 N GLU A 51 -20.395 -0.946 -3.706 1.00 0.00 N ATOM 772 CA GLU A 51 -20.524 -2.229 -4.388 1.00 0.00 C ATOM 773 C GLU A 51 -20.289 -3.387 -3.427 1.00 0.00 C ATOM 774 O GLU A 51 -20.964 -4.414 -3.497 1.00 0.00 O ATOM 775 CB GLU A 51 -19.540 -2.304 -5.555 1.00 0.00 C ATOM 776 CG GLU A 51 -18.080 -2.251 -5.135 1.00 0.00 C ATOM 777 CD GLU A 51 -17.140 -2.082 -6.315 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.587 -2.286 -7.464 1.00 0.00 O ATOM 779 OE2 GLU A 51 -15.959 -1.746 -6.089 1.00 0.00 O ATOM 0 H GLU A 51 -19.627 -0.366 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.541 -2.309 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.716 -3.228 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.741 -1.480 -6.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.936 -1.425 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.826 -3.166 -4.601 1.00 0.00 H new ATOM 786 N PHE A 52 -19.327 -3.213 -2.532 1.00 0.00 N ATOM 787 CA PHE A 52 -19.002 -4.243 -1.552 1.00 0.00 C ATOM 788 C PHE A 52 -20.142 -4.433 -0.558 1.00 0.00 C ATOM 789 O PHE A 52 -20.215 -3.746 0.462 1.00 0.00 O ATOM 790 CB PHE A 52 -17.708 -3.894 -0.813 1.00 0.00 C ATOM 791 CG PHE A 52 -16.474 -4.425 -1.486 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.987 -3.836 -2.641 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.803 -5.518 -0.961 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.853 -4.328 -3.261 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.669 -6.014 -1.575 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.194 -5.418 -2.726 1.00 0.00 C ATOM 0 H PHE A 52 -18.758 -2.370 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.857 -5.181 -2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.628 -2.810 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.759 -4.291 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.498 -2.983 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -16.171 -5.988 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.483 -3.861 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.155 -6.866 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.308 -5.804 -3.208 1.00 0.00 H new ATOM 806 N GLU A 53 -21.035 -5.367 -0.871 1.00 0.00 N ATOM 807 CA GLU A 53 -22.174 -5.660 -0.008 1.00 0.00 C ATOM 808 C GLU A 53 -21.910 -6.907 0.827 1.00 0.00 C ATOM 809 O GLU A 53 -21.204 -7.816 0.392 1.00 0.00 O ATOM 810 CB GLU A 53 -23.439 -5.856 -0.846 1.00 0.00 C ATOM 811 CG GLU A 53 -23.925 -4.589 -1.528 1.00 0.00 C ATOM 812 CD GLU A 53 -24.355 -3.522 -0.539 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.511 -3.582 -0.068 1.00 0.00 O ATOM 814 OE2 GLU A 53 -23.538 -2.629 -0.234 1.00 0.00 O ATOM 0 H GLU A 53 -20.991 -5.935 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.318 -4.814 0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.247 -6.615 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.233 -6.240 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.130 -4.194 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.762 -4.831 -2.182 1.00 0.00 H new ATOM 821 N ASP A 54 -22.481 -6.945 2.026 1.00 0.00 N ATOM 822 CA ASP A 54 -22.310 -8.075 2.916 1.00 0.00 C ATOM 823 C ASP A 54 -23.046 -9.302 2.387 1.00 0.00 C ATOM 824 O ASP A 54 -24.179 -9.577 2.780 1.00 0.00 O ATOM 825 CB ASP A 54 -22.820 -7.708 4.307 1.00 0.00 C ATOM 826 CG ASP A 54 -24.114 -6.921 4.262 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.049 -5.675 4.204 1.00 0.00 O ATOM 828 OD2 ASP A 54 -25.193 -7.550 4.287 1.00 0.00 O ATOM 0 H ASP A 54 -23.068 -6.200 2.400 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.249 -8.320 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.972 -8.619 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.061 -7.123 4.826 1.00 0.00 H new ATOM 833 N THR A 55 -22.392 -10.029 1.486 1.00 0.00 N ATOM 834 CA THR A 55 -22.980 -11.227 0.897 1.00 0.00 C ATOM 835 C THR A 55 -22.083 -12.440 1.114 1.00 0.00 C ATOM 836 O THR A 55 -20.868 -12.308 1.262 1.00 0.00 O ATOM 837 CB THR A 55 -23.228 -11.049 -0.613 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.010 -10.680 -1.271 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.290 -9.990 -0.865 1.00 0.00 C ATOM 0 H THR A 55 -21.455 -9.809 1.148 1.00 0.00 H new ATOM 0 HA THR A 55 -23.935 -11.389 1.396 1.00 0.00 H new ATOM 0 HB THR A 55 -23.582 -11.998 -1.015 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.177 -10.571 -2.231 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.448 -9.882 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.223 -10.290 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.960 -9.038 -0.449 1.00 0.00 H new ATOM 847 N GLU A 56 -22.691 -13.622 1.129 1.00 0.00 N ATOM 848 CA GLU A 56 -21.952 -14.861 1.332 1.00 0.00 C ATOM 849 C GLU A 56 -21.569 -15.497 -0.002 1.00 0.00 C ATOM 850 O GLU A 56 -20.648 -16.312 -0.069 1.00 0.00 O ATOM 851 CB GLU A 56 -22.781 -15.845 2.158 1.00 0.00 C ATOM 852 CG GLU A 56 -24.123 -16.186 1.531 1.00 0.00 C ATOM 853 CD GLU A 56 -24.920 -17.173 2.363 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.653 -16.728 3.269 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.808 -18.391 2.107 1.00 0.00 O ATOM 0 H GLU A 56 -23.695 -13.747 1.003 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.037 -14.621 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.210 -16.763 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.949 -15.423 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.703 -15.272 1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.960 -16.602 0.537 1.00 0.00 H new ATOM 862 N GLU A 57 -22.280 -15.121 -1.059 1.00 0.00 N ATOM 863 CA GLU A 57 -22.012 -15.658 -2.389 1.00 0.00 C ATOM 864 C GLU A 57 -20.770 -15.009 -2.991 1.00 0.00 C ATOM 865 O GLU A 57 -20.481 -13.842 -2.730 1.00 0.00 O ATOM 866 CB GLU A 57 -23.217 -15.434 -3.306 1.00 0.00 C ATOM 867 CG GLU A 57 -23.089 -16.119 -4.658 1.00 0.00 C ATOM 868 CD GLU A 57 -24.272 -15.843 -5.565 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.292 -16.553 -5.444 1.00 0.00 O ATOM 870 OE2 GLU A 57 -24.177 -14.917 -6.398 1.00 0.00 O ATOM 0 H GLU A 57 -23.045 -14.448 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.834 -16.729 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.115 -15.798 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.351 -14.363 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.175 -15.782 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.993 -17.194 -4.509 1.00 0.00 H new ATOM 877 N ASN A 58 -20.040 -15.775 -3.795 1.00 0.00 N ATOM 878 CA ASN A 58 -18.827 -15.276 -4.436 1.00 0.00 C ATOM 879 C ASN A 58 -19.122 -14.796 -5.854 1.00 0.00 C ATOM 880 O ASN A 58 -19.610 -15.560 -6.686 1.00 0.00 O ATOM 881 CB ASN A 58 -17.756 -16.368 -4.466 1.00 0.00 C ATOM 882 CG ASN A 58 -16.467 -15.897 -5.110 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.285 -16.017 -6.322 1.00 0.00 O ATOM 884 ND2 ASN A 58 -15.562 -15.360 -4.299 1.00 0.00 N ATOM 0 H ASN A 58 -20.267 -16.744 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.457 -14.431 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.550 -16.699 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.137 -17.232 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.674 -15.027 -4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.755 -15.280 -3.301 1.00 0.00 H new ATOM 891 N LYS A 59 -18.821 -13.529 -6.122 1.00 0.00 N ATOM 892 CA LYS A 59 -19.058 -12.950 -7.440 1.00 0.00 C ATOM 893 C LYS A 59 -17.748 -12.766 -8.201 1.00 0.00 C ATOM 894 O LYS A 59 -16.696 -12.548 -7.602 1.00 0.00 O ATOM 895 CB LYS A 59 -19.776 -11.606 -7.306 1.00 0.00 C ATOM 896 CG LYS A 59 -21.152 -11.714 -6.670 1.00 0.00 C ATOM 897 CD LYS A 59 -21.805 -10.349 -6.519 1.00 0.00 C ATOM 898 CE LYS A 59 -23.204 -10.463 -5.941 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.117 -11.224 -6.838 1.00 0.00 N ATOM 0 H LYS A 59 -18.413 -12.884 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.688 -13.639 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.161 -10.932 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -19.875 -11.156 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -21.787 -12.357 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.066 -12.187 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.193 -9.721 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.850 -9.857 -7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.156 -10.956 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.609 -9.465 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.102 -11.067 -6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.992 -10.899 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.896 -12.238 -6.779 1.00 0.00 H new ATOM 913 N LEU A 60 -17.824 -12.855 -9.525 1.00 0.00 N ATOM 914 CA LEU A 60 -16.648 -12.695 -10.370 1.00 0.00 C ATOM 915 C LEU A 60 -16.313 -11.218 -10.550 1.00 0.00 C ATOM 916 O LEU A 60 -15.263 -10.869 -11.090 1.00 0.00 O ATOM 917 CB LEU A 60 -16.881 -13.349 -11.736 1.00 0.00 C ATOM 918 CG LEU A 60 -15.653 -13.416 -12.647 1.00 0.00 C ATOM 919 CD1 LEU A 60 -14.580 -14.307 -12.038 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.042 -13.917 -14.030 1.00 0.00 C ATOM 0 H LEU A 60 -18.688 -13.037 -10.035 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.807 -13.186 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.251 -14.362 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.668 -12.800 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.245 -12.410 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.716 -14.341 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.279 -13.905 -11.070 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.975 -15.314 -11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.157 -13.958 -14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.476 -14.913 -13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.773 -13.239 -14.471 1.00 0.00 H new ATOM 932 N ILE A 61 -17.213 -10.355 -10.089 1.00 0.00 N ATOM 933 CA ILE A 61 -17.018 -8.915 -10.203 1.00 0.00 C ATOM 934 C ILE A 61 -15.836 -8.452 -9.353 1.00 0.00 C ATOM 935 O ILE A 61 -15.298 -7.364 -9.561 1.00 0.00 O ATOM 936 CB ILE A 61 -18.286 -8.141 -9.785 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.160 -6.663 -10.162 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.543 -8.294 -8.292 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.145 -6.418 -11.657 1.00 0.00 C ATOM 0 H ILE A 61 -18.084 -10.628 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 61 -16.808 -8.703 -11.251 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.137 -8.562 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -18.990 -6.112 -9.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.244 -6.262 -9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.441 -7.741 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -18.680 -9.349 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -17.692 -7.903 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.054 -5.349 -11.850 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.299 -6.941 -12.103 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.072 -6.788 -12.096 1.00 0.00 H new ATOM 951 N TYR A 62 -15.427 -9.287 -8.404 1.00 0.00 N ATOM 952 CA TYR A 62 -14.307 -8.956 -7.530 1.00 0.00 C ATOM 953 C TYR A 62 -12.983 -8.985 -8.290 1.00 0.00 C ATOM 954 O TYR A 62 -11.976 -8.463 -7.813 1.00 0.00 O ATOM 955 CB TYR A 62 -14.251 -9.920 -6.343 1.00 0.00 C ATOM 956 CG TYR A 62 -15.367 -9.712 -5.344 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.495 -8.510 -4.659 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.293 -10.715 -5.090 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.516 -8.314 -3.749 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.318 -10.526 -4.182 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.424 -9.323 -3.514 1.00 0.00 C ATOM 962 OH TYR A 62 -18.442 -9.130 -2.609 1.00 0.00 O ATOM 0 H TYR A 62 -15.853 -10.196 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.464 -7.943 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.293 -10.944 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.293 -9.804 -5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.785 -7.716 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.211 -11.658 -5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.602 -7.374 -3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.032 -11.315 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.995 -9.938 -2.561 1.00 0.00 H new ATOM 972 N THR A 63 -12.989 -9.592 -9.474 1.00 0.00 N ATOM 973 CA THR A 63 -11.779 -9.680 -10.286 1.00 0.00 C ATOM 974 C THR A 63 -11.472 -8.347 -10.978 1.00 0.00 C ATOM 975 O THR A 63 -10.360 -7.833 -10.857 1.00 0.00 O ATOM 976 CB THR A 63 -11.876 -10.807 -11.336 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.072 -12.066 -10.683 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.620 -10.867 -12.193 1.00 0.00 C ATOM 0 H THR A 63 -13.812 -10.027 -9.890 1.00 0.00 H new ATOM 0 HA THR A 63 -10.961 -9.916 -9.605 1.00 0.00 H new ATOM 0 HB THR A 63 -12.726 -10.594 -11.984 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.134 -12.777 -11.355 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.716 -11.670 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.488 -9.918 -12.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.755 -11.056 -11.558 1.00 0.00 H new ATOM 986 N PRO A 64 -12.442 -7.760 -11.718 1.00 0.00 N ATOM 987 CA PRO A 64 -12.231 -6.474 -12.392 1.00 0.00 C ATOM 988 C PRO A 64 -12.037 -5.338 -11.394 1.00 0.00 C ATOM 989 O PRO A 64 -11.240 -4.428 -11.622 1.00 0.00 O ATOM 990 CB PRO A 64 -13.516 -6.266 -13.199 1.00 0.00 C ATOM 991 CG PRO A 64 -14.536 -7.112 -12.523 1.00 0.00 C ATOM 992 CD PRO A 64 -13.791 -8.297 -11.976 1.00 0.00 C ATOM 0 HA PRO A 64 -11.332 -6.479 -13.009 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.813 -5.217 -13.204 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.382 -6.564 -14.239 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.034 -6.561 -11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.309 -7.426 -13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.253 -8.677 -11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.766 -9.121 -12.689 1.00 0.00 H new ATOM 1000 N ILE A 65 -12.774 -5.396 -10.287 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.673 -4.375 -9.251 1.00 0.00 C ATOM 1002 C ILE A 65 -11.276 -4.360 -8.642 1.00 0.00 C ATOM 1003 O ILE A 65 -10.667 -3.302 -8.487 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.706 -4.603 -8.129 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.126 -4.534 -8.692 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.520 -3.575 -7.020 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.191 -4.975 -7.709 1.00 0.00 C ATOM 0 H ILE A 65 -13.445 -6.137 -10.086 1.00 0.00 H new ATOM 0 HA ILE A 65 -12.876 -3.416 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.550 -5.596 -7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.334 -3.511 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.185 -5.159 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.256 -3.749 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.517 -3.667 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.653 -2.573 -7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.172 -4.899 -8.177 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.008 -6.008 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.160 -4.335 -6.827 1.00 0.00 H new ATOM 1019 N PHE A 66 -10.777 -5.543 -8.299 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.451 -5.673 -7.707 1.00 0.00 C ATOM 1021 C PHE A 66 -8.389 -5.078 -8.624 1.00 0.00 C ATOM 1022 O PHE A 66 -7.525 -4.321 -8.182 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.139 -7.145 -7.430 1.00 0.00 C ATOM 1024 CG PHE A 66 -7.838 -7.360 -6.709 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -7.769 -7.244 -5.330 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -6.686 -7.681 -7.409 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.576 -7.441 -4.662 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.489 -7.878 -6.748 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.434 -7.759 -5.372 1.00 0.00 C ATOM 0 H PHE A 66 -11.272 -6.426 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.441 -5.124 -6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.948 -7.574 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.114 -7.687 -8.376 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.659 -6.996 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.724 -7.778 -8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.536 -7.347 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.598 -8.125 -7.306 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.500 -7.914 -4.853 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.465 -5.425 -9.905 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.515 -4.928 -10.892 1.00 0.00 C ATOM 1041 C ASN A 67 -7.523 -3.401 -10.933 1.00 0.00 C ATOM 1042 O ASN A 67 -6.488 -2.771 -11.152 1.00 0.00 O ATOM 1043 CB ASN A 67 -7.845 -5.494 -12.275 1.00 0.00 C ATOM 1044 CG ASN A 67 -7.830 -7.010 -12.296 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.084 -7.646 -11.553 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.659 -7.597 -13.152 1.00 0.00 N ATOM 0 H ASN A 67 -9.177 -6.050 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.517 -5.258 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.828 -5.138 -12.585 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.125 -5.116 -13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.694 -8.615 -13.212 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.260 -7.030 -13.750 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.699 -2.815 -10.719 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.844 -1.361 -10.722 1.00 0.00 C ATOM 1055 C GLU A 68 -8.150 -0.746 -9.511 1.00 0.00 C ATOM 1056 O GLU A 68 -7.522 0.306 -9.612 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.325 -0.974 -10.719 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.563 0.526 -10.627 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.969 1.287 -11.797 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -10.664 1.437 -12.824 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -8.807 1.734 -11.687 1.00 0.00 O ATOM 0 H GLU A 68 -9.565 -3.324 -10.541 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.375 -0.976 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.793 -1.352 -11.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.818 -1.464 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.635 0.717 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.133 0.902 -9.699 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.275 -1.412 -8.369 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.666 -0.939 -7.131 1.00 0.00 C ATOM 1070 C TYR A 69 -6.144 -0.924 -7.240 1.00 0.00 C ATOM 1071 O TYR A 69 -5.482 -0.011 -6.745 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.095 -1.832 -5.965 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.433 -1.482 -4.654 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -7.804 -0.345 -3.950 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.437 -2.289 -4.118 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.202 -0.022 -2.749 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.830 -1.973 -2.918 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.216 -0.839 -2.238 1.00 0.00 C ATOM 1079 OH TYR A 69 -5.614 -0.519 -1.042 1.00 0.00 O ATOM 0 H TYR A 69 -8.795 -2.285 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.006 0.081 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.176 -1.763 -5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.867 -2.869 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.576 0.298 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.132 -3.179 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.502 0.866 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.057 -2.611 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.577 -1.315 -0.471 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.599 -1.943 -7.892 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.158 -2.062 -8.067 1.00 0.00 C ATOM 1091 C ILE A 70 -3.640 -1.064 -9.099 1.00 0.00 C ATOM 1092 O ILE A 70 -2.493 -0.624 -9.033 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.774 -3.491 -8.498 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.385 -4.516 -7.536 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.259 -3.643 -8.562 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.848 -4.426 -6.122 1.00 0.00 C ATOM 0 H ILE A 70 -6.137 -2.702 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.696 -1.841 -7.105 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.173 -3.674 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.466 -4.379 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.199 -5.518 -7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.008 -4.659 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.853 -2.935 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.832 -3.444 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.328 -5.183 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.771 -4.594 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.058 -3.437 -5.715 1.00 0.00 H new ATOM 1108 N SER A 71 -4.491 -0.711 -10.055 1.00 0.00 N ATOM 1109 CA SER A 71 -4.112 0.230 -11.101 1.00 0.00 C ATOM 1110 C SER A 71 -4.315 1.677 -10.653 1.00 0.00 C ATOM 1111 O SER A 71 -3.637 2.582 -11.136 1.00 0.00 O ATOM 1112 CB SER A 71 -4.923 -0.036 -12.370 1.00 0.00 C ATOM 1113 OG SER A 71 -4.569 0.867 -13.403 1.00 0.00 O ATOM 0 H SER A 71 -5.446 -1.062 -10.127 1.00 0.00 H new ATOM 0 HA SER A 71 -3.052 0.084 -11.309 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.754 -1.060 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.987 0.057 -12.151 1.00 0.00 H new ATOM 0 HG SER A 71 -5.101 0.674 -14.203 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.266 1.896 -9.751 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.551 3.241 -9.263 1.00 0.00 C ATOM 1121 C LEU A 72 -4.740 3.587 -8.010 1.00 0.00 C ATOM 1122 O LEU A 72 -3.892 4.481 -8.034 1.00 0.00 O ATOM 1123 CB LEU A 72 -7.054 3.380 -8.977 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.570 4.805 -8.710 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.297 5.226 -7.272 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.954 5.800 -9.687 1.00 0.00 C ATOM 0 H LEU A 72 -5.849 1.165 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.256 3.945 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.603 2.971 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.296 2.761 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.649 4.801 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.672 6.237 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.800 4.540 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.224 5.203 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.335 6.799 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.870 5.794 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.216 5.519 -10.707 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.994 2.860 -6.925 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.319 3.115 -5.652 1.00 0.00 C ATOM 1140 C VAL A 73 -2.871 2.634 -5.635 1.00 0.00 C ATOM 1141 O VAL A 73 -1.949 3.434 -5.474 1.00 0.00 O ATOM 1142 CB VAL A 73 -5.078 2.460 -4.483 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.445 2.841 -3.153 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.545 2.858 -4.516 1.00 0.00 C ATOM 0 H VAL A 73 -5.662 2.089 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.313 4.199 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.013 1.377 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.995 2.368 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.409 2.504 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.477 3.924 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.068 2.387 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.630 3.941 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.990 2.531 -5.456 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.676 1.328 -5.800 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.335 0.748 -5.779 1.00 0.00 C ATOM 1156 C GLU A 74 -0.409 1.472 -6.750 1.00 0.00 C ATOM 1157 O GLU A 74 0.736 1.780 -6.417 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.394 -0.744 -6.116 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.072 -1.473 -5.929 1.00 0.00 C ATOM 1160 CD GLU A 74 0.894 -1.246 -7.076 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.623 -1.743 -8.189 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.923 -0.571 -6.860 1.00 0.00 O ATOM 0 H GLU A 74 -3.426 0.653 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.932 0.867 -4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.150 -1.218 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.718 -0.860 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.391 -1.142 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.263 -2.541 -5.827 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.912 1.745 -7.947 1.00 0.00 N ATOM 1170 CA LYS A 75 -0.126 2.435 -8.961 1.00 0.00 C ATOM 1171 C LYS A 75 0.255 3.833 -8.485 1.00 0.00 C ATOM 1172 O LYS A 75 1.384 4.279 -8.692 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.908 2.520 -10.269 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.074 2.975 -11.455 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.933 3.184 -12.691 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.099 3.616 -13.885 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.615 4.898 -13.631 1.00 0.00 N ATOM 0 H LYS A 75 -1.858 1.500 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 75 0.788 1.867 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.334 1.542 -10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.743 3.209 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.439 3.904 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.696 2.233 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.459 2.260 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.692 3.939 -12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.626 2.838 -14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.744 3.726 -14.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.990 5.270 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.046 5.588 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.400 4.733 -12.969 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.695 4.521 -7.851 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.454 5.868 -7.341 1.00 0.00 C ATOM 1193 C TYR A 76 0.784 5.908 -6.445 1.00 0.00 C ATOM 1194 O TYR A 76 1.624 6.799 -6.575 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.676 6.363 -6.565 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.556 7.793 -6.085 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.715 8.858 -6.963 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.289 8.076 -4.751 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.609 10.165 -6.525 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.182 9.379 -4.305 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.342 10.420 -5.196 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.239 11.720 -4.755 1.00 0.00 O ATOM 0 H TYR A 76 -1.636 4.167 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.278 6.524 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.558 6.275 -7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.836 5.713 -5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.925 8.662 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.163 7.263 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.735 10.982 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.974 9.582 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.049 11.725 -3.794 1.00 0.00 H new ATOM 1212 N ILE A 77 0.893 4.940 -5.536 1.00 0.00 N ATOM 1213 CA ILE A 77 2.032 4.873 -4.624 1.00 0.00 C ATOM 1214 C ILE A 77 3.336 4.671 -5.389 1.00 0.00 C ATOM 1215 O ILE A 77 4.349 5.302 -5.089 1.00 0.00 O ATOM 1216 CB ILE A 77 1.878 3.726 -3.603 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.536 3.829 -2.873 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.031 3.747 -2.609 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.252 2.651 -1.964 1.00 0.00 C ATOM 0 H ILE A 77 0.208 4.194 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 77 2.060 5.824 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 77 1.900 2.778 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.522 4.745 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.264 3.911 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.910 2.933 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.974 3.625 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.036 4.699 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.714 2.790 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.234 1.734 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.032 2.580 -1.205 1.00 0.00 H new ATOM 1231 N GLU A 78 3.299 3.783 -6.379 1.00 0.00 N ATOM 1232 CA GLU A 78 4.474 3.481 -7.187 1.00 0.00 C ATOM 1233 C GLU A 78 5.022 4.733 -7.871 1.00 0.00 C ATOM 1234 O GLU A 78 6.215 5.024 -7.786 1.00 0.00 O ATOM 1235 CB GLU A 78 4.130 2.422 -8.237 1.00 0.00 C ATOM 1236 CG GLU A 78 5.305 2.033 -9.121 1.00 0.00 C ATOM 1237 CD GLU A 78 4.904 1.094 -10.241 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.946 -0.136 -10.029 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.550 1.589 -11.332 1.00 0.00 O ATOM 0 H GLU A 78 2.464 3.259 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 78 5.247 3.097 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.756 1.531 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.322 2.796 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.748 2.933 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.073 1.558 -8.511 1.00 0.00 H new ATOM 1246 N GLU A 79 4.145 5.471 -8.545 1.00 0.00 N ATOM 1247 CA GLU A 79 4.544 6.685 -9.255 1.00 0.00 C ATOM 1248 C GLU A 79 5.189 7.700 -8.314 1.00 0.00 C ATOM 1249 O GLU A 79 6.210 8.304 -8.646 1.00 0.00 O ATOM 1250 CB GLU A 79 3.335 7.320 -9.944 1.00 0.00 C ATOM 1251 CG GLU A 79 2.691 6.426 -10.990 1.00 0.00 C ATOM 1252 CD GLU A 79 1.563 7.118 -11.730 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.415 7.069 -11.242 1.00 0.00 O ATOM 1254 OE2 GLU A 79 1.829 7.709 -12.798 1.00 0.00 O ATOM 0 H GLU A 79 3.152 5.250 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 79 5.281 6.398 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.591 7.577 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.645 8.252 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.448 6.106 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.307 5.527 -10.508 1.00 0.00 H new ATOM 1261 N GLN A 80 4.594 7.875 -7.140 1.00 0.00 N ATOM 1262 CA GLN A 80 5.103 8.827 -6.158 1.00 0.00 C ATOM 1263 C GLN A 80 6.546 8.510 -5.774 1.00 0.00 C ATOM 1264 O GLN A 80 7.370 9.413 -5.631 1.00 0.00 O ATOM 1265 CB GLN A 80 4.220 8.819 -4.910 1.00 0.00 C ATOM 1266 CG GLN A 80 2.816 9.355 -5.147 1.00 0.00 C ATOM 1267 CD GLN A 80 2.777 10.865 -5.288 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.736 11.484 -5.748 1.00 0.00 O ATOM 1269 NE2 GLN A 80 1.664 11.467 -4.886 1.00 0.00 N ATOM 0 H GLN A 80 3.758 7.370 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 80 5.081 9.818 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.150 7.799 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.700 9.414 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.406 8.900 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.174 9.056 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.893 10.915 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.580 12.481 -4.953 1.00 0.00 H new ATOM 1278 N LEU A 81 6.844 7.228 -5.611 1.00 0.00 N ATOM 1279 CA LEU A 81 8.188 6.798 -5.237 1.00 0.00 C ATOM 1280 C LEU A 81 9.142 6.833 -6.429 1.00 0.00 C ATOM 1281 O LEU A 81 10.340 7.071 -6.267 1.00 0.00 O ATOM 1282 CB LEU A 81 8.143 5.389 -4.643 1.00 0.00 C ATOM 1283 CG LEU A 81 7.306 5.250 -3.369 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.170 3.788 -2.977 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.923 6.052 -2.232 1.00 0.00 C ATOM 0 H LEU A 81 6.175 6.467 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 81 8.564 7.495 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.748 4.706 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.162 5.070 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 81 6.311 5.647 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.572 3.709 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.682 3.239 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.159 3.366 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.313 5.940 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.931 5.686 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.968 7.105 -2.512 1.00 0.00 H new ATOM 1297 N LEU A 82 8.608 6.599 -7.625 1.00 0.00 N ATOM 1298 CA LEU A 82 9.424 6.595 -8.839 1.00 0.00 C ATOM 1299 C LEU A 82 9.944 7.992 -9.168 1.00 0.00 C ATOM 1300 O LEU A 82 10.969 8.138 -9.835 1.00 0.00 O ATOM 1301 CB LEU A 82 8.622 6.051 -10.025 1.00 0.00 C ATOM 1302 CG LEU A 82 8.347 4.545 -9.996 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.430 4.151 -11.145 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.649 3.759 -10.062 1.00 0.00 C ATOM 0 H LEU A 82 7.618 6.410 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 82 10.279 5.945 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.668 6.577 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.159 6.288 -10.944 1.00 0.00 H new ATOM 0 HG LEU A 82 7.850 4.305 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.244 3.078 -11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.485 4.686 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.904 4.407 -12.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.431 2.691 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.175 4.003 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.275 4.019 -9.208 1.00 0.00 H new ATOM 1316 N GLN A 83 9.234 9.017 -8.704 1.00 0.00 N ATOM 1317 CA GLN A 83 9.634 10.399 -8.961 1.00 0.00 C ATOM 1318 C GLN A 83 11.018 10.696 -8.392 1.00 0.00 C ATOM 1319 O GLN A 83 11.683 11.639 -8.822 1.00 0.00 O ATOM 1320 CB GLN A 83 8.611 11.370 -8.372 1.00 0.00 C ATOM 1321 CG GLN A 83 7.265 11.329 -9.073 1.00 0.00 C ATOM 1322 CD GLN A 83 6.300 12.369 -8.545 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.546 12.113 -7.607 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.317 13.552 -9.148 1.00 0.00 N ATOM 0 H GLN A 83 8.383 8.919 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 83 9.675 10.533 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.469 11.140 -7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.010 12.383 -8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.412 11.485 -10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.827 10.338 -8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.959 13.721 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.688 14.292 -8.837 1.00 0.00 H new ATOM 1333 N ARG A 84 11.448 9.891 -7.426 1.00 0.00 N ATOM 1334 CA ARG A 84 12.757 10.079 -6.807 1.00 0.00 C ATOM 1335 C ARG A 84 13.616 8.830 -6.957 1.00 0.00 C ATOM 1336 O ARG A 84 14.838 8.884 -6.818 1.00 0.00 O ATOM 1337 CB ARG A 84 12.604 10.426 -5.326 1.00 0.00 C ATOM 1338 CG ARG A 84 11.826 11.707 -5.077 1.00 0.00 C ATOM 1339 CD ARG A 84 11.788 12.052 -3.599 1.00 0.00 C ATOM 1340 NE ARG A 84 11.052 13.287 -3.342 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.039 13.904 -2.165 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.726 13.406 -1.146 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.344 15.022 -2.007 1.00 0.00 N ATOM 0 H ARG A 84 10.913 9.106 -7.056 1.00 0.00 H new ATOM 0 HA ARG A 84 13.252 10.905 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.102 9.602 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.594 10.520 -4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.283 12.526 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.809 11.596 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.325 11.233 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.807 12.153 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 84 10.519 13.699 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.265 12.548 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.715 13.881 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.818 15.410 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.336 15.494 -1.103 1.00 0.00 H new ATOM 1357 N ILE A 85 12.968 7.705 -7.240 1.00 0.00 N ATOM 1358 CA ILE A 85 13.674 6.441 -7.406 1.00 0.00 C ATOM 1359 C ILE A 85 13.173 5.691 -8.640 1.00 0.00 C ATOM 1360 O ILE A 85 12.247 4.885 -8.550 1.00 0.00 O ATOM 1361 CB ILE A 85 13.506 5.540 -6.165 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.729 6.350 -4.883 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.474 4.366 -6.233 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.393 5.591 -3.617 1.00 0.00 C ATOM 0 H ILE A 85 11.957 7.643 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 85 14.730 6.679 -7.533 1.00 0.00 H new ATOM 0 HB ILE A 85 12.489 5.149 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.771 6.666 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.123 7.255 -4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.346 3.737 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.272 3.780 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.497 4.740 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.576 6.228 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.343 5.298 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.018 4.700 -3.550 1.00 0.00 H new ATOM 1376 N PRO A 86 13.776 5.951 -9.816 1.00 0.00 N ATOM 1377 CA PRO A 86 13.379 5.292 -11.066 1.00 0.00 C ATOM 1378 C PRO A 86 13.789 3.825 -11.104 1.00 0.00 C ATOM 1379 O PRO A 86 13.512 3.118 -12.074 1.00 0.00 O ATOM 1380 CB PRO A 86 14.123 6.086 -12.141 1.00 0.00 C ATOM 1381 CG PRO A 86 15.311 6.654 -11.443 1.00 0.00 C ATOM 1382 CD PRO A 86 14.885 6.904 -10.022 1.00 0.00 C ATOM 0 HA PRO A 86 12.297 5.286 -11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 86 14.421 5.445 -12.971 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.495 6.874 -12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.152 5.962 -11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.637 7.578 -11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.701 6.726 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.560 7.934 -9.877 1.00 0.00 H new ATOM 1390 N GLU A 87 14.451 3.373 -10.044 1.00 0.00 N ATOM 1391 CA GLU A 87 14.899 1.988 -9.951 1.00 0.00 C ATOM 1392 C GLU A 87 14.163 1.258 -8.832 1.00 0.00 C ATOM 1393 O GLU A 87 14.583 0.188 -8.393 1.00 0.00 O ATOM 1394 CB GLU A 87 16.409 1.931 -9.710 1.00 0.00 C ATOM 1395 CG GLU A 87 16.846 2.599 -8.417 1.00 0.00 C ATOM 1396 CD GLU A 87 18.348 2.547 -8.214 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.046 3.457 -8.708 1.00 0.00 O ATOM 1398 OE2 GLU A 87 18.827 1.597 -7.560 1.00 0.00 O ATOM 0 H GLU A 87 14.690 3.947 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 87 14.674 1.493 -10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.727 0.888 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.920 2.408 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 87 16.519 3.639 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.352 2.113 -7.576 1.00 0.00 H new ATOM 1405 N PHE A 88 13.056 1.844 -8.383 1.00 0.00 N ATOM 1406 CA PHE A 88 12.258 1.257 -7.312 1.00 0.00 C ATOM 1407 C PHE A 88 11.409 0.102 -7.830 1.00 0.00 C ATOM 1408 O PHE A 88 10.861 0.163 -8.930 1.00 0.00 O ATOM 1409 CB PHE A 88 11.359 2.322 -6.678 1.00 0.00 C ATOM 1410 CG PHE A 88 10.564 1.820 -5.506 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.104 1.837 -4.232 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.279 1.333 -5.681 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.377 1.377 -3.151 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.547 0.871 -4.603 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.097 0.894 -3.337 1.00 0.00 C ATOM 0 H PHE A 88 12.692 2.725 -8.745 1.00 0.00 H new ATOM 0 HA PHE A 88 12.941 0.868 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.976 3.161 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.673 2.704 -7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.105 2.214 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.845 1.314 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.809 1.395 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.546 0.493 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.527 0.535 -2.493 1.00 0.00 H new ATOM 1425 N ASN A 89 11.305 -0.952 -7.025 1.00 0.00 N ATOM 1426 CA ASN A 89 10.518 -2.122 -7.390 1.00 0.00 C ATOM 1427 C ASN A 89 9.446 -2.387 -6.336 1.00 0.00 C ATOM 1428 O ASN A 89 9.734 -2.914 -5.262 1.00 0.00 O ATOM 1429 CB ASN A 89 11.424 -3.346 -7.547 1.00 0.00 C ATOM 1430 CG ASN A 89 10.760 -4.462 -8.329 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.143 -5.358 -7.755 1.00 0.00 O ATOM 1432 ND2 ASN A 89 10.885 -4.414 -9.650 1.00 0.00 N ATOM 0 H ASN A 89 11.758 -1.018 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 89 10.029 -1.929 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.344 -3.051 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.705 -3.715 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.460 -5.138 -10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.406 -3.653 -10.086 1.00 0.00 H new ATOM 1439 N MET A 90 8.211 -2.010 -6.653 1.00 0.00 N ATOM 1440 CA MET A 90 7.090 -2.187 -5.735 1.00 0.00 C ATOM 1441 C MET A 90 6.914 -3.651 -5.338 1.00 0.00 C ATOM 1442 O MET A 90 6.465 -3.952 -4.232 1.00 0.00 O ATOM 1443 CB MET A 90 5.802 -1.665 -6.375 1.00 0.00 C ATOM 1444 CG MET A 90 4.977 -0.782 -5.453 1.00 0.00 C ATOM 1445 SD MET A 90 4.458 -1.633 -3.951 1.00 0.00 S ATOM 1446 CE MET A 90 3.582 -0.318 -3.105 1.00 0.00 C ATOM 0 H MET A 90 7.960 -1.578 -7.542 1.00 0.00 H new ATOM 0 HA MET A 90 7.307 -1.617 -4.831 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.055 -1.101 -7.273 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.194 -2.513 -6.692 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.560 0.099 -5.183 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.096 -0.429 -5.988 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.199 -0.689 -2.154 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.262 0.514 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.751 0.022 -3.723 1.00 0.00 H new ATOM 1456 N ALA A 91 7.271 -4.556 -6.243 1.00 0.00 N ATOM 1457 CA ALA A 91 7.138 -5.986 -5.984 1.00 0.00 C ATOM 1458 C ALA A 91 8.144 -6.465 -4.941 1.00 0.00 C ATOM 1459 O ALA A 91 7.775 -7.108 -3.958 1.00 0.00 O ATOM 1460 CB ALA A 91 7.306 -6.773 -7.275 1.00 0.00 C ATOM 0 H ALA A 91 7.654 -4.326 -7.160 1.00 0.00 H new ATOM 0 HA ALA A 91 6.138 -6.159 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.205 -7.838 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.541 -6.468 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.293 -6.577 -7.695 1.00 0.00 H new ATOM 1466 N ALA A 92 9.415 -6.148 -5.161 1.00 0.00 N ATOM 1467 CA ALA A 92 10.478 -6.556 -4.247 1.00 0.00 C ATOM 1468 C ALA A 92 10.382 -5.823 -2.913 1.00 0.00 C ATOM 1469 O ALA A 92 10.842 -6.324 -1.887 1.00 0.00 O ATOM 1470 CB ALA A 92 11.838 -6.317 -4.883 1.00 0.00 C ATOM 0 H ALA A 92 9.736 -5.609 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 92 10.358 -7.621 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.622 -6.625 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.917 -6.897 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.952 -5.257 -5.111 1.00 0.00 H new ATOM 1476 N PHE A 93 9.784 -4.637 -2.932 1.00 0.00 N ATOM 1477 CA PHE A 93 9.638 -3.841 -1.720 1.00 0.00 C ATOM 1478 C PHE A 93 8.614 -4.461 -0.775 1.00 0.00 C ATOM 1479 O PHE A 93 8.893 -4.662 0.405 1.00 0.00 O ATOM 1480 CB PHE A 93 9.228 -2.408 -2.065 1.00 0.00 C ATOM 1481 CG PHE A 93 9.028 -1.537 -0.855 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.097 -1.213 -0.035 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.772 -1.045 -0.541 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.915 -0.415 1.079 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.584 -0.246 0.571 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.657 0.069 1.382 1.00 0.00 C ATOM 0 H PHE A 93 9.394 -4.207 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 93 10.604 -3.823 -1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.992 -1.963 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.305 -2.431 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.083 -1.588 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.930 -1.288 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.755 -0.170 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.600 0.132 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.513 0.693 2.252 1.00 0.00 H new ATOM 1496 N THR A 94 7.431 -4.762 -1.302 1.00 0.00 N ATOM 1497 CA THR A 94 6.365 -5.357 -0.501 1.00 0.00 C ATOM 1498 C THR A 94 6.789 -6.701 0.083 1.00 0.00 C ATOM 1499 O THR A 94 6.567 -6.971 1.263 1.00 0.00 O ATOM 1500 CB THR A 94 5.080 -5.555 -1.326 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.363 -6.332 -2.496 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.484 -4.216 -1.732 1.00 0.00 C ATOM 0 H THR A 94 7.186 -4.604 -2.279 1.00 0.00 H new ATOM 0 HA THR A 94 6.164 -4.659 0.312 1.00 0.00 H new ATOM 0 HB THR A 94 4.356 -6.083 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.717 -5.748 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.577 -4.383 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.241 -3.640 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.205 -3.664 -2.335 1.00 0.00 H new ATOM 1510 N THR A 95 7.401 -7.540 -0.749 1.00 0.00 N ATOM 1511 CA THR A 95 7.851 -8.858 -0.313 1.00 0.00 C ATOM 1512 C THR A 95 8.818 -8.748 0.863 1.00 0.00 C ATOM 1513 O THR A 95 8.678 -9.453 1.862 1.00 0.00 O ATOM 1514 CB THR A 95 8.540 -9.626 -1.457 1.00 0.00 C ATOM 1515 OG1 THR A 95 7.710 -9.615 -2.624 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.824 -11.064 -1.048 1.00 0.00 C ATOM 0 H THR A 95 7.596 -7.330 -1.728 1.00 0.00 H new ATOM 0 HA THR A 95 6.962 -9.407 -0.001 1.00 0.00 H new ATOM 0 HB THR A 95 9.486 -9.132 -1.678 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.796 -8.751 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.311 -11.587 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.478 -11.072 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.887 -11.565 -0.803 1.00 0.00 H new ATOM 1524 N THR A 96 9.800 -7.862 0.731 1.00 0.00 N ATOM 1525 CA THR A 96 10.793 -7.655 1.778 1.00 0.00 C ATOM 1526 C THR A 96 10.182 -6.955 2.989 1.00 0.00 C ATOM 1527 O THR A 96 10.619 -7.155 4.122 1.00 0.00 O ATOM 1528 CB THR A 96 11.984 -6.824 1.261 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.547 -7.445 0.099 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.056 -6.679 2.332 1.00 0.00 C ATOM 0 H THR A 96 9.929 -7.275 -0.093 1.00 0.00 H new ATOM 0 HA THR A 96 11.149 -8.641 2.078 1.00 0.00 H new ATOM 0 HB THR A 96 11.617 -5.831 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.045 -7.167 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.884 -6.089 1.940 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.634 -6.179 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.418 -7.666 2.620 1.00 0.00 H new ATOM 1538 N LEU A 97 9.165 -6.135 2.739 1.00 0.00 N ATOM 1539 CA LEU A 97 8.492 -5.399 3.804 1.00 0.00 C ATOM 1540 C LEU A 97 7.835 -6.356 4.796 1.00 0.00 C ATOM 1541 O LEU A 97 7.827 -6.103 6.000 1.00 0.00 O ATOM 1542 CB LEU A 97 7.441 -4.453 3.209 1.00 0.00 C ATOM 1543 CG LEU A 97 7.235 -3.135 3.963 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.267 -2.239 3.207 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.725 -3.389 5.374 1.00 0.00 C ATOM 0 H LEU A 97 8.789 -5.964 1.807 1.00 0.00 H new ATOM 0 HA LEU A 97 9.239 -4.812 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.725 -4.223 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.487 -4.979 3.166 1.00 0.00 H new ATOM 0 HG LEU A 97 8.199 -2.631 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.131 -1.307 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.669 -2.023 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.306 -2.744 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.587 -2.438 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.773 -3.917 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.449 -3.994 5.919 1.00 0.00 H new ATOM 1557 N GLN A 98 7.291 -7.458 4.281 1.00 0.00 N ATOM 1558 CA GLN A 98 6.628 -8.451 5.120 1.00 0.00 C ATOM 1559 C GLN A 98 7.520 -8.862 6.288 1.00 0.00 C ATOM 1560 O GLN A 98 7.037 -9.120 7.390 1.00 0.00 O ATOM 1561 CB GLN A 98 6.250 -9.685 4.295 1.00 0.00 C ATOM 1562 CG GLN A 98 5.325 -9.380 3.127 1.00 0.00 C ATOM 1563 CD GLN A 98 4.963 -10.619 2.331 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.655 -10.988 1.382 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.870 -11.269 2.714 1.00 0.00 N ATOM 0 H GLN A 98 7.297 -7.684 3.286 1.00 0.00 H new ATOM 0 HA GLN A 98 5.720 -7.999 5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.160 -10.149 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.769 -10.414 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.414 -8.914 3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.805 -8.656 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.325 -10.928 3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.575 -12.109 2.216 1.00 0.00 H new ATOM 1574 N HIS A 99 8.823 -8.919 6.039 1.00 0.00 N ATOM 1575 CA HIS A 99 9.782 -9.284 7.075 1.00 0.00 C ATOM 1576 C HIS A 99 10.113 -8.071 7.937 1.00 0.00 C ATOM 1577 O HIS A 99 10.211 -8.170 9.162 1.00 0.00 O ATOM 1578 CB HIS A 99 11.057 -9.845 6.443 1.00 0.00 C ATOM 1579 CG HIS A 99 10.810 -11.001 5.522 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.923 -12.318 5.917 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.454 -11.032 4.215 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.646 -13.108 4.895 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.359 -12.352 3.851 1.00 0.00 N ATOM 0 H HIS A 99 9.239 -8.717 5.130 1.00 0.00 H new ATOM 0 HA HIS A 99 9.337 -10.053 7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.558 -9.051 5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.737 -10.160 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.278 -10.178 3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.653 -14.188 4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.107 -12.694 2.924 1.00 0.00 H new ATOM 1592 N HIS A 100 10.267 -6.922 7.287 1.00 0.00 N ATOM 1593 CA HIS A 100 10.583 -5.682 7.986 1.00 0.00 C ATOM 1594 C HIS A 100 9.387 -5.200 8.798 1.00 0.00 C ATOM 1595 O HIS A 100 9.466 -4.189 9.494 1.00 0.00 O ATOM 1596 CB HIS A 100 11.011 -4.603 6.990 1.00 0.00 C ATOM 1597 CG HIS A 100 12.365 -4.837 6.397 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.894 -5.929 5.795 1.00 0.00 N flip ATOM 1599 CD2 HIS A 100 13.356 -3.877 6.382 1.00 0.00 C flip ATOM 1600 CE1 HIS A 100 14.179 -5.611 5.431 1.00 0.00 C flip ATOM 1601 NE2 HIS A 100 14.433 -4.368 5.795 1.00 0.00 N flip ATOM 0 H HIS A 100 10.178 -6.824 6.276 1.00 0.00 H new ATOM 0 HA HIS A 100 11.409 -5.878 8.670 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.276 -4.550 6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.006 -3.635 7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.265 -2.880 6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.870 -6.271 4.928 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.311 -3.871 5.648 1.00 0.00 H new ATOM 1610 N LYS A 101 8.280 -5.928 8.698 1.00 0.00 N ATOM 1611 CA LYS A 101 7.069 -5.579 9.427 1.00 0.00 C ATOM 1612 C LYS A 101 7.288 -5.725 10.928 1.00 0.00 C ATOM 1613 O LYS A 101 6.541 -5.171 11.734 1.00 0.00 O ATOM 1614 CB LYS A 101 5.904 -6.464 8.977 1.00 0.00 C ATOM 1615 CG LYS A 101 4.569 -6.078 9.594 1.00 0.00 C ATOM 1616 CD LYS A 101 3.442 -6.967 9.093 1.00 0.00 C ATOM 1617 CE LYS A 101 3.599 -8.399 9.581 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.515 -9.284 9.070 1.00 0.00 N ATOM 0 H LYS A 101 8.198 -6.763 8.119 1.00 0.00 H new ATOM 0 HA LYS A 101 6.825 -4.539 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.820 -6.415 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.126 -7.500 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.635 -6.150 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.345 -5.038 9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.486 -6.569 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.424 -6.953 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.566 -8.787 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.595 -8.413 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.659 -10.251 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.594 -8.929 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.534 -9.291 8.030 1.00 0.00 H new ATOM 1632 N ASP A 102 8.324 -6.475 11.297 1.00 0.00 N ATOM 1633 CA ASP A 102 8.646 -6.692 12.702 1.00 0.00 C ATOM 1634 C ASP A 102 9.330 -5.462 13.291 1.00 0.00 C ATOM 1635 O ASP A 102 9.472 -5.338 14.509 1.00 0.00 O ATOM 1636 CB ASP A 102 9.549 -7.917 12.855 1.00 0.00 C ATOM 1637 CG ASP A 102 9.748 -8.314 14.306 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.671 -7.773 14.948 1.00 0.00 O ATOM 1639 OD2 ASP A 102 8.978 -9.167 14.799 1.00 0.00 O ATOM 0 H ASP A 102 8.953 -6.941 10.643 1.00 0.00 H new ATOM 0 HA ASP A 102 7.717 -6.867 13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.115 -8.755 12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.518 -7.709 12.402 1.00 0.00 H new ATOM 1644 N GLU A 103 9.752 -4.554 12.415 1.00 0.00 N ATOM 1645 CA GLU A 103 10.423 -3.329 12.839 1.00 0.00 C ATOM 1646 C GLU A 103 9.546 -2.109 12.573 1.00 0.00 C ATOM 1647 O GLU A 103 9.161 -1.396 13.500 1.00 0.00 O ATOM 1648 CB GLU A 103 11.761 -3.180 12.112 1.00 0.00 C ATOM 1649 CG GLU A 103 12.721 -4.335 12.360 1.00 0.00 C ATOM 1650 CD GLU A 103 14.045 -4.157 11.641 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.129 -4.526 10.451 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.998 -3.649 12.269 1.00 0.00 O ATOM 0 H GLU A 103 9.641 -4.644 11.405 1.00 0.00 H new ATOM 0 HA GLU A 103 10.606 -3.395 13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.576 -3.096 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.235 -2.250 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.903 -4.428 13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.256 -5.265 12.033 1.00 0.00 H new ATOM 1659 N VAL A 104 9.232 -1.877 11.302 1.00 0.00 N ATOM 1660 CA VAL A 104 8.400 -0.744 10.912 1.00 0.00 C ATOM 1661 C VAL A 104 7.023 -0.831 11.563 1.00 0.00 C ATOM 1662 O VAL A 104 6.587 -1.910 11.966 1.00 0.00 O ATOM 1663 CB VAL A 104 8.233 -0.670 9.379 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.338 -1.794 8.876 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.680 0.687 8.962 1.00 0.00 C ATOM 0 H VAL A 104 9.542 -2.459 10.524 1.00 0.00 H new ATOM 0 HA VAL A 104 8.906 0.158 11.255 1.00 0.00 H new ATOM 0 HB VAL A 104 9.217 -0.792 8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.235 -1.721 7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.782 -2.756 9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.355 -1.712 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.570 0.718 7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.708 0.843 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.366 1.473 9.280 1.00 0.00 H new ATOM 1675 N ALA A 105 6.347 0.307 11.664 1.00 0.00 N ATOM 1676 CA ALA A 105 5.020 0.356 12.265 1.00 0.00 C ATOM 1677 C ALA A 105 4.058 -0.586 11.552 1.00 0.00 C ATOM 1678 O ALA A 105 3.638 -0.325 10.424 1.00 0.00 O ATOM 1679 CB ALA A 105 4.482 1.778 12.244 1.00 0.00 C ATOM 0 H ALA A 105 6.696 1.208 11.338 1.00 0.00 H new ATOM 0 HA ALA A 105 5.107 0.028 13.301 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.490 1.799 12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.151 2.429 12.807 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.418 2.128 11.214 1.00 0.00 H new ATOM 1685 N GLY A 106 3.718 -1.686 12.217 1.00 0.00 N ATOM 1686 CA GLY A 106 2.806 -2.652 11.636 1.00 0.00 C ATOM 1687 C GLY A 106 1.441 -2.057 11.362 1.00 0.00 C ATOM 1688 O GLY A 106 0.749 -2.471 10.432 1.00 0.00 O ATOM 0 H GLY A 106 4.059 -1.925 13.148 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.228 -3.033 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.701 -3.502 12.311 1.00 0.00 H new ATOM 1692 N ASP A 107 1.053 -1.083 12.180 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.237 -0.421 12.029 1.00 0.00 C ATOM 1694 C ASP A 107 -0.312 0.349 10.714 1.00 0.00 C ATOM 1695 O ASP A 107 -1.338 0.327 10.033 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.484 0.530 13.202 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.801 1.271 13.076 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.831 0.734 13.536 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.804 2.388 12.517 1.00 0.00 O ATOM 0 H ASP A 107 1.616 -0.735 12.956 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.009 -1.190 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.476 -0.036 14.133 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.332 1.251 13.260 1.00 0.00 H new ATOM 1704 N ILE A 108 0.776 1.031 10.361 1.00 0.00 N ATOM 1705 CA ILE A 108 0.817 1.810 9.128 1.00 0.00 C ATOM 1706 C ILE A 108 0.735 0.905 7.904 1.00 0.00 C ATOM 1707 O ILE A 108 -0.082 1.130 7.009 1.00 0.00 O ATOM 1708 CB ILE A 108 2.097 2.667 9.044 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.159 3.639 10.226 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.143 3.428 7.725 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.451 4.425 10.297 1.00 0.00 C ATOM 0 H ILE A 108 1.636 1.059 10.909 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.049 2.472 9.142 1.00 0.00 H new ATOM 0 HB ILE A 108 2.963 2.007 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.323 4.335 10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.032 3.079 11.153 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.052 4.027 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.136 2.720 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.274 4.082 7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.424 5.093 11.158 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.290 3.737 10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.570 5.012 9.386 1.00 0.00 H new ATOM 1723 N PHE A 109 1.572 -0.128 7.870 1.00 0.00 N ATOM 1724 CA PHE A 109 1.572 -1.062 6.751 1.00 0.00 C ATOM 1725 C PHE A 109 0.268 -1.849 6.709 1.00 0.00 C ATOM 1726 O PHE A 109 -0.175 -2.262 5.640 1.00 0.00 O ATOM 1727 CB PHE A 109 2.761 -2.024 6.824 1.00 0.00 C ATOM 1728 CG PHE A 109 2.770 -3.037 5.709 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.672 -2.635 4.383 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.866 -4.391 5.987 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.670 -3.564 3.357 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.866 -5.325 4.966 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.767 -4.911 3.651 1.00 0.00 C ATOM 0 H PHE A 109 2.254 -0.338 8.599 1.00 0.00 H new ATOM 0 HA PHE A 109 1.664 -0.477 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.687 -1.450 6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.741 -2.546 7.781 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.596 -1.583 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.942 -4.721 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.593 -3.238 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.943 -6.377 5.197 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.765 -5.640 2.854 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.340 -2.047 7.878 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.592 -2.794 7.976 1.00 0.00 C ATOM 1745 C ASP A 110 -2.600 -2.300 6.944 1.00 0.00 C ATOM 1746 O ASP A 110 -3.463 -3.056 6.497 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.181 -2.663 9.381 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.473 -3.441 9.542 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.549 -2.863 9.279 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.409 -4.625 9.930 1.00 0.00 O ATOM 0 H ASP A 110 0.014 -1.701 8.770 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.376 -3.844 7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.454 -3.017 10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.364 -1.611 9.598 1.00 0.00 H new ATOM 1755 N MET A 111 -2.486 -1.030 6.571 1.00 0.00 N ATOM 1756 CA MET A 111 -3.375 -0.450 5.574 1.00 0.00 C ATOM 1757 C MET A 111 -3.029 -0.997 4.195 1.00 0.00 C ATOM 1758 O MET A 111 -3.891 -1.506 3.476 1.00 0.00 O ATOM 1759 CB MET A 111 -3.255 1.076 5.576 1.00 0.00 C ATOM 1760 CG MET A 111 -4.112 1.756 4.521 1.00 0.00 C ATOM 1761 SD MET A 111 -3.786 3.525 4.396 1.00 0.00 S ATOM 1762 CE MET A 111 -2.084 3.518 3.834 1.00 0.00 C ATOM 0 H MET A 111 -1.789 -0.385 6.943 1.00 0.00 H new ATOM 0 HA MET A 111 -4.402 -0.719 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.537 1.453 6.559 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.212 1.350 5.417 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.930 1.288 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.165 1.600 4.758 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.879 4.436 3.283 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.417 3.454 4.694 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.919 2.659 3.183 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.752 -0.895 3.844 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.259 -1.377 2.560 1.00 0.00 C ATOM 1774 C LEU A 112 -1.379 -2.894 2.471 1.00 0.00 C ATOM 1775 O LEU A 112 -1.432 -3.460 1.383 1.00 0.00 O ATOM 1776 CB LEU A 112 0.198 -0.953 2.363 1.00 0.00 C ATOM 1777 CG LEU A 112 0.435 0.558 2.320 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.922 0.863 2.264 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.282 1.175 1.128 1.00 0.00 C ATOM 0 H LEU A 112 -1.034 -0.479 4.437 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.868 -0.936 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.795 -1.376 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.564 -1.389 1.434 1.00 0.00 H new ATOM 0 HG LEU A 112 0.029 0.997 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.071 1.942 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.411 0.454 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.352 0.412 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.103 2.250 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.095 0.731 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.352 0.987 1.210 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.427 -3.542 3.630 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.528 -4.995 3.704 1.00 0.00 C ATOM 1793 C LEU A 113 -2.663 -5.514 2.826 1.00 0.00 C ATOM 1794 O LEU A 113 -2.624 -6.651 2.354 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.745 -5.433 5.153 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.768 -6.945 5.381 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.440 -7.570 4.980 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.086 -7.256 6.836 1.00 0.00 C ATOM 0 H LEU A 113 -1.397 -3.079 4.538 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.593 -5.418 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.956 -5.001 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.688 -5.015 5.505 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.550 -7.375 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.478 -8.646 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.251 -7.376 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.362 -7.136 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.099 -8.336 6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.325 -6.812 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.062 -6.843 7.091 1.00 0.00 H new ATOM 1810 N THR A 114 -3.675 -4.676 2.618 1.00 0.00 N ATOM 1811 CA THR A 114 -4.821 -5.046 1.793 1.00 0.00 C ATOM 1812 C THR A 114 -4.399 -5.423 0.370 1.00 0.00 C ATOM 1813 O THR A 114 -5.231 -5.826 -0.444 1.00 0.00 O ATOM 1814 CB THR A 114 -5.849 -3.900 1.721 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.241 -2.730 1.159 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.398 -3.577 3.102 1.00 0.00 C ATOM 0 H THR A 114 -3.725 -3.736 3.010 1.00 0.00 H new ATOM 0 HA THR A 114 -5.276 -5.915 2.268 1.00 0.00 H new ATOM 0 HB THR A 114 -6.674 -4.222 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.760 -2.243 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.121 -2.765 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.886 -4.460 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.581 -3.274 3.757 1.00 0.00 H new ATOM 1824 N PHE A 115 -3.106 -5.292 0.075 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.583 -5.627 -1.248 1.00 0.00 C ATOM 1826 C PHE A 115 -2.738 -7.118 -1.534 1.00 0.00 C ATOM 1827 O PHE A 115 -2.833 -7.530 -2.691 1.00 0.00 O ATOM 1828 CB PHE A 115 -1.103 -5.236 -1.362 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.857 -3.765 -1.580 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.670 -3.026 -2.426 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.198 -3.124 -0.943 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.438 -1.680 -2.634 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.432 -1.777 -1.148 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.387 -1.055 -1.994 1.00 0.00 C ATOM 0 H PHE A 115 -2.403 -4.957 0.734 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.159 -5.064 -1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.588 -5.546 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.657 -5.792 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.495 -3.509 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.842 -3.684 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.079 -1.117 -3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.255 -1.289 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 115 -0.205 -0.003 -2.155 1.00 0.00 H new ATOM 1844 N THR A 116 -2.760 -7.922 -0.475 1.00 0.00 N ATOM 1845 CA THR A 116 -2.896 -9.368 -0.619 1.00 0.00 C ATOM 1846 C THR A 116 -4.006 -9.923 0.269 1.00 0.00 C ATOM 1847 O THR A 116 -4.771 -10.789 -0.154 1.00 0.00 O ATOM 1848 CB THR A 116 -1.577 -10.089 -0.285 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.153 -9.749 1.040 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.491 -9.714 -1.283 1.00 0.00 C ATOM 0 H THR A 116 -2.686 -7.598 0.489 1.00 0.00 H new ATOM 0 HA THR A 116 -3.154 -9.553 -1.662 1.00 0.00 H new ATOM 0 HB THR A 116 -1.750 -11.164 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.315 -10.213 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.432 -10.234 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.804 -10.001 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.322 -8.638 -1.249 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.093 -9.423 1.500 1.00 0.00 N ATOM 1859 CA ASP A 117 -5.117 -9.880 2.436 1.00 0.00 C ATOM 1860 C ASP A 117 -6.506 -9.445 1.980 1.00 0.00 C ATOM 1861 O ASP A 117 -7.006 -8.396 2.389 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.834 -9.348 3.842 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.621 -10.000 4.476 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.490 -9.709 4.032 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.800 -10.802 5.417 1.00 0.00 O ATOM 0 H ASP A 117 -3.470 -8.705 1.871 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.089 -10.969 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.680 -8.270 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.706 -9.518 4.474 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.123 -10.260 1.129 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.452 -9.963 0.607 1.00 0.00 C ATOM 1872 C PHE A 118 -9.472 -9.852 1.735 1.00 0.00 C ATOM 1873 O PHE A 118 -10.446 -9.105 1.630 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.884 -11.046 -0.386 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.159 -10.724 -1.114 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.135 -9.975 -2.279 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.379 -11.169 -0.632 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.305 -9.678 -2.952 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.553 -10.875 -1.301 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.515 -10.127 -2.462 1.00 0.00 C ATOM 0 H PHE A 118 -6.722 -11.133 0.786 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.406 -9.003 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.088 -11.197 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -9.009 -11.988 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.191 -9.619 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.414 -11.752 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.273 -9.095 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.498 -11.229 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.430 -9.894 -2.985 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.246 -10.598 2.810 1.00 0.00 N ATOM 1891 CA LEU A 119 -10.148 -10.580 3.955 1.00 0.00 C ATOM 1892 C LEU A 119 -10.156 -9.208 4.622 1.00 0.00 C ATOM 1893 O LEU A 119 -11.198 -8.735 5.075 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.742 -11.649 4.973 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.699 -13.083 4.436 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -9.265 -14.046 5.530 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -11.056 -13.489 3.876 1.00 0.00 C ATOM 0 H LEU A 119 -8.446 -11.223 2.913 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.153 -10.796 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.757 -11.397 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.439 -11.613 5.810 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.969 -13.125 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.239 -15.061 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.272 -13.770 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.972 -13.998 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.003 -14.511 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.807 -13.430 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.330 -12.817 3.063 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.988 -8.575 4.678 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.862 -7.257 5.292 1.00 0.00 C ATOM 1911 C ALA A 120 -9.408 -6.167 4.375 1.00 0.00 C ATOM 1912 O ALA A 120 -9.877 -5.130 4.840 1.00 0.00 O ATOM 1913 CB ALA A 120 -7.410 -6.976 5.648 1.00 0.00 C ATOM 0 H ALA A 120 -8.116 -8.953 4.306 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.455 -7.253 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.332 -5.990 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.055 -7.730 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.801 -7.006 4.744 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.344 -6.412 3.070 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.826 -5.454 2.081 1.00 0.00 C ATOM 1921 C PHE A 121 -11.338 -5.272 2.193 1.00 0.00 C ATOM 1922 O PHE A 121 -11.835 -4.154 2.367 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.453 -5.937 0.676 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.583 -4.891 -0.397 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.985 -3.648 -0.255 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.298 -5.156 -1.555 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.099 -2.691 -1.246 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.413 -4.204 -2.550 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.813 -2.969 -2.395 1.00 0.00 C ATOM 0 H PHE A 121 -8.961 -7.269 2.672 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.355 -4.489 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.425 -6.299 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.086 -6.786 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.424 -3.425 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.771 -6.119 -1.681 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.630 -1.726 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.971 -4.425 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.902 -2.223 -3.171 1.00 0.00 H new ATOM 1939 N LYS A 122 -12.065 -6.381 2.107 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.518 -6.350 2.204 1.00 0.00 C ATOM 1941 C LYS A 122 -13.946 -5.831 3.570 1.00 0.00 C ATOM 1942 O LYS A 122 -14.795 -4.946 3.674 1.00 0.00 O ATOM 1943 CB LYS A 122 -14.095 -7.746 1.966 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.613 -7.795 2.011 1.00 0.00 C ATOM 1945 CD LYS A 122 -16.128 -9.207 1.789 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.647 -9.253 1.782 1.00 0.00 C ATOM 1947 NZ LYS A 122 -18.222 -8.448 0.669 1.00 0.00 N ATOM 0 H LYS A 122 -11.671 -7.312 1.970 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.903 -5.677 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.757 -8.108 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.696 -8.427 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.962 -7.426 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -16.023 -7.132 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.747 -9.589 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.747 -9.861 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.978 -10.287 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -18.026 -8.880 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.252 -8.586 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.013 -7.441 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.803 -8.753 -0.233 1.00 0.00 H new ATOM 1961 N GLU A 123 -13.346 -6.390 4.614 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.652 -5.989 5.980 1.00 0.00 C ATOM 1963 C GLU A 123 -13.366 -4.503 6.183 1.00 0.00 C ATOM 1964 O GLU A 123 -14.026 -3.839 6.982 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.838 -6.823 6.971 1.00 0.00 C ATOM 1966 CG GLU A 123 -13.082 -6.455 8.427 1.00 0.00 C ATOM 1967 CD GLU A 123 -12.211 -7.249 9.381 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.079 -6.803 9.663 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.661 -8.317 9.847 1.00 0.00 O ATOM 0 H GLU A 123 -12.642 -7.125 4.539 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.713 -6.163 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -13.077 -7.877 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.778 -6.703 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.891 -5.391 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -14.131 -6.625 8.671 1.00 0.00 H new ATOM 1976 N MET A 124 -12.378 -3.988 5.455 1.00 0.00 N ATOM 1977 CA MET A 124 -12.012 -2.580 5.557 1.00 0.00 C ATOM 1978 C MET A 124 -13.178 -1.692 5.142 1.00 0.00 C ATOM 1979 O MET A 124 -13.527 -0.740 5.840 1.00 0.00 O ATOM 1980 CB MET A 124 -10.793 -2.274 4.682 1.00 0.00 C ATOM 1981 CG MET A 124 -10.363 -0.815 4.719 1.00 0.00 C ATOM 1982 SD MET A 124 -8.959 -0.474 3.639 1.00 0.00 S ATOM 1983 CE MET A 124 -9.656 -0.866 2.037 1.00 0.00 C ATOM 0 H MET A 124 -11.819 -4.523 4.791 1.00 0.00 H new ATOM 0 HA MET A 124 -11.761 -2.372 6.597 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.959 -2.897 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.018 -2.551 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.203 -0.186 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.103 -0.543 5.742 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.026 -0.445 1.253 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.709 -1.948 1.918 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.658 -0.444 1.963 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.780 -2.012 4.001 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.912 -1.240 3.498 1.00 0.00 C ATOM 1995 C PHE A 125 -16.125 -1.372 4.415 1.00 0.00 C ATOM 1996 O PHE A 125 -16.799 -0.384 4.708 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.277 -1.685 2.084 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.209 -1.388 1.074 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.919 -0.082 0.713 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.494 -2.417 0.485 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.933 0.191 -0.216 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.509 -2.150 -0.443 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.227 -0.844 -0.796 1.00 0.00 C ATOM 0 H PHE A 125 -13.505 -2.796 3.409 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.614 -0.192 3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.476 -2.757 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.200 -1.191 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.469 0.731 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.710 -3.440 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.715 1.213 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.958 -2.962 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.457 -0.634 -1.523 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.400 -2.593 4.863 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.539 -2.842 5.742 1.00 0.00 C ATOM 2015 C LEU A 126 -17.391 -2.073 7.051 1.00 0.00 C ATOM 2016 O LEU A 126 -18.379 -1.611 7.625 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.680 -4.339 6.030 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.790 -5.236 4.794 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.945 -6.691 5.206 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.954 -4.802 3.912 1.00 0.00 C ATOM 0 H LEU A 126 -15.853 -3.423 4.634 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.438 -2.495 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.820 -4.662 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -18.564 -4.491 6.649 1.00 0.00 H new ATOM 0 HG LEU A 126 -16.871 -5.136 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.022 -7.315 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.078 -6.998 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -18.847 -6.805 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -19.013 -5.454 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -19.883 -4.868 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.800 -3.773 3.586 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.153 -1.940 7.520 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.879 -1.221 8.758 1.00 0.00 C ATOM 2034 C ASP A 127 -16.132 0.271 8.573 1.00 0.00 C ATOM 2035 O ASP A 127 -16.732 0.921 9.428 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.435 -1.455 9.204 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.086 -0.686 10.463 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.628 0.470 10.344 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.272 -1.239 11.567 1.00 0.00 O ATOM 0 H ASP A 127 -15.325 -2.321 7.061 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.550 -1.599 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.279 -2.520 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.758 -1.160 8.402 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.669 0.804 7.446 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.847 2.218 7.136 1.00 0.00 C ATOM 2046 C TYR A 128 -17.327 2.585 7.118 1.00 0.00 C ATOM 2047 O TYR A 128 -17.740 3.570 7.729 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.209 2.547 5.783 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.505 3.948 5.290 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.742 5.029 5.710 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.550 4.187 4.405 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.012 6.309 5.262 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.825 5.464 3.953 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.055 6.521 4.385 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.326 7.794 3.937 1.00 0.00 O ATOM 0 H TYR A 128 -15.167 0.277 6.732 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.355 2.803 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.129 2.420 5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.561 1.829 5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.925 4.868 6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.157 3.361 4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.408 7.139 5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.640 5.632 3.264 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.091 7.769 3.325 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.118 1.781 6.413 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.554 2.015 6.306 1.00 0.00 C ATOM 2067 C ARG A 129 -20.217 2.005 7.680 1.00 0.00 C ATOM 2068 O ARG A 129 -21.023 2.881 7.994 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.194 0.953 5.408 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.700 1.104 5.266 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.278 0.048 4.338 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.735 0.119 4.272 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.485 -0.742 3.591 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.918 -1.734 2.917 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.805 -0.609 3.586 1.00 0.00 N ATOM 0 H ARG A 129 -17.787 0.960 5.906 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.705 2.999 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.737 1.002 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.973 -0.035 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.169 1.025 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.933 2.096 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.863 0.177 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.978 -0.942 4.683 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.204 0.871 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.903 -1.838 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.497 -2.393 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.243 0.153 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.382 -1.269 3.064 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.874 1.007 8.491 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.436 0.877 9.833 1.00 0.00 C ATOM 2091 C ALA A 130 -20.336 2.186 10.610 1.00 0.00 C ATOM 2092 O ALA A 130 -21.325 2.666 11.164 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.734 -0.241 10.590 1.00 0.00 C ATOM 0 H ALA A 130 -19.208 0.275 8.242 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.493 0.631 9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.161 -0.328 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.866 -1.181 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.671 -0.015 10.669 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.138 2.761 10.643 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.911 4.014 11.355 1.00 0.00 C ATOM 2101 C GLU A 131 -19.482 5.200 10.582 1.00 0.00 C ATOM 2102 O GLU A 131 -19.803 6.235 11.167 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.416 4.223 11.603 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.860 3.377 12.740 1.00 0.00 C ATOM 2105 CD GLU A 131 -17.038 1.889 12.507 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -18.120 1.362 12.840 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.094 1.251 11.996 1.00 0.00 O ATOM 0 H GLU A 131 -18.310 2.380 10.185 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.426 3.951 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.869 3.992 10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.237 5.275 11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.800 3.596 12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.355 3.656 13.670 1.00 0.00 H new ATOM 2114 N LYS A 132 -19.608 5.042 9.269 1.00 0.00 N ATOM 2115 CA LYS A 132 -20.138 6.105 8.420 1.00 0.00 C ATOM 2116 C LYS A 132 -21.629 6.315 8.684 1.00 0.00 C ATOM 2117 O LYS A 132 -22.144 7.421 8.526 1.00 0.00 O ATOM 2118 CB LYS A 132 -19.868 5.784 6.939 1.00 0.00 C ATOM 2119 CG LYS A 132 -21.103 5.445 6.115 1.00 0.00 C ATOM 2120 CD LYS A 132 -21.785 6.698 5.591 1.00 0.00 C ATOM 2121 CE LYS A 132 -22.602 6.406 4.342 1.00 0.00 C ATOM 2122 NZ LYS A 132 -23.606 5.332 4.575 1.00 0.00 N ATOM 0 H LYS A 132 -19.351 4.191 8.769 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.628 7.037 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -19.370 6.640 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -19.174 4.945 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -20.819 4.807 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.804 4.876 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -22.434 7.111 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -21.034 7.456 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -23.110 7.315 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -21.935 6.110 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -24.262 5.290 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -23.120 4.418 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -24.138 5.537 5.445 1.00 0.00 H new ATOM 2136 N GLU A 133 -22.314 5.250 9.091 1.00 0.00 N ATOM 2137 CA GLU A 133 -23.743 5.326 9.378 1.00 0.00 C ATOM 2138 C GLU A 133 -24.001 6.095 10.671 1.00 0.00 C ATOM 2139 O GLU A 133 -25.137 6.466 10.968 1.00 0.00 O ATOM 2140 CB GLU A 133 -24.345 3.923 9.477 1.00 0.00 C ATOM 2141 CG GLU A 133 -24.326 3.155 8.166 1.00 0.00 C ATOM 2142 CD GLU A 133 -24.965 1.785 8.284 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.195 1.685 8.094 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -24.235 0.811 8.566 1.00 0.00 O ATOM 0 H GLU A 133 -21.904 4.326 9.229 1.00 0.00 H new ATOM 0 HA GLU A 133 -24.221 5.860 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -23.797 3.355 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -25.375 4.003 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -24.850 3.732 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -23.295 3.043 7.829 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.939 6.334 11.435 1.00 0.00 N ATOM 2152 CA GLY A 134 -23.071 7.058 12.685 1.00 0.00 C ATOM 2153 C GLY A 134 -21.942 6.759 13.651 1.00 0.00 C ATOM 2154 O GLY A 134 -21.092 7.612 13.908 1.00 0.00 O ATOM 0 H GLY A 134 -21.989 6.039 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -23.096 8.128 12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -24.022 6.801 13.152 1.00 0.00 H new ATOM 2158 N ARG A 135 -21.934 5.543 14.189 1.00 0.00 N ATOM 2159 CA ARG A 135 -20.901 5.129 15.131 1.00 0.00 C ATOM 2160 C ARG A 135 -20.757 3.611 15.145 1.00 0.00 C ATOM 2161 O ARG A 135 -20.096 3.049 16.019 1.00 0.00 O ATOM 2162 CB ARG A 135 -21.218 5.637 16.542 1.00 0.00 C ATOM 2163 CG ARG A 135 -22.469 5.025 17.159 1.00 0.00 C ATOM 2164 CD ARG A 135 -23.738 5.594 16.544 1.00 0.00 C ATOM 2165 NE ARG A 135 -24.940 5.062 17.179 1.00 0.00 N ATOM 2166 CZ ARG A 135 -26.171 5.471 16.886 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -26.360 6.413 15.971 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -27.213 4.935 17.507 1.00 0.00 N ATOM 0 H ARG A 135 -22.632 4.827 13.988 1.00 0.00 H new ATOM 0 HA ARG A 135 -19.957 5.566 14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -20.367 5.429 17.191 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -21.336 6.720 16.508 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -22.451 3.944 17.021 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -22.472 5.209 18.233 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -23.730 6.680 16.636 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -23.759 5.364 15.479 1.00 0.00 H new ATOM 0 HE ARG A 135 -24.830 4.336 17.887 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -25.560 6.825 15.491 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -27.305 6.725 15.748 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -27.070 4.209 18.209 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -28.157 5.249 17.282 1.00 0.00 H new ATOM 2182 N GLY A 136 -21.376 2.953 14.169 1.00 0.00 N ATOM 2183 CA GLY A 136 -21.305 1.505 14.088 1.00 0.00 C ATOM 2184 C GLY A 136 -22.584 0.837 14.546 1.00 0.00 C ATOM 2185 O GLY A 136 -23.276 1.411 15.413 1.00 0.00 O ATOM 2186 OXT GLY A 136 -22.896 -0.261 14.037 1.00 0.00 O ATOM 0 H GLY A 136 -21.925 3.397 13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -21.093 1.211 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -20.474 1.150 14.698 1.00 0.00 H new TER 2190 GLY A 136