USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 837 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 44 ASN : amide:sc= -3.59 K(o=-8.2,f=-12!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.12 K(o=-8.2,f=-9.7) USER MOD Set 1.3: A 79 SER OG : rot -88:sc= -0.495 USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= -0.0144 (180deg=-0.437) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.135 (180deg=-0.601) USER MOD Single : A 13 GLN : amide:sc= -0.765 K(o=-0.77,f=-0.019) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 84:sc= 0.241 USER MOD Single : A 29 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.2) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 39 CYS SG : rot -88:sc= -5.92! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.74 K(o=-3.7,f=-1.4) USER MOD Single : A 53 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.27) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0236 (180deg=-0.361) USER MOD Single : A 68 TYR OH : rot -109:sc= 0.564 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.164 (180deg=-0.89) USER MOD Single : A 76 ASN : amide:sc= -0.461 K(o=-0.46,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.33! K(o=-3.3!,f=-0.54) USER MOD Single : A 86 SER OG : rot 59:sc= 0.768 USER MOD Single : A 88 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.6!) USER MOD Single : A 89 ASN : amide:sc= -1.08! K(o=-1.1!,f=-2.6) USER MOD Single : A 92 ASN : amide:sc= -4.65! C(o=-4.7!,f=-10!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.851 9.046 -0.716 1.00 0.00 N ATOM 42 CA LYS A 3 -7.936 10.028 -0.424 1.00 0.00 C ATOM 43 C LYS A 3 -8.539 9.715 0.952 1.00 0.00 C ATOM 44 O LYS A 3 -8.698 10.586 1.784 1.00 0.00 O ATOM 45 CB LYS A 3 -9.026 9.925 -1.507 1.00 0.00 C ATOM 46 CG LYS A 3 -8.591 10.679 -2.772 1.00 0.00 C ATOM 47 CD LYS A 3 -7.254 10.125 -3.280 1.00 0.00 C ATOM 48 CE LYS A 3 -7.001 10.618 -4.708 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.194 12.095 -4.765 1.00 0.00 N ATOM 0 HA LYS A 3 -7.529 11.039 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.214 8.878 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.962 10.339 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.353 10.579 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.494 11.743 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.444 10.446 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.269 9.035 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.989 10.360 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.683 10.124 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.726 12.474 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.211 12.311 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.781 12.532 -3.917 1.00 0.00 H new ATOM 63 N PHE A 4 -8.870 8.473 1.197 1.00 0.00 N ATOM 64 CA PHE A 4 -9.457 8.092 2.517 1.00 0.00 C ATOM 65 C PHE A 4 -8.338 7.835 3.530 1.00 0.00 C ATOM 66 O PHE A 4 -7.194 7.632 3.177 1.00 0.00 O ATOM 67 CB PHE A 4 -10.336 6.848 2.378 1.00 0.00 C ATOM 68 CG PHE A 4 -9.650 5.794 1.534 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.586 5.048 2.062 1.00 0.00 C ATOM 70 CD2 PHE A 4 -10.090 5.553 0.226 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.965 4.065 1.276 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.472 4.571 -0.554 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.411 3.830 -0.032 1.00 0.00 C ATOM 0 H PHE A 4 -8.758 7.703 0.537 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.079 8.914 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.557 6.442 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.289 7.120 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.246 5.230 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.909 6.127 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.144 3.490 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.816 4.386 -1.561 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.933 3.074 -0.637 1.00 0.00 H new ATOM 83 N THR A 5 -8.669 7.866 4.796 1.00 0.00 N ATOM 84 CA THR A 5 -7.644 7.651 5.862 1.00 0.00 C ATOM 85 C THR A 5 -7.452 6.164 6.127 1.00 0.00 C ATOM 86 O THR A 5 -8.278 5.340 5.790 1.00 0.00 O ATOM 87 CB THR A 5 -8.076 8.332 7.160 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.181 7.968 8.201 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.490 7.892 7.528 1.00 0.00 C ATOM 0 H THR A 5 -9.615 8.033 5.140 1.00 0.00 H new ATOM 0 HA THR A 5 -6.705 8.083 5.516 1.00 0.00 H new ATOM 0 HB THR A 5 -8.061 9.413 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.454 8.405 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.794 8.380 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.177 8.170 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.511 6.811 7.664 1.00 0.00 H new ATOM 97 N GLU A 6 -6.355 5.829 6.733 1.00 0.00 N ATOM 98 CA GLU A 6 -6.059 4.401 7.044 1.00 0.00 C ATOM 99 C GLU A 6 -7.281 3.747 7.699 1.00 0.00 C ATOM 100 O GLU A 6 -7.641 2.637 7.375 1.00 0.00 O ATOM 101 CB GLU A 6 -4.865 4.323 8.000 1.00 0.00 C ATOM 102 CG GLU A 6 -3.584 4.710 7.256 1.00 0.00 C ATOM 103 CD GLU A 6 -3.662 6.177 6.829 1.00 0.00 C ATOM 104 OE1 GLU A 6 -3.850 7.017 7.692 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.533 6.435 5.643 1.00 0.00 O ATOM 0 H GLU A 6 -5.638 6.490 7.032 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.822 3.874 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.021 4.990 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.773 3.314 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.717 4.553 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.453 4.073 6.382 1.00 0.00 H new ATOM 112 N GLU A 7 -7.924 4.427 8.616 1.00 0.00 N ATOM 113 CA GLU A 7 -9.119 3.839 9.288 1.00 0.00 C ATOM 114 C GLU A 7 -10.077 3.278 8.228 1.00 0.00 C ATOM 115 O GLU A 7 -10.679 2.230 8.397 1.00 0.00 O ATOM 116 CB GLU A 7 -9.825 4.935 10.098 1.00 0.00 C ATOM 117 CG GLU A 7 -10.797 4.296 11.088 1.00 0.00 C ATOM 118 CD GLU A 7 -11.678 5.377 11.718 1.00 0.00 C ATOM 119 OE1 GLU A 7 -12.364 6.061 10.976 1.00 0.00 O ATOM 120 OE2 GLU A 7 -11.649 5.505 12.930 1.00 0.00 O ATOM 0 H GLU A 7 -7.671 5.365 8.927 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.812 3.033 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.090 5.537 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.362 5.607 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.418 3.559 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.245 3.766 11.864 1.00 0.00 H new ATOM 127 N GLU A 8 -10.207 3.959 7.127 1.00 0.00 N ATOM 128 CA GLU A 8 -11.101 3.467 6.052 1.00 0.00 C ATOM 129 C GLU A 8 -10.515 2.175 5.497 1.00 0.00 C ATOM 130 O GLU A 8 -11.204 1.193 5.307 1.00 0.00 O ATOM 131 CB GLU A 8 -11.158 4.513 4.948 1.00 0.00 C ATOM 132 CG GLU A 8 -12.308 4.207 3.988 1.00 0.00 C ATOM 133 CD GLU A 8 -13.644 4.475 4.684 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.891 5.620 5.027 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.398 3.533 4.860 1.00 0.00 O ATOM 0 H GLU A 8 -9.730 4.838 6.927 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.105 3.286 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.291 5.504 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.214 4.529 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.222 4.824 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.258 3.168 3.664 1.00 0.00 H new ATOM 142 N ASP A 9 -9.233 2.184 5.235 1.00 0.00 N ATOM 143 CA ASP A 9 -8.561 0.964 4.688 1.00 0.00 C ATOM 144 C ASP A 9 -9.014 -0.264 5.488 1.00 0.00 C ATOM 145 O ASP A 9 -9.117 -1.365 4.975 1.00 0.00 O ATOM 146 CB ASP A 9 -7.043 1.119 4.812 1.00 0.00 C ATOM 147 CG ASP A 9 -6.350 0.010 4.018 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.123 0.209 2.836 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.058 -1.017 4.605 1.00 0.00 O ATOM 0 H ASP A 9 -8.619 2.986 5.377 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.829 0.838 3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.735 2.095 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.746 1.071 5.860 1.00 0.00 H new ATOM 154 N LEU A 10 -9.302 -0.066 6.742 1.00 0.00 N ATOM 155 CA LEU A 10 -9.767 -1.193 7.594 1.00 0.00 C ATOM 156 C LEU A 10 -11.207 -1.520 7.202 1.00 0.00 C ATOM 157 O LEU A 10 -11.614 -2.666 7.169 1.00 0.00 O ATOM 158 CB LEU A 10 -9.699 -0.789 9.083 1.00 0.00 C ATOM 159 CG LEU A 10 -8.503 0.136 9.319 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.404 0.474 10.805 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.212 -0.552 8.858 1.00 0.00 C ATOM 0 H LEU A 10 -9.235 0.834 7.217 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.132 -2.066 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.621 -0.287 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.610 -1.679 9.706 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.641 1.054 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.552 1.133 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.318 0.974 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.272 -0.443 11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.365 0.112 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.070 -1.474 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.283 -0.784 7.795 1.00 0.00 H new ATOM 173 N LYS A 11 -11.978 -0.514 6.887 1.00 0.00 N ATOM 174 CA LYS A 11 -13.385 -0.769 6.479 1.00 0.00 C ATOM 175 C LYS A 11 -13.360 -1.660 5.243 1.00 0.00 C ATOM 176 O LYS A 11 -14.199 -2.517 5.059 1.00 0.00 O ATOM 177 CB LYS A 11 -14.084 0.556 6.148 1.00 0.00 C ATOM 178 CG LYS A 11 -14.005 1.518 7.346 1.00 0.00 C ATOM 179 CD LYS A 11 -14.986 1.090 8.450 1.00 0.00 C ATOM 180 CE LYS A 11 -15.119 2.214 9.480 1.00 0.00 C ATOM 181 NZ LYS A 11 -13.765 2.616 9.955 1.00 0.00 N ATOM 0 H LYS A 11 -11.695 0.466 6.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.931 -1.254 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.617 1.013 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.127 0.370 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.989 1.533 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.236 2.532 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.960 0.862 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.631 0.180 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.629 3.069 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.727 1.881 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.852 3.142 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.185 1.767 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.312 3.221 9.240 1.00 0.00 H new ATOM 195 N LEU A 12 -12.383 -1.471 4.401 1.00 0.00 N ATOM 196 CA LEU A 12 -12.277 -2.308 3.186 1.00 0.00 C ATOM 197 C LEU A 12 -12.096 -3.759 3.606 1.00 0.00 C ATOM 198 O LEU A 12 -12.746 -4.643 3.110 1.00 0.00 O ATOM 199 CB LEU A 12 -11.065 -1.865 2.366 1.00 0.00 C ATOM 200 CG LEU A 12 -11.060 -0.342 2.222 1.00 0.00 C ATOM 201 CD1 LEU A 12 -9.861 0.077 1.360 1.00 0.00 C ATOM 202 CD2 LEU A 12 -12.368 0.125 1.564 1.00 0.00 C ATOM 0 H LEU A 12 -11.652 -0.768 4.508 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.179 -2.203 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.147 -2.196 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.091 -2.332 1.381 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.979 0.118 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.851 1.162 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.937 -0.249 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.942 -0.384 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.358 1.210 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.461 -0.329 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.214 -0.175 2.183 1.00 0.00 H new ATOM 214 N GLN A 13 -11.222 -4.022 4.528 1.00 0.00 N ATOM 215 CA GLN A 13 -11.022 -5.439 4.950 1.00 0.00 C ATOM 216 C GLN A 13 -12.378 -6.049 5.326 1.00 0.00 C ATOM 217 O GLN A 13 -12.631 -7.214 5.092 1.00 0.00 O ATOM 218 CB GLN A 13 -10.090 -5.477 6.165 1.00 0.00 C ATOM 219 CG GLN A 13 -9.706 -6.925 6.484 1.00 0.00 C ATOM 220 CD GLN A 13 -8.924 -6.966 7.797 1.00 0.00 C ATOM 221 OE1 GLN A 13 -7.959 -7.695 7.921 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.301 -6.209 8.790 1.00 0.00 N ATOM 0 H GLN A 13 -10.642 -3.332 5.005 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.579 -6.009 4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.194 -4.890 5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.582 -5.024 7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.602 -7.541 6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.103 -7.339 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.111 -5.597 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.786 -6.229 9.670 1.00 0.00 H new ATOM 231 N GLN A 14 -13.257 -5.271 5.893 1.00 0.00 N ATOM 232 CA GLN A 14 -14.597 -5.815 6.281 1.00 0.00 C ATOM 233 C GLN A 14 -15.549 -5.857 5.080 1.00 0.00 C ATOM 234 O GLN A 14 -16.097 -6.888 4.749 1.00 0.00 O ATOM 235 CB GLN A 14 -15.215 -4.924 7.347 1.00 0.00 C ATOM 236 CG GLN A 14 -14.238 -4.757 8.513 1.00 0.00 C ATOM 237 CD GLN A 14 -14.945 -4.062 9.677 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.082 -4.626 10.744 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.404 -2.851 9.516 1.00 0.00 N ATOM 0 H GLN A 14 -13.110 -4.284 6.106 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.451 -6.828 6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.459 -3.950 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.149 -5.360 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.864 -5.731 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.375 -4.172 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.289 -2.377 8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.878 -2.379 10.286 1.00 0.00 H new ATOM 248 N LEU A 15 -15.777 -4.744 4.441 1.00 0.00 N ATOM 249 CA LEU A 15 -16.718 -4.741 3.286 1.00 0.00 C ATOM 250 C LEU A 15 -16.167 -5.665 2.200 1.00 0.00 C ATOM 251 O LEU A 15 -16.853 -6.537 1.705 1.00 0.00 O ATOM 252 CB LEU A 15 -16.870 -3.303 2.748 1.00 0.00 C ATOM 253 CG LEU A 15 -17.943 -2.547 3.551 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.517 -2.438 5.016 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.119 -1.144 2.967 1.00 0.00 C ATOM 0 H LEU A 15 -15.356 -3.842 4.666 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.699 -5.099 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.917 -2.778 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.145 -3.328 1.694 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.886 -3.091 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.281 -1.902 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.393 -3.437 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.573 -1.898 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.879 -0.606 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.174 -0.605 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.430 -1.220 1.925 1.00 0.00 H new ATOM 267 N VAL A 16 -14.931 -5.491 1.835 1.00 0.00 N ATOM 268 CA VAL A 16 -14.338 -6.366 0.793 1.00 0.00 C ATOM 269 C VAL A 16 -14.466 -7.821 1.239 1.00 0.00 C ATOM 270 O VAL A 16 -14.628 -8.709 0.428 1.00 0.00 O ATOM 271 CB VAL A 16 -12.865 -6.011 0.585 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.299 -6.835 -0.571 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.746 -4.520 0.248 1.00 0.00 C ATOM 0 H VAL A 16 -14.306 -4.780 2.214 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.865 -6.222 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.307 -6.229 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.249 -6.582 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.387 -7.896 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.857 -6.616 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.697 -4.263 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.305 -4.307 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.151 -3.928 1.069 1.00 0.00 H new ATOM 283 N MET A 17 -14.415 -8.083 2.523 1.00 0.00 N ATOM 284 CA MET A 17 -14.562 -9.485 2.975 1.00 0.00 C ATOM 285 C MET A 17 -16.010 -9.921 2.715 1.00 0.00 C ATOM 286 O MET A 17 -16.284 -11.074 2.449 1.00 0.00 O ATOM 287 CB MET A 17 -14.225 -9.576 4.470 1.00 0.00 C ATOM 288 CG MET A 17 -14.656 -10.933 5.029 1.00 0.00 C ATOM 289 SD MET A 17 -13.888 -11.191 6.647 1.00 0.00 S ATOM 290 CE MET A 17 -13.978 -12.998 6.655 1.00 0.00 C ATOM 0 H MET A 17 -14.280 -7.392 3.261 1.00 0.00 H new ATOM 0 HA MET A 17 -13.882 -10.142 2.432 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.154 -9.438 4.617 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.727 -8.775 5.013 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.742 -10.973 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.364 -11.730 4.345 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.550 -13.380 7.582 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.019 -13.311 6.580 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.419 -13.394 5.807 1.00 0.00 H new ATOM 300 N ARG A 18 -16.939 -8.999 2.782 1.00 0.00 N ATOM 301 CA ARG A 18 -18.368 -9.353 2.532 1.00 0.00 C ATOM 302 C ARG A 18 -18.634 -9.396 1.022 1.00 0.00 C ATOM 303 O ARG A 18 -19.400 -10.208 0.543 1.00 0.00 O ATOM 304 CB ARG A 18 -19.272 -8.298 3.173 1.00 0.00 C ATOM 305 CG ARG A 18 -20.737 -8.698 2.986 1.00 0.00 C ATOM 306 CD ARG A 18 -21.632 -7.756 3.793 1.00 0.00 C ATOM 307 NE ARG A 18 -23.041 -8.237 3.733 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.725 -8.121 2.626 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.174 -7.586 1.572 1.00 0.00 N ATOM 310 NH2 ARG A 18 -24.958 -8.542 2.575 1.00 0.00 N ATOM 0 H ARG A 18 -16.768 -8.017 2.999 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.578 -10.331 2.965 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.043 -8.204 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.089 -7.324 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.005 -8.655 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -20.888 -9.727 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.294 -7.715 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.565 -6.743 3.395 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.472 -8.657 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.209 -7.258 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.708 -7.495 0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.388 -8.962 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -25.492 -8.452 1.711 1.00 0.00 H new ATOM 324 N TYR A 19 -18.005 -8.527 0.266 1.00 0.00 N ATOM 325 CA TYR A 19 -18.217 -8.512 -1.218 1.00 0.00 C ATOM 326 C TYR A 19 -17.121 -9.337 -1.893 1.00 0.00 C ATOM 327 O TYR A 19 -17.136 -9.551 -3.089 1.00 0.00 O ATOM 328 CB TYR A 19 -18.149 -7.067 -1.723 1.00 0.00 C ATOM 329 CG TYR A 19 -19.188 -6.235 -1.000 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.548 -6.471 -1.232 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.797 -5.239 -0.093 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.514 -5.714 -0.562 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.765 -4.484 0.579 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.124 -4.722 0.344 1.00 0.00 C ATOM 335 OH TYR A 19 -22.079 -3.978 1.006 1.00 0.00 O ATOM 0 H TYR A 19 -17.352 -7.825 0.614 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.192 -8.937 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.154 -6.656 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.326 -7.037 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.851 -7.238 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.748 -5.055 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.563 -5.895 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.464 -3.718 1.278 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.639 -3.334 1.599 1.00 0.00 H new ATOM 345 N GLY A 20 -16.167 -9.795 -1.131 1.00 0.00 N ATOM 346 CA GLY A 20 -15.057 -10.602 -1.711 1.00 0.00 C ATOM 347 C GLY A 20 -14.029 -9.661 -2.333 1.00 0.00 C ATOM 348 O GLY A 20 -12.929 -9.527 -1.839 1.00 0.00 O ATOM 0 H GLY A 20 -16.108 -9.644 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.590 -11.211 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.444 -11.287 -2.465 1.00 0.00 H new ATOM 352 N ALA A 21 -14.404 -9.009 -3.409 1.00 0.00 N ATOM 353 CA ALA A 21 -13.498 -8.044 -4.124 1.00 0.00 C ATOM 354 C ALA A 21 -13.941 -7.959 -5.594 1.00 0.00 C ATOM 355 O ALA A 21 -13.149 -8.109 -6.505 1.00 0.00 O ATOM 356 CB ALA A 21 -12.026 -8.511 -4.051 1.00 0.00 C ATOM 0 H ALA A 21 -15.326 -9.107 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.566 -7.066 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.391 -7.797 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.716 -8.575 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.932 -9.491 -4.518 1.00 0.00 H new ATOM 362 N LYS A 22 -15.207 -7.728 -5.836 1.00 0.00 N ATOM 363 CA LYS A 22 -15.701 -7.644 -7.252 1.00 0.00 C ATOM 364 C LYS A 22 -16.871 -6.653 -7.374 1.00 0.00 C ATOM 365 O LYS A 22 -17.228 -6.253 -8.464 1.00 0.00 O ATOM 366 CB LYS A 22 -16.163 -9.029 -7.704 1.00 0.00 C ATOM 367 CG LYS A 22 -17.322 -9.497 -6.819 1.00 0.00 C ATOM 368 CD LYS A 22 -17.615 -10.973 -7.099 1.00 0.00 C ATOM 369 CE LYS A 22 -18.853 -11.406 -6.311 1.00 0.00 C ATOM 370 NZ LYS A 22 -19.172 -12.827 -6.629 1.00 0.00 N ATOM 0 H LYS A 22 -15.921 -7.594 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.885 -7.291 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.479 -8.996 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.337 -9.737 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.070 -9.359 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.209 -8.895 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.778 -11.126 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.758 -11.585 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.675 -11.293 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.699 -10.767 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.013 -13.122 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.359 -12.921 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.366 -13.431 -6.368 1.00 0.00 H new ATOM 384 N ASP A 23 -17.468 -6.248 -6.274 1.00 0.00 N ATOM 385 CA ASP A 23 -18.610 -5.277 -6.329 1.00 0.00 C ATOM 386 C ASP A 23 -18.129 -3.927 -5.803 1.00 0.00 C ATOM 387 O ASP A 23 -18.758 -3.310 -4.968 1.00 0.00 O ATOM 388 CB ASP A 23 -19.752 -5.788 -5.446 1.00 0.00 C ATOM 389 CG ASP A 23 -20.062 -7.242 -5.803 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.555 -7.471 -6.896 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.801 -8.104 -4.979 1.00 0.00 O ATOM 0 H ASP A 23 -17.210 -6.551 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.964 -5.173 -7.355 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.475 -5.712 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.639 -5.171 -5.587 1.00 0.00 H new ATOM 396 N TRP A 24 -17.009 -3.469 -6.287 1.00 0.00 N ATOM 397 CA TRP A 24 -16.472 -2.164 -5.818 1.00 0.00 C ATOM 398 C TRP A 24 -17.454 -1.049 -6.169 1.00 0.00 C ATOM 399 O TRP A 24 -17.523 -0.040 -5.500 1.00 0.00 O ATOM 400 CB TRP A 24 -15.120 -1.900 -6.484 1.00 0.00 C ATOM 401 CG TRP A 24 -14.207 -3.031 -6.167 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.952 -4.094 -6.964 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.431 -3.223 -4.964 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.059 -4.929 -6.314 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.709 -4.431 -5.073 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.291 -2.464 -3.798 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.871 -4.871 -4.048 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.452 -2.895 -2.766 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.741 -4.097 -2.889 1.00 0.00 C ATOM 0 H TRP A 24 -16.442 -3.944 -6.989 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.339 -2.192 -4.737 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.242 -1.803 -7.563 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.698 -0.961 -6.125 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.374 -4.263 -7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.704 -5.803 -6.702 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.835 -1.537 -3.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.328 -5.799 -4.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.351 -2.300 -1.871 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.093 -4.426 -2.090 1.00 0.00 H new ATOM 420 N ILE A 25 -18.223 -1.224 -7.206 1.00 0.00 N ATOM 421 CA ILE A 25 -19.204 -0.179 -7.581 1.00 0.00 C ATOM 422 C ILE A 25 -20.198 -0.051 -6.439 1.00 0.00 C ATOM 423 O ILE A 25 -20.767 0.995 -6.199 1.00 0.00 O ATOM 424 CB ILE A 25 -19.936 -0.598 -8.861 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.310 -2.082 -8.777 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.031 -0.371 -10.074 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.272 -2.431 -9.915 1.00 0.00 C ATOM 0 H ILE A 25 -18.212 -2.047 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.704 0.773 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.840 0.001 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.413 -2.698 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.775 -2.297 -7.815 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.556 -0.670 -10.981 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.768 0.685 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.124 -0.965 -9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.538 -3.486 -9.856 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.173 -1.824 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.791 -2.232 -10.872 1.00 0.00 H new ATOM 439 N ARG A 26 -20.397 -1.121 -5.724 1.00 0.00 N ATOM 440 CA ARG A 26 -21.338 -1.094 -4.582 1.00 0.00 C ATOM 441 C ARG A 26 -20.617 -0.477 -3.391 1.00 0.00 C ATOM 442 O ARG A 26 -21.064 0.478 -2.803 1.00 0.00 O ATOM 443 CB ARG A 26 -21.773 -2.520 -4.238 1.00 0.00 C ATOM 444 CG ARG A 26 -22.888 -2.475 -3.192 1.00 0.00 C ATOM 445 CD ARG A 26 -23.441 -3.885 -2.974 1.00 0.00 C ATOM 446 NE ARG A 26 -24.458 -3.857 -1.886 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.221 -4.896 -1.679 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.094 -5.960 -2.423 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.112 -4.870 -0.725 1.00 0.00 N ATOM 0 H ARG A 26 -19.942 -2.019 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.223 -0.509 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.122 -3.032 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.925 -3.088 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -22.505 -2.074 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.684 -1.808 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -23.889 -4.258 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.633 -4.568 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.558 -3.026 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.398 -5.981 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.691 -6.771 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.211 -4.039 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.709 -5.681 -0.562 1.00 0.00 H new ATOM 463 N ILE A 27 -19.487 -1.007 -3.039 1.00 0.00 N ATOM 464 CA ILE A 27 -18.738 -0.435 -1.893 1.00 0.00 C ATOM 465 C ILE A 27 -18.532 1.066 -2.115 1.00 0.00 C ATOM 466 O ILE A 27 -18.515 1.854 -1.186 1.00 0.00 O ATOM 467 CB ILE A 27 -17.374 -1.118 -1.799 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.579 -2.618 -1.574 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.580 -0.518 -0.635 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.243 -3.359 -1.712 1.00 0.00 C ATOM 0 H ILE A 27 -19.049 -1.809 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.300 -0.594 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.818 -0.963 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.999 -2.791 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.296 -3.007 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.607 -1.006 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.440 0.550 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.127 -0.671 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.400 -4.425 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.840 -3.199 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.538 -2.980 -0.972 1.00 0.00 H new ATOM 482 N SER A 28 -18.369 1.457 -3.345 1.00 0.00 N ATOM 483 CA SER A 28 -18.150 2.893 -3.662 1.00 0.00 C ATOM 484 C SER A 28 -19.468 3.656 -3.572 1.00 0.00 C ATOM 485 O SER A 28 -19.491 4.840 -3.299 1.00 0.00 O ATOM 486 CB SER A 28 -17.578 3.015 -5.073 1.00 0.00 C ATOM 487 OG SER A 28 -16.254 2.494 -5.089 1.00 0.00 O ATOM 0 H SER A 28 -18.378 0.836 -4.154 1.00 0.00 H new ATOM 0 HA SER A 28 -17.448 3.318 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.204 2.471 -5.780 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.575 4.059 -5.388 1.00 0.00 H new ATOM 0 HG SER A 28 -16.286 1.522 -5.209 1.00 0.00 H new ATOM 493 N GLN A 29 -20.571 2.999 -3.810 1.00 0.00 N ATOM 494 CA GLN A 29 -21.876 3.715 -3.745 1.00 0.00 C ATOM 495 C GLN A 29 -22.143 4.121 -2.289 1.00 0.00 C ATOM 496 O GLN A 29 -22.793 5.111 -2.017 1.00 0.00 O ATOM 497 CB GLN A 29 -22.996 2.814 -4.332 1.00 0.00 C ATOM 498 CG GLN A 29 -23.653 1.909 -3.256 1.00 0.00 C ATOM 499 CD GLN A 29 -24.868 2.613 -2.636 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.997 3.819 -2.726 1.00 0.00 O ATOM 501 NE2 GLN A 29 -25.767 1.907 -2.007 1.00 0.00 N ATOM 0 H GLN A 29 -20.625 2.008 -4.044 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.854 4.624 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -23.760 3.442 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.579 2.190 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -23.961 0.965 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.927 1.671 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -25.660 0.896 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -26.577 2.367 -1.591 1.00 0.00 H new ATOM 510 N LEU A 30 -21.620 3.371 -1.354 1.00 0.00 N ATOM 511 CA LEU A 30 -21.814 3.726 0.080 1.00 0.00 C ATOM 512 C LEU A 30 -20.919 4.926 0.396 1.00 0.00 C ATOM 513 O LEU A 30 -21.361 5.916 0.944 1.00 0.00 O ATOM 514 CB LEU A 30 -21.415 2.544 0.978 1.00 0.00 C ATOM 515 CG LEU A 30 -22.040 1.244 0.462 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.557 0.077 1.329 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.571 1.333 0.533 1.00 0.00 C ATOM 0 H LEU A 30 -21.068 2.530 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.861 3.965 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.329 2.448 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.741 2.730 2.001 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.741 1.086 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.998 -0.852 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.471 0.008 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.858 0.243 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.007 0.405 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.879 1.493 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.916 2.165 -0.081 1.00 0.00 H new ATOM 529 N MET A 31 -19.658 4.835 0.039 1.00 0.00 N ATOM 530 CA MET A 31 -18.693 5.955 0.293 1.00 0.00 C ATOM 531 C MET A 31 -18.239 6.539 -1.047 1.00 0.00 C ATOM 532 O MET A 31 -17.094 6.413 -1.433 1.00 0.00 O ATOM 533 CB MET A 31 -17.478 5.411 1.046 1.00 0.00 C ATOM 534 CG MET A 31 -17.893 5.013 2.464 1.00 0.00 C ATOM 535 SD MET A 31 -16.541 4.108 3.257 1.00 0.00 S ATOM 536 CE MET A 31 -17.523 3.336 4.567 1.00 0.00 C ATOM 0 H MET A 31 -19.252 4.022 -0.423 1.00 0.00 H new ATOM 0 HA MET A 31 -19.175 6.731 0.888 1.00 0.00 H new ATOM 0 HB2 MET A 31 -17.067 4.549 0.520 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.692 6.166 1.084 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.140 5.902 3.045 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.790 4.394 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.877 2.718 5.190 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.985 4.110 5.179 1.00 0.00 H new ATOM 0 HE3 MET A 31 -18.299 2.714 4.121 1.00 0.00 H new ATOM 546 N ILE A 32 -19.128 7.177 -1.760 1.00 0.00 N ATOM 547 CA ILE A 32 -18.754 7.771 -3.077 1.00 0.00 C ATOM 548 C ILE A 32 -17.493 8.627 -2.919 1.00 0.00 C ATOM 549 O ILE A 32 -16.862 9.006 -3.885 1.00 0.00 O ATOM 550 CB ILE A 32 -19.903 8.649 -3.576 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.341 9.590 -2.451 1.00 0.00 C ATOM 552 CG2 ILE A 32 -21.082 7.764 -3.987 1.00 0.00 C ATOM 553 CD1 ILE A 32 -21.403 10.554 -2.976 1.00 0.00 C ATOM 0 H ILE A 32 -20.101 7.313 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.560 6.973 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.572 9.232 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.739 9.014 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.483 10.147 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.900 8.390 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.770 7.088 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.417 7.182 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.715 11.224 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.989 11.139 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -22.264 9.988 -3.331 1.00 0.00 H new ATOM 565 N THR A 33 -17.129 8.932 -1.706 1.00 0.00 N ATOM 566 CA THR A 33 -15.914 9.765 -1.477 1.00 0.00 C ATOM 567 C THR A 33 -14.700 9.106 -2.142 1.00 0.00 C ATOM 568 O THR A 33 -13.615 9.653 -2.151 1.00 0.00 O ATOM 569 CB THR A 33 -15.670 9.894 0.034 1.00 0.00 C ATOM 570 OG1 THR A 33 -16.858 10.356 0.661 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.531 10.884 0.307 1.00 0.00 C ATOM 0 H THR A 33 -17.620 8.641 -0.861 1.00 0.00 H new ATOM 0 HA THR A 33 -16.062 10.754 -1.910 1.00 0.00 H new ATOM 0 HB THR A 33 -15.392 8.919 0.435 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.708 10.438 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.369 10.965 1.382 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.618 10.529 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.795 11.862 -0.095 1.00 0.00 H new ATOM 579 N ARG A 34 -14.868 7.934 -2.702 1.00 0.00 N ATOM 580 CA ARG A 34 -13.719 7.242 -3.365 1.00 0.00 C ATOM 581 C ARG A 34 -14.240 6.407 -4.536 1.00 0.00 C ATOM 582 O ARG A 34 -15.345 5.902 -4.506 1.00 0.00 O ATOM 583 CB ARG A 34 -13.022 6.332 -2.342 1.00 0.00 C ATOM 584 CG ARG A 34 -13.947 5.152 -1.957 1.00 0.00 C ATOM 585 CD ARG A 34 -13.634 4.676 -0.531 1.00 0.00 C ATOM 586 NE ARG A 34 -14.423 3.445 -0.232 1.00 0.00 N ATOM 587 CZ ARG A 34 -14.595 3.062 1.005 1.00 0.00 C ATOM 588 NH1 ARG A 34 -14.082 3.758 1.981 1.00 0.00 N ATOM 589 NH2 ARG A 34 -15.283 1.984 1.267 1.00 0.00 N ATOM 0 H ARG A 34 -15.752 7.426 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.006 7.977 -3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.090 5.951 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.763 6.905 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.990 5.461 -2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.812 4.330 -2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.568 4.471 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.877 5.460 0.187 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.828 2.902 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.546 4.602 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.217 3.458 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.687 1.439 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.416 1.686 2.233 1.00 0.00 H new ATOM 603 N ASN A 35 -13.457 6.262 -5.573 1.00 0.00 N ATOM 604 CA ASN A 35 -13.909 5.464 -6.753 1.00 0.00 C ATOM 605 C ASN A 35 -13.595 3.982 -6.514 1.00 0.00 C ATOM 606 O ASN A 35 -12.699 3.654 -5.764 1.00 0.00 O ATOM 607 CB ASN A 35 -13.168 5.973 -8.007 1.00 0.00 C ATOM 608 CG ASN A 35 -13.871 7.216 -8.563 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.550 8.328 -8.192 1.00 0.00 O ATOM 610 ND2 ASN A 35 -14.823 7.074 -9.445 1.00 0.00 N ATOM 0 H ASN A 35 -12.522 6.662 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.984 5.576 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.134 6.211 -7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.140 5.191 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.296 7.895 -9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.094 6.142 -9.758 1.00 0.00 H new ATOM 617 N PRO A 36 -14.321 3.082 -7.141 1.00 0.00 N ATOM 618 CA PRO A 36 -14.079 1.625 -6.960 1.00 0.00 C ATOM 619 C PRO A 36 -12.609 1.284 -7.219 1.00 0.00 C ATOM 620 O PRO A 36 -12.055 0.371 -6.639 1.00 0.00 O ATOM 621 CB PRO A 36 -15.016 0.947 -7.992 1.00 0.00 C ATOM 622 CG PRO A 36 -15.477 2.046 -8.906 1.00 0.00 C ATOM 623 CD PRO A 36 -15.432 3.331 -8.078 1.00 0.00 C ATOM 0 HA PRO A 36 -14.284 1.286 -5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.490 0.171 -8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.861 0.468 -7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.831 2.123 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.486 1.852 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.247 4.206 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.371 3.506 -7.553 1.00 0.00 H new ATOM 631 N ARG A 37 -11.980 2.024 -8.086 1.00 0.00 N ATOM 632 CA ARG A 37 -10.557 1.775 -8.396 1.00 0.00 C ATOM 633 C ARG A 37 -9.696 2.203 -7.204 1.00 0.00 C ATOM 634 O ARG A 37 -8.604 1.710 -7.009 1.00 0.00 O ATOM 635 CB ARG A 37 -10.170 2.591 -9.631 1.00 0.00 C ATOM 636 CG ARG A 37 -8.806 2.134 -10.134 1.00 0.00 C ATOM 637 CD ARG A 37 -8.322 3.076 -11.238 1.00 0.00 C ATOM 638 NE ARG A 37 -9.320 3.098 -12.344 1.00 0.00 N ATOM 639 CZ ARG A 37 -9.236 4.001 -13.283 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.276 4.885 -13.254 1.00 0.00 N ATOM 641 NH2 ARG A 37 -10.111 4.018 -14.251 1.00 0.00 N ATOM 0 H ARG A 37 -12.402 2.800 -8.597 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.397 0.715 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.919 2.465 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.142 3.652 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.090 2.123 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.871 1.115 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.183 4.081 -10.839 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.354 2.746 -11.614 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.070 2.407 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.592 4.870 -12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.210 5.591 -13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.860 3.326 -14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.046 4.723 -14.985 1.00 0.00 H new ATOM 655 N GLN A 38 -10.169 3.134 -6.416 1.00 0.00 N ATOM 656 CA GLN A 38 -9.360 3.603 -5.257 1.00 0.00 C ATOM 657 C GLN A 38 -9.307 2.534 -4.166 1.00 0.00 C ATOM 658 O GLN A 38 -8.264 2.294 -3.597 1.00 0.00 O ATOM 659 CB GLN A 38 -9.971 4.885 -4.689 1.00 0.00 C ATOM 660 CG GLN A 38 -9.802 6.025 -5.699 1.00 0.00 C ATOM 661 CD GLN A 38 -8.334 6.450 -5.755 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.550 5.876 -6.485 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.925 7.440 -5.009 1.00 0.00 N ATOM 0 H GLN A 38 -11.076 3.587 -6.526 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.344 3.800 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.028 4.731 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.487 5.145 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.135 5.702 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.425 6.872 -5.413 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.582 7.922 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.948 7.731 -5.039 1.00 0.00 H new ATOM 672 N CYS A 39 -10.400 1.884 -3.854 1.00 0.00 N ATOM 673 CA CYS A 39 -10.336 0.842 -2.788 1.00 0.00 C ATOM 674 C CYS A 39 -9.745 -0.433 -3.378 1.00 0.00 C ATOM 675 O CYS A 39 -9.116 -1.216 -2.694 1.00 0.00 O ATOM 676 CB CYS A 39 -11.737 0.554 -2.263 1.00 0.00 C ATOM 677 SG CYS A 39 -12.531 2.101 -1.779 1.00 0.00 S ATOM 0 H CYS A 39 -11.315 2.026 -4.282 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.713 1.197 -1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.328 0.054 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.685 -0.122 -1.410 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.239 2.370 -0.541 1.00 0.00 H new ATOM 683 N ARG A 40 -9.941 -0.643 -4.647 1.00 0.00 N ATOM 684 CA ARG A 40 -9.389 -1.863 -5.291 1.00 0.00 C ATOM 685 C ARG A 40 -7.868 -1.843 -5.165 1.00 0.00 C ATOM 686 O ARG A 40 -7.249 -2.822 -4.798 1.00 0.00 O ATOM 687 CB ARG A 40 -9.785 -1.866 -6.770 1.00 0.00 C ATOM 688 CG ARG A 40 -9.131 -3.042 -7.519 1.00 0.00 C ATOM 689 CD ARG A 40 -9.466 -4.374 -6.836 1.00 0.00 C ATOM 690 NE ARG A 40 -9.269 -5.487 -7.806 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.112 -5.655 -8.789 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.128 -4.847 -8.923 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.937 -6.629 -9.640 1.00 0.00 N ATOM 0 H ARG A 40 -10.460 -0.021 -5.267 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.783 -2.757 -4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.869 -1.933 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.485 -0.925 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.478 -3.060 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.050 -2.905 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.829 -4.519 -5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.496 -4.364 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.475 -6.119 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.264 -4.084 -8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.786 -4.978 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.142 -7.259 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.596 -6.760 -10.408 1.00 0.00 H new ATOM 707 N GLU A 41 -7.260 -0.728 -5.469 1.00 0.00 N ATOM 708 CA GLU A 41 -5.778 -0.634 -5.369 1.00 0.00 C ATOM 709 C GLU A 41 -5.333 -1.079 -3.975 1.00 0.00 C ATOM 710 O GLU A 41 -4.258 -1.620 -3.804 1.00 0.00 O ATOM 711 CB GLU A 41 -5.339 0.815 -5.614 1.00 0.00 C ATOM 712 CG GLU A 41 -5.468 1.149 -7.105 1.00 0.00 C ATOM 713 CD GLU A 41 -5.314 2.658 -7.309 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.745 3.298 -6.440 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.768 3.147 -8.330 1.00 0.00 O ATOM 0 H GLU A 41 -7.728 0.122 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.320 -1.280 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.953 1.496 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.308 0.953 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.707 0.615 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.437 0.818 -7.479 1.00 0.00 H new ATOM 722 N ARG A 42 -6.144 -0.857 -2.972 1.00 0.00 N ATOM 723 CA ARG A 42 -5.737 -1.280 -1.593 1.00 0.00 C ATOM 724 C ARG A 42 -5.913 -2.799 -1.450 1.00 0.00 C ATOM 725 O ARG A 42 -5.141 -3.456 -0.784 1.00 0.00 O ATOM 726 CB ARG A 42 -6.593 -0.536 -0.550 1.00 0.00 C ATOM 727 CG ARG A 42 -5.978 0.842 -0.244 1.00 0.00 C ATOM 728 CD ARG A 42 -5.751 1.631 -1.548 1.00 0.00 C ATOM 729 NE ARG A 42 -4.450 1.233 -2.157 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.328 1.598 -1.601 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.343 2.312 -0.508 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.189 1.250 -2.136 1.00 0.00 N ATOM 0 H ARG A 42 -7.057 -0.408 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.689 -1.031 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.610 -0.414 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.658 -1.125 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.638 1.403 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.032 0.716 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.565 1.438 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.755 2.701 -1.342 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.437 0.674 -3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.232 2.584 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.466 2.597 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.176 0.692 -2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.312 1.536 -1.700 1.00 0.00 H new ATOM 746 N TRP A 43 -6.917 -3.360 -2.066 1.00 0.00 N ATOM 747 CA TRP A 43 -7.136 -4.837 -1.959 1.00 0.00 C ATOM 748 C TRP A 43 -5.820 -5.584 -2.162 1.00 0.00 C ATOM 749 O TRP A 43 -5.380 -6.310 -1.302 1.00 0.00 O ATOM 750 CB TRP A 43 -8.115 -5.244 -3.066 1.00 0.00 C ATOM 751 CG TRP A 43 -8.528 -6.681 -2.942 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.924 -7.299 -1.803 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.613 -7.685 -3.997 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.238 -8.615 -2.093 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.063 -8.900 -3.432 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.343 -7.658 -5.378 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.240 -10.048 -4.207 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.518 -8.810 -6.160 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.966 -10.003 -5.577 1.00 0.00 C ATOM 0 H TRP A 43 -7.598 -2.862 -2.640 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.529 -5.084 -0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.998 -4.607 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.652 -5.081 -4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.985 -6.839 -0.828 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.560 -9.292 -1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.999 -6.744 -5.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.586 -10.964 -3.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.306 -8.777 -7.218 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.099 -10.886 -6.185 1.00 0.00 H new ATOM 770 N ASN A 44 -5.186 -5.392 -3.278 1.00 0.00 N ATOM 771 CA ASN A 44 -3.896 -6.097 -3.543 1.00 0.00 C ATOM 772 C ASN A 44 -2.749 -5.457 -2.757 1.00 0.00 C ATOM 773 O ASN A 44 -1.843 -6.133 -2.313 1.00 0.00 O ATOM 774 CB ASN A 44 -3.582 -6.023 -5.039 1.00 0.00 C ATOM 775 CG ASN A 44 -3.623 -4.564 -5.497 1.00 0.00 C ATOM 776 OD1 ASN A 44 -2.640 -3.856 -5.400 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.727 -4.081 -5.998 1.00 0.00 N ATOM 0 H ASN A 44 -5.503 -4.775 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.997 -7.135 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.599 -6.450 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.305 -6.613 -5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.764 -3.110 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.552 -4.675 -6.080 1.00 0.00 H new ATOM 784 N ASN A 45 -2.759 -4.161 -2.600 1.00 0.00 N ATOM 785 CA ASN A 45 -1.644 -3.486 -1.865 1.00 0.00 C ATOM 786 C ASN A 45 -1.947 -3.403 -0.367 1.00 0.00 C ATOM 787 O ASN A 45 -1.314 -2.655 0.351 1.00 0.00 O ATOM 788 CB ASN A 45 -1.467 -2.070 -2.418 1.00 0.00 C ATOM 789 CG ASN A 45 -1.163 -2.141 -3.915 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.452 -3.019 -4.362 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.673 -1.245 -4.715 1.00 0.00 N ATOM 0 H ASN A 45 -3.489 -3.539 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.733 -4.068 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.371 -1.486 -2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.656 -1.563 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.475 -1.282 -5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.270 -0.508 -4.340 1.00 0.00 H new ATOM 798 N TYR A 46 -2.895 -4.164 0.124 1.00 0.00 N ATOM 799 CA TYR A 46 -3.200 -4.112 1.591 1.00 0.00 C ATOM 800 C TYR A 46 -3.692 -5.487 2.067 1.00 0.00 C ATOM 801 O TYR A 46 -3.097 -6.085 2.942 1.00 0.00 O ATOM 802 CB TYR A 46 -4.255 -3.008 1.863 1.00 0.00 C ATOM 803 CG TYR A 46 -3.932 -2.278 3.160 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.828 -2.999 4.355 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.723 -0.889 3.162 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.521 -2.336 5.549 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.414 -0.229 4.356 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.314 -0.952 5.550 1.00 0.00 C ATOM 809 OH TYR A 46 -3.009 -0.300 6.728 1.00 0.00 O ATOM 0 H TYR A 46 -3.466 -4.812 -0.419 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.297 -3.865 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.273 -2.300 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.249 -3.452 1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.985 -4.068 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.801 -0.330 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.444 -2.893 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.253 0.839 4.356 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.896 0.657 6.552 1.00 0.00 H new ATOM 819 N ILE A 47 -4.761 -6.005 1.502 1.00 0.00 N ATOM 820 CA ILE A 47 -5.267 -7.354 1.937 1.00 0.00 C ATOM 821 C ILE A 47 -5.857 -8.128 0.742 1.00 0.00 C ATOM 822 O ILE A 47 -6.774 -7.694 0.074 1.00 0.00 O ATOM 823 CB ILE A 47 -6.308 -7.216 3.096 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.756 -6.978 2.601 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.913 -6.058 4.016 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.863 -5.673 1.804 1.00 0.00 C ATOM 0 H ILE A 47 -5.303 -5.557 0.763 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.422 -7.926 2.321 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.295 -8.167 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.072 -7.815 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.433 -6.942 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.642 -5.968 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.927 -6.250 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.888 -5.131 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.891 -5.534 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.570 -4.835 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.203 -5.721 0.937 1.00 0.00 H new ATOM 838 N ASN A 48 -5.316 -9.292 0.497 1.00 0.00 N ATOM 839 CA ASN A 48 -5.794 -10.178 -0.612 1.00 0.00 C ATOM 840 C ASN A 48 -4.945 -11.466 -0.612 1.00 0.00 C ATOM 841 O ASN A 48 -5.480 -12.555 -0.684 1.00 0.00 O ATOM 842 CB ASN A 48 -5.719 -9.436 -1.983 1.00 0.00 C ATOM 843 CG ASN A 48 -4.818 -10.161 -2.998 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.179 -11.196 -3.521 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.652 -9.651 -3.294 1.00 0.00 N ATOM 0 H ASN A 48 -4.540 -9.679 1.034 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.840 -10.442 -0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.723 -9.341 -2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.343 -8.425 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.045 -10.122 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.349 -8.782 -2.855 1.00 0.00 H new ATOM 852 N PRO A 49 -3.633 -11.354 -0.543 1.00 0.00 N ATOM 853 CA PRO A 49 -2.723 -12.522 -0.548 1.00 0.00 C ATOM 854 C PRO A 49 -2.280 -12.912 0.873 1.00 0.00 C ATOM 855 O PRO A 49 -1.639 -13.923 1.070 1.00 0.00 O ATOM 856 CB PRO A 49 -1.533 -12.004 -1.383 1.00 0.00 C ATOM 857 CG PRO A 49 -1.542 -10.491 -1.216 1.00 0.00 C ATOM 858 CD PRO A 49 -2.838 -10.122 -0.453 1.00 0.00 C ATOM 0 HA PRO A 49 -3.184 -13.425 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.593 -12.431 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.639 -12.283 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.663 -10.160 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.513 -9.997 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.633 -9.848 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.350 -9.276 -0.912 1.00 0.00 H new ATOM 866 N ALA A 50 -2.605 -12.107 1.853 1.00 0.00 N ATOM 867 CA ALA A 50 -2.192 -12.417 3.254 1.00 0.00 C ATOM 868 C ALA A 50 -0.682 -12.202 3.362 1.00 0.00 C ATOM 869 O ALA A 50 0.075 -13.105 3.659 1.00 0.00 O ATOM 870 CB ALA A 50 -2.568 -13.870 3.611 1.00 0.00 C ATOM 0 H ALA A 50 -3.140 -11.246 1.742 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.708 -11.762 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.262 -14.084 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.646 -14.000 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.062 -14.555 2.930 1.00 0.00 H new ATOM 876 N LEU A 51 -0.247 -10.999 3.097 1.00 0.00 N ATOM 877 CA LEU A 51 1.212 -10.671 3.147 1.00 0.00 C ATOM 878 C LEU A 51 1.553 -10.018 4.490 1.00 0.00 C ATOM 879 O LEU A 51 2.461 -9.218 4.589 1.00 0.00 O ATOM 880 CB LEU A 51 1.554 -9.716 1.979 1.00 0.00 C ATOM 881 CG LEU A 51 0.397 -8.734 1.714 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.126 -7.879 2.955 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.781 -7.830 0.542 1.00 0.00 C ATOM 0 H LEU A 51 -0.849 -10.216 2.844 1.00 0.00 H new ATOM 0 HA LEU A 51 1.800 -11.583 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.462 -9.160 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.758 -10.295 1.078 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.507 -9.295 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.694 -7.191 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.142 -8.525 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.021 -7.311 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.029 -7.129 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.687 -7.277 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.960 -8.439 -0.344 1.00 0.00 H new ATOM 895 N ARG A 52 0.841 -10.357 5.530 1.00 0.00 N ATOM 896 CA ARG A 52 1.147 -9.755 6.857 1.00 0.00 C ATOM 897 C ARG A 52 2.582 -10.120 7.245 1.00 0.00 C ATOM 898 O ARG A 52 3.098 -9.678 8.252 1.00 0.00 O ATOM 899 CB ARG A 52 0.165 -10.291 7.906 1.00 0.00 C ATOM 900 CG ARG A 52 0.377 -11.796 8.103 1.00 0.00 C ATOM 901 CD ARG A 52 -0.791 -12.381 8.901 1.00 0.00 C ATOM 902 NE ARG A 52 -1.103 -11.487 10.052 1.00 0.00 N ATOM 903 CZ ARG A 52 -0.301 -11.439 11.081 1.00 0.00 C ATOM 904 NH1 ARG A 52 0.778 -12.174 11.102 1.00 0.00 N ATOM 905 NH2 ARG A 52 -0.576 -10.655 12.087 1.00 0.00 N ATOM 0 H ARG A 52 0.066 -11.020 5.518 1.00 0.00 H new ATOM 0 HA ARG A 52 1.047 -8.671 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.309 -9.768 8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.860 -10.098 7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.454 -12.292 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.315 -11.975 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.667 -12.486 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.537 -13.378 9.260 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.945 -10.911 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.994 -12.785 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.405 -12.137 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.418 -10.079 12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.051 -10.618 12.891 1.00 0.00 H new ATOM 919 N THR A 53 3.232 -10.926 6.442 1.00 0.00 N ATOM 920 CA THR A 53 4.641 -11.331 6.742 1.00 0.00 C ATOM 921 C THR A 53 5.376 -11.621 5.429 1.00 0.00 C ATOM 922 O THR A 53 5.777 -12.737 5.166 1.00 0.00 O ATOM 923 CB THR A 53 4.637 -12.591 7.615 1.00 0.00 C ATOM 924 OG1 THR A 53 5.936 -13.168 7.612 1.00 0.00 O ATOM 925 CG2 THR A 53 3.626 -13.601 7.067 1.00 0.00 C ATOM 0 H THR A 53 2.845 -11.323 5.586 1.00 0.00 H new ATOM 0 HA THR A 53 5.147 -10.525 7.273 1.00 0.00 H new ATOM 0 HB THR A 53 4.357 -12.324 8.634 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.146 -13.496 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.628 -14.494 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.630 -13.158 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.898 -13.872 6.047 1.00 0.00 H new ATOM 933 N ASP A 54 5.555 -10.618 4.600 1.00 0.00 N ATOM 934 CA ASP A 54 6.261 -10.816 3.293 1.00 0.00 C ATOM 935 C ASP A 54 7.201 -9.631 3.046 1.00 0.00 C ATOM 936 O ASP A 54 6.881 -8.729 2.298 1.00 0.00 O ATOM 937 CB ASP A 54 5.219 -10.885 2.170 1.00 0.00 C ATOM 938 CG ASP A 54 5.879 -11.376 0.879 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.049 -11.718 0.927 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.201 -11.402 -0.136 1.00 0.00 O ATOM 0 H ASP A 54 5.240 -9.664 4.775 1.00 0.00 H new ATOM 0 HA ASP A 54 6.838 -11.740 3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.409 -11.557 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.776 -9.902 2.012 1.00 0.00 H new ATOM 945 N PRO A 55 8.351 -9.623 3.679 1.00 0.00 N ATOM 946 CA PRO A 55 9.339 -8.522 3.531 1.00 0.00 C ATOM 947 C PRO A 55 10.266 -8.724 2.329 1.00 0.00 C ATOM 948 O PRO A 55 10.762 -9.807 2.085 1.00 0.00 O ATOM 949 CB PRO A 55 10.122 -8.606 4.841 1.00 0.00 C ATOM 950 CG PRO A 55 10.180 -10.074 5.126 1.00 0.00 C ATOM 951 CD PRO A 55 8.848 -10.658 4.611 1.00 0.00 C ATOM 0 HA PRO A 55 8.867 -7.556 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.119 -8.178 4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.622 -8.062 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.029 -10.536 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.301 -10.260 6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.997 -11.613 4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.146 -10.834 5.426 1.00 0.00 H new ATOM 959 N TRP A 56 10.509 -7.682 1.586 1.00 0.00 N ATOM 960 CA TRP A 56 11.414 -7.792 0.401 1.00 0.00 C ATOM 961 C TRP A 56 12.876 -7.723 0.873 1.00 0.00 C ATOM 962 O TRP A 56 13.157 -7.827 2.050 1.00 0.00 O ATOM 963 CB TRP A 56 11.102 -6.669 -0.616 1.00 0.00 C ATOM 964 CG TRP A 56 10.475 -5.475 0.041 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.194 -5.399 0.475 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.074 -4.178 0.312 1.00 0.00 C ATOM 967 NE1 TRP A 56 8.964 -4.123 0.971 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.099 -3.340 0.904 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.359 -3.654 0.101 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.391 -2.025 1.269 1.00 0.00 C ATOM 971 CZ3 TRP A 56 12.657 -2.335 0.468 1.00 0.00 C ATOM 972 CH2 TRP A 56 11.677 -1.520 1.051 1.00 0.00 C ATOM 0 H TRP A 56 10.120 -6.753 1.746 1.00 0.00 H new ATOM 0 HA TRP A 56 11.252 -8.747 -0.099 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.022 -6.366 -1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.432 -7.053 -1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.470 -6.200 0.441 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.068 -3.804 1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.123 -4.272 -0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.630 -1.402 1.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 13.649 -1.943 0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 56 11.914 -0.504 1.331 1.00 0.00 H new ATOM 983 N SER A 57 13.808 -7.576 -0.047 1.00 0.00 N ATOM 984 CA SER A 57 15.264 -7.532 0.323 1.00 0.00 C ATOM 985 C SER A 57 15.941 -6.332 -0.376 1.00 0.00 C ATOM 986 O SER A 57 15.302 -5.596 -1.103 1.00 0.00 O ATOM 987 CB SER A 57 15.903 -8.869 -0.122 1.00 0.00 C ATOM 988 OG SER A 57 14.865 -9.790 -0.433 1.00 0.00 O ATOM 0 H SER A 57 13.619 -7.484 -1.045 1.00 0.00 H new ATOM 0 HA SER A 57 15.392 -7.405 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.541 -8.712 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.536 -9.267 0.671 1.00 0.00 H new ATOM 0 HG SER A 57 15.258 -10.641 -0.718 1.00 0.00 H new ATOM 994 N PRO A 58 17.225 -6.129 -0.148 1.00 0.00 N ATOM 995 CA PRO A 58 17.987 -4.992 -0.757 1.00 0.00 C ATOM 996 C PRO A 58 17.761 -4.858 -2.272 1.00 0.00 C ATOM 997 O PRO A 58 18.078 -3.851 -2.872 1.00 0.00 O ATOM 998 CB PRO A 58 19.452 -5.338 -0.446 1.00 0.00 C ATOM 999 CG PRO A 58 19.375 -6.107 0.831 1.00 0.00 C ATOM 1000 CD PRO A 58 18.104 -6.952 0.714 1.00 0.00 C ATOM 0 HA PRO A 58 17.668 -4.031 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.901 -5.931 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.060 -4.440 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.255 -6.736 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.326 -5.439 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.308 -7.925 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.653 -7.137 1.689 1.00 0.00 H new ATOM 1008 N GLU A 59 17.223 -5.872 -2.885 1.00 0.00 N ATOM 1009 CA GLU A 59 16.981 -5.831 -4.347 1.00 0.00 C ATOM 1010 C GLU A 59 15.912 -4.792 -4.651 1.00 0.00 C ATOM 1011 O GLU A 59 16.073 -3.972 -5.531 1.00 0.00 O ATOM 1012 CB GLU A 59 16.508 -7.205 -4.825 1.00 0.00 C ATOM 1013 CG GLU A 59 17.615 -8.235 -4.592 1.00 0.00 C ATOM 1014 CD GLU A 59 17.177 -9.591 -5.150 1.00 0.00 C ATOM 1015 OE1 GLU A 59 16.352 -10.231 -4.519 1.00 0.00 O ATOM 1016 OE2 GLU A 59 17.675 -9.966 -6.199 1.00 0.00 O ATOM 0 H GLU A 59 16.938 -6.738 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 59 17.904 -5.567 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.605 -7.498 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.251 -7.165 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.536 -7.911 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.829 -8.320 -3.527 1.00 0.00 H new ATOM 1023 N GLU A 60 14.817 -4.800 -3.933 1.00 0.00 N ATOM 1024 CA GLU A 60 13.768 -3.805 -4.194 1.00 0.00 C ATOM 1025 C GLU A 60 14.202 -2.497 -3.515 1.00 0.00 C ATOM 1026 O GLU A 60 13.827 -1.426 -3.928 1.00 0.00 O ATOM 1027 CB GLU A 60 12.455 -4.389 -3.631 1.00 0.00 C ATOM 1028 CG GLU A 60 11.516 -3.322 -3.083 1.00 0.00 C ATOM 1029 CD GLU A 60 11.056 -2.400 -4.215 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.553 -2.553 -5.318 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.211 -1.559 -3.958 1.00 0.00 O ATOM 0 H GLU A 60 14.617 -5.458 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 60 13.612 -3.586 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.945 -4.945 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.690 -5.100 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.653 -3.792 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.022 -2.741 -2.312 1.00 0.00 H new ATOM 1038 N ASP A 61 15.004 -2.586 -2.482 1.00 0.00 N ATOM 1039 CA ASP A 61 15.465 -1.345 -1.790 1.00 0.00 C ATOM 1040 C ASP A 61 16.361 -0.545 -2.740 1.00 0.00 C ATOM 1041 O ASP A 61 16.116 0.611 -3.021 1.00 0.00 O ATOM 1042 CB ASP A 61 16.264 -1.718 -0.521 1.00 0.00 C ATOM 1043 CG ASP A 61 16.174 -0.586 0.512 1.00 0.00 C ATOM 1044 OD1 ASP A 61 15.082 -0.089 0.725 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.202 -0.239 1.070 1.00 0.00 O ATOM 0 H ASP A 61 15.357 -3.459 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 61 14.600 -0.746 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.873 -2.642 -0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.307 -1.902 -0.780 1.00 0.00 H new ATOM 1050 N MET A 62 17.404 -1.161 -3.230 1.00 0.00 N ATOM 1051 CA MET A 62 18.323 -0.450 -4.156 1.00 0.00 C ATOM 1052 C MET A 62 17.539 -0.004 -5.383 1.00 0.00 C ATOM 1053 O MET A 62 17.792 1.041 -5.950 1.00 0.00 O ATOM 1054 CB MET A 62 19.451 -1.391 -4.581 1.00 0.00 C ATOM 1055 CG MET A 62 20.304 -1.749 -3.364 1.00 0.00 C ATOM 1056 SD MET A 62 21.241 -0.295 -2.834 1.00 0.00 S ATOM 1057 CE MET A 62 22.603 -1.178 -2.035 1.00 0.00 C ATOM 0 H MET A 62 17.657 -2.128 -3.026 1.00 0.00 H new ATOM 0 HA MET A 62 18.752 0.419 -3.657 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.036 -2.295 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 62 20.068 -0.915 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.668 -2.101 -2.552 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.985 -2.563 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.314 -0.459 -1.629 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.211 -1.797 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 62 23.105 -1.811 -2.767 1.00 0.00 H new ATOM 1067 N LEU A 63 16.580 -0.787 -5.798 1.00 0.00 N ATOM 1068 CA LEU A 63 15.771 -0.401 -6.993 1.00 0.00 C ATOM 1069 C LEU A 63 14.687 0.595 -6.568 1.00 0.00 C ATOM 1070 O LEU A 63 14.265 1.434 -7.338 1.00 0.00 O ATOM 1071 CB LEU A 63 15.113 -1.645 -7.594 1.00 0.00 C ATOM 1072 CG LEU A 63 16.182 -2.605 -8.149 1.00 0.00 C ATOM 1073 CD1 LEU A 63 15.520 -3.944 -8.496 1.00 0.00 C ATOM 1074 CD2 LEU A 63 16.848 -2.015 -9.414 1.00 0.00 C ATOM 0 H LEU A 63 16.322 -1.673 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 63 16.420 0.058 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.519 -2.153 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.429 -1.353 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 63 16.952 -2.751 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.270 -4.630 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.073 -4.372 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.746 -3.783 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.599 -2.711 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.091 -1.852 -10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.324 -1.066 -9.166 1.00 0.00 H new ATOM 1086 N LEU A 64 14.243 0.514 -5.343 1.00 0.00 N ATOM 1087 CA LEU A 64 13.196 1.461 -4.859 1.00 0.00 C ATOM 1088 C LEU A 64 13.855 2.807 -4.572 1.00 0.00 C ATOM 1089 O LEU A 64 13.305 3.847 -4.847 1.00 0.00 O ATOM 1090 CB LEU A 64 12.563 0.904 -3.576 1.00 0.00 C ATOM 1091 CG LEU A 64 11.625 1.930 -2.923 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.592 2.430 -3.945 1.00 0.00 C ATOM 1093 CD2 LEU A 64 10.908 1.255 -1.749 1.00 0.00 C ATOM 0 H LEU A 64 14.560 -0.168 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 64 12.419 1.585 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.007 -0.004 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.348 0.626 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 64 12.202 2.784 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.933 3.157 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.107 2.900 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.002 1.588 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.237 1.970 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.332 0.405 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.644 0.910 -1.023 1.00 0.00 H new ATOM 1105 N ASP A 65 15.038 2.798 -4.030 1.00 0.00 N ATOM 1106 CA ASP A 65 15.733 4.084 -3.731 1.00 0.00 C ATOM 1107 C ASP A 65 15.685 4.983 -4.968 1.00 0.00 C ATOM 1108 O ASP A 65 15.693 6.193 -4.872 1.00 0.00 O ATOM 1109 CB ASP A 65 17.189 3.795 -3.369 1.00 0.00 C ATOM 1110 CG ASP A 65 17.839 5.060 -2.804 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.953 6.024 -3.544 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.210 5.044 -1.643 1.00 0.00 O ATOM 0 H ASP A 65 15.557 1.956 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 65 15.241 4.585 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.239 2.990 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.733 3.457 -4.251 1.00 0.00 H new ATOM 1117 N GLN A 66 15.631 4.392 -6.131 1.00 0.00 N ATOM 1118 CA GLN A 66 15.576 5.204 -7.383 1.00 0.00 C ATOM 1119 C GLN A 66 14.154 5.727 -7.604 1.00 0.00 C ATOM 1120 O GLN A 66 13.954 6.872 -7.957 1.00 0.00 O ATOM 1121 CB GLN A 66 15.998 4.334 -8.573 1.00 0.00 C ATOM 1122 CG GLN A 66 16.230 5.218 -9.804 1.00 0.00 C ATOM 1123 CD GLN A 66 17.508 6.037 -9.616 1.00 0.00 C ATOM 1124 OE1 GLN A 66 17.450 7.215 -9.322 1.00 0.00 O ATOM 1125 NE2 GLN A 66 18.667 5.461 -9.772 1.00 0.00 N ATOM 0 H GLN A 66 15.623 3.381 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 66 16.255 6.052 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.908 3.786 -8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.227 3.593 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.311 4.600 -10.698 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.379 5.883 -9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.716 4.473 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 66 19.525 5.999 -9.647 1.00 0.00 H new ATOM 1134 N LYS A 67 13.165 4.899 -7.404 1.00 0.00 N ATOM 1135 CA LYS A 67 11.756 5.359 -7.609 1.00 0.00 C ATOM 1136 C LYS A 67 11.310 6.166 -6.388 1.00 0.00 C ATOM 1137 O LYS A 67 10.860 7.288 -6.500 1.00 0.00 O ATOM 1138 CB LYS A 67 10.843 4.143 -7.794 1.00 0.00 C ATOM 1139 CG LYS A 67 11.474 3.183 -8.806 1.00 0.00 C ATOM 1140 CD LYS A 67 10.476 2.075 -9.149 1.00 0.00 C ATOM 1141 CE LYS A 67 11.088 1.145 -10.198 1.00 0.00 C ATOM 1142 NZ LYS A 67 12.260 0.435 -9.612 1.00 0.00 N ATOM 0 H LYS A 67 13.268 3.928 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 67 11.697 5.986 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.695 3.637 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.860 4.462 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.757 3.724 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.386 2.751 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.220 1.511 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.550 2.509 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.345 0.423 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.397 1.719 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.497 -0.389 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.074 1.081 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.027 0.117 -8.650 1.00 0.00 H new ATOM 1156 N TYR A 68 11.450 5.605 -5.217 1.00 0.00 N ATOM 1157 CA TYR A 68 11.058 6.330 -3.970 1.00 0.00 C ATOM 1158 C TYR A 68 11.688 7.729 -4.003 1.00 0.00 C ATOM 1159 O TYR A 68 11.075 8.713 -3.651 1.00 0.00 O ATOM 1160 CB TYR A 68 11.564 5.531 -2.750 1.00 0.00 C ATOM 1161 CG TYR A 68 11.689 6.426 -1.533 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.845 7.194 -1.358 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.655 6.490 -0.593 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.971 8.026 -0.242 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.780 7.323 0.524 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.938 8.092 0.700 1.00 0.00 C ATOM 1167 OH TYR A 68 12.060 8.913 1.802 1.00 0.00 O ATOM 0 H TYR A 68 11.822 4.667 -5.068 1.00 0.00 H new ATOM 0 HA TYR A 68 9.975 6.429 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.877 4.712 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.531 5.084 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.641 7.144 -2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.762 5.898 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.865 8.617 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.983 7.373 1.251 1.00 0.00 H new ATOM 0 HH TYR A 68 12.183 8.366 2.606 1.00 0.00 H new ATOM 1177 N ALA A 69 12.908 7.818 -4.440 1.00 0.00 N ATOM 1178 CA ALA A 69 13.573 9.144 -4.517 1.00 0.00 C ATOM 1179 C ALA A 69 12.681 10.084 -5.335 1.00 0.00 C ATOM 1180 O ALA A 69 12.649 11.280 -5.118 1.00 0.00 O ATOM 1181 CB ALA A 69 14.934 8.977 -5.202 1.00 0.00 C ATOM 0 H ALA A 69 13.476 7.028 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 69 13.725 9.560 -3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.431 9.945 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.550 8.289 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.789 8.578 -6.206 1.00 0.00 H new ATOM 1187 N GLU A 70 11.949 9.537 -6.274 1.00 0.00 N ATOM 1188 CA GLU A 70 11.039 10.362 -7.121 1.00 0.00 C ATOM 1189 C GLU A 70 9.634 10.386 -6.508 1.00 0.00 C ATOM 1190 O GLU A 70 9.063 11.434 -6.278 1.00 0.00 O ATOM 1191 CB GLU A 70 10.970 9.746 -8.521 1.00 0.00 C ATOM 1192 CG GLU A 70 12.303 9.959 -9.241 1.00 0.00 C ATOM 1193 CD GLU A 70 12.288 9.210 -10.574 1.00 0.00 C ATOM 1194 OE1 GLU A 70 11.210 8.850 -11.017 1.00 0.00 O ATOM 1195 OE2 GLU A 70 13.355 9.007 -11.129 1.00 0.00 O ATOM 0 H GLU A 70 11.945 8.540 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 70 11.420 11.381 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.749 8.681 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.160 10.202 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.471 11.022 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.125 9.602 -8.620 1.00 0.00 H new ATOM 1202 N TYR A 71 9.063 9.232 -6.261 1.00 0.00 N ATOM 1203 CA TYR A 71 7.686 9.181 -5.687 1.00 0.00 C ATOM 1204 C TYR A 71 7.713 9.498 -4.192 1.00 0.00 C ATOM 1205 O TYR A 71 6.887 10.235 -3.692 1.00 0.00 O ATOM 1206 CB TYR A 71 7.107 7.783 -5.908 1.00 0.00 C ATOM 1207 CG TYR A 71 6.970 7.524 -7.391 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.824 7.953 -8.072 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.987 6.857 -8.086 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.695 7.714 -9.445 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.858 6.618 -9.459 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.711 7.047 -10.139 1.00 0.00 C ATOM 1213 OH TYR A 71 6.583 6.812 -11.493 1.00 0.00 O ATOM 0 H TYR A 71 9.493 8.323 -6.433 1.00 0.00 H new ATOM 0 HA TYR A 71 7.064 9.926 -6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.756 7.033 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.135 7.699 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.040 8.468 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.872 6.527 -7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.811 8.045 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.642 6.103 -9.994 1.00 0.00 H new ATOM 0 HH TYR A 71 7.377 6.340 -11.820 1.00 0.00 H new ATOM 1223 N GLY A 72 8.650 8.951 -3.472 1.00 0.00 N ATOM 1224 CA GLY A 72 8.729 9.220 -2.003 1.00 0.00 C ATOM 1225 C GLY A 72 7.915 8.159 -1.260 1.00 0.00 C ATOM 1226 O GLY A 72 7.621 7.112 -1.803 1.00 0.00 O ATOM 0 H GLY A 72 9.369 8.326 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.767 9.199 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.343 10.215 -1.781 1.00 0.00 H new ATOM 1230 N PRO A 73 7.552 8.414 -0.029 1.00 0.00 N ATOM 1231 CA PRO A 73 6.759 7.446 0.783 1.00 0.00 C ATOM 1232 C PRO A 73 5.383 7.143 0.168 1.00 0.00 C ATOM 1233 O PRO A 73 4.472 6.729 0.855 1.00 0.00 O ATOM 1234 CB PRO A 73 6.615 8.130 2.164 1.00 0.00 C ATOM 1235 CG PRO A 73 7.676 9.195 2.185 1.00 0.00 C ATOM 1236 CD PRO A 73 7.854 9.636 0.730 1.00 0.00 C ATOM 0 HA PRO A 73 7.254 6.477 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.621 8.561 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.757 7.416 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.376 10.033 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.610 8.809 2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.177 10.450 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.867 9.990 0.537 1.00 0.00 H new ATOM 1244 N LYS A 74 5.224 7.330 -1.117 1.00 0.00 N ATOM 1245 CA LYS A 74 3.907 7.033 -1.748 1.00 0.00 C ATOM 1246 C LYS A 74 3.850 5.540 -2.054 1.00 0.00 C ATOM 1247 O LYS A 74 3.809 5.129 -3.196 1.00 0.00 O ATOM 1248 CB LYS A 74 3.778 7.827 -3.045 1.00 0.00 C ATOM 1249 CG LYS A 74 3.547 9.306 -2.724 1.00 0.00 C ATOM 1250 CD LYS A 74 3.412 10.097 -4.025 1.00 0.00 C ATOM 1251 CE LYS A 74 3.198 11.577 -3.704 1.00 0.00 C ATOM 1252 NZ LYS A 74 2.034 11.722 -2.783 1.00 0.00 N ATOM 0 H LYS A 74 5.945 7.673 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 74 3.093 7.310 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.681 7.712 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.950 7.440 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.646 9.421 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.377 9.695 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.308 9.972 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.574 9.716 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.094 11.994 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.021 12.138 -4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.654 12.687 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.295 11.039 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.340 11.541 -1.806 1.00 0.00 H new ATOM 1266 N TRP A 75 3.860 4.723 -1.038 1.00 0.00 N ATOM 1267 CA TRP A 75 3.823 3.255 -1.258 1.00 0.00 C ATOM 1268 C TRP A 75 2.646 2.901 -2.174 1.00 0.00 C ATOM 1269 O TRP A 75 2.525 1.791 -2.649 1.00 0.00 O ATOM 1270 CB TRP A 75 3.677 2.541 0.094 1.00 0.00 C ATOM 1271 CG TRP A 75 4.437 3.284 1.152 1.00 0.00 C ATOM 1272 CD1 TRP A 75 3.886 3.821 2.265 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.864 3.584 1.220 1.00 0.00 C ATOM 1274 NE1 TRP A 75 4.886 4.402 3.025 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.119 4.289 2.422 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.953 3.313 0.373 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.405 4.702 2.772 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.248 3.733 0.721 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.474 4.424 1.918 1.00 0.00 C ATOM 0 H TRP A 75 3.892 5.013 -0.061 1.00 0.00 H new ATOM 0 HA TRP A 75 4.749 2.932 -1.734 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.624 2.477 0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.049 1.519 0.017 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.837 3.800 2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.729 4.859 3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.793 2.778 -0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.572 5.233 3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.076 3.521 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.473 4.741 2.180 1.00 0.00 H new ATOM 1290 N ASN A 76 1.786 3.845 -2.427 1.00 0.00 N ATOM 1291 CA ASN A 76 0.621 3.580 -3.314 1.00 0.00 C ATOM 1292 C ASN A 76 1.121 3.410 -4.745 1.00 0.00 C ATOM 1293 O ASN A 76 0.615 2.604 -5.503 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.353 4.758 -3.247 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.531 4.502 -4.190 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.740 3.390 -4.632 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -2.315 5.493 -4.519 1.00 0.00 N ATOM 0 H ASN A 76 1.840 4.794 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 76 0.108 2.674 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.712 4.889 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.156 5.681 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.103 5.333 -5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.140 6.427 -4.148 1.00 0.00 H new ATOM 1304 N LYS A 77 2.127 4.156 -5.118 1.00 0.00 N ATOM 1305 CA LYS A 77 2.683 4.037 -6.494 1.00 0.00 C ATOM 1306 C LYS A 77 3.676 2.880 -6.507 1.00 0.00 C ATOM 1307 O LYS A 77 3.789 2.149 -7.470 1.00 0.00 O ATOM 1308 CB LYS A 77 3.417 5.328 -6.863 1.00 0.00 C ATOM 1309 CG LYS A 77 2.468 6.537 -6.759 1.00 0.00 C ATOM 1310 CD LYS A 77 1.525 6.591 -7.971 1.00 0.00 C ATOM 1311 CE LYS A 77 0.787 7.932 -7.981 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.094 8.005 -9.181 1.00 0.00 N ATOM 0 H LYS A 77 2.588 4.845 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 77 1.880 3.862 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.271 5.470 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.810 5.253 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.885 6.470 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.048 7.458 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.093 6.469 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.810 5.770 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.193 8.039 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.503 8.753 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.596 8.916 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.484 7.921 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.786 7.229 -9.152 1.00 0.00 H new ATOM 1326 N ILE A 78 4.396 2.714 -5.434 1.00 0.00 N ATOM 1327 CA ILE A 78 5.385 1.609 -5.365 1.00 0.00 C ATOM 1328 C ILE A 78 4.640 0.273 -5.321 1.00 0.00 C ATOM 1329 O ILE A 78 4.888 -0.613 -6.107 1.00 0.00 O ATOM 1330 CB ILE A 78 6.233 1.775 -4.096 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.628 3.251 -3.920 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.494 0.912 -4.194 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.245 3.804 -5.210 1.00 0.00 C ATOM 0 H ILE A 78 4.340 3.299 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 78 6.035 1.631 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 78 5.647 1.455 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.750 3.838 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.340 3.347 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.090 1.035 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.211 -0.135 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.080 1.221 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.517 4.849 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.136 3.229 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.521 3.728 -6.021 1.00 0.00 H new ATOM 1345 N SER A 79 3.726 0.127 -4.402 1.00 0.00 N ATOM 1346 CA SER A 79 2.959 -1.151 -4.304 1.00 0.00 C ATOM 1347 C SER A 79 2.420 -1.559 -5.678 1.00 0.00 C ATOM 1348 O SER A 79 2.160 -2.720 -5.930 1.00 0.00 O ATOM 1349 CB SER A 79 1.794 -0.977 -3.330 1.00 0.00 C ATOM 1350 OG SER A 79 0.819 -0.122 -3.911 1.00 0.00 O ATOM 0 H SER A 79 3.476 0.837 -3.713 1.00 0.00 H new ATOM 0 HA SER A 79 3.627 -1.933 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.352 -1.946 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.151 -0.555 -2.390 1.00 0.00 H new ATOM 0 HG SER A 79 1.034 0.811 -3.700 1.00 0.00 H new ATOM 1356 N LYS A 80 2.246 -0.623 -6.570 1.00 0.00 N ATOM 1357 CA LYS A 80 1.721 -0.969 -7.923 1.00 0.00 C ATOM 1358 C LYS A 80 2.857 -1.548 -8.761 1.00 0.00 C ATOM 1359 O LYS A 80 2.637 -2.233 -9.740 1.00 0.00 O ATOM 1360 CB LYS A 80 1.166 0.289 -8.602 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.163 0.682 -7.945 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.638 2.034 -8.494 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.012 1.913 -9.980 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.889 3.055 -10.361 1.00 0.00 N ATOM 0 H LYS A 80 2.444 0.366 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 80 0.920 -1.703 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.882 1.107 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.017 0.105 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.915 -0.083 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.040 0.742 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.499 2.382 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.148 2.779 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.112 1.910 -10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.525 0.969 -10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.144 2.976 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.753 3.038 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.383 3.950 -10.201 1.00 0.00 H new ATOM 1378 N PHE A 81 4.076 -1.279 -8.377 1.00 0.00 N ATOM 1379 CA PHE A 81 5.245 -1.810 -9.136 1.00 0.00 C ATOM 1380 C PHE A 81 5.656 -3.147 -8.513 1.00 0.00 C ATOM 1381 O PHE A 81 6.485 -3.865 -9.036 1.00 0.00 O ATOM 1382 CB PHE A 81 6.401 -0.799 -9.034 1.00 0.00 C ATOM 1383 CG PHE A 81 6.213 0.308 -10.056 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.306 0.012 -11.422 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.946 1.623 -9.644 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.134 1.025 -12.374 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.774 2.634 -10.597 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.868 2.335 -11.961 1.00 0.00 C ATOM 0 H PHE A 81 4.314 -0.710 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 81 4.993 -1.959 -10.186 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.438 -0.376 -8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.352 -1.303 -9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.511 -0.999 -11.742 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.873 1.855 -8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.207 0.795 -13.427 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.569 3.646 -10.279 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.735 3.116 -12.695 1.00 0.00 H new ATOM 1398 N LEU A 82 5.070 -3.474 -7.393 1.00 0.00 N ATOM 1399 CA LEU A 82 5.388 -4.753 -6.687 1.00 0.00 C ATOM 1400 C LEU A 82 4.221 -5.727 -6.889 1.00 0.00 C ATOM 1401 O LEU A 82 4.352 -6.735 -7.553 1.00 0.00 O ATOM 1402 CB LEU A 82 5.556 -4.447 -5.188 1.00 0.00 C ATOM 1403 CG LEU A 82 6.970 -3.890 -4.873 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.434 -2.877 -5.931 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.935 -3.189 -3.510 1.00 0.00 C ATOM 0 H LEU A 82 4.369 -2.898 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 82 6.303 -5.197 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.802 -3.724 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.385 -5.355 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 82 7.668 -4.727 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.428 -2.511 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.467 -3.360 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.737 -2.040 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.924 -2.794 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.215 -2.371 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.641 -3.903 -2.741 1.00 0.00 H new ATOM 1417 N LYS A 83 3.083 -5.427 -6.316 1.00 0.00 N ATOM 1418 CA LYS A 83 1.895 -6.315 -6.459 1.00 0.00 C ATOM 1419 C LYS A 83 2.103 -7.544 -5.581 1.00 0.00 C ATOM 1420 O LYS A 83 1.320 -8.474 -5.595 1.00 0.00 O ATOM 1421 CB LYS A 83 1.729 -6.715 -7.944 1.00 0.00 C ATOM 1422 CG LYS A 83 0.241 -6.882 -8.308 1.00 0.00 C ATOM 1423 CD LYS A 83 0.093 -7.056 -9.828 1.00 0.00 C ATOM 1424 CE LYS A 83 0.501 -5.765 -10.573 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.270 -5.669 -11.844 1.00 0.00 N ATOM 0 H LYS A 83 2.927 -4.594 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 83 0.988 -5.800 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.180 -5.955 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.261 -7.647 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.174 -7.747 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.324 -6.011 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.713 -7.887 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.939 -7.310 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.306 -4.893 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.571 -5.774 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.001 -4.801 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.062 -6.496 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.288 -5.642 -11.632 1.00 0.00 H new ATOM 1439 N ASN A 84 3.164 -7.540 -4.810 1.00 0.00 N ATOM 1440 CA ASN A 84 3.469 -8.685 -3.902 1.00 0.00 C ATOM 1441 C ASN A 84 3.498 -8.178 -2.462 1.00 0.00 C ATOM 1442 O ASN A 84 3.267 -8.920 -1.528 1.00 0.00 O ATOM 1443 CB ASN A 84 4.838 -9.265 -4.263 1.00 0.00 C ATOM 1444 CG ASN A 84 4.783 -9.883 -5.662 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.774 -10.378 -6.160 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.656 -9.874 -6.322 1.00 0.00 N ATOM 0 H ASN A 84 3.841 -6.778 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 84 2.708 -9.458 -4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.596 -8.482 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.128 -10.020 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.608 -10.283 -7.255 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.824 -9.458 -5.904 1.00 0.00 H new ATOM 1453 N ARG A 85 3.780 -6.911 -2.284 1.00 0.00 N ATOM 1454 CA ARG A 85 3.832 -6.312 -0.910 1.00 0.00 C ATOM 1455 C ARG A 85 2.614 -5.407 -0.725 1.00 0.00 C ATOM 1456 O ARG A 85 1.807 -5.243 -1.619 1.00 0.00 O ATOM 1457 CB ARG A 85 5.121 -5.479 -0.745 1.00 0.00 C ATOM 1458 CG ARG A 85 6.291 -6.145 -1.485 1.00 0.00 C ATOM 1459 CD ARG A 85 6.571 -7.536 -0.900 1.00 0.00 C ATOM 1460 NE ARG A 85 7.948 -7.959 -1.295 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.276 -9.225 -1.305 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.398 -10.130 -0.975 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.484 -9.583 -1.647 1.00 0.00 N ATOM 0 H ARG A 85 3.979 -6.257 -3.041 1.00 0.00 H new ATOM 0 HA ARG A 85 3.828 -7.106 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.963 -4.473 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.363 -5.378 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.057 -6.230 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.182 -5.523 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.481 -7.513 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.837 -8.254 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 85 8.638 -7.255 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.454 -9.851 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.655 -11.117 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.171 -8.875 -1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.740 -10.570 -1.655 1.00 0.00 H new ATOM 1477 N SER A 86 2.487 -4.820 0.436 1.00 0.00 N ATOM 1478 CA SER A 86 1.342 -3.911 0.728 1.00 0.00 C ATOM 1479 C SER A 86 1.902 -2.582 1.207 1.00 0.00 C ATOM 1480 O SER A 86 2.993 -2.501 1.731 1.00 0.00 O ATOM 1481 CB SER A 86 0.468 -4.529 1.829 1.00 0.00 C ATOM 1482 OG SER A 86 -0.022 -3.506 2.689 1.00 0.00 O ATOM 0 H SER A 86 3.143 -4.936 1.209 1.00 0.00 H new ATOM 0 HA SER A 86 0.736 -3.764 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.366 -5.071 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.048 -5.252 2.403 1.00 0.00 H new ATOM 0 HG SER A 86 -0.538 -2.858 2.165 1.00 0.00 H new ATOM 1488 N ASP A 87 1.157 -1.544 1.037 1.00 0.00 N ATOM 1489 CA ASP A 87 1.632 -0.208 1.479 1.00 0.00 C ATOM 1490 C ASP A 87 1.931 -0.271 2.971 1.00 0.00 C ATOM 1491 O ASP A 87 2.732 0.479 3.494 1.00 0.00 O ATOM 1492 CB ASP A 87 0.557 0.845 1.200 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.796 0.341 1.705 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.804 -0.604 2.477 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.802 0.909 1.312 1.00 0.00 O ATOM 0 H ASP A 87 0.231 -1.556 0.608 1.00 0.00 H new ATOM 0 HA ASP A 87 2.534 0.068 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.815 1.782 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.504 1.051 0.131 1.00 0.00 H new ATOM 1500 N ASN A 88 1.301 -1.183 3.656 1.00 0.00 N ATOM 1501 CA ASN A 88 1.547 -1.335 5.113 1.00 0.00 C ATOM 1502 C ASN A 88 2.843 -2.118 5.306 1.00 0.00 C ATOM 1503 O ASN A 88 3.549 -1.949 6.280 1.00 0.00 O ATOM 1504 CB ASN A 88 0.386 -2.106 5.742 1.00 0.00 C ATOM 1505 CG ASN A 88 0.496 -2.050 7.266 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.399 -1.437 7.800 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -0.393 -2.668 7.996 1.00 0.00 N ATOM 0 H ASN A 88 0.621 -1.834 3.264 1.00 0.00 H new ATOM 0 HA ASN A 88 1.628 -0.357 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.564 -1.679 5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.400 -3.142 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.329 -2.636 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.151 -3.183 7.549 1.00 0.00 H new ATOM 1514 N ASN A 89 3.164 -2.976 4.371 1.00 0.00 N ATOM 1515 CA ASN A 89 4.412 -3.772 4.475 1.00 0.00 C ATOM 1516 C ASN A 89 5.571 -2.926 3.958 1.00 0.00 C ATOM 1517 O ASN A 89 6.595 -2.794 4.590 1.00 0.00 O ATOM 1518 CB ASN A 89 4.267 -5.024 3.609 1.00 0.00 C ATOM 1519 CG ASN A 89 5.433 -5.975 3.883 1.00 0.00 C ATOM 1520 OD1 ASN A 89 5.744 -6.262 5.022 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.096 -6.481 2.879 1.00 0.00 N ATOM 0 H ASN A 89 2.607 -3.156 3.536 1.00 0.00 H new ATOM 0 HA ASN A 89 4.599 -4.061 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.321 -5.520 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.249 -4.749 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.875 -7.117 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.835 -6.240 1.923 1.00 0.00 H new ATOM 1528 N ILE A 90 5.407 -2.349 2.808 1.00 0.00 N ATOM 1529 CA ILE A 90 6.490 -1.511 2.232 1.00 0.00 C ATOM 1530 C ILE A 90 6.885 -0.430 3.238 1.00 0.00 C ATOM 1531 O ILE A 90 8.030 -0.322 3.629 1.00 0.00 O ATOM 1532 CB ILE A 90 5.994 -0.879 0.931 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.627 -1.998 -0.039 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.098 -0.016 0.311 1.00 0.00 C ATOM 1535 CD1 ILE A 90 4.941 -1.417 -1.269 1.00 0.00 C ATOM 0 H ILE A 90 4.565 -2.421 2.237 1.00 0.00 H new ATOM 0 HA ILE A 90 7.366 -2.124 2.017 1.00 0.00 H new ATOM 0 HB ILE A 90 5.127 -0.250 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.524 -2.542 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.967 -2.714 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.735 0.430 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.377 0.774 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.968 -0.637 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.683 -2.223 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.034 -0.893 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.615 -0.719 -1.766 1.00 0.00 H new ATOM 1547 N ARG A 91 5.945 0.360 3.672 1.00 0.00 N ATOM 1548 CA ARG A 91 6.262 1.422 4.668 1.00 0.00 C ATOM 1549 C ARG A 91 6.988 0.786 5.852 1.00 0.00 C ATOM 1550 O ARG A 91 7.832 1.391 6.484 1.00 0.00 O ATOM 1551 CB ARG A 91 4.957 2.055 5.158 1.00 0.00 C ATOM 1552 CG ARG A 91 5.260 3.300 6.004 1.00 0.00 C ATOM 1553 CD ARG A 91 4.006 3.710 6.780 1.00 0.00 C ATOM 1554 NE ARG A 91 4.207 5.062 7.372 1.00 0.00 N ATOM 1555 CZ ARG A 91 3.296 5.574 8.155 1.00 0.00 C ATOM 1556 NH1 ARG A 91 2.208 4.903 8.419 1.00 0.00 N ATOM 1557 NH2 ARG A 91 3.473 6.759 8.673 1.00 0.00 N ATOM 0 H ARG A 91 4.969 0.317 3.380 1.00 0.00 H new ATOM 0 HA ARG A 91 6.892 2.186 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.334 2.327 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.393 1.333 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.076 3.092 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.586 4.118 5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.141 3.717 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.799 2.984 7.566 1.00 0.00 H new ATOM 0 HE ARG A 91 5.056 5.588 7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.069 3.977 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.497 5.304 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.322 7.284 8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.762 7.160 9.285 1.00 0.00 H new ATOM 1571 N ASN A 92 6.647 -0.432 6.157 1.00 0.00 N ATOM 1572 CA ASN A 92 7.291 -1.131 7.307 1.00 0.00 C ATOM 1573 C ASN A 92 8.709 -1.568 6.928 1.00 0.00 C ATOM 1574 O ASN A 92 9.630 -1.439 7.710 1.00 0.00 O ATOM 1575 CB ASN A 92 6.458 -2.358 7.691 1.00 0.00 C ATOM 1576 CG ASN A 92 6.928 -2.896 9.045 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.037 -4.091 9.233 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.209 -2.057 10.005 1.00 0.00 N ATOM 0 H ASN A 92 5.946 -0.979 5.658 1.00 0.00 H new ATOM 0 HA ASN A 92 7.346 -0.448 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.402 -2.092 7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.556 -3.130 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.520 -2.405 10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.118 -1.053 9.848 1.00 0.00 H new ATOM 1585 N ARG A 93 8.901 -2.087 5.743 1.00 0.00 N ATOM 1586 CA ARG A 93 10.273 -2.524 5.350 1.00 0.00 C ATOM 1587 C ARG A 93 11.136 -1.278 5.114 1.00 0.00 C ATOM 1588 O ARG A 93 12.264 -1.202 5.555 1.00 0.00 O ATOM 1589 CB ARG A 93 10.198 -3.379 4.063 1.00 0.00 C ATOM 1590 CG ARG A 93 10.050 -4.877 4.405 1.00 0.00 C ATOM 1591 CD ARG A 93 8.919 -5.108 5.430 1.00 0.00 C ATOM 1592 NE ARG A 93 9.485 -5.080 6.809 1.00 0.00 N ATOM 1593 CZ ARG A 93 8.777 -5.516 7.816 1.00 0.00 C ATOM 1594 NH1 ARG A 93 7.572 -5.976 7.616 1.00 0.00 N ATOM 1595 NH2 ARG A 93 9.273 -5.491 9.023 1.00 0.00 N ATOM 0 H ARG A 93 8.177 -2.226 5.038 1.00 0.00 H new ATOM 0 HA ARG A 93 10.716 -3.129 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.353 -3.055 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.097 -3.225 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.841 -5.441 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.990 -5.256 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.154 -4.339 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.435 -6.067 5.243 1.00 0.00 H new ATOM 0 HE ARG A 93 10.426 -4.720 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.183 -5.995 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.019 -6.317 8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.214 -5.131 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.719 -5.832 9.809 1.00 0.00 H new ATOM 1609 N TRP A 94 10.612 -0.299 4.433 1.00 0.00 N ATOM 1610 CA TRP A 94 11.405 0.937 4.183 1.00 0.00 C ATOM 1611 C TRP A 94 11.754 1.587 5.523 1.00 0.00 C ATOM 1612 O TRP A 94 12.842 2.092 5.713 1.00 0.00 O ATOM 1613 CB TRP A 94 10.582 1.912 3.339 1.00 0.00 C ATOM 1614 CG TRP A 94 11.376 3.155 3.097 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.114 3.402 1.991 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.526 4.320 3.958 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.708 4.646 2.118 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.375 5.251 3.313 1.00 0.00 C ATOM 1619 CE3 TRP A 94 11.012 4.658 5.223 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.703 6.472 3.903 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.340 5.887 5.819 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.183 6.792 5.161 1.00 0.00 C ATOM 0 H TRP A 94 9.671 -0.300 4.039 1.00 0.00 H new ATOM 0 HA TRP A 94 12.320 0.684 3.648 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.312 1.450 2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.651 2.156 3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.222 2.737 1.147 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.317 5.064 1.415 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.361 3.968 5.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.354 7.165 3.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.940 6.136 6.791 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.431 7.735 5.625 1.00 0.00 H new ATOM 1633 N MET A 95 10.839 1.577 6.453 1.00 0.00 N ATOM 1634 CA MET A 95 11.117 2.193 7.780 1.00 0.00 C ATOM 1635 C MET A 95 12.097 1.310 8.557 1.00 0.00 C ATOM 1636 O MET A 95 12.908 1.793 9.322 1.00 0.00 O ATOM 1637 CB MET A 95 9.811 2.320 8.567 1.00 0.00 C ATOM 1638 CG MET A 95 10.090 2.986 9.916 1.00 0.00 C ATOM 1639 SD MET A 95 8.522 3.385 10.728 1.00 0.00 S ATOM 1640 CE MET A 95 8.255 1.775 11.511 1.00 0.00 C ATOM 0 H MET A 95 9.910 1.168 6.351 1.00 0.00 H new ATOM 0 HA MET A 95 11.553 3.182 7.637 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.089 2.909 8.001 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.369 1.335 8.720 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.680 2.321 10.547 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.678 3.892 9.771 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.323 1.795 12.077 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.197 1.003 10.744 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.084 1.556 12.184 1.00 0.00 H new ATOM 1650 N MET A 96 12.034 0.019 8.363 1.00 0.00 N ATOM 1651 CA MET A 96 12.965 -0.893 9.083 1.00 0.00 C ATOM 1652 C MET A 96 14.312 -0.879 8.367 1.00 0.00 C ATOM 1653 O MET A 96 15.355 -1.018 8.975 1.00 0.00 O ATOM 1654 CB MET A 96 12.397 -2.314 9.075 1.00 0.00 C ATOM 1655 CG MET A 96 13.293 -3.228 9.912 1.00 0.00 C ATOM 1656 SD MET A 96 12.553 -4.877 10.006 1.00 0.00 S ATOM 1657 CE MET A 96 14.036 -5.762 10.544 1.00 0.00 C ATOM 0 H MET A 96 11.376 -0.442 7.735 1.00 0.00 H new ATOM 0 HA MET A 96 13.087 -0.563 10.115 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.384 -2.314 9.477 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.335 -2.686 8.052 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.286 -3.288 9.467 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.417 -2.816 10.913 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.804 -6.820 10.667 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.820 -5.647 9.795 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.379 -5.353 11.494 1.00 0.00 H new ATOM 1667 N ILE A 97 14.294 -0.704 7.072 1.00 0.00 N ATOM 1668 CA ILE A 97 15.564 -0.669 6.298 1.00 0.00 C ATOM 1669 C ILE A 97 16.136 0.748 6.357 1.00 0.00 C ATOM 1670 O ILE A 97 17.334 0.947 6.364 1.00 0.00 O ATOM 1671 CB ILE A 97 15.282 -1.063 4.842 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.851 -2.536 4.790 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.545 -0.870 3.993 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.281 -2.857 3.407 1.00 0.00 C ATOM 0 H ILE A 97 13.447 -0.583 6.516 1.00 0.00 H new ATOM 0 HA ILE A 97 16.284 -1.370 6.721 1.00 0.00 H new ATOM 0 HB ILE A 97 14.487 -0.432 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.703 -3.182 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.103 -2.733 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.336 -1.152 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.851 0.176 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.346 -1.496 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 97 13.976 -3.903 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.418 -2.221 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.043 -2.676 2.649 1.00 0.00 H new ATOM 1686 N ALA A 98 15.283 1.736 6.408 1.00 0.00 N ATOM 1687 CA ALA A 98 15.770 3.140 6.477 1.00 0.00 C ATOM 1688 C ALA A 98 16.284 3.417 7.888 1.00 0.00 C ATOM 1689 O ALA A 98 17.003 4.368 8.126 1.00 0.00 O ATOM 1690 CB ALA A 98 14.624 4.101 6.152 1.00 0.00 C ATOM 0 H ALA A 98 14.269 1.629 6.405 1.00 0.00 H new ATOM 0 HA ALA A 98 16.573 3.286 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.985 5.128 6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.252 3.897 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.818 3.963 6.873 1.00 0.00 H new ATOM 1696 N ARG A 99 15.919 2.587 8.827 1.00 0.00 N ATOM 1697 CA ARG A 99 16.381 2.789 10.224 1.00 0.00 C ATOM 1698 C ARG A 99 17.858 2.421 10.313 1.00 0.00 C ATOM 1699 O ARG A 99 18.559 2.826 11.220 1.00 0.00 O ATOM 1700 CB ARG A 99 15.572 1.895 11.166 1.00 0.00 C ATOM 1701 CG ARG A 99 15.998 2.156 12.612 1.00 0.00 C ATOM 1702 CD ARG A 99 15.082 1.383 13.562 1.00 0.00 C ATOM 1703 NE ARG A 99 15.617 1.471 14.951 1.00 0.00 N ATOM 1704 CZ ARG A 99 15.163 0.672 15.879 1.00 0.00 C ATOM 1705 NH1 ARG A 99 14.241 -0.206 15.591 1.00 0.00 N ATOM 1706 NH2 ARG A 99 15.631 0.751 17.094 1.00 0.00 N ATOM 0 H ARG A 99 15.318 1.775 8.683 1.00 0.00 H new ATOM 0 HA ARG A 99 16.241 3.831 10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.507 2.095 11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.729 0.846 10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.034 1.849 12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.948 3.223 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.072 1.792 13.523 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.016 0.340 13.252 1.00 0.00 H new ATOM 0 HE ARG A 99 16.338 2.156 15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.875 -0.268 14.641 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.887 -0.830 16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.352 1.437 17.319 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.276 0.127 17.819 1.00 0.00 H new