USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 806 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 88 HIS : no HD1:sc= -6.41! K(o=-11!,f=-4.2) USER MOD Set 1.2: A 89 ASN : amide:sc= -4.17 K(o=-11,f=-4.2) USER MOD Set 2.1: A 29 MET CE :methyl -156:sc= -0.0695 (180deg=-0.165) USER MOD Set 2.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 79 MET CE :methyl 173:sc= -5.19! (180deg=-5.75!) USER MOD Set 3.1: A 15 MET CE :methyl 145:sc= -7.98! (180deg=-11!) USER MOD Set 3.2: A 20 MET CE :methyl -134:sc= -5.83! (180deg=-10!) USER MOD Set 4.1: A 7 THR OG1 : rot 166:sc= 0.965 USER MOD Set 4.2: A 13 GLN : amide:sc= -0.997 K(o=-0.032,f=-5.2!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -150:sc= 0.00337 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.92! K(o=-3.9!,f=-1.6) USER MOD Single : A 22 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.46) USER MOD Single : A 23 HIS : no HD1:sc= -0.0219 K(o=-0.022,f=-3.7!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 1.26 (180deg=0.688) USER MOD Single : A 31 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.27) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-1.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0345 K(o=-0.035,f=-0.81) USER MOD Single : A 53 MET CE :methyl 130:sc= -0.0262 (180deg=-0.286) USER MOD Single : A 54 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.47) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 155:sc= -2.78! (180deg=-5.02!) USER MOD Single : A 68 MET CE :methyl -132:sc= 0 (180deg=-0.421) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -99:sc= -18.3! (180deg=-27.2!) USER MOD Single : A 72 ASN : amide:sc= -0.796 K(o=-0.8,f=-5.1!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -125:sc= -0.479 (180deg=-2.45!) USER MOD Single : A 85 SER OG : rot -33:sc= 0.0957 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.93 K(o=0.93,f=-0.18) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 68:sc= 0.261 USER MOD Single : A 99 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1.3) USER MOD Single : A 102 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.8!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 14.957 9.897 -5.680 1.00 0.00 N ATOM 2 CA PRO A 1 15.385 8.601 -6.289 1.00 0.00 C ATOM 3 C PRO A 1 16.332 8.782 -7.484 1.00 0.00 C ATOM 4 O PRO A 1 16.666 9.907 -7.847 1.00 0.00 O ATOM 5 CB PRO A 1 14.135 7.786 -6.672 1.00 0.00 C ATOM 6 CG PRO A 1 13.026 8.824 -6.806 1.00 0.00 C ATOM 7 CD PRO A 1 13.564 10.111 -6.175 1.00 0.00 C ATOM 0 H2 PRO A 1 15.572 10.660 -5.964 1.00 0.00 H new ATOM 0 H3 PRO A 1 14.985 9.854 -4.661 1.00 0.00 H new ATOM 0 HA PRO A 1 15.963 8.053 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 1 14.286 7.244 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 1 13.895 7.046 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 1 12.767 8.983 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 1 12.119 8.492 -6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 1 13.550 10.918 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 1 12.920 10.418 -5.351 1.00 0.00 H new ATOM 15 N TYR A 2 16.795 7.668 -8.039 1.00 0.00 N ATOM 16 CA TYR A 2 17.740 7.665 -9.132 1.00 0.00 C ATOM 17 C TYR A 2 17.233 6.791 -10.249 1.00 0.00 C ATOM 18 O TYR A 2 17.227 7.283 -11.363 1.00 0.00 O ATOM 19 CB TYR A 2 19.084 7.142 -8.620 1.00 0.00 C ATOM 20 CG TYR A 2 19.009 5.767 -7.983 1.00 0.00 C ATOM 21 CD1 TYR A 2 18.466 5.605 -6.690 1.00 0.00 C ATOM 22 CD2 TYR A 2 19.415 4.625 -8.703 1.00 0.00 C ATOM 23 CE1 TYR A 2 18.366 4.333 -6.115 1.00 0.00 C ATOM 24 CE2 TYR A 2 19.319 3.350 -8.127 1.00 0.00 C ATOM 25 CZ TYR A 2 18.806 3.200 -6.823 1.00 0.00 C ATOM 26 OH TYR A 2 18.732 1.983 -6.249 1.00 0.00 O ATOM 0 H TYR A 2 16.517 6.735 -7.734 1.00 0.00 H new ATOM 0 HA TYR A 2 17.864 8.677 -9.517 1.00 0.00 H new ATOM 0 HB2 TYR A 2 19.789 7.108 -9.450 1.00 0.00 H new ATOM 0 HB3 TYR A 2 19.483 7.848 -7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 2 18.125 6.470 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 2 19.803 4.733 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.950 4.221 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.639 2.482 -8.684 1.00 0.00 H new ATOM 0 HH TYR A 2 19.075 1.307 -6.870 1.00 0.00 H new ATOM 36 N GLY A 3 16.789 5.562 -9.920 1.00 0.00 N ATOM 37 CA GLY A 3 16.324 4.576 -10.879 1.00 0.00 C ATOM 38 C GLY A 3 17.224 4.494 -12.111 1.00 0.00 C ATOM 39 O GLY A 3 17.057 5.218 -13.092 1.00 0.00 O ATOM 0 H GLY A 3 16.748 5.233 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 3 16.280 3.598 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.309 4.825 -11.189 1.00 0.00 H new ATOM 43 N ARG A 4 18.221 3.616 -12.058 1.00 0.00 N ATOM 44 CA ARG A 4 19.145 3.447 -13.169 1.00 0.00 C ATOM 45 C ARG A 4 19.404 1.973 -13.419 1.00 0.00 C ATOM 46 O ARG A 4 20.345 1.407 -12.875 1.00 0.00 O ATOM 47 CB ARG A 4 20.452 4.201 -12.884 1.00 0.00 C ATOM 48 CG ARG A 4 21.145 4.571 -14.199 1.00 0.00 C ATOM 49 CD ARG A 4 20.539 5.848 -14.787 1.00 0.00 C ATOM 50 NE ARG A 4 21.098 6.133 -16.119 1.00 0.00 N ATOM 51 CZ ARG A 4 20.984 7.280 -16.768 1.00 0.00 C ATOM 52 NH1 ARG A 4 20.340 8.290 -16.236 1.00 0.00 N ATOM 53 NH2 ARG A 4 21.521 7.424 -17.954 1.00 0.00 N ATOM 0 H ARG A 4 18.408 3.012 -11.257 1.00 0.00 H new ATOM 0 HA ARG A 4 18.700 3.866 -14.072 1.00 0.00 H new ATOM 0 HB2 ARG A 4 20.242 5.103 -12.308 1.00 0.00 H new ATOM 0 HB3 ARG A 4 21.113 3.582 -12.277 1.00 0.00 H new ATOM 0 HG2 ARG A 4 22.212 4.714 -14.026 1.00 0.00 H new ATOM 0 HG3 ARG A 4 21.045 3.753 -14.912 1.00 0.00 H new ATOM 0 HD2 ARG A 4 19.457 5.742 -14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 4 20.734 6.688 -14.120 1.00 0.00 H new ATOM 0 HE ARG A 4 21.616 5.384 -16.579 1.00 0.00 H new ATOM 0 HH11 ARG A 4 19.920 8.197 -15.311 1.00 0.00 H new ATOM 0 HH12 ARG A 4 20.259 9.169 -16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 4 22.030 6.650 -18.381 1.00 0.00 H new ATOM 0 HH22 ARG A 4 21.430 8.310 -18.451 1.00 0.00 H new ATOM 67 N GLY A 5 18.591 1.355 -14.254 1.00 0.00 N ATOM 68 CA GLY A 5 18.726 -0.063 -14.548 1.00 0.00 C ATOM 69 C GLY A 5 17.378 -0.755 -14.546 1.00 0.00 C ATOM 70 O GLY A 5 16.383 -0.172 -14.114 1.00 0.00 O ATOM 0 H GLY A 5 17.824 1.815 -14.745 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.202 -0.192 -15.520 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.378 -0.530 -13.810 1.00 0.00 H new ATOM 74 N ARG A 6 17.347 -1.959 -15.128 1.00 0.00 N ATOM 75 CA ARG A 6 16.132 -2.762 -15.163 1.00 0.00 C ATOM 76 C ARG A 6 15.630 -3.056 -13.749 1.00 0.00 C ATOM 77 O ARG A 6 16.217 -2.657 -12.746 1.00 0.00 O ATOM 78 CB ARG A 6 16.382 -4.071 -15.924 1.00 0.00 C ATOM 79 CG ARG A 6 16.178 -3.868 -17.426 1.00 0.00 C ATOM 80 CD ARG A 6 16.825 -5.014 -18.209 1.00 0.00 C ATOM 81 NE ARG A 6 17.970 -4.533 -19.002 1.00 0.00 N ATOM 82 CZ ARG A 6 18.514 -5.166 -20.027 1.00 0.00 C ATOM 83 NH1 ARG A 6 18.046 -6.326 -20.417 1.00 0.00 N ATOM 84 NH2 ARG A 6 19.526 -4.640 -20.670 1.00 0.00 N ATOM 0 H ARG A 6 18.152 -2.394 -15.579 1.00 0.00 H new ATOM 0 HA ARG A 6 15.362 -2.193 -15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.397 -4.421 -15.733 1.00 0.00 H new ATOM 0 HB3 ARG A 6 15.705 -4.844 -15.561 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.113 -3.820 -17.652 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.613 -2.917 -17.734 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.157 -5.789 -17.518 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.087 -5.470 -18.869 1.00 0.00 H new ATOM 0 HE ARG A 6 18.377 -3.636 -18.738 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.256 -6.747 -19.929 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.472 -6.808 -21.209 1.00 0.00 H new ATOM 0 HH21 ARG A 6 19.900 -3.736 -20.381 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.941 -5.134 -21.460 1.00 0.00 H new ATOM 98 N THR A 7 14.534 -3.773 -13.687 1.00 0.00 N ATOM 99 CA THR A 7 13.940 -4.178 -12.433 1.00 0.00 C ATOM 100 C THR A 7 14.539 -5.485 -11.942 1.00 0.00 C ATOM 101 O THR A 7 15.616 -5.879 -12.387 1.00 0.00 O ATOM 102 CB THR A 7 12.450 -4.295 -12.669 1.00 0.00 C ATOM 103 OG1 THR A 7 12.281 -5.312 -13.651 1.00 0.00 O ATOM 104 CG2 THR A 7 11.858 -3.011 -13.267 1.00 0.00 C ATOM 0 H THR A 7 14.025 -4.095 -14.510 1.00 0.00 H new ATOM 0 HA THR A 7 14.140 -3.445 -11.652 1.00 0.00 H new ATOM 0 HB THR A 7 11.956 -4.500 -11.719 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.341 -5.588 -13.678 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.787 -3.141 -13.419 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.029 -2.179 -12.584 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.337 -2.800 -14.223 1.00 0.00 H new ATOM 112 N GLU A 8 13.876 -6.120 -10.984 1.00 0.00 N ATOM 113 CA GLU A 8 14.320 -7.394 -10.447 1.00 0.00 C ATOM 114 C GLU A 8 13.323 -7.963 -9.465 1.00 0.00 C ATOM 115 O GLU A 8 13.172 -9.176 -9.360 1.00 0.00 O ATOM 116 CB GLU A 8 15.667 -7.220 -9.740 1.00 0.00 C ATOM 117 CG GLU A 8 16.709 -8.167 -10.339 1.00 0.00 C ATOM 118 CD GLU A 8 17.857 -8.392 -9.355 1.00 0.00 C ATOM 119 OE1 GLU A 8 18.822 -7.599 -9.403 1.00 0.00 O ATOM 120 OE2 GLU A 8 17.743 -9.344 -8.549 1.00 0.00 O ATOM 0 H GLU A 8 13.018 -5.766 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 8 14.417 -8.086 -11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.005 -6.188 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.554 -7.420 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.243 -9.120 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.096 -7.750 -11.269 1.00 0.00 H new ATOM 127 N SER A 9 12.637 -7.070 -8.747 1.00 0.00 N ATOM 128 CA SER A 9 11.605 -7.434 -7.794 1.00 0.00 C ATOM 129 C SER A 9 10.537 -8.328 -8.451 1.00 0.00 C ATOM 130 O SER A 9 10.510 -8.581 -9.650 1.00 0.00 O ATOM 131 CB SER A 9 10.947 -6.190 -7.177 1.00 0.00 C ATOM 132 OG SER A 9 11.649 -4.995 -7.484 1.00 0.00 O ATOM 0 H SER A 9 12.790 -6.064 -8.818 1.00 0.00 H new ATOM 0 HA SER A 9 12.087 -7.997 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.922 -6.108 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.895 -6.309 -6.095 1.00 0.00 H new ATOM 0 HG SER A 9 11.531 -4.350 -6.756 1.00 0.00 H new ATOM 138 N GLY A 10 9.565 -8.756 -7.662 1.00 0.00 N ATOM 139 CA GLY A 10 8.521 -9.617 -8.172 1.00 0.00 C ATOM 140 C GLY A 10 7.192 -8.993 -7.897 1.00 0.00 C ATOM 141 O GLY A 10 6.745 -8.181 -8.677 1.00 0.00 O ATOM 0 H GLY A 10 9.481 -8.521 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.650 -9.769 -9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.580 -10.598 -7.701 1.00 0.00 H new ATOM 145 N CYS A 11 6.569 -9.313 -6.758 1.00 0.00 N ATOM 146 CA CYS A 11 5.249 -8.821 -6.390 1.00 0.00 C ATOM 147 C CYS A 11 5.144 -7.341 -6.650 1.00 0.00 C ATOM 148 O CYS A 11 4.345 -6.972 -7.473 1.00 0.00 O ATOM 149 CB CYS A 11 4.952 -9.080 -4.936 1.00 0.00 C ATOM 150 SG CYS A 11 5.120 -10.790 -4.413 1.00 0.00 S ATOM 0 H CYS A 11 6.979 -9.932 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 11 4.524 -9.357 -7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.618 -8.465 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.934 -8.751 -4.725 1.00 0.00 H new ATOM 155 N TYR A 12 6.033 -6.544 -6.051 1.00 0.00 N ATOM 156 CA TYR A 12 6.152 -5.121 -6.306 1.00 0.00 C ATOM 157 C TYR A 12 6.033 -4.747 -7.773 1.00 0.00 C ATOM 158 O TYR A 12 5.190 -3.945 -8.113 1.00 0.00 O ATOM 159 CB TYR A 12 7.522 -4.681 -5.828 1.00 0.00 C ATOM 160 CG TYR A 12 7.911 -3.289 -6.251 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.132 -2.186 -5.878 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.037 -3.078 -7.062 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.495 -0.894 -6.278 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.405 -1.791 -7.471 1.00 0.00 C ATOM 165 CZ TYR A 12 8.626 -0.687 -7.094 1.00 0.00 C ATOM 166 OH TYR A 12 8.987 0.569 -7.441 1.00 0.00 O ATOM 0 H TYR A 12 6.702 -6.886 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 12 5.332 -4.630 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.549 -4.738 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.267 -5.383 -6.203 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.246 -2.333 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.630 -3.924 -7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.903 -0.049 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.288 -1.648 -8.076 1.00 0.00 H new ATOM 0 HH TYR A 12 9.788 0.535 -8.004 1.00 0.00 H new ATOM 176 N GLN A 13 6.813 -5.416 -8.618 1.00 0.00 N ATOM 177 CA GLN A 13 6.737 -5.218 -10.048 1.00 0.00 C ATOM 178 C GLN A 13 5.324 -5.447 -10.587 1.00 0.00 C ATOM 179 O GLN A 13 4.824 -4.698 -11.400 1.00 0.00 O ATOM 180 CB GLN A 13 7.708 -6.164 -10.760 1.00 0.00 C ATOM 181 CG GLN A 13 7.678 -5.902 -12.262 1.00 0.00 C ATOM 182 CD GLN A 13 9.045 -6.055 -12.847 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.858 -5.183 -12.686 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.363 -7.147 -13.508 1.00 0.00 N ATOM 0 H GLN A 13 7.508 -6.104 -8.326 1.00 0.00 H new ATOM 0 HA GLN A 13 7.009 -4.181 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.718 -6.019 -10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.436 -7.200 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.990 -6.596 -12.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.304 -4.896 -12.454 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.669 -7.883 -13.641 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.303 -7.258 -13.887 1.00 0.00 H new ATOM 193 N GLN A 14 4.661 -6.509 -10.150 1.00 0.00 N ATOM 194 CA GLN A 14 3.271 -6.747 -10.499 1.00 0.00 C ATOM 195 C GLN A 14 2.304 -5.804 -9.785 1.00 0.00 C ATOM 196 O GLN A 14 1.138 -5.721 -10.146 1.00 0.00 O ATOM 197 CB GLN A 14 2.911 -8.205 -10.204 1.00 0.00 C ATOM 198 CG GLN A 14 3.715 -9.154 -11.114 1.00 0.00 C ATOM 199 CD GLN A 14 4.299 -10.307 -10.317 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.238 -11.480 -10.644 1.00 0.00 O ATOM 201 NE2 GLN A 14 4.894 -10.012 -9.201 1.00 0.00 N ATOM 0 H GLN A 14 5.070 -7.224 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 14 3.166 -6.544 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.118 -8.432 -9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.843 -8.361 -10.359 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.069 -9.542 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.518 -8.602 -11.603 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.961 -9.040 -8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.294 -10.753 -8.625 1.00 0.00 H new ATOM 210 N MET A 15 2.755 -5.145 -8.730 1.00 0.00 N ATOM 211 CA MET A 15 1.993 -4.233 -7.945 1.00 0.00 C ATOM 212 C MET A 15 1.815 -2.954 -8.704 1.00 0.00 C ATOM 213 O MET A 15 0.690 -2.607 -8.910 1.00 0.00 O ATOM 214 CB MET A 15 2.704 -3.895 -6.656 1.00 0.00 C ATOM 215 CG MET A 15 1.710 -3.550 -5.589 1.00 0.00 C ATOM 216 SD MET A 15 2.444 -2.472 -4.376 1.00 0.00 S ATOM 217 CE MET A 15 3.470 -3.667 -3.554 1.00 0.00 C ATOM 0 H MET A 15 3.713 -5.248 -8.395 1.00 0.00 H new ATOM 0 HA MET A 15 1.036 -4.705 -7.724 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.313 -4.741 -6.336 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.382 -3.057 -6.816 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.842 -3.066 -6.036 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.355 -4.461 -5.107 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.399 -3.193 -3.237 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.946 -4.058 -2.682 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.696 -4.485 -4.238 1.00 0.00 H new ATOM 227 N GLU A 16 2.870 -2.241 -9.068 1.00 0.00 N ATOM 228 CA GLU A 16 2.765 -0.998 -9.833 1.00 0.00 C ATOM 229 C GLU A 16 1.897 -1.165 -11.080 1.00 0.00 C ATOM 230 O GLU A 16 1.067 -0.312 -11.385 1.00 0.00 O ATOM 231 CB GLU A 16 4.158 -0.520 -10.247 1.00 0.00 C ATOM 232 CG GLU A 16 5.081 -1.681 -10.607 1.00 0.00 C ATOM 233 CD GLU A 16 6.212 -1.245 -11.523 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.251 -0.802 -10.980 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.061 -1.388 -12.755 1.00 0.00 O ATOM 0 H GLU A 16 3.829 -2.505 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 16 2.291 -0.258 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.071 0.152 -11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.600 0.055 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.497 -2.109 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.503 -2.467 -11.093 1.00 0.00 H new ATOM 242 N GLU A 17 2.014 -2.328 -11.730 1.00 0.00 N ATOM 243 CA GLU A 17 1.218 -2.635 -12.906 1.00 0.00 C ATOM 244 C GLU A 17 -0.260 -2.785 -12.545 1.00 0.00 C ATOM 245 O GLU A 17 -1.148 -2.524 -13.361 1.00 0.00 O ATOM 246 CB GLU A 17 1.728 -3.922 -13.569 1.00 0.00 C ATOM 247 CG GLU A 17 1.857 -3.710 -15.080 1.00 0.00 C ATOM 248 CD GLU A 17 2.473 -4.942 -15.747 1.00 0.00 C ATOM 249 OE1 GLU A 17 1.783 -5.988 -15.802 1.00 0.00 O ATOM 250 OE2 GLU A 17 3.623 -4.839 -16.223 1.00 0.00 O ATOM 0 H GLU A 17 2.657 -3.070 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 17 1.317 -1.806 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.694 -4.201 -13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.042 -4.744 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.875 -3.510 -15.510 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.476 -2.835 -15.278 1.00 0.00 H new ATOM 257 N ALA A 18 -0.534 -3.187 -11.312 1.00 0.00 N ATOM 258 CA ALA A 18 -1.872 -3.333 -10.806 1.00 0.00 C ATOM 259 C ALA A 18 -1.998 -2.725 -9.436 1.00 0.00 C ATOM 260 O ALA A 18 -2.354 -3.459 -8.522 1.00 0.00 O ATOM 261 CB ALA A 18 -2.237 -4.823 -10.825 1.00 0.00 C ATOM 0 H ALA A 18 0.188 -3.423 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.577 -2.794 -11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.250 -4.954 -10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.182 -5.198 -11.847 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.539 -5.377 -10.197 1.00 0.00 H new ATOM 267 N GLU A 19 -1.682 -1.436 -9.289 1.00 0.00 N ATOM 268 CA GLU A 19 -1.650 -0.726 -8.015 1.00 0.00 C ATOM 269 C GLU A 19 -2.838 -1.131 -7.143 1.00 0.00 C ATOM 270 O GLU A 19 -3.945 -0.584 -7.245 1.00 0.00 O ATOM 271 CB GLU A 19 -1.645 0.777 -8.270 1.00 0.00 C ATOM 272 CG GLU A 19 -2.297 1.141 -9.609 1.00 0.00 C ATOM 273 CD GLU A 19 -2.830 2.552 -9.637 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.108 3.431 -9.161 1.00 0.00 O ATOM 275 OE2 GLU A 19 -4.012 2.730 -10.051 1.00 0.00 O ATOM 0 H GLU A 19 -1.434 -0.842 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.740 -0.994 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.173 1.282 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.618 1.142 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.567 1.018 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.112 0.446 -9.812 1.00 0.00 H new ATOM 282 N MET A 20 -2.617 -2.138 -6.304 1.00 0.00 N ATOM 283 CA MET A 20 -3.698 -2.754 -5.574 1.00 0.00 C ATOM 284 C MET A 20 -3.897 -1.883 -4.357 1.00 0.00 C ATOM 285 O MET A 20 -4.963 -1.871 -3.779 1.00 0.00 O ATOM 286 CB MET A 20 -3.338 -4.199 -5.202 1.00 0.00 C ATOM 287 CG MET A 20 -2.529 -4.247 -3.913 1.00 0.00 C ATOM 288 SD MET A 20 -0.910 -3.532 -4.091 1.00 0.00 S ATOM 289 CE MET A 20 0.055 -4.636 -3.065 1.00 0.00 C ATOM 0 H MET A 20 -1.697 -2.538 -6.119 1.00 0.00 H new ATOM 0 HA MET A 20 -4.616 -2.821 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.249 -4.786 -5.085 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.767 -4.655 -6.011 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.071 -3.718 -3.129 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.430 -5.283 -3.589 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.713 -4.052 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.613 -5.239 -2.450 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.654 -5.290 -3.698 1.00 0.00 H new ATOM 299 N LEU A 21 -2.863 -1.161 -3.929 1.00 0.00 N ATOM 300 CA LEU A 21 -2.896 -0.347 -2.753 1.00 0.00 C ATOM 301 C LEU A 21 -2.378 1.024 -3.136 1.00 0.00 C ATOM 302 O LEU A 21 -1.325 1.461 -2.703 1.00 0.00 O ATOM 303 CB LEU A 21 -2.118 -1.007 -1.634 1.00 0.00 C ATOM 304 CG LEU A 21 -2.789 -2.214 -0.965 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.839 -3.403 -0.881 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.340 -1.872 0.415 1.00 0.00 C ATOM 0 H LEU A 21 -1.966 -1.137 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.908 -0.232 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.153 -1.326 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.917 -0.258 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.632 -2.492 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.346 -4.241 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.529 -3.693 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.962 -3.127 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.806 -2.756 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.527 -1.536 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.082 -1.079 0.324 1.00 0.00 H new ATOM 318 N ASN A 22 -3.169 1.722 -3.948 1.00 0.00 N ATOM 319 CA ASN A 22 -2.838 3.074 -4.374 1.00 0.00 C ATOM 320 C ASN A 22 -4.049 3.980 -4.233 1.00 0.00 C ATOM 321 O ASN A 22 -3.984 5.065 -3.674 1.00 0.00 O ATOM 322 CB ASN A 22 -2.404 3.082 -5.840 1.00 0.00 C ATOM 323 CG ASN A 22 -2.038 4.477 -6.318 1.00 0.00 C ATOM 324 OD1 ASN A 22 -2.743 5.113 -7.074 1.00 0.00 O ATOM 325 ND2 ASN A 22 -1.139 5.102 -5.597 1.00 0.00 N ATOM 0 H ASN A 22 -4.048 1.368 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.024 3.433 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.549 2.419 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.210 2.687 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.037 6.114 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.542 4.576 -4.959 1.00 0.00 H new ATOM 332 N HIS A 23 -5.213 3.462 -4.645 1.00 0.00 N ATOM 333 CA HIS A 23 -6.442 4.219 -4.591 1.00 0.00 C ATOM 334 C HIS A 23 -6.872 4.352 -3.142 1.00 0.00 C ATOM 335 O HIS A 23 -7.141 5.448 -2.674 1.00 0.00 O ATOM 336 CB HIS A 23 -7.510 3.517 -5.422 1.00 0.00 C ATOM 337 CG HIS A 23 -7.173 3.364 -6.874 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.848 3.980 -7.908 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.180 2.588 -7.411 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.265 3.596 -9.062 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.275 2.735 -8.777 1.00 0.00 N ATOM 0 H HIS A 23 -5.316 2.518 -5.018 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.294 5.216 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.689 2.529 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.443 4.075 -5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.466 1.983 -6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.547 3.926 -10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.686 2.264 -9.464 1.00 0.00 H new ATOM 350 N CYS A 24 -6.926 3.221 -2.421 1.00 0.00 N ATOM 351 CA CYS A 24 -7.227 3.252 -1.000 1.00 0.00 C ATOM 352 C CYS A 24 -6.236 4.154 -0.267 1.00 0.00 C ATOM 353 O CYS A 24 -6.539 4.600 0.812 1.00 0.00 O ATOM 354 CB CYS A 24 -7.180 1.845 -0.394 1.00 0.00 C ATOM 355 SG CYS A 24 -8.774 1.021 -0.351 1.00 0.00 S ATOM 0 H CYS A 24 -6.766 2.289 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.235 3.649 -0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.482 1.236 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.787 1.910 0.621 1.00 0.00 H new ATOM 360 N GLY A 25 -5.088 4.454 -0.867 1.00 0.00 N ATOM 361 CA GLY A 25 -4.127 5.358 -0.333 1.00 0.00 C ATOM 362 C GLY A 25 -4.708 6.705 -0.057 1.00 0.00 C ATOM 363 O GLY A 25 -4.640 7.066 1.088 1.00 0.00 O ATOM 0 H GLY A 25 -4.811 4.053 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.717 4.946 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.298 5.459 -1.033 1.00 0.00 H new ATOM 367 N MET A 26 -5.301 7.395 -1.033 1.00 0.00 N ATOM 368 CA MET A 26 -5.900 8.707 -0.854 1.00 0.00 C ATOM 369 C MET A 26 -6.796 8.750 0.363 1.00 0.00 C ATOM 370 O MET A 26 -6.649 9.622 1.176 1.00 0.00 O ATOM 371 CB MET A 26 -6.786 9.035 -2.051 1.00 0.00 C ATOM 372 CG MET A 26 -6.392 10.370 -2.660 1.00 0.00 C ATOM 373 SD MET A 26 -5.148 10.108 -3.946 1.00 0.00 S ATOM 374 CE MET A 26 -4.442 11.766 -3.994 1.00 0.00 C ATOM 0 H MET A 26 -5.377 7.045 -1.988 1.00 0.00 H new ATOM 0 HA MET A 26 -5.080 9.417 -0.743 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.700 8.248 -2.800 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.830 9.066 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.269 10.861 -3.083 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.998 11.031 -1.888 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.647 11.802 -4.739 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.218 12.485 -4.257 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.033 12.016 -3.015 1.00 0.00 H new ATOM 384 N TYR A 27 -7.675 7.767 0.533 1.00 0.00 N ATOM 385 CA TYR A 27 -8.530 7.661 1.704 1.00 0.00 C ATOM 386 C TYR A 27 -7.761 7.773 3.019 1.00 0.00 C ATOM 387 O TYR A 27 -8.246 8.319 4.004 1.00 0.00 O ATOM 388 CB TYR A 27 -9.202 6.292 1.634 1.00 0.00 C ATOM 389 CG TYR A 27 -10.181 6.010 2.737 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.306 6.834 2.890 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.985 4.927 3.617 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.223 6.583 3.917 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.902 4.672 4.646 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.025 5.512 4.803 1.00 0.00 C ATOM 395 OH TYR A 27 -12.953 5.247 5.749 1.00 0.00 O ATOM 0 H TYR A 27 -7.813 7.017 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.244 8.484 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.719 6.206 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.429 5.523 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.464 7.662 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.122 4.289 3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.089 7.218 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.750 3.838 5.315 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.667 4.474 6.280 1.00 0.00 H new ATOM 405 N LEU A 28 -6.531 7.289 3.024 1.00 0.00 N ATOM 406 CA LEU A 28 -5.632 7.343 4.154 1.00 0.00 C ATOM 407 C LEU A 28 -4.687 8.538 4.039 1.00 0.00 C ATOM 408 O LEU A 28 -4.213 9.050 5.048 1.00 0.00 O ATOM 409 CB LEU A 28 -4.858 6.028 4.281 1.00 0.00 C ATOM 410 CG LEU A 28 -5.619 4.767 3.856 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.677 3.673 3.357 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.537 4.291 4.956 1.00 0.00 C ATOM 0 H LEU A 28 -6.120 6.832 2.210 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.220 7.477 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.951 6.102 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.546 5.910 5.319 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.251 5.028 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.258 2.798 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.117 4.039 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.983 3.400 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.064 3.395 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.950 4.061 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.260 5.072 5.190 1.00 0.00 H new ATOM 424 N MET A 29 -4.449 9.040 2.838 1.00 0.00 N ATOM 425 CA MET A 29 -3.647 10.191 2.525 1.00 0.00 C ATOM 426 C MET A 29 -4.474 11.459 2.454 1.00 0.00 C ATOM 427 O MET A 29 -3.972 12.492 2.042 1.00 0.00 O ATOM 428 CB MET A 29 -2.883 9.962 1.223 1.00 0.00 C ATOM 429 CG MET A 29 -1.395 10.183 1.430 1.00 0.00 C ATOM 430 SD MET A 29 -0.486 9.851 -0.082 1.00 0.00 S ATOM 431 CE MET A 29 -0.192 11.528 -0.627 1.00 0.00 C ATOM 0 H MET A 29 -4.846 8.615 2.000 1.00 0.00 H new ATOM 0 HA MET A 29 -2.930 10.327 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.059 8.947 0.865 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.253 10.640 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.216 11.210 1.749 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.034 9.534 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.035 11.538 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.054 12.147 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.693 11.923 -0.128 1.00 0.00 H new ATOM 441 N LYS A 30 -5.725 11.404 2.894 1.00 0.00 N ATOM 442 CA LYS A 30 -6.638 12.524 2.840 1.00 0.00 C ATOM 443 C LYS A 30 -6.469 13.328 4.106 1.00 0.00 C ATOM 444 O LYS A 30 -6.730 14.522 4.085 1.00 0.00 O ATOM 445 CB LYS A 30 -8.079 12.024 2.649 1.00 0.00 C ATOM 446 CG LYS A 30 -8.452 12.023 1.155 1.00 0.00 C ATOM 447 CD LYS A 30 -9.420 13.169 0.821 1.00 0.00 C ATOM 448 CE LYS A 30 -8.972 13.919 -0.439 1.00 0.00 C ATOM 449 NZ LYS A 30 -8.662 15.331 -0.121 1.00 0.00 N ATOM 0 H LYS A 30 -6.134 10.564 3.304 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.418 13.167 1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.179 11.018 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.769 12.662 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.549 12.120 0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.910 11.069 0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.424 12.770 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.473 13.862 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.093 13.435 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.757 13.874 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.988 15.704 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.537 15.893 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.243 15.389 0.829 1.00 0.00 H new ATOM 463 N ASN A 31 -5.977 12.679 5.166 1.00 0.00 N ATOM 464 CA ASN A 31 -5.659 13.358 6.402 1.00 0.00 C ATOM 465 C ASN A 31 -4.167 13.641 6.520 1.00 0.00 C ATOM 466 O ASN A 31 -3.733 14.304 7.454 1.00 0.00 O ATOM 467 CB ASN A 31 -6.106 12.478 7.577 1.00 0.00 C ATOM 468 CG ASN A 31 -7.339 13.023 8.266 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.674 14.194 8.215 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.053 12.149 8.929 1.00 0.00 N ATOM 0 H ASN A 31 -5.793 11.676 5.181 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.181 14.315 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.310 11.470 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.293 12.400 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.902 12.445 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.761 11.172 8.963 1.00 0.00 H new ATOM 477 N LEU A 32 -3.379 13.043 5.620 1.00 0.00 N ATOM 478 CA LEU A 32 -1.950 13.260 5.605 1.00 0.00 C ATOM 479 C LEU A 32 -1.608 14.592 4.941 1.00 0.00 C ATOM 480 O LEU A 32 -0.542 15.142 5.192 1.00 0.00 O ATOM 481 CB LEU A 32 -1.264 12.083 4.916 1.00 0.00 C ATOM 482 CG LEU A 32 -1.323 10.809 5.741 1.00 0.00 C ATOM 483 CD1 LEU A 32 -0.729 9.681 4.932 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.588 10.976 7.062 1.00 0.00 C ATOM 0 H LEU A 32 -3.718 12.407 4.898 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.581 13.317 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.735 11.908 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.222 12.338 4.721 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.362 10.580 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.765 8.759 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.300 9.553 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.307 9.915 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.647 10.048 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.457 11.217 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.047 11.782 7.634 1.00 0.00 H new ATOM 496 N GLY A 33 -2.529 15.121 4.137 1.00 0.00 N ATOM 497 CA GLY A 33 -2.350 16.375 3.434 1.00 0.00 C ATOM 498 C GLY A 33 -2.485 16.190 1.934 1.00 0.00 C ATOM 499 O GLY A 33 -2.287 15.100 1.402 1.00 0.00 O ATOM 0 H GLY A 33 -3.431 14.679 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.088 17.098 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.368 16.787 3.665 1.00 0.00 H new ATOM 503 N GLU A 34 -2.781 17.280 1.240 1.00 0.00 N ATOM 504 CA GLU A 34 -2.935 17.250 -0.203 1.00 0.00 C ATOM 505 C GLU A 34 -2.473 18.564 -0.807 1.00 0.00 C ATOM 506 O GLU A 34 -3.075 19.613 -0.587 1.00 0.00 O ATOM 507 CB GLU A 34 -4.387 16.949 -0.586 1.00 0.00 C ATOM 508 CG GLU A 34 -4.444 16.334 -1.990 1.00 0.00 C ATOM 509 CD GLU A 34 -5.596 15.334 -2.078 1.00 0.00 C ATOM 510 OE1 GLU A 34 -6.769 15.786 -2.070 1.00 0.00 O ATOM 511 OE2 GLU A 34 -5.318 14.124 -2.093 1.00 0.00 O ATOM 0 H GLU A 34 -2.919 18.200 1.658 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.312 16.451 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.828 16.264 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.976 17.865 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.576 17.119 -2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.501 15.836 -2.216 1.00 0.00 H new ATOM 518 N ARG A 35 -1.338 18.527 -1.501 1.00 0.00 N ATOM 519 CA ARG A 35 -0.801 19.710 -2.152 1.00 0.00 C ATOM 520 C ARG A 35 -1.484 19.938 -3.486 1.00 0.00 C ATOM 521 O ARG A 35 -1.984 18.994 -4.099 1.00 0.00 O ATOM 522 CB ARG A 35 0.710 19.567 -2.347 1.00 0.00 C ATOM 523 CG ARG A 35 1.060 18.279 -3.113 1.00 0.00 C ATOM 524 CD ARG A 35 2.283 18.485 -4.007 1.00 0.00 C ATOM 525 NE ARG A 35 3.162 17.308 -3.973 1.00 0.00 N ATOM 526 CZ ARG A 35 4.201 17.105 -4.765 1.00 0.00 C ATOM 527 NH1 ARG A 35 4.516 17.986 -5.684 1.00 0.00 N ATOM 528 NH2 ARG A 35 4.929 16.022 -4.640 1.00 0.00 N ATOM 0 H ARG A 35 -0.774 17.686 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.992 20.573 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.091 20.431 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.204 19.560 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.255 17.473 -2.405 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.209 17.971 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.962 18.674 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.835 19.366 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 35 2.953 16.588 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.958 18.833 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.319 17.824 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.695 15.330 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.729 15.872 -5.254 1.00 0.00 H new ATOM 542 N SER A 36 -1.377 21.155 -4.002 1.00 0.00 N ATOM 543 CA SER A 36 -1.935 21.517 -5.296 1.00 0.00 C ATOM 544 C SER A 36 -1.782 23.009 -5.525 1.00 0.00 C ATOM 545 O SER A 36 -1.555 23.757 -4.574 1.00 0.00 O ATOM 546 CB SER A 36 -3.424 21.145 -5.372 1.00 0.00 C ATOM 547 OG SER A 36 -3.723 20.494 -6.594 1.00 0.00 O ATOM 0 H SER A 36 -0.898 21.922 -3.531 1.00 0.00 H new ATOM 0 HA SER A 36 -1.394 20.967 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.683 20.495 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.032 22.044 -5.277 1.00 0.00 H new ATOM 0 HG SER A 36 -4.676 20.266 -6.618 1.00 0.00 H new ATOM 553 N GLN A 37 -1.906 23.428 -6.780 1.00 0.00 N ATOM 554 CA GLN A 37 -1.800 24.833 -7.133 1.00 0.00 C ATOM 555 C GLN A 37 -2.159 25.056 -8.593 1.00 0.00 C ATOM 556 O GLN A 37 -1.307 25.323 -9.432 1.00 0.00 O ATOM 557 CB GLN A 37 -0.384 25.348 -6.840 1.00 0.00 C ATOM 558 CG GLN A 37 -0.454 26.798 -6.365 1.00 0.00 C ATOM 559 CD GLN A 37 0.737 27.606 -6.853 1.00 0.00 C ATOM 560 OE1 GLN A 37 1.132 27.578 -8.006 1.00 0.00 O ATOM 561 NE2 GLN A 37 1.346 28.351 -5.961 1.00 0.00 N ATOM 0 H GLN A 37 -2.081 22.808 -7.571 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.509 25.394 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.089 24.728 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.232 25.278 -7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.376 27.255 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.489 26.823 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.011 28.370 -4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.155 28.911 -6.231 1.00 0.00 H new ATOM 570 N VAL A 38 -3.424 24.858 -8.923 1.00 0.00 N ATOM 571 CA VAL A 38 -3.890 25.027 -10.296 1.00 0.00 C ATOM 572 C VAL A 38 -5.386 24.937 -10.300 1.00 0.00 C ATOM 573 O VAL A 38 -5.879 24.162 -9.485 1.00 0.00 O ATOM 574 CB VAL A 38 -3.271 23.951 -11.202 1.00 0.00 C ATOM 575 CG1 VAL A 38 -3.790 22.546 -10.896 1.00 0.00 C ATOM 576 CG2 VAL A 38 -3.456 24.314 -12.669 1.00 0.00 C ATOM 0 H VAL A 38 -4.149 24.580 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.584 25.999 -10.683 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.203 23.927 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.317 21.829 -11.567 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.553 22.287 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.870 22.518 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.011 23.540 -13.294 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.520 24.394 -12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.970 25.268 -12.872 1.00 0.00 H new ATOM 586 N SER A 39 -6.055 25.686 -11.192 1.00 0.00 N ATOM 587 CA SER A 39 -7.508 25.729 -11.330 1.00 0.00 C ATOM 588 C SER A 39 -8.117 24.343 -11.137 1.00 0.00 C ATOM 589 O SER A 39 -8.055 23.508 -12.057 1.00 0.00 O ATOM 590 CB SER A 39 -7.922 26.303 -12.682 1.00 0.00 C ATOM 591 OG SER A 39 -8.662 27.491 -12.510 1.00 0.00 O ATOM 0 H SER A 39 -5.577 26.296 -11.856 1.00 0.00 H new ATOM 0 HA SER A 39 -7.889 26.388 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.036 26.504 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.519 25.572 -13.227 1.00 0.00 H new ATOM 0 HG SER A 39 -8.918 27.847 -13.387 1.00 0.00 H new ATOM 597 N PRO A 40 -8.623 24.058 -9.928 1.00 0.00 N ATOM 598 CA PRO A 40 -9.121 22.734 -9.584 1.00 0.00 C ATOM 599 C PRO A 40 -10.494 22.586 -10.210 1.00 0.00 C ATOM 600 O PRO A 40 -11.500 22.813 -9.543 1.00 0.00 O ATOM 601 CB PRO A 40 -9.147 22.661 -8.048 1.00 0.00 C ATOM 602 CG PRO A 40 -9.034 24.106 -7.558 1.00 0.00 C ATOM 603 CD PRO A 40 -8.614 24.943 -8.761 1.00 0.00 C ATOM 0 HA PRO A 40 -8.502 21.918 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.069 22.200 -7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.323 22.055 -7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.986 24.455 -7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.301 24.187 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.299 25.779 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.622 25.367 -8.607 1.00 0.00 H new ATOM 611 N ARG A 41 -10.518 22.201 -11.495 1.00 0.00 N ATOM 612 CA ARG A 41 -11.756 22.028 -12.233 1.00 0.00 C ATOM 613 C ARG A 41 -12.722 21.183 -11.415 1.00 0.00 C ATOM 614 O ARG A 41 -13.706 21.696 -10.900 1.00 0.00 O ATOM 615 CB ARG A 41 -11.487 21.381 -13.601 1.00 0.00 C ATOM 616 CG ARG A 41 -12.094 22.217 -14.726 1.00 0.00 C ATOM 617 CD ARG A 41 -10.989 22.893 -15.537 1.00 0.00 C ATOM 618 NE ARG A 41 -11.524 24.014 -16.321 1.00 0.00 N ATOM 619 CZ ARG A 41 -10.818 24.798 -17.118 1.00 0.00 C ATOM 620 NH1 ARG A 41 -9.527 24.613 -17.261 1.00 0.00 N ATOM 621 NH2 ARG A 41 -11.397 25.776 -17.768 1.00 0.00 N ATOM 0 H ARG A 41 -9.679 22.004 -12.040 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.204 23.005 -12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.413 21.281 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.907 20.376 -13.622 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.696 21.582 -15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.762 22.971 -14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.209 23.253 -14.866 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.526 22.166 -16.204 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.523 24.203 -16.244 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.061 23.860 -16.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.990 25.222 -17.878 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.399 25.937 -17.661 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.847 26.377 -18.381 1.00 0.00 H new ATOM 635 N MET A 42 -12.411 19.891 -11.317 1.00 0.00 N ATOM 636 CA MET A 42 -13.254 18.948 -10.616 1.00 0.00 C ATOM 637 C MET A 42 -12.400 17.936 -9.887 1.00 0.00 C ATOM 638 O MET A 42 -11.379 17.496 -10.426 1.00 0.00 O ATOM 639 CB MET A 42 -14.189 18.232 -11.596 1.00 0.00 C ATOM 640 CG MET A 42 -14.830 19.203 -12.588 1.00 0.00 C ATOM 641 SD MET A 42 -16.240 18.459 -13.421 1.00 0.00 S ATOM 642 CE MET A 42 -17.553 19.448 -12.670 1.00 0.00 C ATOM 0 H MET A 42 -11.570 19.479 -11.722 1.00 0.00 H new ATOM 0 HA MET A 42 -13.860 19.494 -9.893 1.00 0.00 H new ATOM 0 HB2 MET A 42 -13.629 17.473 -12.142 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.970 17.714 -11.039 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.150 20.103 -12.063 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.090 19.511 -13.327 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.518 19.131 -13.065 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.540 19.309 -11.589 1.00 0.00 H new ATOM 0 HE3 MET A 42 -17.394 20.501 -12.902 1.00 0.00 H new ATOM 652 N ARG A 43 -12.811 17.595 -8.670 1.00 0.00 N ATOM 653 CA ARG A 43 -12.107 16.614 -7.852 1.00 0.00 C ATOM 654 C ARG A 43 -13.045 15.971 -6.849 1.00 0.00 C ATOM 655 O ARG A 43 -13.172 16.444 -5.724 1.00 0.00 O ATOM 656 CB ARG A 43 -10.929 17.289 -7.132 1.00 0.00 C ATOM 657 CG ARG A 43 -9.595 16.849 -7.736 1.00 0.00 C ATOM 658 CD ARG A 43 -8.729 18.066 -8.080 1.00 0.00 C ATOM 659 NE ARG A 43 -7.740 18.331 -7.022 1.00 0.00 N ATOM 660 CZ ARG A 43 -6.644 17.614 -6.813 1.00 0.00 C ATOM 661 NH1 ARG A 43 -6.328 16.623 -7.615 1.00 0.00 N ATOM 662 NH2 ARG A 43 -5.832 17.918 -5.835 1.00 0.00 N ATOM 0 H ARG A 43 -13.639 17.990 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.724 15.828 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.026 18.372 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.953 17.037 -6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.066 16.207 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.774 16.258 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.216 17.895 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.364 18.941 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.910 19.125 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.928 16.398 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.483 16.079 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.040 18.711 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.991 17.363 -5.679 1.00 0.00 H new ATOM 676 N GLU A 44 -13.780 14.970 -7.301 1.00 0.00 N ATOM 677 CA GLU A 44 -14.718 14.272 -6.433 1.00 0.00 C ATOM 678 C GLU A 44 -14.535 12.766 -6.556 1.00 0.00 C ATOM 679 O GLU A 44 -15.182 12.090 -7.355 1.00 0.00 O ATOM 680 CB GLU A 44 -16.151 14.698 -6.750 1.00 0.00 C ATOM 681 CG GLU A 44 -17.002 14.703 -5.476 1.00 0.00 C ATOM 682 CD GLU A 44 -18.305 13.916 -5.673 1.00 0.00 C ATOM 683 OE1 GLU A 44 -18.936 14.075 -6.747 1.00 0.00 O ATOM 684 OE2 GLU A 44 -18.686 13.194 -4.728 1.00 0.00 O ATOM 0 H GLU A 44 -13.748 14.622 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.515 14.543 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.151 15.691 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.586 14.018 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.433 14.269 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.234 15.730 -5.195 1.00 0.00 H new ATOM 691 N GLU A 45 -13.558 12.235 -5.838 1.00 0.00 N ATOM 692 CA GLU A 45 -13.304 10.808 -5.844 1.00 0.00 C ATOM 693 C GLU A 45 -13.296 10.253 -4.423 1.00 0.00 C ATOM 694 O GLU A 45 -12.998 10.952 -3.457 1.00 0.00 O ATOM 695 CB GLU A 45 -11.988 10.523 -6.587 1.00 0.00 C ATOM 696 CG GLU A 45 -10.768 11.058 -5.817 1.00 0.00 C ATOM 697 CD GLU A 45 -10.421 12.483 -6.256 1.00 0.00 C ATOM 698 OE1 GLU A 45 -9.984 12.614 -7.421 1.00 0.00 O ATOM 699 OE2 GLU A 45 -10.548 13.413 -5.434 1.00 0.00 O ATOM 0 H GLU A 45 -12.928 12.774 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.108 10.298 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.881 9.449 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.023 10.980 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.975 11.044 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.912 10.404 -5.985 1.00 0.00 H new ATOM 706 N ASP A 46 -13.478 8.940 -4.308 1.00 0.00 N ATOM 707 CA ASP A 46 -13.491 8.283 -3.006 1.00 0.00 C ATOM 708 C ASP A 46 -13.229 6.792 -3.187 1.00 0.00 C ATOM 709 O ASP A 46 -14.078 6.002 -3.608 1.00 0.00 O ATOM 710 CB ASP A 46 -14.842 8.476 -2.308 1.00 0.00 C ATOM 711 CG ASP A 46 -14.708 8.559 -0.791 1.00 0.00 C ATOM 712 OD1 ASP A 46 -14.063 7.650 -0.208 1.00 0.00 O ATOM 713 OD2 ASP A 46 -15.294 9.487 -0.209 1.00 0.00 O ATOM 0 H ASP A 46 -13.618 8.312 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.712 8.729 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.312 9.387 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.503 7.648 -2.567 1.00 0.00 H new ATOM 718 N HIS A 47 -11.969 6.397 -3.062 1.00 0.00 N ATOM 719 CA HIS A 47 -11.613 5.001 -3.210 1.00 0.00 C ATOM 720 C HIS A 47 -11.798 4.293 -1.881 1.00 0.00 C ATOM 721 O HIS A 47 -11.771 4.912 -0.829 1.00 0.00 O ATOM 722 CB HIS A 47 -10.188 4.887 -3.722 1.00 0.00 C ATOM 723 CG HIS A 47 -9.814 5.999 -4.685 1.00 0.00 C ATOM 724 ND1 HIS A 47 -10.380 6.180 -5.928 1.00 0.00 N ATOM 725 CD2 HIS A 47 -8.876 6.984 -4.497 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.800 7.267 -6.483 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.873 7.763 -5.635 1.00 0.00 N ATOM 0 H HIS A 47 -11.187 7.020 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.263 4.520 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.501 4.900 -2.876 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.062 3.925 -4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.257 7.123 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.040 7.676 -7.453 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.276 8.572 -5.806 1.00 0.00 H new ATOM 736 N LYS A 48 -11.850 2.961 -1.940 1.00 0.00 N ATOM 737 CA LYS A 48 -12.014 2.118 -0.764 1.00 0.00 C ATOM 738 C LYS A 48 -12.171 0.659 -1.147 1.00 0.00 C ATOM 739 O LYS A 48 -11.629 -0.219 -0.502 1.00 0.00 O ATOM 740 CB LYS A 48 -13.225 2.582 0.064 1.00 0.00 C ATOM 741 CG LYS A 48 -12.827 2.768 1.536 1.00 0.00 C ATOM 742 CD LYS A 48 -13.903 2.195 2.463 1.00 0.00 C ATOM 743 CE LYS A 48 -14.720 3.318 3.108 1.00 0.00 C ATOM 744 NZ LYS A 48 -16.155 3.179 2.766 1.00 0.00 N ATOM 0 H LYS A 48 -11.779 2.438 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.112 2.213 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.610 3.520 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.028 1.849 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.875 2.273 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.683 3.827 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.563 1.537 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.436 1.588 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.594 3.292 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.351 4.286 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.694 3.949 3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.272 3.227 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.507 2.264 3.112 1.00 0.00 H new ATOM 758 N GLN A 49 -12.798 0.426 -2.298 1.00 0.00 N ATOM 759 CA GLN A 49 -12.956 -0.908 -2.832 1.00 0.00 C ATOM 760 C GLN A 49 -12.136 -1.091 -4.090 1.00 0.00 C ATOM 761 O GLN A 49 -11.908 -2.212 -4.485 1.00 0.00 O ATOM 762 CB GLN A 49 -14.427 -1.185 -3.141 1.00 0.00 C ATOM 763 CG GLN A 49 -14.979 -2.260 -2.202 1.00 0.00 C ATOM 764 CD GLN A 49 -16.115 -3.055 -2.832 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.674 -2.708 -3.858 1.00 0.00 O ATOM 766 NE2 GLN A 49 -16.446 -4.167 -2.219 1.00 0.00 N ATOM 0 H GLN A 49 -13.206 1.159 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.603 -1.612 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.006 -0.268 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.532 -1.509 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.175 -2.941 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.334 -1.790 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.965 -4.439 -1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.184 -4.759 -2.600 1.00 0.00 H new ATOM 775 N LEU A 50 -11.617 0.005 -4.662 1.00 0.00 N ATOM 776 CA LEU A 50 -10.756 -0.050 -5.823 1.00 0.00 C ATOM 777 C LEU A 50 -9.415 -0.690 -5.456 1.00 0.00 C ATOM 778 O LEU A 50 -8.694 -1.122 -6.333 1.00 0.00 O ATOM 779 CB LEU A 50 -10.589 1.371 -6.384 1.00 0.00 C ATOM 780 CG LEU A 50 -11.657 1.741 -7.433 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.968 3.239 -7.342 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.190 1.366 -8.844 1.00 0.00 C ATOM 0 H LEU A 50 -11.791 0.951 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.202 -0.673 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.633 2.086 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.600 1.463 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.566 1.177 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.723 3.500 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.343 3.473 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.060 3.811 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.960 1.637 -9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.270 1.902 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.007 0.293 -8.894 1.00 0.00 H new ATOM 794 N CYS A 51 -9.086 -0.725 -4.157 1.00 0.00 N ATOM 795 CA CYS A 51 -7.889 -1.375 -3.685 1.00 0.00 C ATOM 796 C CYS A 51 -8.155 -2.847 -3.445 1.00 0.00 C ATOM 797 O CYS A 51 -7.466 -3.672 -4.020 1.00 0.00 O ATOM 798 CB CYS A 51 -7.403 -0.685 -2.421 1.00 0.00 C ATOM 799 SG CYS A 51 -8.375 -0.869 -0.901 1.00 0.00 S ATOM 0 H CYS A 51 -9.649 -0.301 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.107 -1.299 -4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.395 -1.045 -2.215 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.323 0.381 -2.636 1.00 0.00 H new ATOM 804 N CYS A 52 -9.246 -3.163 -2.722 1.00 0.00 N ATOM 805 CA CYS A 52 -9.640 -4.539 -2.467 1.00 0.00 C ATOM 806 C CYS A 52 -9.983 -5.241 -3.787 1.00 0.00 C ATOM 807 O CYS A 52 -10.103 -6.457 -3.833 1.00 0.00 O ATOM 808 CB CYS A 52 -10.795 -4.588 -1.460 1.00 0.00 C ATOM 809 SG CYS A 52 -10.881 -6.103 -0.468 1.00 0.00 S ATOM 0 H CYS A 52 -9.867 -2.469 -2.306 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.806 -5.079 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.707 -3.735 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.734 -4.472 -2.001 1.00 0.00 H new ATOM 814 N MET A 53 -10.120 -4.465 -4.869 1.00 0.00 N ATOM 815 CA MET A 53 -10.436 -4.969 -6.176 1.00 0.00 C ATOM 816 C MET A 53 -9.244 -5.714 -6.756 1.00 0.00 C ATOM 817 O MET A 53 -9.267 -6.932 -6.885 1.00 0.00 O ATOM 818 CB MET A 53 -10.820 -3.811 -7.095 1.00 0.00 C ATOM 819 CG MET A 53 -11.844 -4.257 -8.124 1.00 0.00 C ATOM 820 SD MET A 53 -11.517 -3.500 -9.727 1.00 0.00 S ATOM 821 CE MET A 53 -10.063 -4.474 -10.197 1.00 0.00 C ATOM 0 H MET A 53 -10.009 -3.451 -4.841 1.00 0.00 H new ATOM 0 HA MET A 53 -11.275 -5.660 -6.095 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.226 -2.990 -6.503 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.932 -3.431 -7.600 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.821 -5.343 -8.219 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.845 -3.987 -7.787 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.198 -4.866 -11.205 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.176 -3.841 -10.169 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.939 -5.302 -9.500 1.00 0.00 H new ATOM 831 N GLN A 54 -8.188 -4.965 -7.096 1.00 0.00 N ATOM 832 CA GLN A 54 -6.999 -5.552 -7.665 1.00 0.00 C ATOM 833 C GLN A 54 -6.271 -6.374 -6.624 1.00 0.00 C ATOM 834 O GLN A 54 -5.509 -7.255 -6.974 1.00 0.00 O ATOM 835 CB GLN A 54 -6.045 -4.471 -8.168 1.00 0.00 C ATOM 836 CG GLN A 54 -6.228 -4.242 -9.670 1.00 0.00 C ATOM 837 CD GLN A 54 -6.525 -2.789 -10.017 1.00 0.00 C ATOM 838 OE1 GLN A 54 -6.877 -1.948 -9.203 1.00 0.00 O ATOM 839 NE2 GLN A 54 -6.522 -2.485 -11.290 1.00 0.00 N ATOM 0 H GLN A 54 -8.146 -3.952 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.310 -6.184 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.225 -3.541 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.015 -4.764 -7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.325 -4.558 -10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.042 -4.870 -10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.230 -3.178 -11.979 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.811 -1.555 -11.593 1.00 0.00 H new ATOM 848 N LEU A 55 -6.480 -6.094 -5.340 1.00 0.00 N ATOM 849 CA LEU A 55 -5.881 -6.870 -4.281 1.00 0.00 C ATOM 850 C LEU A 55 -6.319 -8.327 -4.362 1.00 0.00 C ATOM 851 O LEU A 55 -5.526 -9.205 -4.056 1.00 0.00 O ATOM 852 CB LEU A 55 -6.272 -6.255 -2.956 1.00 0.00 C ATOM 853 CG LEU A 55 -5.270 -5.288 -2.333 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.937 -4.146 -1.570 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.236 -6.007 -1.467 1.00 0.00 C ATOM 0 H LEU A 55 -7.067 -5.326 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.796 -6.857 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.217 -5.728 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.455 -7.062 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.739 -4.835 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.172 -3.493 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.569 -3.575 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.547 -4.554 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.544 -5.278 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.742 -6.536 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.683 -6.721 -2.078 1.00 0.00 H new ATOM 867 N LYS A 56 -7.533 -8.571 -4.874 1.00 0.00 N ATOM 868 CA LYS A 56 -8.008 -9.922 -5.135 1.00 0.00 C ATOM 869 C LYS A 56 -7.510 -10.474 -6.475 1.00 0.00 C ATOM 870 O LYS A 56 -7.929 -11.546 -6.901 1.00 0.00 O ATOM 871 CB LYS A 56 -9.532 -9.929 -5.013 1.00 0.00 C ATOM 872 CG LYS A 56 -10.050 -11.371 -4.922 1.00 0.00 C ATOM 873 CD LYS A 56 -11.060 -11.519 -3.783 1.00 0.00 C ATOM 874 CE LYS A 56 -11.965 -12.733 -4.021 1.00 0.00 C ATOM 875 NZ LYS A 56 -13.392 -12.332 -3.955 1.00 0.00 N ATOM 0 H LYS A 56 -8.202 -7.840 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.591 -10.602 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.836 -9.369 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.975 -9.429 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.516 -11.654 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.214 -12.052 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.534 -11.631 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.666 -10.616 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.748 -13.172 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.761 -13.500 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.994 -13.164 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.598 -11.934 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.586 -11.616 -4.684 1.00 0.00 H new ATOM 889 N ASN A 57 -6.693 -9.709 -7.173 1.00 0.00 N ATOM 890 CA ASN A 57 -6.054 -10.086 -8.412 1.00 0.00 C ATOM 891 C ASN A 57 -4.563 -10.343 -8.220 1.00 0.00 C ATOM 892 O ASN A 57 -3.918 -10.872 -9.119 1.00 0.00 O ATOM 893 CB ASN A 57 -6.246 -8.967 -9.447 1.00 0.00 C ATOM 894 CG ASN A 57 -7.186 -9.373 -10.553 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.204 -10.492 -11.029 1.00 0.00 O ATOM 896 ND2 ASN A 57 -8.020 -8.452 -10.973 1.00 0.00 N ATOM 0 H ASN A 57 -6.448 -8.765 -6.875 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.516 -11.010 -8.761 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.634 -8.077 -8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.280 -8.698 -9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.694 -8.671 -11.707 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.995 -7.517 -10.566 1.00 0.00 H new ATOM 903 N LEU A 58 -4.005 -9.866 -7.104 1.00 0.00 N ATOM 904 CA LEU A 58 -2.614 -10.074 -6.794 1.00 0.00 C ATOM 905 C LEU A 58 -2.376 -11.506 -6.313 1.00 0.00 C ATOM 906 O LEU A 58 -3.302 -12.286 -6.107 1.00 0.00 O ATOM 907 CB LEU A 58 -2.155 -9.013 -5.780 1.00 0.00 C ATOM 908 CG LEU A 58 -1.397 -7.844 -6.425 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.810 -6.961 -5.326 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.274 -8.329 -7.346 1.00 0.00 C ATOM 0 H LEU A 58 -4.514 -9.329 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.008 -9.953 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.026 -8.625 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.515 -9.485 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.103 -7.279 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.270 -6.129 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.615 -6.575 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.125 -7.548 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.236 -7.470 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.438 -8.921 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.696 -8.942 -8.142 1.00 0.00 H new ATOM 922 N ASP A 59 -1.108 -11.846 -6.124 1.00 0.00 N ATOM 923 CA ASP A 59 -0.749 -13.169 -5.673 1.00 0.00 C ATOM 924 C ASP A 59 -1.120 -13.295 -4.214 1.00 0.00 C ATOM 925 O ASP A 59 -0.751 -12.419 -3.427 1.00 0.00 O ATOM 926 CB ASP A 59 0.754 -13.392 -5.858 1.00 0.00 C ATOM 927 CG ASP A 59 1.083 -14.729 -6.508 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.457 -15.739 -6.128 1.00 0.00 O ATOM 929 OD2 ASP A 59 2.109 -14.784 -7.219 1.00 0.00 O ATOM 0 H ASP A 59 -0.318 -11.220 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.282 -13.921 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.162 -12.587 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.246 -13.336 -4.887 1.00 0.00 H new ATOM 934 N GLU A 60 -1.705 -14.418 -3.823 1.00 0.00 N ATOM 935 CA GLU A 60 -2.054 -14.674 -2.433 1.00 0.00 C ATOM 936 C GLU A 60 -0.812 -14.748 -1.545 1.00 0.00 C ATOM 937 O GLU A 60 -0.882 -14.623 -0.327 1.00 0.00 O ATOM 938 CB GLU A 60 -2.853 -15.978 -2.316 1.00 0.00 C ATOM 939 CG GLU A 60 -4.181 -15.751 -1.596 1.00 0.00 C ATOM 940 CD GLU A 60 -4.436 -16.808 -0.533 1.00 0.00 C ATOM 941 OE1 GLU A 60 -3.886 -16.652 0.579 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.174 -17.763 -0.856 1.00 0.00 O ATOM 0 H GLU A 60 -1.951 -15.176 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.667 -13.840 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.040 -16.383 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.266 -16.720 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.180 -14.764 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.994 -15.762 -2.322 1.00 0.00 H new ATOM 949 N LYS A 61 0.361 -14.891 -2.174 1.00 0.00 N ATOM 950 CA LYS A 61 1.636 -14.875 -1.483 1.00 0.00 C ATOM 951 C LYS A 61 2.310 -13.510 -1.580 1.00 0.00 C ATOM 952 O LYS A 61 3.324 -13.268 -0.934 1.00 0.00 O ATOM 953 CB LYS A 61 2.493 -16.010 -2.043 1.00 0.00 C ATOM 954 CG LYS A 61 3.031 -15.682 -3.444 1.00 0.00 C ATOM 955 CD LYS A 61 3.668 -16.918 -4.083 1.00 0.00 C ATOM 956 CE LYS A 61 3.103 -17.149 -5.490 1.00 0.00 C ATOM 957 NZ LYS A 61 3.664 -18.384 -6.077 1.00 0.00 N ATOM 0 H LYS A 61 0.442 -15.021 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 61 1.491 -15.041 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.328 -16.201 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.902 -16.925 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.220 -15.318 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.767 -14.881 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.749 -16.791 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.480 -17.793 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.016 -17.222 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.339 -16.297 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.271 -18.525 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.699 -18.300 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.418 -19.197 -5.477 1.00 0.00 H new ATOM 971 N CYS A 62 1.798 -12.633 -2.436 1.00 0.00 N ATOM 972 CA CYS A 62 2.258 -11.275 -2.564 1.00 0.00 C ATOM 973 C CYS A 62 1.462 -10.359 -1.643 1.00 0.00 C ATOM 974 O CYS A 62 1.851 -9.216 -1.419 1.00 0.00 O ATOM 975 CB CYS A 62 2.160 -10.826 -4.015 1.00 0.00 C ATOM 976 SG CYS A 62 3.404 -11.575 -5.097 1.00 0.00 S ATOM 0 H CYS A 62 1.033 -12.862 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 62 3.304 -11.221 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.168 -11.069 -4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.260 -9.741 -4.058 1.00 0.00 H new ATOM 981 N MET A 63 0.417 -10.855 -1.006 1.00 0.00 N ATOM 982 CA MET A 63 -0.404 -10.080 -0.115 1.00 0.00 C ATOM 983 C MET A 63 0.218 -9.994 1.260 1.00 0.00 C ATOM 984 O MET A 63 -0.375 -10.377 2.243 1.00 0.00 O ATOM 985 CB MET A 63 -1.776 -10.715 -0.042 1.00 0.00 C ATOM 986 CG MET A 63 -2.399 -10.922 -1.406 1.00 0.00 C ATOM 987 SD MET A 63 -4.175 -10.699 -1.426 1.00 0.00 S ATOM 988 CE MET A 63 -4.684 -12.381 -1.027 1.00 0.00 C ATOM 0 H MET A 63 0.116 -11.825 -1.100 1.00 0.00 H new ATOM 0 HA MET A 63 -0.490 -9.063 -0.497 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.700 -11.676 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.431 -10.086 0.560 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.946 -10.226 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.164 -11.928 -1.754 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.672 -12.363 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.719 -12.977 -1.939 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.969 -12.822 -0.332 1.00 0.00 H new ATOM 998 N CYS A 64 1.459 -9.561 1.354 1.00 0.00 N ATOM 999 CA CYS A 64 2.194 -9.497 2.603 1.00 0.00 C ATOM 1000 C CYS A 64 3.499 -8.747 2.333 1.00 0.00 C ATOM 1001 O CYS A 64 3.707 -7.661 2.874 1.00 0.00 O ATOM 1002 CB CYS A 64 2.484 -10.901 3.191 1.00 0.00 C ATOM 1003 SG CYS A 64 1.813 -12.387 2.354 1.00 0.00 S ATOM 0 H CYS A 64 1.996 -9.237 0.549 1.00 0.00 H new ATOM 0 HA CYS A 64 1.590 -8.977 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.567 -11.016 3.242 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.114 -10.909 4.216 1.00 0.00 H new ATOM 1008 N PRO A 65 4.341 -9.270 1.419 1.00 0.00 N ATOM 1009 CA PRO A 65 5.599 -8.637 1.064 1.00 0.00 C ATOM 1010 C PRO A 65 5.368 -7.444 0.144 1.00 0.00 C ATOM 1011 O PRO A 65 6.091 -6.463 0.203 1.00 0.00 O ATOM 1012 CB PRO A 65 6.428 -9.723 0.365 1.00 0.00 C ATOM 1013 CG PRO A 65 5.441 -10.801 -0.076 1.00 0.00 C ATOM 1014 CD PRO A 65 4.154 -10.497 0.656 1.00 0.00 C ATOM 0 HA PRO A 65 6.114 -8.248 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.963 -9.312 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.177 -10.135 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.293 -10.779 -1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.809 -11.796 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.333 -10.383 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.891 -11.321 1.320 1.00 0.00 H new ATOM 1022 N ALA A 66 4.351 -7.511 -0.713 1.00 0.00 N ATOM 1023 CA ALA A 66 4.021 -6.434 -1.597 1.00 0.00 C ATOM 1024 C ALA A 66 3.523 -5.271 -0.777 1.00 0.00 C ATOM 1025 O ALA A 66 4.054 -4.202 -0.953 1.00 0.00 O ATOM 1026 CB ALA A 66 2.974 -6.889 -2.593 1.00 0.00 C ATOM 0 H ALA A 66 3.741 -8.323 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 66 4.902 -6.121 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.727 -6.065 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.363 -7.725 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.077 -7.204 -2.060 1.00 0.00 H new ATOM 1032 N ILE A 67 2.578 -5.471 0.138 1.00 0.00 N ATOM 1033 CA ILE A 67 2.032 -4.408 0.982 1.00 0.00 C ATOM 1034 C ILE A 67 3.128 -3.445 1.454 1.00 0.00 C ATOM 1035 O ILE A 67 2.990 -2.229 1.379 1.00 0.00 O ATOM 1036 CB ILE A 67 1.321 -5.031 2.185 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.193 -5.960 1.705 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.848 -3.919 3.135 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.171 -5.462 2.116 1.00 0.00 C ATOM 0 H ILE A 67 2.164 -6.386 0.317 1.00 0.00 H new ATOM 0 HA ILE A 67 1.321 -3.831 0.392 1.00 0.00 H new ATOM 0 HB ILE A 67 2.006 -5.657 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.234 -6.047 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.350 -6.959 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.342 -4.363 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.708 -3.345 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.159 -3.259 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.934 -6.151 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.224 -5.400 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.342 -4.474 1.688 1.00 0.00 H new ATOM 1051 N MET A 68 4.279 -4.006 1.831 1.00 0.00 N ATOM 1052 CA MET A 68 5.437 -3.219 2.183 1.00 0.00 C ATOM 1053 C MET A 68 5.835 -2.278 1.067 1.00 0.00 C ATOM 1054 O MET A 68 5.736 -1.085 1.249 1.00 0.00 O ATOM 1055 CB MET A 68 6.616 -4.117 2.495 1.00 0.00 C ATOM 1056 CG MET A 68 6.346 -4.973 3.721 1.00 0.00 C ATOM 1057 SD MET A 68 7.227 -6.542 3.597 1.00 0.00 S ATOM 1058 CE MET A 68 6.345 -7.464 4.873 1.00 0.00 C ATOM 0 H MET A 68 4.423 -5.014 1.897 1.00 0.00 H new ATOM 0 HA MET A 68 5.166 -2.634 3.062 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.824 -4.759 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.505 -3.509 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.660 -4.442 4.620 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.276 -5.156 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.063 -7.958 5.527 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.732 -6.779 5.459 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.706 -8.212 4.405 1.00 0.00 H new ATOM 1068 N MET A 69 6.199 -2.792 -0.106 1.00 0.00 N ATOM 1069 CA MET A 69 6.503 -1.984 -1.258 1.00 0.00 C ATOM 1070 C MET A 69 5.374 -1.059 -1.682 1.00 0.00 C ATOM 1071 O MET A 69 5.631 -0.002 -2.243 1.00 0.00 O ATOM 1072 CB MET A 69 6.864 -2.904 -2.412 1.00 0.00 C ATOM 1073 CG MET A 69 8.244 -3.507 -2.224 1.00 0.00 C ATOM 1074 SD MET A 69 9.513 -2.220 -2.196 1.00 0.00 S ATOM 1075 CE MET A 69 10.806 -3.050 -3.128 1.00 0.00 C ATOM 0 H MET A 69 6.289 -3.794 -0.273 1.00 0.00 H new ATOM 0 HA MET A 69 7.335 -1.336 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.124 -3.701 -2.490 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.833 -2.347 -3.348 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.274 -4.073 -1.293 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.451 -4.210 -3.031 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.673 -2.395 -3.210 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.092 -3.968 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.438 -3.291 -4.125 1.00 0.00 H new ATOM 1085 N MET A 70 4.142 -1.426 -1.368 1.00 0.00 N ATOM 1086 CA MET A 70 2.993 -0.644 -1.706 1.00 0.00 C ATOM 1087 C MET A 70 3.093 0.687 -1.028 1.00 0.00 C ATOM 1088 O MET A 70 2.506 1.616 -1.527 1.00 0.00 O ATOM 1089 CB MET A 70 1.716 -1.380 -1.288 1.00 0.00 C ATOM 1090 CG MET A 70 0.742 -0.535 -0.491 1.00 0.00 C ATOM 1091 SD MET A 70 -0.120 -1.470 0.735 1.00 0.00 S ATOM 1092 CE MET A 70 -0.987 -0.153 1.551 1.00 0.00 C ATOM 0 H MET A 70 3.923 -2.287 -0.866 1.00 0.00 H new ATOM 0 HA MET A 70 2.952 -0.489 -2.784 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.213 -1.747 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.991 -2.253 -0.696 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.283 0.279 -0.009 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.021 -0.080 -1.170 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.451 0.129 2.457 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.051 0.708 0.885 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.992 -0.486 1.812 1.00 0.00 H new ATOM 1102 N LEU A 71 3.633 0.717 0.188 1.00 0.00 N ATOM 1103 CA LEU A 71 3.745 1.920 0.969 1.00 0.00 C ATOM 1104 C LEU A 71 5.168 2.418 0.843 1.00 0.00 C ATOM 1105 O LEU A 71 5.545 3.302 1.590 1.00 0.00 O ATOM 1106 CB LEU A 71 3.350 1.675 2.426 1.00 0.00 C ATOM 1107 CG LEU A 71 1.947 1.099 2.592 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.716 0.691 4.043 1.00 0.00 C ATOM 1109 CD2 LEU A 71 0.889 2.098 2.115 1.00 0.00 C ATOM 0 H LEU A 71 4.006 -0.110 0.654 1.00 0.00 H new ATOM 0 HA LEU A 71 3.057 2.679 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.069 0.992 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.414 2.615 2.974 1.00 0.00 H new ATOM 0 HG LEU A 71 1.857 0.208 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.712 0.281 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.448 -0.064 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.823 1.563 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.103 1.666 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.964 3.014 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.053 2.326 1.062 1.00 0.00 H new ATOM 1121 N ASN A 72 5.943 1.917 -0.108 1.00 0.00 N ATOM 1122 CA ASN A 72 7.303 2.342 -0.364 1.00 0.00 C ATOM 1123 C ASN A 72 7.424 2.881 -1.771 1.00 0.00 C ATOM 1124 O ASN A 72 8.508 3.328 -2.143 1.00 0.00 O ATOM 1125 CB ASN A 72 8.259 1.165 -0.193 1.00 0.00 C ATOM 1126 CG ASN A 72 8.154 0.482 1.156 1.00 0.00 C ATOM 1127 OD1 ASN A 72 7.421 0.868 2.051 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.006 -0.486 1.382 1.00 0.00 N ATOM 0 H ASN A 72 5.629 1.181 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 72 7.561 3.127 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.063 0.433 -0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.281 1.516 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.056 -0.916 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.620 -0.810 0.635 1.00 0.00 H new ATOM 1135 N GLU A 73 6.338 2.783 -2.542 1.00 0.00 N ATOM 1136 CA GLU A 73 6.305 3.227 -3.899 1.00 0.00 C ATOM 1137 C GLU A 73 6.677 4.708 -3.990 1.00 0.00 C ATOM 1138 O GLU A 73 6.876 5.405 -2.972 1.00 0.00 O ATOM 1139 CB GLU A 73 4.917 2.947 -4.507 1.00 0.00 C ATOM 1140 CG GLU A 73 5.019 1.947 -5.672 1.00 0.00 C ATOM 1141 CD GLU A 73 4.025 2.270 -6.792 1.00 0.00 C ATOM 1142 OE1 GLU A 73 2.979 2.889 -6.477 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.393 1.997 -7.948 1.00 0.00 O ATOM 0 H GLU A 73 5.456 2.385 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 73 7.044 2.673 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.253 2.550 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.476 3.879 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.033 1.958 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.834 0.939 -5.302 1.00 0.00 H new ATOM 1150 N PRO A 74 6.724 5.256 -5.204 1.00 0.00 N ATOM 1151 CA PRO A 74 7.008 6.663 -5.426 1.00 0.00 C ATOM 1152 C PRO A 74 5.834 7.562 -5.016 1.00 0.00 C ATOM 1153 O PRO A 74 5.570 8.603 -5.623 1.00 0.00 O ATOM 1154 CB PRO A 74 7.358 6.779 -6.913 1.00 0.00 C ATOM 1155 CG PRO A 74 6.772 5.548 -7.586 1.00 0.00 C ATOM 1156 CD PRO A 74 6.437 4.591 -6.469 1.00 0.00 C ATOM 0 HA PRO A 74 7.834 7.009 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.942 7.691 -7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.438 6.824 -7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.883 5.803 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.486 5.105 -8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.387 4.301 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.024 3.677 -6.561 1.00 0.00 H new ATOM 1164 N MET A 75 5.165 7.212 -3.929 1.00 0.00 N ATOM 1165 CA MET A 75 4.045 7.944 -3.421 1.00 0.00 C ATOM 1166 C MET A 75 3.766 7.553 -1.994 1.00 0.00 C ATOM 1167 O MET A 75 2.643 7.693 -1.554 1.00 0.00 O ATOM 1168 CB MET A 75 2.822 7.661 -4.309 1.00 0.00 C ATOM 1169 CG MET A 75 2.305 8.966 -4.904 1.00 0.00 C ATOM 1170 SD MET A 75 1.334 9.900 -3.693 1.00 0.00 S ATOM 1171 CE MET A 75 2.328 11.397 -3.615 1.00 0.00 C ATOM 0 H MET A 75 5.401 6.391 -3.372 1.00 0.00 H new ATOM 0 HA MET A 75 4.266 9.011 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.092 6.969 -5.106 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.038 7.182 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.145 9.571 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.691 8.752 -5.779 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.878 12.096 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.336 11.147 -3.284 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.373 11.856 -4.603 1.00 0.00 H new ATOM 1181 N TRP A 76 4.765 7.073 -1.256 1.00 0.00 N ATOM 1182 CA TRP A 76 4.598 6.674 0.124 1.00 0.00 C ATOM 1183 C TRP A 76 5.915 6.839 0.843 1.00 0.00 C ATOM 1184 O TRP A 76 6.772 5.971 0.797 1.00 0.00 O ATOM 1185 CB TRP A 76 4.066 5.256 0.180 1.00 0.00 C ATOM 1186 CG TRP A 76 2.752 5.023 -0.488 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.520 4.297 -1.593 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.488 5.618 -0.142 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.182 4.346 -1.918 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.508 5.188 -1.074 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.118 6.540 0.841 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.809 5.611 -1.013 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.206 6.961 0.920 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.159 6.514 -0.004 1.00 0.00 C ATOM 0 H TRP A 76 5.715 6.953 -1.608 1.00 0.00 H new ATOM 0 HA TRP A 76 3.867 7.305 0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.804 4.594 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.976 4.964 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.272 3.754 -2.146 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.752 3.826 -2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.853 6.922 1.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.542 5.255 -1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.503 7.642 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.176 6.871 0.063 1.00 0.00 H new ATOM 1205 N ILE A 77 6.144 8.032 1.407 1.00 0.00 N ATOM 1206 CA ILE A 77 7.421 8.369 2.033 1.00 0.00 C ATOM 1207 C ILE A 77 7.219 8.548 3.513 1.00 0.00 C ATOM 1208 O ILE A 77 6.696 7.675 4.169 1.00 0.00 O ATOM 1209 CB ILE A 77 8.098 9.580 1.377 1.00 0.00 C ATOM 1210 CG1 ILE A 77 7.956 9.566 -0.145 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.571 9.669 1.816 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.298 8.189 -0.729 1.00 0.00 C ATOM 0 H ILE A 77 5.454 8.782 1.440 1.00 0.00 H new ATOM 0 HA ILE A 77 8.113 7.542 1.877 1.00 0.00 H new ATOM 0 HB ILE A 77 7.585 10.478 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.936 9.835 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.612 10.320 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.040 10.532 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.622 9.776 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.096 8.762 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.186 8.216 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.327 7.932 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.624 7.440 -0.313 1.00 0.00 H new ATOM 1224 N ARG A 78 7.555 9.694 4.080 1.00 0.00 N ATOM 1225 CA ARG A 78 7.301 9.989 5.474 1.00 0.00 C ATOM 1226 C ARG A 78 5.841 10.336 5.737 1.00 0.00 C ATOM 1227 O ARG A 78 5.525 10.976 6.723 1.00 0.00 O ATOM 1228 CB ARG A 78 8.217 11.128 5.914 1.00 0.00 C ATOM 1229 CG ARG A 78 9.655 10.631 6.107 1.00 0.00 C ATOM 1230 CD ARG A 78 10.623 11.401 5.207 1.00 0.00 C ATOM 1231 NE ARG A 78 11.923 11.585 5.864 1.00 0.00 N ATOM 1232 CZ ARG A 78 12.955 12.236 5.354 1.00 0.00 C ATOM 1233 NH1 ARG A 78 12.884 12.761 4.154 1.00 0.00 N ATOM 1234 NH2 ARG A 78 14.070 12.344 6.029 1.00 0.00 N ATOM 0 H ARG A 78 8.017 10.452 3.577 1.00 0.00 H new ATOM 0 HA ARG A 78 7.513 9.094 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.200 11.923 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.848 11.557 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.949 10.750 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.710 9.566 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.759 10.862 4.269 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.197 12.373 4.957 1.00 0.00 H new ATOM 0 HE ARG A 78 12.040 11.177 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.028 12.669 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.685 13.262 3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.148 11.925 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.862 12.848 5.629 1.00 0.00 H new ATOM 1248 N MET A 79 4.968 9.998 4.807 1.00 0.00 N ATOM 1249 CA MET A 79 3.560 10.293 4.881 1.00 0.00 C ATOM 1250 C MET A 79 2.805 9.009 5.109 1.00 0.00 C ATOM 1251 O MET A 79 1.845 8.987 5.846 1.00 0.00 O ATOM 1252 CB MET A 79 3.084 10.950 3.589 1.00 0.00 C ATOM 1253 CG MET A 79 3.952 10.557 2.390 1.00 0.00 C ATOM 1254 SD MET A 79 3.346 11.306 0.878 1.00 0.00 S ATOM 1255 CE MET A 79 2.790 9.806 0.081 1.00 0.00 C ATOM 0 H MET A 79 5.232 9.497 3.958 1.00 0.00 H new ATOM 0 HA MET A 79 3.379 10.984 5.705 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.050 10.664 3.397 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.098 12.034 3.707 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.982 10.868 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.960 9.472 2.284 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.258 10.057 -0.837 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.650 9.181 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.122 9.264 0.751 1.00 0.00 H new ATOM 1265 N ARG A 80 3.283 7.899 4.548 1.00 0.00 N ATOM 1266 CA ARG A 80 2.665 6.627 4.759 1.00 0.00 C ATOM 1267 C ARG A 80 2.685 6.222 6.205 1.00 0.00 C ATOM 1268 O ARG A 80 1.903 5.391 6.549 1.00 0.00 O ATOM 1269 CB ARG A 80 3.358 5.510 3.997 1.00 0.00 C ATOM 1270 CG ARG A 80 4.862 5.561 4.213 1.00 0.00 C ATOM 1271 CD ARG A 80 5.469 4.224 4.586 1.00 0.00 C ATOM 1272 NE ARG A 80 6.900 4.357 4.909 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.882 4.436 4.023 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.656 4.417 2.760 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.133 4.584 4.390 1.00 0.00 N ATOM 0 H ARG A 80 4.103 7.874 3.942 1.00 0.00 H new ATOM 0 HA ARG A 80 1.643 6.758 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.971 4.545 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.136 5.597 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.339 5.925 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.083 6.283 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.938 3.807 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.344 3.523 3.761 1.00 0.00 H new ATOM 0 HE ARG A 80 7.156 4.391 5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.700 4.339 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.433 4.480 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.371 4.641 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.868 4.642 3.685 1.00 0.00 H new ATOM 1289 N ASP A 81 3.552 6.770 7.045 1.00 0.00 N ATOM 1290 CA ASP A 81 3.591 6.488 8.476 1.00 0.00 C ATOM 1291 C ASP A 81 2.186 6.413 9.091 1.00 0.00 C ATOM 1292 O ASP A 81 1.908 5.575 9.940 1.00 0.00 O ATOM 1293 CB ASP A 81 4.322 7.632 9.188 1.00 0.00 C ATOM 1294 CG ASP A 81 5.345 7.160 10.217 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.943 6.518 11.203 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.542 7.413 9.950 1.00 0.00 O ATOM 0 H ASP A 81 4.263 7.437 6.746 1.00 0.00 H new ATOM 0 HA ASP A 81 4.092 5.528 8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.826 8.248 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.588 8.268 9.683 1.00 0.00 H new ATOM 1301 N GLN A 82 1.263 7.226 8.545 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.129 7.128 8.905 1.00 0.00 C ATOM 1303 C GLN A 82 -0.923 6.075 8.135 1.00 0.00 C ATOM 1304 O GLN A 82 -1.656 5.275 8.720 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.767 8.475 8.693 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.979 8.663 9.588 1.00 0.00 C ATOM 1307 CD GLN A 82 -1.594 9.435 10.837 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -1.471 8.900 11.923 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.414 10.733 10.696 1.00 0.00 N ATOM 0 H GLN A 82 1.473 7.949 7.857 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.155 6.810 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.038 9.260 8.896 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.064 8.578 7.649 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.760 9.198 9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.390 7.692 9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.521 11.166 9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.168 11.304 11.504 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.783 6.062 6.813 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.388 5.052 5.967 1.00 0.00 C ATOM 1320 C VAL A 83 -0.877 3.662 6.313 1.00 0.00 C ATOM 1321 O VAL A 83 -1.463 2.692 5.881 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.201 5.374 4.482 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.319 6.862 4.245 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.114 4.879 3.935 1.00 0.00 C ATOM 0 H VAL A 83 -0.242 6.759 6.300 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.460 5.061 6.162 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.994 4.848 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.183 7.073 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.305 7.204 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.554 7.384 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.189 5.137 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.934 5.345 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.171 3.797 4.049 1.00 0.00 H new ATOM 1334 N MET A 84 0.157 3.533 7.129 1.00 0.00 N ATOM 1335 CA MET A 84 0.798 2.308 7.504 1.00 0.00 C ATOM 1336 C MET A 84 -0.100 1.574 8.462 1.00 0.00 C ATOM 1337 O MET A 84 -0.543 0.473 8.156 1.00 0.00 O ATOM 1338 CB MET A 84 2.128 2.604 8.195 1.00 0.00 C ATOM 1339 CG MET A 84 3.285 2.054 7.378 1.00 0.00 C ATOM 1340 SD MET A 84 4.683 1.606 8.424 1.00 0.00 S ATOM 1341 CE MET A 84 5.626 3.141 8.324 1.00 0.00 C ATOM 0 H MET A 84 0.591 4.344 7.570 1.00 0.00 H new ATOM 0 HA MET A 84 0.985 1.705 6.615 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.246 3.680 8.325 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.134 2.160 9.190 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.953 1.179 6.819 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.601 2.798 6.647 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.638 2.925 7.982 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.143 3.820 7.621 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.667 3.607 9.308 1.00 0.00 H new ATOM 1351 N SER A 85 -0.443 2.227 9.583 1.00 0.00 N ATOM 1352 CA SER A 85 -1.343 1.640 10.559 1.00 0.00 C ATOM 1353 C SER A 85 -2.743 1.518 9.980 1.00 0.00 C ATOM 1354 O SER A 85 -3.598 0.898 10.590 1.00 0.00 O ATOM 1355 CB SER A 85 -1.397 2.495 11.825 1.00 0.00 C ATOM 1356 OG SER A 85 -1.957 1.768 12.907 1.00 0.00 O ATOM 0 H SER A 85 -0.106 3.159 9.826 1.00 0.00 H new ATOM 0 HA SER A 85 -0.966 0.649 10.811 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.392 2.827 12.087 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.990 3.390 11.638 1.00 0.00 H new ATOM 0 HG SER A 85 -2.631 1.143 12.567 1.00 0.00 H new ATOM 1362 N MET A 86 -2.990 2.071 8.798 1.00 0.00 N ATOM 1363 CA MET A 86 -4.255 1.977 8.123 1.00 0.00 C ATOM 1364 C MET A 86 -4.261 0.861 7.102 1.00 0.00 C ATOM 1365 O MET A 86 -5.209 0.085 7.033 1.00 0.00 O ATOM 1366 CB MET A 86 -4.514 3.298 7.441 1.00 0.00 C ATOM 1367 CG MET A 86 -4.966 4.364 8.428 1.00 0.00 C ATOM 1368 SD MET A 86 -6.504 3.858 9.239 1.00 0.00 S ATOM 1369 CE MET A 86 -7.215 5.473 9.564 1.00 0.00 C ATOM 0 H MET A 86 -2.293 2.607 8.281 1.00 0.00 H new ATOM 0 HA MET A 86 -5.035 1.752 8.850 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.607 3.631 6.937 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.276 3.167 6.673 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.190 4.530 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.115 5.311 7.908 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.176 5.353 10.065 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.542 6.045 10.202 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.360 6.003 8.623 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.158 0.669 6.402 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.993 -0.380 5.438 1.00 0.00 C ATOM 1381 C ALA A 87 -2.437 -1.627 6.112 1.00 0.00 C ATOM 1382 O ALA A 87 -1.770 -2.437 5.497 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.112 0.112 4.314 1.00 0.00 C ATOM 0 H ALA A 87 -2.333 1.261 6.498 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.957 -0.655 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.983 -0.682 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.577 0.976 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.139 0.398 4.713 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.692 -1.786 7.405 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.251 -2.945 8.142 1.00 0.00 C ATOM 1391 C HIS A 88 -3.431 -3.851 8.412 1.00 0.00 C ATOM 1392 O HIS A 88 -3.271 -5.049 8.520 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.545 -2.493 9.419 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.411 -2.388 10.653 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.106 -2.954 11.870 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.619 -1.752 10.778 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -3.093 -2.624 12.732 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -4.008 -1.856 12.096 1.00 0.00 N ATOM 0 H HIS A 88 -3.211 -1.110 7.965 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.531 -3.522 7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.733 -3.189 9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.091 -1.520 9.234 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.166 -1.259 9.988 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.144 -2.926 13.768 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.835 -1.431 12.516 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.614 -3.262 8.576 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.829 -3.979 8.819 1.00 0.00 C ATOM 1409 C ASN A 89 -6.702 -3.908 7.604 1.00 0.00 C ATOM 1410 O ASN A 89 -7.556 -4.730 7.481 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.617 -3.368 9.975 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.214 -4.021 11.279 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.956 -4.127 12.229 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -4.960 -4.402 11.377 1.00 0.00 N ATOM 0 H ASN A 89 -4.740 -2.250 8.540 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.558 -5.007 9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.433 -2.295 10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.686 -3.501 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.611 -4.788 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.336 -4.312 10.575 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.515 -2.940 6.713 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.224 -2.889 5.450 1.00 0.00 C ATOM 1423 C LEU A 90 -6.943 -4.116 4.575 1.00 0.00 C ATOM 1424 O LEU A 90 -7.872 -4.750 4.076 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.841 -1.594 4.726 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.710 -0.406 5.122 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.102 0.882 4.572 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.130 -0.577 4.589 1.00 0.00 C ATOM 0 H LEU A 90 -5.863 -2.168 6.852 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.296 -2.900 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.798 -1.360 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.919 -1.750 3.650 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.753 -0.352 6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.726 1.729 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.100 1.015 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.045 0.822 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.735 0.281 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.104 -0.648 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.567 -1.486 5.002 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.663 -4.479 4.405 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.298 -5.649 3.664 1.00 0.00 C ATOM 1442 C PRO A 91 -5.586 -6.908 4.443 1.00 0.00 C ATOM 1443 O PRO A 91 -5.617 -7.968 3.888 1.00 0.00 O ATOM 1444 CB PRO A 91 -3.833 -5.513 3.340 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.288 -4.519 4.338 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.482 -3.858 4.964 1.00 0.00 C ATOM 0 HA PRO A 91 -5.886 -5.730 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.322 -6.472 3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.688 -5.162 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.679 -5.018 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.649 -3.785 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.462 -3.977 6.047 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.479 -2.787 4.760 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.826 -6.839 5.729 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.165 -7.999 6.515 1.00 0.00 C ATOM 1456 C ILE A 92 -7.668 -8.188 6.561 1.00 0.00 C ATOM 1457 O ILE A 92 -8.139 -9.297 6.404 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.558 -7.814 7.901 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.083 -8.221 7.900 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.379 -8.555 8.960 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.647 -8.906 9.192 1.00 0.00 C ATOM 0 H ILE A 92 -5.791 -5.971 6.263 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.759 -8.907 6.068 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.594 -6.757 8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.899 -8.892 7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.468 -7.335 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.926 -8.408 9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.397 -8.166 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.399 -9.619 8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.591 -9.169 9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.801 -8.229 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.237 -9.810 9.342 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.420 -7.122 6.752 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.867 -7.136 6.823 1.00 0.00 C ATOM 1475 C GLU A 93 -10.443 -7.589 5.493 1.00 0.00 C ATOM 1476 O GLU A 93 -11.522 -8.160 5.442 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.426 -5.746 7.179 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.558 -5.577 8.699 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.019 -5.359 9.095 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.787 -6.342 9.023 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.347 -4.199 9.436 1.00 0.00 O ATOM 0 H GLU A 93 -8.025 -6.188 6.866 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.158 -7.832 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.769 -4.973 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.400 -5.611 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.168 -6.461 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.957 -4.730 9.029 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.694 -7.359 4.409 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.085 -7.848 3.112 1.00 0.00 C ATOM 1490 C CYS A 94 -9.651 -9.289 2.910 1.00 0.00 C ATOM 1491 O CYS A 94 -10.089 -9.878 1.924 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.504 -6.948 2.027 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.568 -5.599 1.474 1.00 0.00 S ATOM 0 H CYS A 94 -8.818 -6.837 4.419 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.173 -7.826 3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.571 -6.522 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.254 -7.565 1.164 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.783 -9.814 3.787 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.259 -11.168 3.761 1.00 0.00 C ATOM 1500 C ASN A 95 -7.080 -11.226 2.780 1.00 0.00 C ATOM 1501 O ASN A 95 -6.838 -12.202 2.084 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.365 -12.146 3.349 1.00 0.00 C ATOM 1503 CG ASN A 95 -9.104 -13.518 3.903 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.920 -14.076 4.618 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.971 -14.095 3.589 1.00 0.00 N ATOM 0 H ASN A 95 -8.416 -9.271 4.568 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.909 -11.454 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.328 -11.783 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.426 -12.194 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.758 -15.027 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.302 -13.612 2.990 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.399 -10.124 2.582 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.294 -10.032 1.661 1.00 0.00 C ATOM 1514 C LEU A 96 -4.053 -10.517 2.384 1.00 0.00 C ATOM 1515 O LEU A 96 -3.521 -11.555 2.049 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.159 -8.620 1.095 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.495 -7.950 0.763 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.311 -6.456 0.622 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.138 -8.573 -0.473 1.00 0.00 C ATOM 0 H LEU A 96 -6.602 -9.249 3.066 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.458 -10.665 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.623 -8.001 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.550 -8.659 0.192 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.185 -8.121 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.269 -5.992 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.930 -6.046 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.601 -6.251 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.085 -8.074 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.471 -8.457 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.318 -9.633 -0.294 1.00 0.00 H new ATOM 1531 N MET A 97 -3.653 -9.832 3.448 1.00 0.00 N ATOM 1532 CA MET A 97 -2.497 -10.163 4.237 1.00 0.00 C ATOM 1533 C MET A 97 -2.855 -10.639 5.610 1.00 0.00 C ATOM 1534 O MET A 97 -1.976 -10.597 6.464 1.00 0.00 O ATOM 1535 CB MET A 97 -1.544 -8.968 4.287 1.00 0.00 C ATOM 1536 CG MET A 97 -1.975 -7.933 5.310 1.00 0.00 C ATOM 1537 SD MET A 97 -0.763 -6.640 5.535 1.00 0.00 S ATOM 1538 CE MET A 97 0.068 -7.250 7.003 1.00 0.00 C ATOM 0 H MET A 97 -4.147 -9.007 3.787 1.00 0.00 H new ATOM 0 HA MET A 97 -1.991 -10.999 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.539 -9.317 4.526 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.494 -8.504 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.920 -7.489 4.996 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.156 -8.426 6.265 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.861 -6.558 7.286 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.650 -7.333 7.819 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.498 -8.230 6.797 1.00 0.00 H new ATOM 1548 N SER A 98 -4.115 -11.041 5.823 1.00 0.00 N ATOM 1549 CA SER A 98 -4.623 -11.465 7.126 1.00 0.00 C ATOM 1550 C SER A 98 -3.565 -12.166 7.984 1.00 0.00 C ATOM 1551 O SER A 98 -2.968 -11.620 8.906 1.00 0.00 O ATOM 1552 CB SER A 98 -5.818 -12.391 6.959 1.00 0.00 C ATOM 1553 OG SER A 98 -6.945 -11.877 7.622 1.00 0.00 O ATOM 0 H SER A 98 -4.816 -11.080 5.083 1.00 0.00 H new ATOM 0 HA SER A 98 -4.920 -10.553 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.040 -12.517 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.577 -13.378 7.354 1.00 0.00 H new ATOM 0 HG SER A 98 -7.249 -11.064 7.168 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.238 -13.388 7.617 1.00 0.00 N ATOM 1560 CA GLN A 99 -2.091 -14.077 8.169 1.00 0.00 C ATOM 1561 C GLN A 99 -1.479 -15.076 7.182 1.00 0.00 C ATOM 1562 O GLN A 99 -1.309 -16.254 7.503 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.613 -14.720 9.445 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.785 -14.268 10.634 1.00 0.00 C ATOM 1565 CD GLN A 99 -2.533 -14.474 11.940 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -3.692 -14.851 12.014 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.862 -14.212 13.036 1.00 0.00 N ATOM 0 H GLN A 99 -3.760 -13.931 6.928 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.261 -13.402 8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.658 -14.450 9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.574 -15.806 9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.847 -14.823 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.529 -13.214 10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.894 -13.897 12.978 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.309 -14.323 13.946 1.00 0.00 H new ATOM 1576 N PRO A 100 -1.223 -14.646 5.936 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.673 -15.522 4.915 1.00 0.00 C ATOM 1578 C PRO A 100 0.803 -15.799 5.179 1.00 0.00 C ATOM 1579 O PRO A 100 1.139 -16.794 5.817 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.904 -14.807 3.577 1.00 0.00 C ATOM 1581 CG PRO A 100 -1.145 -13.352 3.928 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.369 -13.303 5.415 1.00 0.00 C ATOM 0 HA PRO A 100 -1.157 -16.499 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.040 -14.914 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.759 -15.230 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.291 -12.738 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.010 -12.962 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.651 -12.632 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.363 -12.914 5.638 1.00 0.00 H new ATOM 1590 N CYS A 101 1.682 -14.956 4.624 1.00 0.00 N ATOM 1591 CA CYS A 101 3.096 -15.097 4.807 1.00 0.00 C ATOM 1592 C CYS A 101 3.425 -14.951 6.298 1.00 0.00 C ATOM 1593 O CYS A 101 2.559 -14.777 7.159 1.00 0.00 O ATOM 1594 CB CYS A 101 3.847 -14.072 3.954 1.00 0.00 C ATOM 1595 SG CYS A 101 3.256 -13.794 2.262 1.00 0.00 S ATOM 0 H CYS A 101 1.414 -14.164 4.040 1.00 0.00 H new ATOM 0 HA CYS A 101 3.418 -16.085 4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.825 -13.117 4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 101 4.891 -14.381 3.899 1.00 0.00 H new ATOM 1600 N GLN A 102 4.706 -14.993 6.613 1.00 0.00 N ATOM 1601 CA GLN A 102 5.155 -14.845 7.985 1.00 0.00 C ATOM 1602 C GLN A 102 6.159 -13.712 8.101 1.00 0.00 C ATOM 1603 O GLN A 102 6.436 -13.033 7.103 1.00 0.00 O ATOM 1604 CB GLN A 102 5.743 -16.167 8.473 1.00 0.00 C ATOM 1605 CG GLN A 102 4.690 -17.282 8.459 1.00 0.00 C ATOM 1606 CD GLN A 102 4.172 -17.638 9.845 1.00 0.00 C ATOM 1607 OE1 GLN A 102 4.563 -17.118 10.877 1.00 0.00 O ATOM 1608 NE2 GLN A 102 3.271 -18.584 9.907 1.00 0.00 N ATOM 0 H GLN A 102 5.456 -15.129 5.935 1.00 0.00 H new ATOM 0 HA GLN A 102 4.305 -14.590 8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.584 -16.450 7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.132 -16.044 9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.852 -16.973 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.120 -18.172 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.936 -19.026 9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.903 -18.879 10.811 1.00 0.00 H new ATOM 1617 N MET A 103 6.672 -13.512 9.313 1.00 0.00 N ATOM 1618 CA MET A 103 7.696 -12.512 9.600 1.00 0.00 C ATOM 1619 C MET A 103 9.015 -13.119 10.131 1.00 0.00 C ATOM 1620 O MET A 103 9.376 -14.207 9.632 1.00 0.00 O ATOM 1621 CB MET A 103 7.082 -11.500 10.571 1.00 0.00 C ATOM 1622 CG MET A 103 6.771 -12.164 11.920 1.00 0.00 C ATOM 1623 SD MET A 103 6.820 -10.946 13.256 1.00 0.00 S ATOM 1624 CE MET A 103 6.087 -11.931 14.566 1.00 0.00 C ATOM 1625 OXT MET A 103 9.594 -12.506 11.057 1.00 0.00 O ATOM 0 H MET A 103 6.384 -14.047 10.133 1.00 0.00 H new ATOM 0 HA MET A 103 7.992 -12.018 8.674 1.00 0.00 H new ATOM 0 HB2 MET A 103 7.770 -10.667 10.720 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.168 -11.087 10.144 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.787 -12.632 11.883 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.493 -12.956 12.116 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.034 -11.339 15.480 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.083 -12.237 14.273 1.00 0.00 H new ATOM 0 HE3 MET A 103 6.699 -12.816 14.742 1.00 0.00 H new TER 1635 MET A 103