USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 896 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 1 MET CE :methyl -127:sc= -0.184 (180deg=-3.03!) USER MOD Set 1.2: A 8 GLN : amide:sc= -1.33 X(o=-1.5,f=-1.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.83 X(o=-0.83,f=-0.64) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= -0.77 (180deg=-1.09) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 29 MET CE :methyl 143:sc= -0.741 (180deg=-0.979) USER MOD Single : A 33 SER OG : rot 46:sc= 0.104 USER MOD Single : A 39 CYS SG : rot 68:sc= -12.5! USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.613 (180deg=-1.29) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -4.71! C(o=-5.6!,f=-4.7!) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.167) USER MOD Single : A 78 CYS SG : rot -82:sc= -10.6! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.469 K(o=-0.47,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.00221 (180deg=0.000187) USER MOD Single : A 95 LYS NZ :NH3+ -136:sc= 0.101 (180deg=-0.56) USER MOD Single : A 97 TYR OH : rot -15:sc= -0.803 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.866 -0.617 -18.364 1.00 1.00 N ATOM 2 CA MET A 1 -11.366 -1.099 -19.686 1.00 1.00 C ATOM 3 C MET A 1 -10.179 -1.317 -20.634 1.00 1.00 C ATOM 4 O MET A 1 -9.555 -0.374 -21.090 1.00 1.00 O ATOM 5 CB MET A 1 -12.322 -0.059 -20.282 1.00 1.00 C ATOM 6 CG MET A 1 -13.270 -0.737 -21.274 1.00 1.00 C ATOM 7 SD MET A 1 -12.555 -0.673 -22.936 1.00 1.00 S ATOM 8 CE MET A 1 -13.555 -1.994 -23.667 1.00 1.00 C ATOM 0 H1 MET A 1 -11.670 -0.469 -17.722 1.00 1.00 H new ATOM 0 H2 MET A 1 -10.223 -1.326 -17.957 1.00 1.00 H new ATOM 0 H3 MET A 1 -10.356 0.280 -18.492 1.00 1.00 H new ATOM 0 HA MET A 1 -11.898 -2.041 -19.553 1.00 1.00 H new ATOM 0 HB2 MET A 1 -12.894 0.421 -19.488 1.00 1.00 H new ATOM 0 HB3 MET A 1 -11.755 0.725 -20.784 1.00 1.00 H new ATOM 0 HG2 MET A 1 -13.441 -1.773 -20.980 1.00 1.00 H new ATOM 0 HG3 MET A 1 -14.240 -0.239 -21.265 1.00 1.00 H new ATOM 0 HE1 MET A 1 -12.900 -2.731 -24.132 1.00 1.00 H new ATOM 0 HE2 MET A 1 -14.148 -2.475 -22.889 1.00 1.00 H new ATOM 0 HE3 MET A 1 -14.220 -1.572 -24.421 1.00 1.00 H new ATOM 20 N ALA A 2 -9.865 -2.557 -20.929 1.00 1.00 N ATOM 21 CA ALA A 2 -8.722 -2.854 -21.846 1.00 1.00 C ATOM 22 C ALA A 2 -8.983 -4.174 -22.582 1.00 1.00 C ATOM 23 O ALA A 2 -8.763 -5.249 -22.050 1.00 1.00 O ATOM 24 CB ALA A 2 -7.427 -2.959 -21.031 1.00 1.00 C ATOM 0 H ALA A 2 -10.354 -3.378 -20.572 1.00 1.00 H new ATOM 0 HA ALA A 2 -8.623 -2.051 -22.577 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.593 -3.176 -21.699 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -7.244 -2.016 -20.516 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -7.522 -3.760 -20.298 1.00 1.00 H new ATOM 30 N GLU A 3 -9.452 -4.095 -23.806 1.00 1.00 N ATOM 31 CA GLU A 3 -9.732 -5.334 -24.595 1.00 1.00 C ATOM 32 C GLU A 3 -8.415 -5.900 -25.138 1.00 1.00 C ATOM 33 O GLU A 3 -7.709 -5.245 -25.886 1.00 1.00 O ATOM 34 CB GLU A 3 -10.667 -4.997 -25.763 1.00 1.00 C ATOM 35 CG GLU A 3 -11.739 -6.084 -25.900 1.00 1.00 C ATOM 36 CD GLU A 3 -12.986 -5.688 -25.101 1.00 1.00 C ATOM 37 OE1 GLU A 3 -13.729 -4.842 -25.575 1.00 1.00 O ATOM 38 OE2 GLU A 3 -13.178 -6.238 -24.029 1.00 1.00 O ATOM 0 H GLU A 3 -9.653 -3.221 -24.292 1.00 1.00 H new ATOM 0 HA GLU A 3 -10.209 -6.075 -23.953 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -11.138 -4.028 -25.596 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -10.095 -4.919 -26.688 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -11.997 -6.222 -26.950 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -11.352 -7.037 -25.539 1.00 1.00 H new ATOM 45 N GLN A 4 -8.077 -7.111 -24.760 1.00 1.00 N ATOM 46 CA GLN A 4 -6.803 -7.730 -25.244 1.00 1.00 C ATOM 47 C GLN A 4 -6.985 -9.248 -25.382 1.00 1.00 C ATOM 48 O GLN A 4 -6.707 -10.000 -24.463 1.00 1.00 O ATOM 49 CB GLN A 4 -5.665 -7.420 -24.256 1.00 1.00 C ATOM 50 CG GLN A 4 -6.155 -7.595 -22.812 1.00 1.00 C ATOM 51 CD GLN A 4 -5.052 -8.242 -21.970 1.00 1.00 C ATOM 52 OE1 GLN A 4 -4.290 -7.557 -21.317 1.00 1.00 O ATOM 53 NE2 GLN A 4 -4.934 -9.543 -21.956 1.00 1.00 N ATOM 0 H GLN A 4 -8.631 -7.698 -24.136 1.00 1.00 H new ATOM 0 HA GLN A 4 -6.547 -7.314 -26.218 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -4.820 -8.082 -24.444 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -5.310 -6.400 -24.406 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -6.428 -6.628 -22.390 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -7.051 -8.215 -22.794 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -5.573 -10.119 -22.504 1.00 1.00 H new ATOM 0 HE22 GLN A 4 -4.203 -9.983 -21.397 1.00 1.00 H new ATOM 62 N GLN A 5 -7.456 -9.689 -26.533 1.00 1.00 N ATOM 63 CA GLN A 5 -7.682 -11.155 -26.798 1.00 1.00 C ATOM 64 C GLN A 5 -8.242 -11.865 -25.549 1.00 1.00 C ATOM 65 O GLN A 5 -7.837 -12.967 -25.214 1.00 1.00 O ATOM 66 CB GLN A 5 -6.364 -11.813 -27.249 1.00 1.00 C ATOM 67 CG GLN A 5 -5.301 -11.704 -26.149 1.00 1.00 C ATOM 68 CD GLN A 5 -4.204 -12.744 -26.389 1.00 1.00 C ATOM 69 OE1 GLN A 5 -3.254 -12.488 -27.103 1.00 1.00 O ATOM 70 NE2 GLN A 5 -4.295 -13.916 -25.820 1.00 1.00 N ATOM 0 H GLN A 5 -7.698 -9.081 -27.315 1.00 1.00 H new ATOM 0 HA GLN A 5 -8.420 -11.253 -27.594 1.00 1.00 H new ATOM 0 HB2 GLN A 5 -6.539 -12.861 -27.490 1.00 1.00 H new ATOM 0 HB3 GLN A 5 -6.004 -11.332 -28.159 1.00 1.00 H new ATOM 0 HG2 GLN A 5 -4.871 -10.702 -26.143 1.00 1.00 H new ATOM 0 HG3 GLN A 5 -5.757 -11.861 -25.172 1.00 1.00 H new ATOM 0 HE21 GLN A 5 -5.092 -14.132 -25.221 1.00 1.00 H new ATOM 0 HE22 GLN A 5 -3.569 -14.616 -25.975 1.00 1.00 H new ATOM 79 N GLN A 6 -9.175 -11.243 -24.863 1.00 1.00 N ATOM 80 CA GLN A 6 -9.769 -11.870 -23.642 1.00 1.00 C ATOM 81 C GLN A 6 -11.014 -11.082 -23.214 1.00 1.00 C ATOM 82 O GLN A 6 -12.131 -11.529 -23.407 1.00 1.00 O ATOM 83 CB GLN A 6 -8.736 -11.859 -22.505 1.00 1.00 C ATOM 84 CG GLN A 6 -8.378 -13.297 -22.118 1.00 1.00 C ATOM 85 CD GLN A 6 -7.263 -13.279 -21.070 1.00 1.00 C ATOM 86 OE1 GLN A 6 -7.495 -13.574 -19.914 1.00 1.00 O ATOM 87 NE2 GLN A 6 -6.050 -12.946 -21.426 1.00 1.00 N ATOM 0 H GLN A 6 -9.550 -10.324 -25.100 1.00 1.00 H new ATOM 0 HA GLN A 6 -10.052 -12.899 -23.864 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -7.840 -11.323 -22.820 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -9.137 -11.329 -21.641 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -9.256 -13.808 -21.722 1.00 1.00 H new ATOM 0 HG3 GLN A 6 -8.056 -13.853 -22.999 1.00 1.00 H new ATOM 0 HE21 GLN A 6 -5.853 -12.698 -22.396 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -5.301 -12.934 -20.734 1.00 1.00 H new ATOM 96 N GLU A 7 -10.826 -9.918 -22.632 1.00 1.00 N ATOM 97 CA GLU A 7 -11.988 -9.089 -22.179 1.00 1.00 C ATOM 98 C GLU A 7 -11.482 -7.750 -21.621 1.00 1.00 C ATOM 99 O GLU A 7 -10.291 -7.540 -21.464 1.00 1.00 O ATOM 100 CB GLU A 7 -12.751 -9.839 -21.078 1.00 1.00 C ATOM 101 CG GLU A 7 -14.249 -9.536 -21.185 1.00 1.00 C ATOM 102 CD GLU A 7 -14.777 -9.056 -19.828 1.00 1.00 C ATOM 103 OE1 GLU A 7 -15.162 -9.898 -19.033 1.00 1.00 O ATOM 104 OE2 GLU A 7 -14.787 -7.856 -19.608 1.00 1.00 O ATOM 0 H GLU A 7 -9.911 -9.506 -22.451 1.00 1.00 H new ATOM 0 HA GLU A 7 -12.650 -8.903 -23.025 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -12.580 -10.912 -21.171 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -12.380 -9.541 -20.098 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -14.422 -8.773 -21.944 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -14.789 -10.429 -21.501 1.00 1.00 H new ATOM 111 N GLN A 8 -12.384 -6.846 -21.310 1.00 1.00 N ATOM 112 CA GLN A 8 -11.973 -5.521 -20.751 1.00 1.00 C ATOM 113 C GLN A 8 -11.892 -5.593 -19.213 1.00 1.00 C ATOM 114 O GLN A 8 -11.765 -4.581 -18.546 1.00 1.00 O ATOM 115 CB GLN A 8 -12.991 -4.450 -21.169 1.00 1.00 C ATOM 116 CG GLN A 8 -14.375 -4.788 -20.599 1.00 1.00 C ATOM 117 CD GLN A 8 -15.087 -3.498 -20.184 1.00 1.00 C ATOM 118 OE1 GLN A 8 -14.896 -3.012 -19.086 1.00 1.00 O ATOM 119 NE2 GLN A 8 -15.907 -2.919 -21.019 1.00 1.00 N ATOM 0 H GLN A 8 -13.390 -6.972 -21.421 1.00 1.00 H new ATOM 0 HA GLN A 8 -10.990 -5.260 -21.142 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -12.670 -3.472 -20.810 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -13.042 -4.390 -22.256 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -14.967 -5.319 -21.345 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -14.274 -5.452 -19.741 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -16.068 -3.326 -21.940 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -16.387 -2.060 -20.750 1.00 1.00 H new ATOM 128 N GLN A 9 -11.958 -6.783 -18.647 1.00 1.00 N ATOM 129 CA GLN A 9 -11.881 -6.930 -17.160 1.00 1.00 C ATOM 130 C GLN A 9 -10.474 -7.375 -16.742 1.00 1.00 C ATOM 131 O GLN A 9 -10.269 -7.902 -15.661 1.00 1.00 O ATOM 132 CB GLN A 9 -12.890 -7.980 -16.721 1.00 1.00 C ATOM 133 CG GLN A 9 -14.026 -7.300 -15.961 1.00 1.00 C ATOM 134 CD GLN A 9 -15.138 -8.315 -15.680 1.00 1.00 C ATOM 135 OE1 GLN A 9 -15.097 -9.019 -14.690 1.00 1.00 O ATOM 136 NE2 GLN A 9 -16.136 -8.420 -16.514 1.00 1.00 N ATOM 0 H GLN A 9 -12.062 -7.659 -19.159 1.00 1.00 H new ATOM 0 HA GLN A 9 -12.101 -5.971 -16.690 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -13.283 -8.509 -17.589 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -12.406 -8.723 -16.087 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -13.653 -6.886 -15.024 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -14.419 -6.467 -16.544 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -16.171 -7.829 -17.345 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -16.882 -9.093 -16.335 1.00 1.00 H new ATOM 145 N ILE A 10 -9.517 -7.164 -17.598 1.00 1.00 N ATOM 146 CA ILE A 10 -8.100 -7.557 -17.302 1.00 1.00 C ATOM 147 C ILE A 10 -7.646 -6.934 -15.971 1.00 1.00 C ATOM 148 O ILE A 10 -8.000 -5.814 -15.644 1.00 1.00 O ATOM 149 CB ILE A 10 -7.190 -7.083 -18.449 1.00 1.00 C ATOM 150 CG1 ILE A 10 -5.763 -7.601 -18.229 1.00 1.00 C ATOM 151 CG2 ILE A 10 -7.169 -5.551 -18.504 1.00 1.00 C ATOM 152 CD1 ILE A 10 -5.683 -9.075 -18.636 1.00 1.00 C ATOM 0 H ILE A 10 -9.653 -6.728 -18.510 1.00 1.00 H new ATOM 0 HA ILE A 10 -8.035 -8.642 -17.216 1.00 1.00 H new ATOM 0 HB ILE A 10 -7.579 -7.473 -19.390 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -5.057 -7.013 -18.815 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -5.481 -7.486 -17.182 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -6.522 -5.225 -19.319 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -8.180 -5.179 -18.672 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -6.790 -5.158 -17.561 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -4.668 -9.441 -18.479 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -6.377 -9.658 -18.030 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -5.947 -9.177 -19.689 1.00 1.00 H new ATOM 164 N ARG A 11 -6.866 -7.662 -15.205 1.00 1.00 N ATOM 165 CA ARG A 11 -6.380 -7.137 -13.888 1.00 1.00 C ATOM 166 C ARG A 11 -5.338 -6.028 -14.111 1.00 1.00 C ATOM 167 O ARG A 11 -4.992 -5.700 -15.233 1.00 1.00 O ATOM 168 CB ARG A 11 -5.743 -8.280 -13.090 1.00 1.00 C ATOM 169 CG ARG A 11 -6.842 -9.181 -12.518 1.00 1.00 C ATOM 170 CD ARG A 11 -6.357 -10.633 -12.504 1.00 1.00 C ATOM 171 NE ARG A 11 -7.411 -11.503 -11.907 1.00 1.00 N ATOM 172 CZ ARG A 11 -8.257 -12.131 -12.680 1.00 1.00 C ATOM 173 NH1 ARG A 11 -7.963 -13.320 -13.141 1.00 1.00 N ATOM 174 NH2 ARG A 11 -9.397 -11.570 -12.992 1.00 1.00 N ATOM 0 H ARG A 11 -6.544 -8.602 -15.437 1.00 1.00 H new ATOM 0 HA ARG A 11 -7.224 -6.725 -13.335 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -5.080 -8.860 -13.732 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -5.132 -7.877 -12.282 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -7.099 -8.863 -11.508 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -7.747 -9.095 -13.119 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -6.130 -10.962 -13.518 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -5.435 -10.714 -11.929 1.00 1.00 H new ATOM 0 HE ARG A 11 -7.472 -11.608 -10.894 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -7.074 -13.756 -12.897 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -8.623 -13.811 -13.744 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -9.625 -10.643 -12.632 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -10.058 -12.059 -13.595 1.00 1.00 H new ATOM 188 N VAL A 12 -4.840 -5.450 -13.041 1.00 1.00 N ATOM 189 CA VAL A 12 -3.821 -4.359 -13.166 1.00 1.00 C ATOM 190 C VAL A 12 -2.525 -4.915 -13.780 1.00 1.00 C ATOM 191 O VAL A 12 -2.270 -6.107 -13.750 1.00 1.00 O ATOM 192 CB VAL A 12 -3.531 -3.766 -11.778 1.00 1.00 C ATOM 193 CG1 VAL A 12 -2.627 -4.711 -10.979 1.00 1.00 C ATOM 194 CG2 VAL A 12 -2.834 -2.410 -11.932 1.00 1.00 C ATOM 0 H VAL A 12 -5.097 -5.689 -12.083 1.00 1.00 H new ATOM 0 HA VAL A 12 -4.211 -3.577 -13.818 1.00 1.00 H new ATOM 0 HB VAL A 12 -4.474 -3.636 -11.247 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -2.428 -4.281 -9.997 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -3.123 -5.674 -10.859 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -1.686 -4.851 -11.511 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -2.630 -1.992 -10.946 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -1.896 -2.542 -12.472 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -3.480 -1.730 -12.488 1.00 1.00 H new ATOM 204 N ARG A 13 -1.708 -4.049 -14.328 1.00 1.00 N ATOM 205 CA ARG A 13 -0.424 -4.498 -14.944 1.00 1.00 C ATOM 206 C ARG A 13 0.621 -3.383 -14.804 1.00 1.00 C ATOM 207 O ARG A 13 0.763 -2.534 -15.669 1.00 1.00 O ATOM 208 CB ARG A 13 -0.654 -4.826 -16.426 1.00 1.00 C ATOM 209 CG ARG A 13 -0.064 -6.202 -16.746 1.00 1.00 C ATOM 210 CD ARG A 13 0.856 -6.094 -17.964 1.00 1.00 C ATOM 211 NE ARG A 13 1.167 -7.460 -18.476 1.00 1.00 N ATOM 212 CZ ARG A 13 0.498 -7.947 -19.488 1.00 1.00 C ATOM 213 NH1 ARG A 13 0.912 -7.733 -20.709 1.00 1.00 N ATOM 214 NH2 ARG A 13 -0.586 -8.649 -19.277 1.00 1.00 N ATOM 0 H ARG A 13 -1.878 -3.044 -14.374 1.00 1.00 H new ATOM 0 HA ARG A 13 -0.063 -5.392 -14.437 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -1.721 -4.816 -16.650 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -0.189 -4.065 -17.053 1.00 1.00 H new ATOM 0 HG2 ARG A 13 0.494 -6.578 -15.888 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -0.864 -6.915 -16.944 1.00 1.00 H new ATOM 0 HD2 ARG A 13 0.376 -5.502 -18.744 1.00 1.00 H new ATOM 0 HD3 ARG A 13 1.777 -5.577 -17.693 1.00 1.00 H new ATOM 0 HE ARG A 13 1.902 -8.014 -18.036 1.00 1.00 H new ATOM 0 HH11 ARG A 13 1.757 -7.186 -20.872 1.00 1.00 H new ATOM 0 HH12 ARG A 13 0.390 -8.113 -21.499 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -0.908 -8.816 -18.324 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -1.109 -9.029 -20.066 1.00 1.00 H new ATOM 228 N ILE A 14 1.349 -3.379 -13.712 1.00 1.00 N ATOM 229 CA ILE A 14 2.386 -2.324 -13.495 1.00 1.00 C ATOM 230 C ILE A 14 3.591 -2.935 -12.753 1.00 1.00 C ATOM 231 O ILE A 14 3.462 -3.390 -11.630 1.00 1.00 O ATOM 232 CB ILE A 14 1.775 -1.162 -12.686 1.00 1.00 C ATOM 233 CG1 ILE A 14 2.858 -0.096 -12.406 1.00 1.00 C ATOM 234 CG2 ILE A 14 1.170 -1.683 -11.373 1.00 1.00 C ATOM 235 CD1 ILE A 14 3.405 -0.225 -10.979 1.00 1.00 C ATOM 0 H ILE A 14 1.268 -4.064 -12.960 1.00 1.00 H new ATOM 0 HA ILE A 14 2.729 -1.936 -14.454 1.00 1.00 H new ATOM 0 HB ILE A 14 0.975 -0.704 -13.267 1.00 1.00 H new ATOM 0 HG12 ILE A 14 3.673 -0.204 -13.122 1.00 1.00 H new ATOM 0 HG13 ILE A 14 2.438 0.900 -12.549 1.00 1.00 H new ATOM 0 HG21 ILE A 14 0.743 -0.851 -10.814 1.00 1.00 H new ATOM 0 HG22 ILE A 14 0.389 -2.410 -11.596 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.949 -2.159 -10.777 1.00 1.00 H new ATOM 0 HD11 ILE A 14 4.165 0.538 -10.810 1.00 1.00 H new ATOM 0 HD12 ILE A 14 2.593 -0.092 -10.265 1.00 1.00 H new ATOM 0 HD13 ILE A 14 3.846 -1.213 -10.846 1.00 1.00 H new ATOM 247 N PRO A 15 4.730 -2.931 -13.415 1.00 1.00 N ATOM 248 CA PRO A 15 5.982 -3.480 -12.855 1.00 1.00 C ATOM 249 C PRO A 15 6.632 -2.480 -11.882 1.00 1.00 C ATOM 250 O PRO A 15 6.107 -1.410 -11.635 1.00 1.00 O ATOM 251 CB PRO A 15 6.865 -3.685 -14.090 1.00 1.00 C ATOM 252 CG PRO A 15 6.319 -2.736 -15.183 1.00 1.00 C ATOM 253 CD PRO A 15 4.873 -2.387 -14.783 1.00 1.00 C ATOM 0 HA PRO A 15 5.826 -4.396 -12.284 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.907 -3.458 -13.864 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.830 -4.722 -14.424 1.00 1.00 H new ATOM 0 HG2 PRO A 15 6.929 -1.836 -15.254 1.00 1.00 H new ATOM 0 HG3 PRO A 15 6.345 -3.216 -16.161 1.00 1.00 H new ATOM 0 HD2 PRO A 15 4.704 -1.310 -14.802 1.00 1.00 H new ATOM 0 HD3 PRO A 15 4.152 -2.835 -15.467 1.00 1.00 H new ATOM 261 N ARG A 16 7.777 -2.835 -11.335 1.00 1.00 N ATOM 262 CA ARG A 16 8.498 -1.932 -10.376 1.00 1.00 C ATOM 263 C ARG A 16 7.678 -1.782 -9.086 1.00 1.00 C ATOM 264 O ARG A 16 6.742 -1.003 -9.017 1.00 1.00 O ATOM 265 CB ARG A 16 8.727 -0.551 -11.013 1.00 1.00 C ATOM 266 CG ARG A 16 9.366 -0.711 -12.397 1.00 1.00 C ATOM 267 CD ARG A 16 10.888 -0.607 -12.278 1.00 1.00 C ATOM 268 NE ARG A 16 11.505 -0.797 -13.622 1.00 1.00 N ATOM 269 CZ ARG A 16 11.895 -1.986 -14.002 1.00 1.00 C ATOM 270 NH1 ARG A 16 11.041 -2.808 -14.555 1.00 1.00 N ATOM 271 NH2 ARG A 16 13.139 -2.351 -13.829 1.00 1.00 N ATOM 0 H ARG A 16 8.246 -3.722 -11.516 1.00 1.00 H new ATOM 0 HA ARG A 16 9.466 -2.373 -10.138 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.779 -0.020 -11.100 1.00 1.00 H new ATOM 0 HB3 ARG A 16 9.372 0.051 -10.373 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.090 -1.674 -12.826 1.00 1.00 H new ATOM 0 HG3 ARG A 16 8.991 0.058 -13.072 1.00 1.00 H new ATOM 0 HD2 ARG A 16 11.166 0.366 -11.872 1.00 1.00 H new ATOM 0 HD3 ARG A 16 11.262 -1.360 -11.585 1.00 1.00 H new ATOM 0 HE ARG A 16 11.623 0.001 -14.246 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.071 -2.522 -14.690 1.00 1.00 H new ATOM 0 HH12 ARG A 16 11.345 -3.735 -14.852 1.00 1.00 H new ATOM 0 HH21 ARG A 16 13.804 -1.709 -13.398 1.00 1.00 H new ATOM 0 HH22 ARG A 16 13.444 -3.278 -14.125 1.00 1.00 H new ATOM 285 N LYS A 17 8.027 -2.530 -8.066 1.00 1.00 N ATOM 286 CA LYS A 17 7.281 -2.449 -6.771 1.00 1.00 C ATOM 287 C LYS A 17 8.199 -2.890 -5.624 1.00 1.00 C ATOM 288 O LYS A 17 8.403 -2.163 -4.671 1.00 1.00 O ATOM 289 CB LYS A 17 6.054 -3.366 -6.830 1.00 1.00 C ATOM 290 CG LYS A 17 5.306 -3.313 -5.494 1.00 1.00 C ATOM 291 CD LYS A 17 3.812 -3.556 -5.729 1.00 1.00 C ATOM 292 CE LYS A 17 3.012 -2.359 -5.207 1.00 1.00 C ATOM 293 NZ LYS A 17 3.016 -2.363 -3.716 1.00 1.00 N ATOM 0 H LYS A 17 8.800 -3.196 -8.076 1.00 1.00 H new ATOM 0 HA LYS A 17 6.957 -1.422 -6.601 1.00 1.00 H new ATOM 0 HB2 LYS A 17 5.394 -3.055 -7.640 1.00 1.00 H new ATOM 0 HB3 LYS A 17 6.362 -4.389 -7.045 1.00 1.00 H new ATOM 0 HG2 LYS A 17 5.704 -4.065 -4.813 1.00 1.00 H new ATOM 0 HG3 LYS A 17 5.456 -2.343 -5.020 1.00 1.00 H new ATOM 0 HD2 LYS A 17 3.619 -3.700 -6.792 1.00 1.00 H new ATOM 0 HD3 LYS A 17 3.497 -4.467 -5.221 1.00 1.00 H new ATOM 0 HE2 LYS A 17 3.445 -1.430 -5.579 1.00 1.00 H new ATOM 0 HE3 LYS A 17 1.988 -2.404 -5.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 2.236 -1.771 -3.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 2.894 -3.337 -3.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 3.921 -1.984 -3.370 1.00 1.00 H new ATOM 307 N GLU A 18 8.753 -4.077 -5.716 1.00 1.00 N ATOM 308 CA GLU A 18 9.663 -4.588 -4.640 1.00 1.00 C ATOM 309 C GLU A 18 10.896 -3.679 -4.485 1.00 1.00 C ATOM 310 O GLU A 18 11.612 -3.769 -3.504 1.00 1.00 O ATOM 311 CB GLU A 18 10.121 -6.005 -5.002 1.00 1.00 C ATOM 312 CG GLU A 18 9.996 -6.917 -3.777 1.00 1.00 C ATOM 313 CD GLU A 18 8.663 -7.672 -3.828 1.00 1.00 C ATOM 314 OE1 GLU A 18 7.690 -7.155 -3.305 1.00 1.00 O ATOM 315 OE2 GLU A 18 8.639 -8.756 -4.389 1.00 1.00 O ATOM 0 H GLU A 18 8.612 -4.718 -6.497 1.00 1.00 H new ATOM 0 HA GLU A 18 9.118 -4.595 -3.696 1.00 1.00 H new ATOM 0 HB2 GLU A 18 9.516 -6.395 -5.821 1.00 1.00 H new ATOM 0 HB3 GLU A 18 11.154 -5.986 -5.349 1.00 1.00 H new ATOM 0 HG2 GLU A 18 10.825 -7.624 -3.752 1.00 1.00 H new ATOM 0 HG3 GLU A 18 10.055 -6.325 -2.864 1.00 1.00 H new ATOM 322 N GLU A 19 11.160 -2.819 -5.446 1.00 1.00 N ATOM 323 CA GLU A 19 12.354 -1.923 -5.355 1.00 1.00 C ATOM 324 C GLU A 19 11.980 -0.557 -4.753 1.00 1.00 C ATOM 325 O GLU A 19 12.838 0.140 -4.240 1.00 1.00 O ATOM 326 CB GLU A 19 12.935 -1.718 -6.758 1.00 1.00 C ATOM 327 CG GLU A 19 13.563 -3.027 -7.253 1.00 1.00 C ATOM 328 CD GLU A 19 12.568 -3.774 -8.151 1.00 1.00 C ATOM 329 OE1 GLU A 19 12.476 -3.429 -9.318 1.00 1.00 O ATOM 330 OE2 GLU A 19 11.916 -4.680 -7.655 1.00 1.00 O ATOM 0 H GLU A 19 10.597 -2.702 -6.288 1.00 1.00 H new ATOM 0 HA GLU A 19 13.091 -2.393 -4.704 1.00 1.00 H new ATOM 0 HB2 GLU A 19 12.151 -1.397 -7.444 1.00 1.00 H new ATOM 0 HB3 GLU A 19 13.685 -0.927 -6.740 1.00 1.00 H new ATOM 0 HG2 GLU A 19 14.478 -2.816 -7.806 1.00 1.00 H new ATOM 0 HG3 GLU A 19 13.841 -3.652 -6.404 1.00 1.00 H new ATOM 337 N ASN A 20 10.725 -0.156 -4.814 1.00 1.00 N ATOM 338 CA ASN A 20 10.345 1.179 -4.246 1.00 1.00 C ATOM 339 C ASN A 20 8.919 1.155 -3.673 1.00 1.00 C ATOM 340 O ASN A 20 8.721 1.379 -2.492 1.00 1.00 O ATOM 341 CB ASN A 20 10.434 2.238 -5.353 1.00 1.00 C ATOM 342 CG ASN A 20 10.147 3.624 -4.765 1.00 1.00 C ATOM 343 OD1 ASN A 20 11.019 4.247 -4.193 1.00 1.00 O ATOM 344 ND2 ASN A 20 8.951 4.135 -4.884 1.00 1.00 N ATOM 0 H ASN A 20 9.960 -0.689 -5.227 1.00 1.00 H new ATOM 0 HA ASN A 20 11.032 1.419 -3.435 1.00 1.00 H new ATOM 0 HB2 ASN A 20 11.425 2.222 -5.806 1.00 1.00 H new ATOM 0 HB3 ASN A 20 9.719 2.012 -6.144 1.00 1.00 H new ATOM 0 HD21 ASN A 20 8.749 5.057 -4.497 1.00 1.00 H new ATOM 0 HD22 ASN A 20 8.219 3.612 -5.364 1.00 1.00 H new ATOM 351 N GLU A 21 7.927 0.916 -4.503 1.00 1.00 N ATOM 352 CA GLU A 21 6.506 0.909 -4.020 1.00 1.00 C ATOM 353 C GLU A 21 6.313 -0.139 -2.914 1.00 1.00 C ATOM 354 O GLU A 21 6.495 -1.324 -3.129 1.00 1.00 O ATOM 355 CB GLU A 21 5.567 0.594 -5.193 1.00 1.00 C ATOM 356 CG GLU A 21 4.472 1.664 -5.280 1.00 1.00 C ATOM 357 CD GLU A 21 3.386 1.385 -4.234 1.00 1.00 C ATOM 358 OE1 GLU A 21 2.451 0.668 -4.553 1.00 1.00 O ATOM 359 OE2 GLU A 21 3.506 1.894 -3.133 1.00 1.00 O ATOM 0 H GLU A 21 8.042 0.725 -5.498 1.00 1.00 H new ATOM 0 HA GLU A 21 6.273 1.893 -3.613 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.132 0.561 -6.125 1.00 1.00 H new ATOM 0 HB3 GLU A 21 5.118 -0.390 -5.058 1.00 1.00 H new ATOM 0 HG2 GLU A 21 4.903 2.652 -5.115 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.035 1.669 -6.278 1.00 1.00 H new ATOM 366 N ILE A 22 5.926 0.293 -1.735 1.00 1.00 N ATOM 367 CA ILE A 22 5.697 -0.665 -0.610 1.00 1.00 C ATOM 368 C ILE A 22 4.176 -0.834 -0.433 1.00 1.00 C ATOM 369 O ILE A 22 3.411 0.053 -0.802 1.00 1.00 O ATOM 370 CB ILE A 22 6.359 -0.092 0.656 1.00 1.00 C ATOM 371 CG1 ILE A 22 7.639 -0.876 0.963 1.00 1.00 C ATOM 372 CG2 ILE A 22 5.412 -0.186 1.846 1.00 1.00 C ATOM 373 CD1 ILE A 22 8.856 -0.075 0.496 1.00 1.00 C ATOM 0 H ILE A 22 5.759 1.273 -1.505 1.00 1.00 H new ATOM 0 HA ILE A 22 6.135 -1.643 -0.810 1.00 1.00 H new ATOM 0 HB ILE A 22 6.599 0.957 0.480 1.00 1.00 H new ATOM 0 HG12 ILE A 22 7.709 -1.073 2.033 1.00 1.00 H new ATOM 0 HG13 ILE A 22 7.614 -1.844 0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 22 5.898 0.224 2.731 1.00 1.00 H new ATOM 0 HG22 ILE A 22 4.505 0.381 1.635 1.00 1.00 H new ATOM 0 HG23 ILE A 22 5.154 -1.230 2.024 1.00 1.00 H new ATOM 0 HD11 ILE A 22 9.766 -0.634 0.715 1.00 1.00 H new ATOM 0 HD12 ILE A 22 8.787 0.099 -0.578 1.00 1.00 H new ATOM 0 HD13 ILE A 22 8.884 0.882 1.017 1.00 1.00 H new ATOM 385 N LEU A 23 3.709 -1.946 0.117 1.00 1.00 N ATOM 386 CA LEU A 23 2.206 -2.092 0.265 1.00 1.00 C ATOM 387 C LEU A 23 1.869 -2.320 1.727 1.00 1.00 C ATOM 388 O LEU A 23 2.343 -3.268 2.303 1.00 1.00 O ATOM 389 CB LEU A 23 1.700 -3.272 -0.587 1.00 1.00 C ATOM 390 CG LEU A 23 2.351 -4.590 -0.139 1.00 1.00 C ATOM 391 CD1 LEU A 23 1.325 -5.439 0.616 1.00 1.00 C ATOM 392 CD2 LEU A 23 2.834 -5.367 -1.367 1.00 1.00 C ATOM 0 H LEU A 23 4.272 -2.726 0.456 1.00 1.00 H new ATOM 0 HA LEU A 23 1.717 -1.182 -0.082 1.00 1.00 H new ATOM 0 HB2 LEU A 23 0.616 -3.349 -0.501 1.00 1.00 H new ATOM 0 HB3 LEU A 23 1.924 -3.090 -1.638 1.00 1.00 H new ATOM 0 HG LEU A 23 3.196 -4.368 0.513 1.00 1.00 H new ATOM 0 HD11 LEU A 23 1.788 -6.373 0.933 1.00 1.00 H new ATOM 0 HD12 LEU A 23 0.974 -4.893 1.492 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.481 -5.656 -0.038 1.00 1.00 H new ATOM 0 HD21 LEU A 23 3.296 -6.301 -1.048 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.986 -5.584 -2.017 1.00 1.00 H new ATOM 0 HD23 LEU A 23 3.565 -4.769 -1.912 1.00 1.00 H new ATOM 404 N GLY A 24 1.096 -1.477 2.370 1.00 1.00 N ATOM 405 CA GLY A 24 0.849 -1.730 3.826 1.00 1.00 C ATOM 406 C GLY A 24 -0.592 -1.475 4.257 1.00 1.00 C ATOM 407 O GLY A 24 -1.342 -0.755 3.624 1.00 1.00 O ATOM 0 H GLY A 24 0.641 -0.656 1.970 1.00 1.00 H new ATOM 0 HA2 GLY A 24 1.110 -2.763 4.056 1.00 1.00 H new ATOM 0 HA3 GLY A 24 1.512 -1.095 4.414 1.00 1.00 H new ATOM 411 N ILE A 25 -0.942 -2.045 5.386 1.00 1.00 N ATOM 412 CA ILE A 25 -2.299 -1.847 5.973 1.00 1.00 C ATOM 413 C ILE A 25 -2.152 -0.773 7.055 1.00 1.00 C ATOM 414 O ILE A 25 -1.244 -0.821 7.877 1.00 1.00 O ATOM 415 CB ILE A 25 -2.841 -3.150 6.597 1.00 1.00 C ATOM 416 CG1 ILE A 25 -1.705 -3.963 7.252 1.00 1.00 C ATOM 417 CG2 ILE A 25 -3.530 -3.988 5.517 1.00 1.00 C ATOM 418 CD1 ILE A 25 -1.018 -4.864 6.216 1.00 1.00 C ATOM 0 H ILE A 25 -0.330 -2.650 5.933 1.00 1.00 H new ATOM 0 HA ILE A 25 -3.006 -1.549 5.198 1.00 1.00 H new ATOM 0 HB ILE A 25 -3.562 -2.890 7.372 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -0.974 -3.286 7.694 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -2.107 -4.572 8.062 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.912 -4.908 5.959 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.356 -3.421 5.088 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.813 -4.233 4.734 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -0.220 -5.429 6.697 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -1.748 -5.555 5.794 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -0.598 -4.249 5.420 1.00 1.00 H new ATOM 430 N ILE A 26 -3.009 0.212 7.026 1.00 1.00 N ATOM 431 CA ILE A 26 -2.916 1.334 8.005 1.00 1.00 C ATOM 432 C ILE A 26 -3.904 1.167 9.165 1.00 1.00 C ATOM 433 O ILE A 26 -4.946 0.534 9.050 1.00 1.00 O ATOM 434 CB ILE A 26 -3.182 2.650 7.264 1.00 1.00 C ATOM 435 CG1 ILE A 26 -2.337 3.768 7.875 1.00 1.00 C ATOM 436 CG2 ILE A 26 -4.667 3.030 7.338 1.00 1.00 C ATOM 437 CD1 ILE A 26 -1.607 4.521 6.758 1.00 1.00 C ATOM 0 H ILE A 26 -3.777 0.288 6.359 1.00 1.00 H new ATOM 0 HA ILE A 26 -1.916 1.337 8.439 1.00 1.00 H new ATOM 0 HB ILE A 26 -2.910 2.514 6.217 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -2.972 4.454 8.436 1.00 1.00 H new ATOM 0 HG13 ILE A 26 -1.617 3.351 8.579 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -4.830 3.967 6.805 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -5.267 2.243 6.881 1.00 1.00 H new ATOM 0 HG23 ILE A 26 -4.960 3.150 8.381 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -1.004 5.319 7.191 1.00 1.00 H new ATOM 0 HD12 ILE A 26 -0.961 3.831 6.216 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -2.337 4.950 6.071 1.00 1.00 H new ATOM 449 N GLU A 27 -3.556 1.765 10.277 1.00 1.00 N ATOM 450 CA GLU A 27 -4.406 1.717 11.504 1.00 1.00 C ATOM 451 C GLU A 27 -4.382 3.099 12.174 1.00 1.00 C ATOM 452 O GLU A 27 -3.323 3.664 12.413 1.00 1.00 O ATOM 453 CB GLU A 27 -3.848 0.672 12.479 1.00 1.00 C ATOM 454 CG GLU A 27 -4.083 -0.739 11.927 1.00 1.00 C ATOM 455 CD GLU A 27 -5.271 -1.387 12.645 1.00 1.00 C ATOM 456 OE1 GLU A 27 -5.076 -1.891 13.741 1.00 1.00 O ATOM 457 OE2 GLU A 27 -6.355 -1.374 12.086 1.00 1.00 O ATOM 0 H GLU A 27 -2.694 2.299 10.387 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.427 1.447 11.235 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -2.782 0.838 12.632 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -4.330 0.776 13.451 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.276 -0.692 10.855 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -3.188 -1.346 12.064 1.00 1.00 H new ATOM 464 N GLN A 28 -5.538 3.645 12.471 1.00 1.00 N ATOM 465 CA GLN A 28 -5.597 4.990 13.121 1.00 1.00 C ATOM 466 C GLN A 28 -6.255 4.865 14.503 1.00 1.00 C ATOM 467 O GLN A 28 -7.442 5.100 14.662 1.00 1.00 O ATOM 468 CB GLN A 28 -6.408 5.948 12.237 1.00 1.00 C ATOM 469 CG GLN A 28 -6.337 7.368 12.811 1.00 1.00 C ATOM 470 CD GLN A 28 -7.663 8.092 12.566 1.00 1.00 C ATOM 471 OE1 GLN A 28 -8.584 7.982 13.353 1.00 1.00 O ATOM 472 NE2 GLN A 28 -7.803 8.835 11.501 1.00 1.00 N ATOM 0 H GLN A 28 -6.445 3.214 12.290 1.00 1.00 H new ATOM 0 HA GLN A 28 -4.588 5.383 13.243 1.00 1.00 H new ATOM 0 HB2 GLN A 28 -6.018 5.937 11.219 1.00 1.00 H new ATOM 0 HB3 GLN A 28 -7.446 5.618 12.184 1.00 1.00 H new ATOM 0 HG2 GLN A 28 -6.126 7.328 13.880 1.00 1.00 H new ATOM 0 HG3 GLN A 28 -5.520 7.918 12.345 1.00 1.00 H new ATOM 0 HE21 GLN A 28 -7.032 8.929 10.840 1.00 1.00 H new ATOM 0 HE22 GLN A 28 -8.683 9.321 11.331 1.00 1.00 H new ATOM 481 N MET A 29 -5.487 4.506 15.507 1.00 1.00 N ATOM 482 CA MET A 29 -6.057 4.377 16.884 1.00 1.00 C ATOM 483 C MET A 29 -6.410 5.773 17.412 1.00 1.00 C ATOM 484 O MET A 29 -7.440 5.967 18.032 1.00 1.00 O ATOM 485 CB MET A 29 -5.031 3.716 17.813 1.00 1.00 C ATOM 486 CG MET A 29 -5.458 2.275 18.106 1.00 1.00 C ATOM 487 SD MET A 29 -6.783 2.277 19.341 1.00 1.00 S ATOM 488 CE MET A 29 -8.104 1.661 18.267 1.00 1.00 C ATOM 0 H MET A 29 -4.492 4.297 15.430 1.00 1.00 H new ATOM 0 HA MET A 29 -6.954 3.758 16.852 1.00 1.00 H new ATOM 0 HB2 MET A 29 -4.045 3.727 17.349 1.00 1.00 H new ATOM 0 HB3 MET A 29 -4.952 4.279 18.743 1.00 1.00 H new ATOM 0 HG2 MET A 29 -5.800 1.793 17.190 1.00 1.00 H new ATOM 0 HG3 MET A 29 -4.607 1.699 18.471 1.00 1.00 H new ATOM 0 HE1 MET A 29 -8.753 0.994 18.834 1.00 1.00 H new ATOM 0 HE2 MET A 29 -8.688 2.501 17.890 1.00 1.00 H new ATOM 0 HE3 MET A 29 -7.668 1.117 17.429 1.00 1.00 H new ATOM 498 N LEU A 30 -5.564 6.746 17.156 1.00 1.00 N ATOM 499 CA LEU A 30 -5.834 8.141 17.619 1.00 1.00 C ATOM 500 C LEU A 30 -6.051 9.041 16.398 1.00 1.00 C ATOM 501 O LEU A 30 -5.207 9.122 15.520 1.00 1.00 O ATOM 502 CB LEU A 30 -4.638 8.657 18.426 1.00 1.00 C ATOM 503 CG LEU A 30 -4.594 7.965 19.790 1.00 1.00 C ATOM 504 CD1 LEU A 30 -3.167 8.015 20.341 1.00 1.00 C ATOM 505 CD2 LEU A 30 -5.538 8.682 20.758 1.00 1.00 C ATOM 0 H LEU A 30 -4.691 6.628 16.641 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.724 8.151 18.249 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -3.712 8.468 17.882 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.715 9.736 18.558 1.00 1.00 H new ATOM 0 HG LEU A 30 -4.906 6.927 19.680 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.135 7.522 21.313 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -2.493 7.505 19.653 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -2.855 9.054 20.450 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -5.506 8.189 21.729 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.226 9.721 20.868 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -6.555 8.648 20.367 1.00 1.00 H new ATOM 517 N GLY A 31 -7.173 9.717 16.336 1.00 1.00 N ATOM 518 CA GLY A 31 -7.453 10.618 15.174 1.00 1.00 C ATOM 519 C GLY A 31 -6.713 11.944 15.368 1.00 1.00 C ATOM 520 O GLY A 31 -7.242 12.875 15.948 1.00 1.00 O ATOM 0 H GLY A 31 -7.909 9.683 17.042 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -7.134 10.143 14.246 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -8.525 10.796 15.088 1.00 1.00 H new ATOM 524 N ALA A 32 -5.494 12.033 14.887 1.00 1.00 N ATOM 525 CA ALA A 32 -4.706 13.294 15.039 1.00 1.00 C ATOM 526 C ALA A 32 -4.271 13.801 13.657 1.00 1.00 C ATOM 527 O ALA A 32 -4.776 14.798 13.172 1.00 1.00 O ATOM 528 CB ALA A 32 -3.471 13.024 15.906 1.00 1.00 C ATOM 0 H ALA A 32 -5.011 11.282 14.394 1.00 1.00 H new ATOM 0 HA ALA A 32 -5.324 14.053 15.519 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -2.896 13.943 16.017 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -3.786 12.672 16.888 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -2.851 12.264 15.430 1.00 1.00 H new ATOM 534 N SER A 33 -3.339 13.123 13.024 1.00 1.00 N ATOM 535 CA SER A 33 -2.864 13.559 11.673 1.00 1.00 C ATOM 536 C SER A 33 -2.153 12.394 10.974 1.00 1.00 C ATOM 537 O SER A 33 -2.496 12.028 9.864 1.00 1.00 O ATOM 538 CB SER A 33 -1.893 14.734 11.828 1.00 1.00 C ATOM 539 OG SER A 33 -2.543 15.939 11.443 1.00 1.00 O ATOM 0 H SER A 33 -2.887 12.284 13.388 1.00 1.00 H new ATOM 0 HA SER A 33 -3.719 13.870 11.073 1.00 1.00 H new ATOM 0 HB2 SER A 33 -1.553 14.805 12.861 1.00 1.00 H new ATOM 0 HB3 SER A 33 -1.008 14.572 11.212 1.00 1.00 H new ATOM 0 HG SER A 33 -3.435 15.974 11.848 1.00 1.00 H new ATOM 545 N ARG A 34 -1.166 11.812 11.618 1.00 1.00 N ATOM 546 CA ARG A 34 -0.424 10.668 11.003 1.00 1.00 C ATOM 547 C ARG A 34 -0.930 9.342 11.590 1.00 1.00 C ATOM 548 O ARG A 34 -1.549 9.308 12.640 1.00 1.00 O ATOM 549 CB ARG A 34 1.075 10.818 11.278 1.00 1.00 C ATOM 550 CG ARG A 34 1.669 11.868 10.334 1.00 1.00 C ATOM 551 CD ARG A 34 1.772 13.212 11.061 1.00 1.00 C ATOM 552 NE ARG A 34 2.831 14.046 10.423 1.00 1.00 N ATOM 553 CZ ARG A 34 2.541 14.800 9.396 1.00 1.00 C ATOM 554 NH1 ARG A 34 1.899 15.926 9.572 1.00 1.00 N ATOM 555 NH2 ARG A 34 2.895 14.429 8.193 1.00 1.00 N ATOM 0 H ARG A 34 -0.843 12.083 12.547 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.594 10.669 9.926 1.00 1.00 H new ATOM 0 HB2 ARG A 34 1.237 11.113 12.315 1.00 1.00 H new ATOM 0 HB3 ARG A 34 1.578 9.861 11.137 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.655 11.550 9.994 1.00 1.00 H new ATOM 0 HG3 ARG A 34 1.044 11.970 9.447 1.00 1.00 H new ATOM 0 HD2 ARG A 34 0.814 13.731 11.024 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.007 13.051 12.113 1.00 1.00 H new ATOM 0 HE ARG A 34 3.783 14.028 10.789 1.00 1.00 H new ATOM 0 HH11 ARG A 34 1.625 16.215 10.511 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.673 16.515 8.770 1.00 1.00 H new ATOM 0 HH21 ARG A 34 3.397 13.552 8.057 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.669 15.017 7.391 1.00 1.00 H new ATOM 569 N VAL A 35 -0.678 8.256 10.903 1.00 1.00 N ATOM 570 CA VAL A 35 -1.145 6.914 11.380 1.00 1.00 C ATOM 571 C VAL A 35 0.000 5.909 11.380 1.00 1.00 C ATOM 572 O VAL A 35 1.070 6.143 10.844 1.00 1.00 O ATOM 573 CB VAL A 35 -2.264 6.371 10.505 1.00 1.00 C ATOM 574 CG1 VAL A 35 -3.542 7.152 10.769 1.00 1.00 C ATOM 575 CG2 VAL A 35 -1.859 6.489 9.046 1.00 1.00 C ATOM 0 H VAL A 35 -0.163 8.240 10.023 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.517 7.052 12.395 1.00 1.00 H new ATOM 0 HB VAL A 35 -2.443 5.322 10.739 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -4.343 6.762 10.141 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.821 7.050 11.818 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -3.380 8.205 10.537 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -2.658 6.101 8.414 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -1.679 7.536 8.802 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -0.949 5.915 8.874 1.00 1.00 H new ATOM 585 N ARG A 36 -0.246 4.791 11.988 1.00 1.00 N ATOM 586 CA ARG A 36 0.791 3.704 12.067 1.00 1.00 C ATOM 587 C ARG A 36 0.406 2.571 11.115 1.00 1.00 C ATOM 588 O ARG A 36 -0.730 2.129 11.102 1.00 1.00 O ATOM 589 CB ARG A 36 0.884 3.155 13.500 1.00 1.00 C ATOM 590 CG ARG A 36 -0.492 3.196 14.177 1.00 1.00 C ATOM 591 CD ARG A 36 -0.501 2.255 15.384 1.00 1.00 C ATOM 592 NE ARG A 36 -1.887 2.155 15.925 1.00 1.00 N ATOM 593 CZ ARG A 36 -2.108 1.521 17.045 1.00 1.00 C ATOM 594 NH1 ARG A 36 -1.930 2.133 18.187 1.00 1.00 N ATOM 595 NH2 ARG A 36 -2.504 0.275 17.022 1.00 1.00 N ATOM 0 H ARG A 36 -1.131 4.569 12.444 1.00 1.00 H new ATOM 0 HA ARG A 36 1.759 4.117 11.784 1.00 1.00 H new ATOM 0 HB2 ARG A 36 1.257 2.131 13.481 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.598 3.743 14.076 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -0.721 4.213 14.495 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -1.266 2.901 13.468 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.141 1.268 15.092 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.175 2.627 16.154 1.00 1.00 H new ATOM 0 HE ARG A 36 -2.663 2.582 15.420 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -1.619 3.104 18.202 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.102 1.639 19.063 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -2.640 -0.201 16.130 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -2.677 -0.221 17.896 1.00 1.00 H new ATOM 609 N VAL A 37 1.331 2.103 10.300 1.00 1.00 N ATOM 610 CA VAL A 37 0.986 1.016 9.346 1.00 1.00 C ATOM 611 C VAL A 37 2.133 -0.006 9.234 1.00 1.00 C ATOM 612 O VAL A 37 3.309 0.338 9.230 1.00 1.00 O ATOM 613 CB VAL A 37 0.680 1.624 7.956 1.00 1.00 C ATOM 614 CG1 VAL A 37 1.051 3.112 7.919 1.00 1.00 C ATOM 615 CG2 VAL A 37 1.476 0.892 6.879 1.00 1.00 C ATOM 0 H VAL A 37 2.297 2.429 10.261 1.00 1.00 H new ATOM 0 HA VAL A 37 0.104 0.495 9.719 1.00 1.00 H new ATOM 0 HB VAL A 37 -0.388 1.516 7.769 1.00 1.00 H new ATOM 0 HG11 VAL A 37 0.827 3.518 6.933 1.00 1.00 H new ATOM 0 HG12 VAL A 37 0.475 3.650 8.672 1.00 1.00 H new ATOM 0 HG13 VAL A 37 2.115 3.227 8.126 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.254 1.327 5.904 1.00 1.00 H new ATOM 0 HG22 VAL A 37 2.542 0.989 7.086 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.201 -0.163 6.877 1.00 1.00 H new ATOM 625 N ARG A 38 1.767 -1.255 9.069 1.00 1.00 N ATOM 626 CA ARG A 38 2.779 -2.347 8.869 1.00 1.00 C ATOM 627 C ARG A 38 2.656 -2.756 7.405 1.00 1.00 C ATOM 628 O ARG A 38 1.564 -2.748 6.859 1.00 1.00 O ATOM 629 CB ARG A 38 2.494 -3.551 9.781 1.00 1.00 C ATOM 630 CG ARG A 38 0.987 -3.843 9.844 1.00 1.00 C ATOM 631 CD ARG A 38 0.714 -4.914 10.904 1.00 1.00 C ATOM 632 NE ARG A 38 0.645 -6.257 10.257 1.00 1.00 N ATOM 633 CZ ARG A 38 -0.504 -6.868 10.131 1.00 1.00 C ATOM 634 NH1 ARG A 38 -1.099 -7.370 11.183 1.00 1.00 N ATOM 635 NH2 ARG A 38 -1.057 -6.982 8.951 1.00 1.00 N ATOM 0 H ARG A 38 0.797 -1.570 9.064 1.00 1.00 H new ATOM 0 HA ARG A 38 3.782 -2.001 9.118 1.00 1.00 H new ATOM 0 HB2 ARG A 38 3.024 -4.428 9.409 1.00 1.00 H new ATOM 0 HB3 ARG A 38 2.873 -3.351 10.783 1.00 1.00 H new ATOM 0 HG2 ARG A 38 0.440 -2.932 10.084 1.00 1.00 H new ATOM 0 HG3 ARG A 38 0.631 -4.181 8.871 1.00 1.00 H new ATOM 0 HD2 ARG A 38 1.502 -4.903 11.657 1.00 1.00 H new ATOM 0 HD3 ARG A 38 -0.222 -4.699 11.419 1.00 1.00 H new ATOM 0 HE ARG A 38 1.497 -6.700 9.912 1.00 1.00 H new ATOM 0 HH11 ARG A 38 -0.666 -7.285 12.103 1.00 1.00 H new ATOM 0 HH12 ARG A 38 -1.995 -7.846 11.083 1.00 1.00 H new ATOM 0 HH21 ARG A 38 -0.592 -6.594 8.130 1.00 1.00 H new ATOM 0 HH22 ARG A 38 -1.953 -7.459 8.852 1.00 1.00 H new ATOM 649 N CYS A 39 3.740 -3.042 6.727 1.00 1.00 N ATOM 650 CA CYS A 39 3.594 -3.349 5.279 1.00 1.00 C ATOM 651 C CYS A 39 4.518 -4.462 4.774 1.00 1.00 C ATOM 652 O CYS A 39 5.551 -4.775 5.349 1.00 1.00 O ATOM 653 CB CYS A 39 3.894 -2.066 4.504 1.00 1.00 C ATOM 654 SG CYS A 39 5.644 -2.020 4.056 1.00 1.00 S ATOM 0 H CYS A 39 4.688 -3.075 7.101 1.00 1.00 H new ATOM 0 HA CYS A 39 2.578 -3.711 5.124 1.00 1.00 H new ATOM 0 HB2 CYS A 39 3.278 -2.019 3.606 1.00 1.00 H new ATOM 0 HB3 CYS A 39 3.641 -1.196 5.110 1.00 1.00 H new ATOM 0 HG CYS A 39 5.892 -2.946 3.178 1.00 1.00 H new ATOM 660 N LEU A 40 4.156 -4.985 3.627 1.00 1.00 N ATOM 661 CA LEU A 40 4.955 -6.008 2.944 1.00 1.00 C ATOM 662 C LEU A 40 5.892 -5.267 1.990 1.00 1.00 C ATOM 663 O LEU A 40 5.924 -4.026 1.954 1.00 1.00 O ATOM 664 CB LEU A 40 4.063 -6.963 2.150 1.00 1.00 C ATOM 665 CG LEU A 40 4.147 -8.391 2.717 1.00 1.00 C ATOM 666 CD1 LEU A 40 5.562 -8.705 3.220 1.00 1.00 C ATOM 667 CD2 LEU A 40 3.154 -8.536 3.871 1.00 1.00 C ATOM 0 H LEU A 40 3.304 -4.723 3.131 1.00 1.00 H new ATOM 0 HA LEU A 40 5.507 -6.605 3.670 1.00 1.00 H new ATOM 0 HB2 LEU A 40 3.031 -6.615 2.182 1.00 1.00 H new ATOM 0 HB3 LEU A 40 4.366 -6.965 1.103 1.00 1.00 H new ATOM 0 HG LEU A 40 3.903 -9.093 1.920 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.591 -9.721 3.615 1.00 1.00 H new ATOM 0 HD12 LEU A 40 6.269 -8.616 2.395 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.833 -8.002 4.008 1.00 1.00 H new ATOM 0 HD21 LEU A 40 3.211 -9.547 4.275 1.00 1.00 H new ATOM 0 HD22 LEU A 40 3.398 -7.818 4.654 1.00 1.00 H new ATOM 0 HD23 LEU A 40 2.144 -8.347 3.508 1.00 1.00 H new ATOM 679 N ASP A 41 6.705 -6.028 1.305 1.00 1.00 N ATOM 680 CA ASP A 41 7.804 -5.467 0.483 1.00 1.00 C ATOM 681 C ASP A 41 8.880 -5.082 1.532 1.00 1.00 C ATOM 682 O ASP A 41 9.762 -4.276 1.300 1.00 1.00 O ATOM 683 CB ASP A 41 7.364 -4.229 -0.333 1.00 1.00 C ATOM 684 CG ASP A 41 6.674 -4.668 -1.631 1.00 1.00 C ATOM 685 OD1 ASP A 41 5.766 -5.479 -1.558 1.00 1.00 O ATOM 686 OD2 ASP A 41 7.063 -4.178 -2.677 1.00 1.00 O ATOM 0 H ASP A 41 6.646 -7.046 1.285 1.00 1.00 H new ATOM 0 HA ASP A 41 8.157 -6.179 -0.264 1.00 1.00 H new ATOM 0 HB2 ASP A 41 6.684 -3.617 0.260 1.00 1.00 H new ATOM 0 HB3 ASP A 41 8.231 -3.610 -0.565 1.00 1.00 H new ATOM 691 N GLY A 42 8.805 -5.759 2.692 1.00 1.00 N ATOM 692 CA GLY A 42 9.783 -5.594 3.817 1.00 1.00 C ATOM 693 C GLY A 42 9.801 -4.187 4.426 1.00 1.00 C ATOM 694 O GLY A 42 10.860 -3.591 4.502 1.00 1.00 O ATOM 0 H GLY A 42 8.071 -6.439 2.890 1.00 1.00 H new ATOM 0 HA2 GLY A 42 9.546 -6.315 4.600 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.782 -5.835 3.454 1.00 1.00 H new ATOM 698 N LYS A 43 8.685 -3.636 4.890 1.00 1.00 N ATOM 699 CA LYS A 43 8.787 -2.269 5.499 1.00 1.00 C ATOM 700 C LYS A 43 7.816 -2.046 6.668 1.00 1.00 C ATOM 701 O LYS A 43 6.737 -2.608 6.735 1.00 1.00 O ATOM 702 CB LYS A 43 8.540 -1.205 4.429 1.00 1.00 C ATOM 703 CG LYS A 43 9.471 -0.013 4.664 1.00 1.00 C ATOM 704 CD LYS A 43 10.899 -0.378 4.239 1.00 1.00 C ATOM 705 CE LYS A 43 11.908 0.221 5.227 1.00 1.00 C ATOM 706 NZ LYS A 43 11.683 -0.337 6.594 1.00 1.00 N ATOM 0 H LYS A 43 7.756 -4.056 4.873 1.00 1.00 H new ATOM 0 HA LYS A 43 9.796 -2.187 5.903 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.713 -1.625 3.438 1.00 1.00 H new ATOM 0 HB3 LYS A 43 7.500 -0.879 4.460 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.122 0.850 4.097 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.456 0.270 5.717 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.011 -1.462 4.204 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.095 -0.004 3.234 1.00 1.00 H new ATOM 0 HE2 LYS A 43 12.924 0.001 4.899 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.808 1.306 5.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 12.493 -0.103 7.202 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 10.817 0.073 6.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.582 -1.370 6.535 1.00 1.00 H new ATOM 720 N THR A 44 8.200 -1.148 7.540 1.00 1.00 N ATOM 721 CA THR A 44 7.341 -0.731 8.697 1.00 1.00 C ATOM 722 C THR A 44 7.445 0.794 8.727 1.00 1.00 C ATOM 723 O THR A 44 8.535 1.355 8.839 1.00 1.00 O ATOM 724 CB THR A 44 7.825 -1.326 10.025 1.00 1.00 C ATOM 725 OG1 THR A 44 8.640 -2.470 9.790 1.00 1.00 O ATOM 726 CG2 THR A 44 6.609 -1.725 10.864 1.00 1.00 C ATOM 0 H THR A 44 9.101 -0.671 7.498 1.00 1.00 H new ATOM 0 HA THR A 44 6.318 -1.086 8.575 1.00 1.00 H new ATOM 0 HB THR A 44 8.417 -0.581 10.557 1.00 1.00 H new ATOM 0 HG1 THR A 44 8.943 -2.838 10.647 1.00 1.00 H new ATOM 0 HG21 THR A 44 6.944 -2.149 11.811 1.00 1.00 H new ATOM 0 HG22 THR A 44 5.996 -0.845 11.057 1.00 1.00 H new ATOM 0 HG23 THR A 44 6.020 -2.465 10.322 1.00 1.00 H new ATOM 734 N ARG A 45 6.340 1.472 8.534 1.00 1.00 N ATOM 735 CA ARG A 45 6.416 2.956 8.448 1.00 1.00 C ATOM 736 C ARG A 45 5.187 3.650 9.028 1.00 1.00 C ATOM 737 O ARG A 45 4.109 3.090 9.103 1.00 1.00 O ATOM 738 CB ARG A 45 6.530 3.368 6.960 1.00 1.00 C ATOM 739 CG ARG A 45 7.104 2.223 6.101 1.00 1.00 C ATOM 740 CD ARG A 45 6.016 1.180 5.805 1.00 1.00 C ATOM 741 NE ARG A 45 5.234 1.593 4.610 1.00 1.00 N ATOM 742 CZ ARG A 45 3.931 1.688 4.684 1.00 1.00 C ATOM 743 NH1 ARG A 45 3.386 2.595 5.449 1.00 1.00 N ATOM 744 NH2 ARG A 45 3.173 0.876 3.996 1.00 1.00 N ATOM 0 H ARG A 45 5.408 1.069 8.435 1.00 1.00 H new ATOM 0 HA ARG A 45 7.286 3.263 9.029 1.00 1.00 H new ATOM 0 HB2 ARG A 45 5.547 3.650 6.583 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.169 4.246 6.872 1.00 1.00 H new ATOM 0 HG2 ARG A 45 7.498 2.623 5.166 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.937 1.751 6.622 1.00 1.00 H new ATOM 0 HD2 ARG A 45 6.471 0.205 5.634 1.00 1.00 H new ATOM 0 HD3 ARG A 45 5.355 1.076 6.665 1.00 1.00 H new ATOM 0 HE ARG A 45 5.712 1.802 3.734 1.00 1.00 H new ATOM 0 HH11 ARG A 45 3.976 3.229 5.988 1.00 1.00 H new ATOM 0 HH12 ARG A 45 2.370 2.670 5.507 1.00 1.00 H new ATOM 0 HH21 ARG A 45 3.597 0.166 3.399 1.00 1.00 H new ATOM 0 HH22 ARG A 45 2.158 0.953 4.056 1.00 1.00 H new ATOM 758 N LEU A 46 5.344 4.913 9.342 1.00 1.00 N ATOM 759 CA LEU A 46 4.194 5.735 9.810 1.00 1.00 C ATOM 760 C LEU A 46 3.752 6.512 8.569 1.00 1.00 C ATOM 761 O LEU A 46 4.562 7.163 7.929 1.00 1.00 O ATOM 762 CB LEU A 46 4.641 6.699 10.914 1.00 1.00 C ATOM 763 CG LEU A 46 4.211 6.159 12.281 1.00 1.00 C ATOM 764 CD1 LEU A 46 4.768 4.747 12.485 1.00 1.00 C ATOM 765 CD2 LEU A 46 4.755 7.079 13.374 1.00 1.00 C ATOM 0 H LEU A 46 6.232 5.412 9.292 1.00 1.00 H new ATOM 0 HA LEU A 46 3.391 5.129 10.230 1.00 1.00 H new ATOM 0 HB2 LEU A 46 5.724 6.822 10.886 1.00 1.00 H new ATOM 0 HB3 LEU A 46 4.204 7.684 10.748 1.00 1.00 H new ATOM 0 HG LEU A 46 3.123 6.124 12.329 1.00 1.00 H new ATOM 0 HD11 LEU A 46 4.457 4.371 13.460 1.00 1.00 H new ATOM 0 HD12 LEU A 46 4.387 4.089 11.704 1.00 1.00 H new ATOM 0 HD13 LEU A 46 5.857 4.775 12.437 1.00 1.00 H new ATOM 0 HD21 LEU A 46 4.453 6.701 14.351 1.00 1.00 H new ATOM 0 HD22 LEU A 46 5.843 7.108 13.317 1.00 1.00 H new ATOM 0 HD23 LEU A 46 4.357 8.084 13.235 1.00 1.00 H new ATOM 777 N GLY A 47 2.513 6.400 8.170 1.00 1.00 N ATOM 778 CA GLY A 47 2.085 7.073 6.908 1.00 1.00 C ATOM 779 C GLY A 47 1.423 8.423 7.158 1.00 1.00 C ATOM 780 O GLY A 47 0.719 8.627 8.132 1.00 1.00 O ATOM 0 H GLY A 47 1.785 5.877 8.657 1.00 1.00 H new ATOM 0 HA2 GLY A 47 2.952 7.212 6.263 1.00 1.00 H new ATOM 0 HA3 GLY A 47 1.390 6.425 6.373 1.00 1.00 H new ATOM 784 N ARG A 48 1.641 9.338 6.239 1.00 1.00 N ATOM 785 CA ARG A 48 1.034 10.694 6.340 1.00 1.00 C ATOM 786 C ARG A 48 -0.096 10.814 5.312 1.00 1.00 C ATOM 787 O ARG A 48 0.009 10.330 4.195 1.00 1.00 O ATOM 788 CB ARG A 48 2.089 11.777 6.080 1.00 1.00 C ATOM 789 CG ARG A 48 2.851 11.489 4.778 1.00 1.00 C ATOM 790 CD ARG A 48 2.696 12.670 3.813 1.00 1.00 C ATOM 791 NE ARG A 48 3.222 13.917 4.449 1.00 1.00 N ATOM 792 CZ ARG A 48 3.595 14.930 3.708 1.00 1.00 C ATOM 793 NH1 ARG A 48 2.850 15.327 2.708 1.00 1.00 N ATOM 794 NH2 ARG A 48 4.715 15.552 3.976 1.00 1.00 N ATOM 0 H ARG A 48 2.223 9.194 5.414 1.00 1.00 H new ATOM 0 HA ARG A 48 0.638 10.834 7.346 1.00 1.00 H new ATOM 0 HB2 ARG A 48 1.608 12.753 6.018 1.00 1.00 H new ATOM 0 HB3 ARG A 48 2.788 11.819 6.915 1.00 1.00 H new ATOM 0 HG2 ARG A 48 3.906 11.320 4.993 1.00 1.00 H new ATOM 0 HG3 ARG A 48 2.470 10.578 4.317 1.00 1.00 H new ATOM 0 HD2 ARG A 48 3.235 12.468 2.887 1.00 1.00 H new ATOM 0 HD3 ARG A 48 1.647 12.800 3.549 1.00 1.00 H new ATOM 0 HE ARG A 48 3.291 13.979 5.465 1.00 1.00 H new ATOM 0 HH11 ARG A 48 1.974 14.847 2.503 1.00 1.00 H new ATOM 0 HH12 ARG A 48 3.145 16.117 2.134 1.00 1.00 H new ATOM 0 HH21 ARG A 48 5.293 15.247 4.759 1.00 1.00 H new ATOM 0 HH22 ARG A 48 5.010 16.342 3.402 1.00 1.00 H new ATOM 808 N ILE A 49 -1.177 11.448 5.688 1.00 1.00 N ATOM 809 CA ILE A 49 -2.334 11.604 4.755 1.00 1.00 C ATOM 810 C ILE A 49 -2.847 13.060 4.823 1.00 1.00 C ATOM 811 O ILE A 49 -2.628 13.742 5.810 1.00 1.00 O ATOM 812 CB ILE A 49 -3.437 10.601 5.170 1.00 1.00 C ATOM 813 CG1 ILE A 49 -3.802 9.718 3.969 1.00 1.00 C ATOM 814 CG2 ILE A 49 -4.693 11.329 5.669 1.00 1.00 C ATOM 815 CD1 ILE A 49 -4.363 8.382 4.464 1.00 1.00 C ATOM 0 H ILE A 49 -1.309 11.868 6.608 1.00 1.00 H new ATOM 0 HA ILE A 49 -2.037 11.396 3.727 1.00 1.00 H new ATOM 0 HB ILE A 49 -3.052 9.987 5.984 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -4.538 10.223 3.344 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -2.921 9.547 3.350 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -5.449 10.597 5.953 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -4.439 11.942 6.534 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -5.084 11.966 4.875 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -4.621 7.757 3.609 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.613 7.875 5.071 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -5.255 8.562 5.065 1.00 1.00 H new ATOM 827 N PRO A 50 -3.521 13.495 3.777 1.00 1.00 N ATOM 828 CA PRO A 50 -4.076 14.864 3.704 1.00 1.00 C ATOM 829 C PRO A 50 -5.338 14.983 4.574 1.00 1.00 C ATOM 830 O PRO A 50 -5.501 15.942 5.308 1.00 1.00 O ATOM 831 CB PRO A 50 -4.402 15.044 2.217 1.00 1.00 C ATOM 832 CG PRO A 50 -4.545 13.622 1.626 1.00 1.00 C ATOM 833 CD PRO A 50 -3.795 12.671 2.579 1.00 1.00 C ATOM 0 HA PRO A 50 -3.390 15.626 4.074 1.00 1.00 H new ATOM 0 HB2 PRO A 50 -5.323 15.613 2.087 1.00 1.00 H new ATOM 0 HB3 PRO A 50 -3.611 15.597 1.710 1.00 1.00 H new ATOM 0 HG2 PRO A 50 -5.595 13.340 1.545 1.00 1.00 H new ATOM 0 HG3 PRO A 50 -4.124 13.576 0.622 1.00 1.00 H new ATOM 0 HD2 PRO A 50 -4.399 11.798 2.826 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -2.873 12.303 2.130 1.00 1.00 H new ATOM 841 N GLY A 51 -6.219 14.011 4.507 1.00 1.00 N ATOM 842 CA GLY A 51 -7.466 14.052 5.337 1.00 1.00 C ATOM 843 C GLY A 51 -8.663 13.490 4.553 1.00 1.00 C ATOM 844 O GLY A 51 -9.783 13.935 4.731 1.00 1.00 O ATOM 0 H GLY A 51 -6.127 13.189 3.911 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -7.320 13.474 6.250 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -7.673 15.079 5.639 1.00 1.00 H new ATOM 848 N ARG A 52 -8.441 12.513 3.698 1.00 1.00 N ATOM 849 CA ARG A 52 -9.569 11.917 2.914 1.00 1.00 C ATOM 850 C ARG A 52 -10.525 11.178 3.860 1.00 1.00 C ATOM 851 O ARG A 52 -11.729 11.292 3.740 1.00 1.00 O ATOM 852 CB ARG A 52 -9.012 10.936 1.875 1.00 1.00 C ATOM 853 CG ARG A 52 -10.087 10.629 0.827 1.00 1.00 C ATOM 854 CD ARG A 52 -10.231 11.818 -0.128 1.00 1.00 C ATOM 855 NE ARG A 52 -11.453 11.638 -0.965 1.00 1.00 N ATOM 856 CZ ARG A 52 -11.346 11.507 -2.261 1.00 1.00 C ATOM 857 NH1 ARG A 52 -11.090 10.334 -2.780 1.00 1.00 N ATOM 858 NH2 ARG A 52 -11.497 12.548 -3.038 1.00 1.00 N ATOM 0 H ARG A 52 -7.525 12.105 3.512 1.00 1.00 H new ATOM 0 HA ARG A 52 -10.112 12.713 2.405 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -8.132 11.362 1.393 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -8.693 10.015 2.364 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -9.819 9.732 0.269 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -11.039 10.426 1.317 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -10.299 12.747 0.438 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -9.349 11.896 -0.764 1.00 1.00 H new ATOM 0 HE ARG A 52 -12.373 11.617 -0.525 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -10.974 9.522 -2.173 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -11.006 10.231 -3.791 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -11.698 13.462 -2.633 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -11.413 12.446 -4.049 1.00 1.00 H new ATOM 872 N LEU A 53 -9.990 10.423 4.795 1.00 1.00 N ATOM 873 CA LEU A 53 -10.851 9.664 5.758 1.00 1.00 C ATOM 874 C LEU A 53 -11.712 10.638 6.571 1.00 1.00 C ATOM 875 O LEU A 53 -12.912 10.470 6.680 1.00 1.00 O ATOM 876 CB LEU A 53 -9.965 8.856 6.713 1.00 1.00 C ATOM 877 CG LEU A 53 -9.383 7.646 5.977 1.00 1.00 C ATOM 878 CD1 LEU A 53 -7.909 7.904 5.649 1.00 1.00 C ATOM 879 CD2 LEU A 53 -9.496 6.404 6.866 1.00 1.00 C ATOM 0 H LEU A 53 -8.987 10.301 4.931 1.00 1.00 H new ATOM 0 HA LEU A 53 -11.499 8.990 5.198 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -9.160 9.483 7.096 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -10.548 8.525 7.573 1.00 1.00 H new ATOM 0 HG LEU A 53 -9.938 7.485 5.053 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -7.496 7.042 5.125 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -7.826 8.787 5.015 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -7.354 8.067 6.573 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -9.082 5.543 6.342 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -8.943 6.567 7.791 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -10.544 6.217 7.099 1.00 1.00 H new ATOM 891 N LYS A 54 -11.106 11.655 7.142 1.00 1.00 N ATOM 892 CA LYS A 54 -11.878 12.650 7.956 1.00 1.00 C ATOM 893 C LYS A 54 -12.978 13.308 7.104 1.00 1.00 C ATOM 894 O LYS A 54 -13.966 13.786 7.630 1.00 1.00 O ATOM 895 CB LYS A 54 -10.925 13.730 8.479 1.00 1.00 C ATOM 896 CG LYS A 54 -10.982 13.768 10.010 1.00 1.00 C ATOM 897 CD LYS A 54 -9.576 14.000 10.573 1.00 1.00 C ATOM 898 CE LYS A 54 -8.903 12.653 10.850 1.00 1.00 C ATOM 899 NZ LYS A 54 -9.183 12.232 12.255 1.00 1.00 N ATOM 0 H LYS A 54 -10.105 11.839 7.078 1.00 1.00 H new ATOM 0 HA LYS A 54 -12.346 12.131 8.793 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -9.907 13.523 8.148 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -11.201 14.702 8.070 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -11.652 14.563 10.339 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -11.387 12.831 10.392 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -8.981 14.576 9.865 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -9.633 14.585 11.491 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -9.273 11.900 10.154 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -7.828 12.733 10.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -8.725 11.317 12.441 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -8.809 12.946 12.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -10.210 12.139 12.392 1.00 1.00 H new ATOM 913 N ASN A 55 -12.813 13.342 5.799 1.00 1.00 N ATOM 914 CA ASN A 55 -13.846 13.975 4.920 1.00 1.00 C ATOM 915 C ASN A 55 -14.667 12.906 4.171 1.00 1.00 C ATOM 916 O ASN A 55 -15.494 13.236 3.338 1.00 1.00 O ATOM 917 CB ASN A 55 -13.146 14.880 3.902 1.00 1.00 C ATOM 918 CG ASN A 55 -13.273 16.341 4.340 1.00 1.00 C ATOM 919 OD1 ASN A 55 -12.363 16.893 4.926 1.00 1.00 O ATOM 920 ND2 ASN A 55 -14.373 16.996 4.080 1.00 1.00 N ATOM 0 H ASN A 55 -12.006 12.958 5.307 1.00 1.00 H new ATOM 0 HA ASN A 55 -14.526 14.556 5.543 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -12.095 14.605 3.819 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -13.590 14.746 2.916 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -14.467 17.970 4.369 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -15.138 16.534 3.588 1.00 1.00 H new ATOM 927 N ARG A 56 -14.455 11.636 4.451 1.00 1.00 N ATOM 928 CA ARG A 56 -15.230 10.569 3.742 1.00 1.00 C ATOM 929 C ARG A 56 -15.852 9.597 4.756 1.00 1.00 C ATOM 930 O ARG A 56 -17.057 9.578 4.936 1.00 1.00 O ATOM 931 CB ARG A 56 -14.301 9.802 2.794 1.00 1.00 C ATOM 932 CG ARG A 56 -14.300 10.479 1.420 1.00 1.00 C ATOM 933 CD ARG A 56 -14.014 9.441 0.330 1.00 1.00 C ATOM 934 NE ARG A 56 -15.165 8.498 0.216 1.00 1.00 N ATOM 935 CZ ARG A 56 -15.082 7.459 -0.572 1.00 1.00 C ATOM 936 NH1 ARG A 56 -15.377 7.576 -1.840 1.00 1.00 N ATOM 937 NH2 ARG A 56 -14.704 6.303 -0.090 1.00 1.00 N ATOM 0 H ARG A 56 -13.781 11.297 5.138 1.00 1.00 H new ATOM 0 HA ARG A 56 -16.030 11.037 3.168 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -13.290 9.778 3.200 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -14.632 8.768 2.701 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -15.264 10.955 1.238 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.546 11.266 1.393 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -13.845 9.940 -0.624 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.104 8.891 0.568 1.00 1.00 H new ATOM 0 HE ARG A 56 -16.016 8.664 0.753 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.672 8.478 -2.214 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -15.312 6.765 -2.456 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -14.475 6.214 0.900 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -14.639 5.491 -0.704 1.00 1.00 H new ATOM 951 N ILE A 57 -15.048 8.784 5.408 1.00 1.00 N ATOM 952 CA ILE A 57 -15.604 7.805 6.398 1.00 1.00 C ATOM 953 C ILE A 57 -14.880 7.929 7.744 1.00 1.00 C ATOM 954 O ILE A 57 -13.711 8.266 7.809 1.00 1.00 O ATOM 955 CB ILE A 57 -15.442 6.377 5.856 1.00 1.00 C ATOM 956 CG1 ILE A 57 -16.181 5.392 6.771 1.00 1.00 C ATOM 957 CG2 ILE A 57 -13.956 6.003 5.799 1.00 1.00 C ATOM 958 CD1 ILE A 57 -16.380 4.062 6.039 1.00 1.00 C ATOM 0 H ILE A 57 -14.034 8.758 5.296 1.00 1.00 H new ATOM 0 HA ILE A 57 -16.661 8.023 6.549 1.00 1.00 H new ATOM 0 HB ILE A 57 -15.863 6.329 4.852 1.00 1.00 H new ATOM 0 HG12 ILE A 57 -15.611 5.233 7.687 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -17.146 5.806 7.064 1.00 1.00 H new ATOM 0 HG21 ILE A 57 -13.851 4.989 5.414 1.00 1.00 H new ATOM 0 HG22 ILE A 57 -13.431 6.697 5.143 1.00 1.00 H new ATOM 0 HG23 ILE A 57 -13.529 6.057 6.800 1.00 1.00 H new ATOM 0 HD11 ILE A 57 -16.905 3.363 6.690 1.00 1.00 H new ATOM 0 HD12 ILE A 57 -16.968 4.228 5.136 1.00 1.00 H new ATOM 0 HD13 ILE A 57 -15.409 3.647 5.769 1.00 1.00 H new ATOM 970 N TRP A 58 -15.575 7.638 8.814 1.00 1.00 N ATOM 971 CA TRP A 58 -14.956 7.717 10.171 1.00 1.00 C ATOM 972 C TRP A 58 -14.785 6.294 10.728 1.00 1.00 C ATOM 973 O TRP A 58 -15.438 5.900 11.680 1.00 1.00 O ATOM 974 CB TRP A 58 -15.853 8.552 11.095 1.00 1.00 C ATOM 975 CG TRP A 58 -15.101 9.755 11.566 1.00 1.00 C ATOM 976 CD1 TRP A 58 -14.164 9.753 12.543 1.00 1.00 C ATOM 977 CD2 TRP A 58 -15.205 11.132 11.102 1.00 1.00 C ATOM 978 NE1 TRP A 58 -13.685 11.041 12.706 1.00 1.00 N ATOM 979 CE2 TRP A 58 -14.297 11.926 11.841 1.00 1.00 C ATOM 980 CE3 TRP A 58 -15.991 11.763 10.120 1.00 1.00 C ATOM 981 CZ2 TRP A 58 -14.172 13.298 11.615 1.00 1.00 C ATOM 982 CZ3 TRP A 58 -15.869 13.143 9.890 1.00 1.00 C ATOM 983 CH2 TRP A 58 -14.961 13.908 10.636 1.00 1.00 C ATOM 0 H TRP A 58 -16.553 7.347 8.805 1.00 1.00 H new ATOM 0 HA TRP A 58 -13.978 8.195 10.110 1.00 1.00 H new ATOM 0 HB2 TRP A 58 -16.755 8.858 10.565 1.00 1.00 H new ATOM 0 HB3 TRP A 58 -16.173 7.953 11.948 1.00 1.00 H new ATOM 0 HD1 TRP A 58 -13.843 8.888 13.104 1.00 1.00 H new ATOM 0 HE1 TRP A 58 -12.968 11.304 13.382 1.00 1.00 H new ATOM 0 HE3 TRP A 58 -16.693 11.182 9.540 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 -13.471 13.883 12.192 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 -16.478 13.618 9.135 1.00 1.00 H new ATOM 0 HH2 TRP A 58 -14.871 14.969 10.454 1.00 1.00 H new ATOM 994 N VAL A 59 -13.905 5.524 10.132 1.00 1.00 N ATOM 995 CA VAL A 59 -13.670 4.127 10.605 1.00 1.00 C ATOM 996 C VAL A 59 -12.702 4.153 11.799 1.00 1.00 C ATOM 997 O VAL A 59 -11.799 4.971 11.859 1.00 1.00 O ATOM 998 CB VAL A 59 -13.092 3.297 9.438 1.00 1.00 C ATOM 999 CG1 VAL A 59 -11.843 2.524 9.875 1.00 1.00 C ATOM 1000 CG2 VAL A 59 -14.152 2.304 8.953 1.00 1.00 C ATOM 0 H VAL A 59 -13.337 5.808 9.333 1.00 1.00 H new ATOM 0 HA VAL A 59 -14.604 3.669 10.931 1.00 1.00 H new ATOM 0 HB VAL A 59 -12.813 3.979 8.635 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -11.458 1.949 9.033 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -11.081 3.226 10.214 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -12.101 1.847 10.689 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -13.749 1.715 8.129 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -14.430 1.640 9.771 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -15.033 2.849 8.613 1.00 1.00 H new ATOM 1010 N ARG A 60 -12.892 3.265 12.749 1.00 1.00 N ATOM 1011 CA ARG A 60 -11.993 3.225 13.945 1.00 1.00 C ATOM 1012 C ARG A 60 -10.556 2.934 13.494 1.00 1.00 C ATOM 1013 O ARG A 60 -9.670 3.751 13.664 1.00 1.00 O ATOM 1014 CB ARG A 60 -12.461 2.127 14.908 1.00 1.00 C ATOM 1015 CG ARG A 60 -13.717 2.592 15.654 1.00 1.00 C ATOM 1016 CD ARG A 60 -13.480 2.507 17.164 1.00 1.00 C ATOM 1017 NE ARG A 60 -13.353 1.077 17.571 1.00 1.00 N ATOM 1018 CZ ARG A 60 -14.277 0.521 18.310 1.00 1.00 C ATOM 1019 NH1 ARG A 60 -14.285 0.714 19.603 1.00 1.00 N ATOM 1020 NH2 ARG A 60 -15.194 -0.228 17.754 1.00 1.00 N ATOM 0 H ARG A 60 -13.634 2.565 12.745 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.027 4.188 14.455 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.673 1.212 14.355 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.669 1.893 15.620 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.962 3.616 15.371 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -14.569 1.972 15.374 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -12.576 3.053 17.432 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.306 2.976 17.699 1.00 1.00 H new ATOM 0 HE ARG A 60 -12.544 0.532 17.272 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -13.570 1.299 20.036 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -15.006 0.280 20.179 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -15.188 -0.378 16.745 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -15.916 -0.662 18.329 1.00 1.00 H new ATOM 1034 N GLU A 61 -10.326 1.775 12.918 1.00 1.00 N ATOM 1035 CA GLU A 61 -8.953 1.415 12.446 1.00 1.00 C ATOM 1036 C GLU A 61 -9.013 0.115 11.631 1.00 1.00 C ATOM 1037 O GLU A 61 -9.438 -0.916 12.123 1.00 1.00 O ATOM 1038 CB GLU A 61 -8.015 1.228 13.650 1.00 1.00 C ATOM 1039 CG GLU A 61 -8.700 0.378 14.731 1.00 1.00 C ATOM 1040 CD GLU A 61 -7.783 -0.779 15.137 1.00 1.00 C ATOM 1041 OE1 GLU A 61 -6.875 -0.545 15.921 1.00 1.00 O ATOM 1042 OE2 GLU A 61 -8.003 -1.880 14.660 1.00 1.00 O ATOM 0 H GLU A 61 -11.036 1.061 12.755 1.00 1.00 H new ATOM 0 HA GLU A 61 -8.569 2.219 11.818 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.092 0.746 13.329 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -7.741 2.200 14.061 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -8.930 0.994 15.600 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -9.647 -0.010 14.356 1.00 1.00 H new ATOM 1049 N GLY A 62 -8.588 0.159 10.389 1.00 1.00 N ATOM 1050 CA GLY A 62 -8.615 -1.069 9.537 1.00 1.00 C ATOM 1051 C GLY A 62 -8.829 -0.686 8.070 1.00 1.00 C ATOM 1052 O GLY A 62 -9.895 -0.893 7.518 1.00 1.00 O ATOM 0 H GLY A 62 -8.224 0.994 9.931 1.00 1.00 H new ATOM 0 HA2 GLY A 62 -7.679 -1.617 9.645 1.00 1.00 H new ATOM 0 HA3 GLY A 62 -9.413 -1.733 9.868 1.00 1.00 H new ATOM 1056 N ASP A 63 -7.821 -0.135 7.436 1.00 1.00 N ATOM 1057 CA ASP A 63 -7.950 0.258 5.994 1.00 1.00 C ATOM 1058 C ASP A 63 -6.681 -0.167 5.247 1.00 1.00 C ATOM 1059 O ASP A 63 -5.648 -0.386 5.858 1.00 1.00 O ATOM 1060 CB ASP A 63 -8.121 1.777 5.882 1.00 1.00 C ATOM 1061 CG ASP A 63 -9.312 2.237 6.733 1.00 1.00 C ATOM 1062 OD1 ASP A 63 -10.427 2.175 6.239 1.00 1.00 O ATOM 1063 OD2 ASP A 63 -9.089 2.646 7.861 1.00 1.00 O ATOM 0 H ASP A 63 -6.912 0.060 7.855 1.00 1.00 H new ATOM 0 HA ASP A 63 -8.821 -0.232 5.559 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -7.212 2.279 6.213 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -8.278 2.057 4.840 1.00 1.00 H new ATOM 1068 N VAL A 64 -6.728 -0.277 3.937 1.00 1.00 N ATOM 1069 CA VAL A 64 -5.494 -0.676 3.187 1.00 1.00 C ATOM 1070 C VAL A 64 -4.986 0.536 2.408 1.00 1.00 C ATOM 1071 O VAL A 64 -5.766 1.300 1.864 1.00 1.00 O ATOM 1072 CB VAL A 64 -5.795 -1.825 2.224 1.00 1.00 C ATOM 1073 CG1 VAL A 64 -4.484 -2.476 1.776 1.00 1.00 C ATOM 1074 CG2 VAL A 64 -6.668 -2.873 2.922 1.00 1.00 C ATOM 0 H VAL A 64 -7.555 -0.110 3.364 1.00 1.00 H new ATOM 0 HA VAL A 64 -4.735 -1.016 3.892 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.325 -1.433 1.356 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -4.700 -3.295 1.090 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -3.863 -1.735 1.273 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -3.954 -2.863 2.646 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -6.879 -3.689 2.231 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -6.142 -3.262 3.794 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.605 -2.414 3.238 1.00 1.00 H new ATOM 1084 N VAL A 65 -3.691 0.738 2.374 1.00 1.00 N ATOM 1085 CA VAL A 65 -3.152 1.927 1.653 1.00 1.00 C ATOM 1086 C VAL A 65 -1.870 1.593 0.876 1.00 1.00 C ATOM 1087 O VAL A 65 -1.090 0.731 1.254 1.00 1.00 O ATOM 1088 CB VAL A 65 -2.837 3.037 2.674 1.00 1.00 C ATOM 1089 CG1 VAL A 65 -4.115 3.460 3.405 1.00 1.00 C ATOM 1090 CG2 VAL A 65 -1.815 2.529 3.700 1.00 1.00 C ATOM 0 H VAL A 65 -2.992 0.136 2.810 1.00 1.00 H new ATOM 0 HA VAL A 65 -3.908 2.255 0.939 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.425 3.894 2.140 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -3.880 4.245 4.124 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -4.840 3.835 2.683 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -4.535 2.602 3.929 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -1.597 3.319 4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.224 1.665 4.224 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -0.897 2.242 3.187 1.00 1.00 H new ATOM 1100 N ILE A 66 -1.632 2.338 -0.179 1.00 1.00 N ATOM 1101 CA ILE A 66 -0.375 2.161 -0.982 1.00 1.00 C ATOM 1102 C ILE A 66 0.569 3.267 -0.512 1.00 1.00 C ATOM 1103 O ILE A 66 0.117 4.363 -0.225 1.00 1.00 O ATOM 1104 CB ILE A 66 -0.662 2.301 -2.488 1.00 1.00 C ATOM 1105 CG1 ILE A 66 -1.480 3.573 -2.753 1.00 1.00 C ATOM 1106 CG2 ILE A 66 -1.448 1.078 -2.973 1.00 1.00 C ATOM 1107 CD1 ILE A 66 -1.355 3.972 -4.225 1.00 1.00 C ATOM 0 H ILE A 66 -2.258 3.067 -0.522 1.00 1.00 H new ATOM 0 HA ILE A 66 0.056 1.170 -0.837 1.00 1.00 H new ATOM 0 HB ILE A 66 0.283 2.368 -3.026 1.00 1.00 H new ATOM 0 HG12 ILE A 66 -2.527 3.403 -2.500 1.00 1.00 H new ATOM 0 HG13 ILE A 66 -1.126 4.383 -2.116 1.00 1.00 H new ATOM 0 HG21 ILE A 66 -1.652 1.176 -4.039 1.00 1.00 H new ATOM 0 HG22 ILE A 66 -0.862 0.176 -2.797 1.00 1.00 H new ATOM 0 HG23 ILE A 66 -2.390 1.011 -2.428 1.00 1.00 H new ATOM 0 HD11 ILE A 66 -1.937 4.875 -4.408 1.00 1.00 H new ATOM 0 HD12 ILE A 66 -0.308 4.161 -4.463 1.00 1.00 H new ATOM 0 HD13 ILE A 66 -1.730 3.165 -4.854 1.00 1.00 H new ATOM 1119 N VAL A 67 1.850 3.011 -0.347 1.00 1.00 N ATOM 1120 CA VAL A 67 2.705 4.110 0.206 1.00 1.00 C ATOM 1121 C VAL A 67 4.081 4.231 -0.456 1.00 1.00 C ATOM 1122 O VAL A 67 4.632 3.288 -1.007 1.00 1.00 O ATOM 1123 CB VAL A 67 2.905 3.870 1.717 1.00 1.00 C ATOM 1124 CG1 VAL A 67 1.747 3.036 2.282 1.00 1.00 C ATOM 1125 CG2 VAL A 67 4.216 3.113 1.959 1.00 1.00 C ATOM 0 H VAL A 67 2.321 2.132 -0.560 1.00 1.00 H new ATOM 0 HA VAL A 67 2.179 5.042 0.001 1.00 1.00 H new ATOM 0 HB VAL A 67 2.937 4.839 2.215 1.00 1.00 H new ATOM 0 HG11 VAL A 67 1.902 2.875 3.349 1.00 1.00 H new ATOM 0 HG12 VAL A 67 0.807 3.566 2.128 1.00 1.00 H new ATOM 0 HG13 VAL A 67 1.709 2.074 1.771 1.00 1.00 H new ATOM 0 HG21 VAL A 67 4.349 2.948 3.028 1.00 1.00 H new ATOM 0 HG22 VAL A 67 4.182 2.152 1.445 1.00 1.00 H new ATOM 0 HG23 VAL A 67 5.051 3.700 1.576 1.00 1.00 H new ATOM 1135 N LYS A 68 4.652 5.409 -0.314 1.00 1.00 N ATOM 1136 CA LYS A 68 6.017 5.684 -0.823 1.00 1.00 C ATOM 1137 C LYS A 68 6.977 5.604 0.367 1.00 1.00 C ATOM 1138 O LYS A 68 6.549 5.781 1.494 1.00 1.00 O ATOM 1139 CB LYS A 68 6.079 7.062 -1.476 1.00 1.00 C ATOM 1140 CG LYS A 68 6.435 6.923 -2.957 1.00 1.00 C ATOM 1141 CD LYS A 68 6.936 8.269 -3.488 1.00 1.00 C ATOM 1142 CE LYS A 68 8.361 8.114 -4.022 1.00 1.00 C ATOM 1143 NZ LYS A 68 8.872 9.440 -4.474 1.00 1.00 N ATOM 0 H LYS A 68 4.208 6.203 0.147 1.00 1.00 H new ATOM 0 HA LYS A 68 6.295 4.954 -1.583 1.00 1.00 H new ATOM 0 HB2 LYS A 68 5.119 7.567 -1.370 1.00 1.00 H new ATOM 0 HB3 LYS A 68 6.822 7.680 -0.971 1.00 1.00 H new ATOM 0 HG2 LYS A 68 7.202 6.160 -3.088 1.00 1.00 H new ATOM 0 HG3 LYS A 68 5.562 6.598 -3.523 1.00 1.00 H new ATOM 0 HD2 LYS A 68 6.277 8.627 -4.280 1.00 1.00 H new ATOM 0 HD3 LYS A 68 6.914 9.015 -2.694 1.00 1.00 H new ATOM 0 HE2 LYS A 68 9.009 7.709 -3.245 1.00 1.00 H new ATOM 0 HE3 LYS A 68 8.375 7.406 -4.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 9.841 9.333 -4.837 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 8.259 9.810 -5.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 8.873 10.103 -3.673 1.00 1.00 H new ATOM 1157 N PRO A 69 8.236 5.309 0.092 1.00 1.00 N ATOM 1158 CA PRO A 69 9.263 5.140 1.141 1.00 1.00 C ATOM 1159 C PRO A 69 9.967 6.456 1.492 1.00 1.00 C ATOM 1160 O PRO A 69 10.240 7.292 0.649 1.00 1.00 O ATOM 1161 CB PRO A 69 10.274 4.206 0.476 1.00 1.00 C ATOM 1162 CG PRO A 69 10.105 4.391 -1.054 1.00 1.00 C ATOM 1163 CD PRO A 69 8.741 5.077 -1.276 1.00 1.00 C ATOM 0 HA PRO A 69 8.831 4.773 2.072 1.00 1.00 H new ATOM 0 HB2 PRO A 69 11.290 4.450 0.786 1.00 1.00 H new ATOM 0 HB3 PRO A 69 10.093 3.170 0.764 1.00 1.00 H new ATOM 0 HG2 PRO A 69 10.913 4.999 -1.461 1.00 1.00 H new ATOM 0 HG3 PRO A 69 10.141 3.429 -1.565 1.00 1.00 H new ATOM 0 HD2 PRO A 69 8.848 6.012 -1.827 1.00 1.00 H new ATOM 0 HD3 PRO A 69 8.064 4.445 -1.850 1.00 1.00 H new ATOM 1171 N TRP A 70 10.243 6.617 2.764 1.00 1.00 N ATOM 1172 CA TRP A 70 10.914 7.842 3.291 1.00 1.00 C ATOM 1173 C TRP A 70 12.202 7.386 3.981 1.00 1.00 C ATOM 1174 O TRP A 70 12.106 6.661 4.972 1.00 1.00 O ATOM 1175 CB TRP A 70 10.096 8.495 4.398 1.00 1.00 C ATOM 1176 CG TRP A 70 8.941 9.128 3.839 1.00 1.00 C ATOM 1177 CD1 TRP A 70 8.234 8.626 2.837 1.00 1.00 C ATOM 1178 CD2 TRP A 70 8.313 10.357 4.240 1.00 1.00 C ATOM 1179 NE1 TRP A 70 7.218 9.446 2.587 1.00 1.00 N ATOM 1180 CE2 TRP A 70 7.208 10.544 3.416 1.00 1.00 C ATOM 1181 CE3 TRP A 70 8.593 11.318 5.226 1.00 1.00 C ATOM 1182 CZ2 TRP A 70 6.390 11.637 3.546 1.00 1.00 C ATOM 1183 CZ3 TRP A 70 7.765 12.440 5.367 1.00 1.00 C ATOM 1184 CH2 TRP A 70 6.660 12.598 4.524 1.00 1.00 C ATOM 0 H TRP A 70 10.022 5.925 3.480 1.00 1.00 H new ATOM 0 HA TRP A 70 11.060 8.535 2.463 1.00 1.00 H new ATOM 0 HB2 TRP A 70 9.793 7.745 5.129 1.00 1.00 H new ATOM 0 HB3 TRP A 70 10.704 9.229 4.927 1.00 1.00 H new ATOM 0 HD1 TRP A 70 8.447 7.706 2.312 1.00 1.00 H new ATOM 0 HE1 TRP A 70 6.522 9.279 1.860 1.00 1.00 H new ATOM 0 HE3 TRP A 70 9.447 11.192 5.876 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 5.538 11.755 2.893 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 7.979 13.180 6.124 1.00 1.00 H new ATOM 0 HH2 TRP A 70 6.018 13.460 4.629 1.00 1.00 H new ATOM 1195 N GLU A 71 13.372 7.784 3.530 1.00 1.00 N ATOM 1196 CA GLU A 71 14.640 7.337 4.215 1.00 1.00 C ATOM 1197 C GLU A 71 14.591 5.809 4.447 1.00 1.00 C ATOM 1198 O GLU A 71 13.853 5.109 3.778 1.00 1.00 O ATOM 1199 CB GLU A 71 14.776 8.062 5.561 1.00 1.00 C ATOM 1200 CG GLU A 71 14.722 9.579 5.344 1.00 1.00 C ATOM 1201 CD GLU A 71 14.972 10.298 6.674 1.00 1.00 C ATOM 1202 OE1 GLU A 71 14.014 10.507 7.403 1.00 1.00 O ATOM 1203 OE2 GLU A 71 16.116 10.629 6.941 1.00 1.00 O ATOM 0 H GLU A 71 13.507 8.394 2.724 1.00 1.00 H new ATOM 0 HA GLU A 71 15.498 7.578 3.587 1.00 1.00 H new ATOM 0 HB2 GLU A 71 13.975 7.753 6.233 1.00 1.00 H new ATOM 0 HB3 GLU A 71 15.717 7.787 6.039 1.00 1.00 H new ATOM 0 HG2 GLU A 71 15.471 9.878 4.611 1.00 1.00 H new ATOM 0 HG3 GLU A 71 13.750 9.865 4.942 1.00 1.00 H new ATOM 1210 N VAL A 72 15.360 5.280 5.388 1.00 1.00 N ATOM 1211 CA VAL A 72 15.329 3.798 5.642 1.00 1.00 C ATOM 1212 C VAL A 72 15.788 3.478 7.086 1.00 1.00 C ATOM 1213 O VAL A 72 14.973 3.256 7.969 1.00 1.00 O ATOM 1214 CB VAL A 72 16.250 3.073 4.634 1.00 1.00 C ATOM 1215 CG1 VAL A 72 16.356 1.587 4.997 1.00 1.00 C ATOM 1216 CG2 VAL A 72 15.677 3.195 3.216 1.00 1.00 C ATOM 0 H VAL A 72 15.999 5.808 5.982 1.00 1.00 H new ATOM 0 HA VAL A 72 14.304 3.450 5.517 1.00 1.00 H new ATOM 0 HB VAL A 72 17.237 3.534 4.673 1.00 1.00 H new ATOM 0 HG11 VAL A 72 17.007 1.083 4.282 1.00 1.00 H new ATOM 0 HG12 VAL A 72 16.772 1.486 6.000 1.00 1.00 H new ATOM 0 HG13 VAL A 72 15.365 1.134 4.968 1.00 1.00 H new ATOM 0 HG21 VAL A 72 16.333 2.681 2.513 1.00 1.00 H new ATOM 0 HG22 VAL A 72 14.686 2.743 3.184 1.00 1.00 H new ATOM 0 HG23 VAL A 72 15.605 4.248 2.942 1.00 1.00 H new ATOM 1226 N GLN A 73 17.089 3.427 7.311 1.00 1.00 N ATOM 1227 CA GLN A 73 17.649 3.085 8.667 1.00 1.00 C ATOM 1228 C GLN A 73 16.882 3.782 9.798 1.00 1.00 C ATOM 1229 O GLN A 73 16.446 4.913 9.673 1.00 1.00 O ATOM 1230 CB GLN A 73 19.122 3.497 8.729 1.00 1.00 C ATOM 1231 CG GLN A 73 19.932 2.652 7.739 1.00 1.00 C ATOM 1232 CD GLN A 73 21.266 2.249 8.376 1.00 1.00 C ATOM 1233 OE1 GLN A 73 21.348 1.245 9.056 1.00 1.00 O ATOM 1234 NE2 GLN A 73 22.322 2.991 8.180 1.00 1.00 N ATOM 0 H GLN A 73 17.796 3.611 6.599 1.00 1.00 H new ATOM 0 HA GLN A 73 17.547 2.009 8.806 1.00 1.00 H new ATOM 0 HB2 GLN A 73 19.225 4.555 8.489 1.00 1.00 H new ATOM 0 HB3 GLN A 73 19.507 3.360 9.740 1.00 1.00 H new ATOM 0 HG2 GLN A 73 19.368 1.762 7.459 1.00 1.00 H new ATOM 0 HG3 GLN A 73 20.111 3.217 6.824 1.00 1.00 H new ATOM 0 HE21 GLN A 73 22.254 3.834 7.609 1.00 1.00 H new ATOM 0 HE22 GLN A 73 23.215 2.728 8.597 1.00 1.00 H new ATOM 1243 N GLY A 74 16.728 3.093 10.909 1.00 1.00 N ATOM 1244 CA GLY A 74 16.001 3.670 12.080 1.00 1.00 C ATOM 1245 C GLY A 74 14.508 3.339 11.981 1.00 1.00 C ATOM 1246 O GLY A 74 13.926 2.787 12.897 1.00 1.00 O ATOM 0 H GLY A 74 17.080 2.146 11.051 1.00 1.00 H new ATOM 0 HA2 GLY A 74 16.411 3.269 13.007 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.142 4.750 12.110 1.00 1.00 H new ATOM 1250 N ASP A 75 13.894 3.683 10.872 1.00 1.00 N ATOM 1251 CA ASP A 75 12.437 3.423 10.663 1.00 1.00 C ATOM 1252 C ASP A 75 12.032 4.079 9.343 1.00 1.00 C ATOM 1253 O ASP A 75 12.733 4.952 8.852 1.00 1.00 O ATOM 1254 CB ASP A 75 11.619 4.037 11.806 1.00 1.00 C ATOM 1255 CG ASP A 75 11.934 5.534 11.947 1.00 1.00 C ATOM 1256 OD1 ASP A 75 11.285 6.322 11.275 1.00 1.00 O ATOM 1257 OD2 ASP A 75 12.813 5.866 12.725 1.00 1.00 O ATOM 0 H ASP A 75 14.355 4.143 10.087 1.00 1.00 H new ATOM 0 HA ASP A 75 12.248 2.350 10.640 1.00 1.00 H new ATOM 0 HB2 ASP A 75 10.555 3.899 11.615 1.00 1.00 H new ATOM 0 HB3 ASP A 75 11.844 3.522 12.740 1.00 1.00 H new ATOM 1262 N GLN A 76 10.933 3.685 8.744 1.00 1.00 N ATOM 1263 CA GLN A 76 10.567 4.324 7.451 1.00 1.00 C ATOM 1264 C GLN A 76 9.315 5.195 7.593 1.00 1.00 C ATOM 1265 O GLN A 76 8.419 4.912 8.367 1.00 1.00 O ATOM 1266 CB GLN A 76 10.316 3.233 6.404 1.00 1.00 C ATOM 1267 CG GLN A 76 10.037 3.879 5.041 1.00 1.00 C ATOM 1268 CD GLN A 76 10.806 3.140 3.942 1.00 1.00 C ATOM 1269 OE1 GLN A 76 10.145 2.513 3.009 1.00 1.00 O flip ATOM 1270 NE2 GLN A 76 12.021 3.136 3.930 1.00 1.00 N flip ATOM 0 H GLN A 76 10.293 2.969 9.086 1.00 1.00 H new ATOM 0 HA GLN A 76 11.391 4.966 7.139 1.00 1.00 H new ATOM 0 HB2 GLN A 76 11.183 2.575 6.335 1.00 1.00 H new ATOM 0 HB3 GLN A 76 9.470 2.615 6.704 1.00 1.00 H new ATOM 0 HG2 GLN A 76 8.968 3.852 4.829 1.00 1.00 H new ATOM 0 HG3 GLN A 76 10.332 4.928 5.060 1.00 1.00 H new ATOM 0 HE21 GLN A 76 12.540 3.626 4.659 1.00 1.00 H new ATOM 0 HE22 GLN A 76 12.522 2.643 3.191 1.00 1.00 H new ATOM 1279 N LYS A 77 9.242 6.230 6.797 1.00 1.00 N ATOM 1280 CA LYS A 77 8.027 7.110 6.791 1.00 1.00 C ATOM 1281 C LYS A 77 7.376 6.891 5.434 1.00 1.00 C ATOM 1282 O LYS A 77 8.040 6.471 4.512 1.00 1.00 O ATOM 1283 CB LYS A 77 8.419 8.580 6.989 1.00 1.00 C ATOM 1284 CG LYS A 77 8.713 8.843 8.470 1.00 1.00 C ATOM 1285 CD LYS A 77 7.414 8.762 9.279 1.00 1.00 C ATOM 1286 CE LYS A 77 7.698 9.107 10.743 1.00 1.00 C ATOM 1287 NZ LYS A 77 8.315 7.932 11.424 1.00 1.00 N ATOM 0 H LYS A 77 9.975 6.508 6.145 1.00 1.00 H new ATOM 0 HA LYS A 77 7.344 6.866 7.605 1.00 1.00 H new ATOM 0 HB2 LYS A 77 9.296 8.816 6.387 1.00 1.00 H new ATOM 0 HB3 LYS A 77 7.613 9.230 6.647 1.00 1.00 H new ATOM 0 HG2 LYS A 77 9.431 8.112 8.843 1.00 1.00 H new ATOM 0 HG3 LYS A 77 9.167 9.827 8.591 1.00 1.00 H new ATOM 0 HD2 LYS A 77 6.675 9.451 8.869 1.00 1.00 H new ATOM 0 HD3 LYS A 77 6.991 7.760 9.207 1.00 1.00 H new ATOM 0 HE2 LYS A 77 8.366 9.966 10.802 1.00 1.00 H new ATOM 0 HE3 LYS A 77 6.773 9.388 11.247 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 8.170 8.010 12.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 7.872 7.057 11.077 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.334 7.908 11.220 1.00 1.00 H new ATOM 1301 N CYS A 78 6.111 7.094 5.273 1.00 1.00 N ATOM 1302 CA CYS A 78 5.534 6.821 3.926 1.00 1.00 C ATOM 1303 C CYS A 78 4.436 7.801 3.581 1.00 1.00 C ATOM 1304 O CYS A 78 3.761 8.316 4.456 1.00 1.00 O ATOM 1305 CB CYS A 78 4.964 5.406 3.901 1.00 1.00 C ATOM 1306 SG CYS A 78 3.402 5.366 4.814 1.00 1.00 S ATOM 0 H CYS A 78 5.461 7.427 5.985 1.00 1.00 H new ATOM 0 HA CYS A 78 6.330 6.928 3.190 1.00 1.00 H new ATOM 0 HB2 CYS A 78 4.804 5.086 2.872 1.00 1.00 H new ATOM 0 HB3 CYS A 78 5.675 4.709 4.345 1.00 1.00 H new ATOM 0 HG CYS A 78 3.646 5.260 6.087 1.00 1.00 H new ATOM 1312 N ASP A 79 4.181 7.994 2.309 1.00 1.00 N ATOM 1313 CA ASP A 79 3.014 8.881 1.962 1.00 1.00 C ATOM 1314 C ASP A 79 1.935 7.920 1.473 1.00 1.00 C ATOM 1315 O ASP A 79 2.169 7.146 0.560 1.00 1.00 O ATOM 1316 CB ASP A 79 3.351 9.953 0.908 1.00 1.00 C ATOM 1317 CG ASP A 79 4.243 9.394 -0.195 1.00 1.00 C ATOM 1318 OD1 ASP A 79 5.448 9.385 -0.004 1.00 1.00 O ATOM 1319 OD2 ASP A 79 3.704 9.013 -1.222 1.00 1.00 O ATOM 0 H ASP A 79 4.700 7.599 1.525 1.00 1.00 H new ATOM 0 HA ASP A 79 2.695 9.464 2.826 1.00 1.00 H new ATOM 0 HB2 ASP A 79 2.429 10.337 0.472 1.00 1.00 H new ATOM 0 HB3 ASP A 79 3.850 10.794 1.390 1.00 1.00 H new ATOM 1324 N ILE A 80 0.800 7.873 2.128 1.00 1.00 N ATOM 1325 CA ILE A 80 -0.214 6.838 1.736 1.00 1.00 C ATOM 1326 C ILE A 80 -1.428 7.360 0.988 1.00 1.00 C ATOM 1327 O ILE A 80 -1.814 8.513 1.052 1.00 1.00 O ATOM 1328 CB ILE A 80 -0.746 6.092 2.966 1.00 1.00 C ATOM 1329 CG1 ILE A 80 -1.393 7.083 3.958 1.00 1.00 C ATOM 1330 CG2 ILE A 80 0.377 5.297 3.617 1.00 1.00 C ATOM 1331 CD1 ILE A 80 -0.420 7.466 5.074 1.00 1.00 C ATOM 0 H ILE A 80 0.534 8.488 2.897 1.00 1.00 H new ATOM 0 HA ILE A 80 0.344 6.190 1.060 1.00 1.00 H new ATOM 0 HB ILE A 80 -1.519 5.389 2.655 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -1.710 7.980 3.425 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -2.288 6.636 4.390 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -0.009 4.770 4.490 1.00 1.00 H new ATOM 0 HG22 ILE A 80 0.773 4.575 2.903 1.00 1.00 H new ATOM 0 HG23 ILE A 80 1.172 5.976 3.925 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -0.905 8.165 5.756 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -0.124 6.571 5.621 1.00 1.00 H new ATOM 0 HD13 ILE A 80 0.463 7.936 4.641 1.00 1.00 H new ATOM 1343 N ILE A 81 -2.063 6.414 0.354 1.00 1.00 N ATOM 1344 CA ILE A 81 -3.332 6.635 -0.371 1.00 1.00 C ATOM 1345 C ILE A 81 -4.319 5.690 0.324 1.00 1.00 C ATOM 1346 O ILE A 81 -4.044 4.503 0.458 1.00 1.00 O ATOM 1347 CB ILE A 81 -3.151 6.282 -1.859 1.00 1.00 C ATOM 1348 CG1 ILE A 81 -3.155 7.570 -2.688 1.00 1.00 C ATOM 1349 CG2 ILE A 81 -4.281 5.366 -2.339 1.00 1.00 C ATOM 1350 CD1 ILE A 81 -1.719 8.071 -2.868 1.00 1.00 C ATOM 0 H ILE A 81 -1.730 5.451 0.312 1.00 1.00 H new ATOM 0 HA ILE A 81 -3.677 7.669 -0.348 1.00 1.00 H new ATOM 0 HB ILE A 81 -2.202 5.760 -1.983 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -3.611 7.387 -3.661 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -3.757 8.332 -2.192 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -4.134 5.129 -3.393 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -4.276 4.445 -1.755 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -5.238 5.871 -2.211 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -1.725 8.987 -3.458 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -1.278 8.271 -1.891 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -1.131 7.312 -3.383 1.00 1.00 H new ATOM 1362 N TRP A 82 -5.415 6.205 0.830 1.00 1.00 N ATOM 1363 CA TRP A 82 -6.361 5.337 1.596 1.00 1.00 C ATOM 1364 C TRP A 82 -7.508 4.828 0.718 1.00 1.00 C ATOM 1365 O TRP A 82 -8.082 5.552 -0.077 1.00 1.00 O ATOM 1366 CB TRP A 82 -6.916 6.145 2.783 1.00 1.00 C ATOM 1367 CG TRP A 82 -8.264 5.631 3.183 1.00 1.00 C ATOM 1368 CD1 TRP A 82 -8.490 4.504 3.893 1.00 1.00 C ATOM 1369 CD2 TRP A 82 -9.569 6.205 2.895 1.00 1.00 C ATOM 1370 NE1 TRP A 82 -9.856 4.349 4.061 1.00 1.00 N ATOM 1371 CE2 TRP A 82 -10.562 5.375 3.464 1.00 1.00 C ATOM 1372 CE3 TRP A 82 -9.982 7.356 2.204 1.00 1.00 C ATOM 1373 CZ2 TRP A 82 -11.918 5.676 3.348 1.00 1.00 C ATOM 1374 CZ3 TRP A 82 -11.346 7.663 2.086 1.00 1.00 C ATOM 1375 CH2 TRP A 82 -12.312 6.825 2.658 1.00 1.00 C ATOM 0 H TRP A 82 -5.693 7.183 0.746 1.00 1.00 H new ATOM 0 HA TRP A 82 -5.820 4.460 1.953 1.00 1.00 H new ATOM 0 HB2 TRP A 82 -6.230 6.079 3.628 1.00 1.00 H new ATOM 0 HB3 TRP A 82 -6.988 7.198 2.512 1.00 1.00 H new ATOM 0 HD1 TRP A 82 -7.730 3.834 4.268 1.00 1.00 H new ATOM 0 HE1 TRP A 82 -10.287 3.573 4.563 1.00 1.00 H new ATOM 0 HE3 TRP A 82 -9.245 8.009 1.761 1.00 1.00 H new ATOM 0 HZ2 TRP A 82 -12.659 5.025 3.789 1.00 1.00 H new ATOM 0 HZ3 TRP A 82 -11.653 8.550 1.551 1.00 1.00 H new ATOM 0 HH2 TRP A 82 -13.360 7.067 2.566 1.00 1.00 H new ATOM 1386 N ARG A 83 -7.835 3.566 0.894 1.00 1.00 N ATOM 1387 CA ARG A 83 -8.942 2.923 0.125 1.00 1.00 C ATOM 1388 C ARG A 83 -9.006 1.426 0.486 1.00 1.00 C ATOM 1389 O ARG A 83 -8.386 0.974 1.440 1.00 1.00 O ATOM 1390 CB ARG A 83 -8.680 3.075 -1.382 1.00 1.00 C ATOM 1391 CG ARG A 83 -9.912 3.688 -2.054 1.00 1.00 C ATOM 1392 CD ARG A 83 -9.470 4.739 -3.076 1.00 1.00 C ATOM 1393 NE ARG A 83 -10.317 5.958 -2.937 1.00 1.00 N ATOM 1394 CZ ARG A 83 -11.484 6.016 -3.521 1.00 1.00 C ATOM 1395 NH1 ARG A 83 -11.565 6.317 -4.792 1.00 1.00 N ATOM 1396 NH2 ARG A 83 -12.571 5.774 -2.834 1.00 1.00 N ATOM 0 H ARG A 83 -7.367 2.945 1.555 1.00 1.00 H new ATOM 0 HA ARG A 83 -9.888 3.403 0.376 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.809 3.708 -1.549 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.457 2.104 -1.823 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -10.495 2.910 -2.547 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -10.558 4.144 -1.304 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.421 4.993 -2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.555 4.338 -4.086 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.985 6.748 -2.385 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -10.717 6.506 -5.326 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -12.476 6.362 -5.248 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -12.507 5.540 -1.843 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.483 5.819 -3.289 1.00 1.00 H new ATOM 1410 N TYR A 84 -9.746 0.658 -0.285 1.00 1.00 N ATOM 1411 CA TYR A 84 -9.866 -0.815 -0.037 1.00 1.00 C ATOM 1412 C TYR A 84 -10.439 -1.074 1.363 1.00 1.00 C ATOM 1413 O TYR A 84 -9.712 -1.224 2.331 1.00 1.00 O ATOM 1414 CB TYR A 84 -8.485 -1.482 -0.167 1.00 1.00 C ATOM 1415 CG TYR A 84 -7.696 -0.843 -1.292 1.00 1.00 C ATOM 1416 CD1 TYR A 84 -8.198 -0.857 -2.600 1.00 1.00 C ATOM 1417 CD2 TYR A 84 -6.463 -0.236 -1.023 1.00 1.00 C ATOM 1418 CE1 TYR A 84 -7.467 -0.264 -3.636 1.00 1.00 C ATOM 1419 CE2 TYR A 84 -5.732 0.356 -2.060 1.00 1.00 C ATOM 1420 CZ TYR A 84 -6.234 0.342 -3.366 1.00 1.00 C ATOM 1421 OH TYR A 84 -5.513 0.927 -4.388 1.00 1.00 O ATOM 0 H TYR A 84 -10.278 0.997 -1.086 1.00 1.00 H new ATOM 0 HA TYR A 84 -10.542 -1.241 -0.778 1.00 1.00 H new ATOM 0 HB2 TYR A 84 -7.937 -1.386 0.771 1.00 1.00 H new ATOM 0 HB3 TYR A 84 -8.605 -2.548 -0.358 1.00 1.00 H new ATOM 0 HD1 TYR A 84 -9.149 -1.325 -2.809 1.00 1.00 H new ATOM 0 HD2 TYR A 84 -6.076 -0.225 -0.015 1.00 1.00 H new ATOM 0 HE1 TYR A 84 -7.854 -0.274 -4.644 1.00 1.00 H new ATOM 0 HE2 TYR A 84 -4.781 0.823 -1.852 1.00 1.00 H new ATOM 0 HH TYR A 84 -4.682 1.302 -4.029 1.00 1.00 H new ATOM 1431 N THR A 85 -11.746 -1.141 1.470 1.00 1.00 N ATOM 1432 CA THR A 85 -12.384 -1.406 2.798 1.00 1.00 C ATOM 1433 C THR A 85 -12.198 -2.886 3.172 1.00 1.00 C ATOM 1434 O THR A 85 -12.132 -3.232 4.337 1.00 1.00 O ATOM 1435 CB THR A 85 -13.882 -1.062 2.731 1.00 1.00 C ATOM 1436 OG1 THR A 85 -14.442 -1.130 4.036 1.00 1.00 O ATOM 1437 CG2 THR A 85 -14.612 -2.048 1.811 1.00 1.00 C ATOM 0 H THR A 85 -12.398 -1.023 0.694 1.00 1.00 H new ATOM 0 HA THR A 85 -11.912 -0.784 3.559 1.00 1.00 H new ATOM 0 HB THR A 85 -13.996 -0.054 2.332 1.00 1.00 H new ATOM 0 HG1 THR A 85 -15.396 -0.909 3.995 1.00 1.00 H new ATOM 0 HG21 THR A 85 -15.671 -1.794 1.772 1.00 1.00 H new ATOM 0 HG22 THR A 85 -14.188 -1.992 0.808 1.00 1.00 H new ATOM 0 HG23 THR A 85 -14.496 -3.060 2.198 1.00 1.00 H new ATOM 1445 N LYS A 86 -12.109 -3.756 2.187 1.00 1.00 N ATOM 1446 CA LYS A 86 -11.924 -5.214 2.468 1.00 1.00 C ATOM 1447 C LYS A 86 -10.451 -5.606 2.241 1.00 1.00 C ATOM 1448 O LYS A 86 -9.568 -4.765 2.254 1.00 1.00 O ATOM 1449 CB LYS A 86 -12.842 -6.026 1.540 1.00 1.00 C ATOM 1450 CG LYS A 86 -12.393 -5.866 0.082 1.00 1.00 C ATOM 1451 CD LYS A 86 -13.519 -6.314 -0.854 1.00 1.00 C ATOM 1452 CE LYS A 86 -13.939 -5.143 -1.748 1.00 1.00 C ATOM 1453 NZ LYS A 86 -14.828 -5.639 -2.836 1.00 1.00 N ATOM 0 H LYS A 86 -12.157 -3.513 1.197 1.00 1.00 H new ATOM 0 HA LYS A 86 -12.184 -5.426 3.505 1.00 1.00 H new ATOM 0 HB2 LYS A 86 -12.818 -7.079 1.822 1.00 1.00 H new ATOM 0 HB3 LYS A 86 -13.873 -5.689 1.650 1.00 1.00 H new ATOM 0 HG2 LYS A 86 -12.133 -4.826 -0.117 1.00 1.00 H new ATOM 0 HG3 LYS A 86 -11.497 -6.459 -0.100 1.00 1.00 H new ATOM 0 HD2 LYS A 86 -13.185 -7.151 -1.467 1.00 1.00 H new ATOM 0 HD3 LYS A 86 -14.371 -6.665 -0.272 1.00 1.00 H new ATOM 0 HE2 LYS A 86 -14.457 -4.388 -1.156 1.00 1.00 H new ATOM 0 HE3 LYS A 86 -13.058 -4.664 -2.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 86 -15.112 -4.843 -3.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 86 -14.319 -6.344 -3.406 1.00 1.00 H new ATOM 0 HZ3 LYS A 86 -15.675 -6.077 -2.420 1.00 1.00 H new ATOM 1467 N THR A 87 -10.182 -6.880 2.041 1.00 1.00 N ATOM 1468 CA THR A 87 -8.772 -7.342 1.818 1.00 1.00 C ATOM 1469 C THR A 87 -8.201 -6.708 0.541 1.00 1.00 C ATOM 1470 O THR A 87 -8.918 -6.444 -0.410 1.00 1.00 O ATOM 1471 CB THR A 87 -8.739 -8.873 1.684 1.00 1.00 C ATOM 1472 OG1 THR A 87 -9.722 -9.296 0.747 1.00 1.00 O ATOM 1473 CG2 THR A 87 -9.017 -9.515 3.045 1.00 1.00 C ATOM 0 H THR A 87 -10.883 -7.621 2.023 1.00 1.00 H new ATOM 0 HA THR A 87 -8.166 -7.037 2.671 1.00 1.00 H new ATOM 0 HB THR A 87 -7.754 -9.180 1.334 1.00 1.00 H new ATOM 0 HG1 THR A 87 -9.696 -10.272 0.664 1.00 1.00 H new ATOM 0 HG21 THR A 87 -8.993 -10.600 2.947 1.00 1.00 H new ATOM 0 HG22 THR A 87 -8.257 -9.198 3.759 1.00 1.00 H new ATOM 0 HG23 THR A 87 -10.000 -9.204 3.400 1.00 1.00 H new ATOM 1481 N GLN A 88 -6.910 -6.469 0.519 1.00 1.00 N ATOM 1482 CA GLN A 88 -6.265 -5.855 -0.686 1.00 1.00 C ATOM 1483 C GLN A 88 -4.748 -6.095 -0.651 1.00 1.00 C ATOM 1484 O GLN A 88 -4.142 -6.384 -1.668 1.00 1.00 O ATOM 1485 CB GLN A 88 -6.543 -4.350 -0.708 1.00 1.00 C ATOM 1486 CG GLN A 88 -6.695 -3.882 -2.158 1.00 1.00 C ATOM 1487 CD GLN A 88 -8.050 -4.341 -2.710 1.00 1.00 C ATOM 1488 OE1 GLN A 88 -9.085 -3.846 -2.306 1.00 1.00 O ATOM 1489 NE2 GLN A 88 -8.087 -5.276 -3.621 1.00 1.00 N ATOM 0 H GLN A 88 -6.273 -6.674 1.288 1.00 1.00 H new ATOM 0 HA GLN A 88 -6.679 -6.316 -1.583 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -7.450 -4.128 -0.146 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -5.728 -3.811 -0.224 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -6.620 -2.796 -2.209 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -5.887 -4.287 -2.768 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -7.220 -5.692 -3.961 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -8.983 -5.590 -3.993 1.00 1.00 H new ATOM 1498 N VAL A 89 -4.135 -5.978 0.509 1.00 1.00 N ATOM 1499 CA VAL A 89 -2.656 -6.200 0.628 1.00 1.00 C ATOM 1500 C VAL A 89 -2.288 -7.577 0.048 1.00 1.00 C ATOM 1501 O VAL A 89 -1.237 -7.739 -0.546 1.00 1.00 O ATOM 1502 CB VAL A 89 -2.253 -6.113 2.111 1.00 1.00 C ATOM 1503 CG1 VAL A 89 -0.949 -6.878 2.362 1.00 1.00 C ATOM 1504 CG2 VAL A 89 -2.055 -4.643 2.490 1.00 1.00 C ATOM 0 H VAL A 89 -4.602 -5.736 1.383 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.119 -5.436 0.066 1.00 1.00 H new ATOM 0 HB VAL A 89 -3.042 -6.557 2.718 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.681 -6.804 3.416 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -1.085 -7.926 2.094 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.152 -6.449 1.754 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.769 -4.573 3.540 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.270 -4.210 1.871 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -2.985 -4.098 2.330 1.00 1.00 H new ATOM 1514 N GLU A 90 -3.148 -8.562 0.206 1.00 1.00 N ATOM 1515 CA GLU A 90 -2.858 -9.926 -0.345 1.00 1.00 C ATOM 1516 C GLU A 90 -2.602 -9.825 -1.857 1.00 1.00 C ATOM 1517 O GLU A 90 -1.671 -10.416 -2.374 1.00 1.00 O ATOM 1518 CB GLU A 90 -4.054 -10.849 -0.087 1.00 1.00 C ATOM 1519 CG GLU A 90 -3.578 -12.305 -0.031 1.00 1.00 C ATOM 1520 CD GLU A 90 -3.727 -12.843 1.396 1.00 1.00 C ATOM 1521 OE1 GLU A 90 -4.804 -13.316 1.722 1.00 1.00 O ATOM 1522 OE2 GLU A 90 -2.761 -12.774 2.139 1.00 1.00 O ATOM 0 H GLU A 90 -4.039 -8.477 0.694 1.00 1.00 H new ATOM 0 HA GLU A 90 -1.974 -10.334 0.145 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -4.539 -10.578 0.851 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -4.796 -10.729 -0.876 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -4.160 -12.915 -0.722 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -2.537 -12.370 -0.347 1.00 1.00 H new ATOM 1529 N TRP A 91 -3.419 -9.069 -2.560 1.00 1.00 N ATOM 1530 CA TRP A 91 -3.230 -8.907 -4.037 1.00 1.00 C ATOM 1531 C TRP A 91 -1.898 -8.180 -4.296 1.00 1.00 C ATOM 1532 O TRP A 91 -1.126 -8.581 -5.148 1.00 1.00 O ATOM 1533 CB TRP A 91 -4.419 -8.110 -4.615 1.00 1.00 C ATOM 1534 CG TRP A 91 -3.972 -7.199 -5.719 1.00 1.00 C ATOM 1535 CD1 TRP A 91 -3.560 -7.600 -6.945 1.00 1.00 C ATOM 1536 CD2 TRP A 91 -3.886 -5.746 -5.714 1.00 1.00 C ATOM 1537 NE1 TRP A 91 -3.224 -6.483 -7.690 1.00 1.00 N ATOM 1538 CE2 TRP A 91 -3.409 -5.316 -6.974 1.00 1.00 C ATOM 1539 CE3 TRP A 91 -4.174 -4.768 -4.745 1.00 1.00 C ATOM 1540 CZ2 TRP A 91 -3.224 -3.963 -7.263 1.00 1.00 C ATOM 1541 CZ3 TRP A 91 -3.988 -3.406 -5.032 1.00 1.00 C ATOM 1542 CH2 TRP A 91 -3.514 -3.005 -6.289 1.00 1.00 C ATOM 0 H TRP A 91 -4.210 -8.557 -2.170 1.00 1.00 H new ATOM 0 HA TRP A 91 -3.196 -9.880 -4.527 1.00 1.00 H new ATOM 0 HB2 TRP A 91 -5.174 -8.800 -4.992 1.00 1.00 H new ATOM 0 HB3 TRP A 91 -4.888 -7.525 -3.824 1.00 1.00 H new ATOM 0 HD1 TRP A 91 -3.503 -8.623 -7.286 1.00 1.00 H new ATOM 0 HE1 TRP A 91 -2.882 -6.517 -8.650 1.00 1.00 H new ATOM 0 HE3 TRP A 91 -4.541 -5.066 -3.774 1.00 1.00 H new ATOM 0 HZ2 TRP A 91 -2.859 -3.659 -8.233 1.00 1.00 H new ATOM 0 HZ3 TRP A 91 -4.211 -2.663 -4.280 1.00 1.00 H new ATOM 0 HH2 TRP A 91 -3.373 -1.956 -6.504 1.00 1.00 H new ATOM 1553 N LEU A 92 -1.624 -7.123 -3.558 1.00 1.00 N ATOM 1554 CA LEU A 92 -0.338 -6.374 -3.746 1.00 1.00 C ATOM 1555 C LEU A 92 0.841 -7.335 -3.540 1.00 1.00 C ATOM 1556 O LEU A 92 1.815 -7.304 -4.274 1.00 1.00 O ATOM 1557 CB LEU A 92 -0.250 -5.233 -2.725 1.00 1.00 C ATOM 1558 CG LEU A 92 -1.185 -4.092 -3.135 1.00 1.00 C ATOM 1559 CD1 LEU A 92 -1.944 -3.584 -1.906 1.00 1.00 C ATOM 1560 CD2 LEU A 92 -0.361 -2.949 -3.733 1.00 1.00 C ATOM 0 H LEU A 92 -2.238 -6.749 -2.834 1.00 1.00 H new ATOM 0 HA LEU A 92 -0.303 -5.959 -4.753 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -0.521 -5.598 -1.734 1.00 1.00 H new ATOM 0 HB3 LEU A 92 0.775 -4.869 -2.661 1.00 1.00 H new ATOM 0 HG LEU A 92 -1.897 -4.455 -3.876 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -2.609 -2.772 -2.199 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -2.531 -4.397 -1.479 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -1.233 -3.221 -1.164 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -1.025 -2.136 -4.025 1.00 1.00 H new ATOM 0 HD22 LEU A 92 0.351 -2.587 -2.991 1.00 1.00 H new ATOM 0 HD23 LEU A 92 0.179 -3.309 -4.609 1.00 1.00 H new ATOM 1572 N LYS A 93 0.745 -8.199 -2.552 1.00 1.00 N ATOM 1573 CA LYS A 93 1.836 -9.187 -2.284 1.00 1.00 C ATOM 1574 C LYS A 93 2.056 -10.051 -3.532 1.00 1.00 C ATOM 1575 O LYS A 93 3.171 -10.206 -3.999 1.00 1.00 O ATOM 1576 CB LYS A 93 1.426 -10.087 -1.113 1.00 1.00 C ATOM 1577 CG LYS A 93 2.177 -9.667 0.151 1.00 1.00 C ATOM 1578 CD LYS A 93 1.629 -10.444 1.350 1.00 1.00 C ATOM 1579 CE LYS A 93 0.377 -9.743 1.884 1.00 1.00 C ATOM 1580 NZ LYS A 93 -0.564 -10.754 2.444 1.00 1.00 N ATOM 0 H LYS A 93 -0.051 -8.259 -1.917 1.00 1.00 H new ATOM 0 HA LYS A 93 2.757 -8.658 -2.037 1.00 1.00 H new ATOM 0 HB2 LYS A 93 0.351 -10.018 -0.948 1.00 1.00 H new ATOM 0 HB3 LYS A 93 1.646 -11.128 -1.348 1.00 1.00 H new ATOM 0 HG2 LYS A 93 3.243 -9.861 0.035 1.00 1.00 H new ATOM 0 HG3 LYS A 93 2.064 -8.595 0.315 1.00 1.00 H new ATOM 0 HD2 LYS A 93 1.389 -11.466 1.056 1.00 1.00 H new ATOM 0 HD3 LYS A 93 2.385 -10.507 2.133 1.00 1.00 H new ATOM 0 HE2 LYS A 93 0.652 -9.022 2.654 1.00 1.00 H new ATOM 0 HE3 LYS A 93 -0.108 -9.184 1.084 1.00 1.00 H new ATOM 0 HZ1 LYS A 93 -1.382 -10.270 2.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 93 -0.889 -11.384 1.683 1.00 1.00 H new ATOM 0 HZ3 LYS A 93 -0.078 -11.314 3.173 1.00 1.00 H new ATOM 1594 N ARG A 94 0.991 -10.600 -4.075 1.00 1.00 N ATOM 1595 CA ARG A 94 1.107 -11.448 -5.303 1.00 1.00 C ATOM 1596 C ARG A 94 1.786 -10.645 -6.419 1.00 1.00 C ATOM 1597 O ARG A 94 2.555 -11.182 -7.195 1.00 1.00 O ATOM 1598 CB ARG A 94 -0.289 -11.877 -5.762 1.00 1.00 C ATOM 1599 CG ARG A 94 -0.194 -13.208 -6.514 1.00 1.00 C ATOM 1600 CD ARG A 94 -1.217 -14.192 -5.944 1.00 1.00 C ATOM 1601 NE ARG A 94 -2.560 -13.908 -6.527 1.00 1.00 N ATOM 1602 CZ ARG A 94 -3.227 -14.859 -7.123 1.00 1.00 C ATOM 1603 NH1 ARG A 94 -4.045 -15.613 -6.435 1.00 1.00 N ATOM 1604 NH2 ARG A 94 -3.077 -15.058 -8.408 1.00 1.00 N ATOM 0 H ARG A 94 0.042 -10.495 -3.716 1.00 1.00 H new ATOM 0 HA ARG A 94 1.703 -12.332 -5.077 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -0.950 -11.980 -4.902 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -0.722 -11.113 -6.407 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -0.378 -13.051 -7.577 1.00 1.00 H new ATOM 0 HG3 ARG A 94 0.811 -13.619 -6.422 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -0.919 -15.215 -6.172 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -1.255 -14.105 -4.858 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.957 -12.971 -6.460 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -4.161 -15.458 -5.434 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -4.566 -16.356 -6.900 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -2.439 -14.470 -8.944 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -3.598 -15.801 -8.873 1.00 1.00 H new ATOM 1618 N LYS A 95 1.508 -9.363 -6.492 1.00 1.00 N ATOM 1619 CA LYS A 95 2.134 -8.505 -7.542 1.00 1.00 C ATOM 1620 C LYS A 95 3.657 -8.484 -7.358 1.00 1.00 C ATOM 1621 O LYS A 95 4.397 -8.448 -8.324 1.00 1.00 O ATOM 1622 CB LYS A 95 1.585 -7.078 -7.433 1.00 1.00 C ATOM 1623 CG LYS A 95 1.824 -6.332 -8.749 1.00 1.00 C ATOM 1624 CD LYS A 95 0.624 -6.534 -9.679 1.00 1.00 C ATOM 1625 CE LYS A 95 0.970 -6.024 -11.080 1.00 1.00 C ATOM 1626 NZ LYS A 95 0.310 -6.885 -12.102 1.00 1.00 N ATOM 0 H LYS A 95 0.870 -8.875 -5.864 1.00 1.00 H new ATOM 0 HA LYS A 95 1.897 -8.912 -8.525 1.00 1.00 H new ATOM 0 HB2 LYS A 95 0.519 -7.104 -7.207 1.00 1.00 H new ATOM 0 HB3 LYS A 95 2.072 -6.552 -6.612 1.00 1.00 H new ATOM 0 HG2 LYS A 95 1.972 -5.270 -8.555 1.00 1.00 H new ATOM 0 HG3 LYS A 95 2.733 -6.698 -9.227 1.00 1.00 H new ATOM 0 HD2 LYS A 95 0.357 -7.590 -9.721 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -0.244 -6.001 -9.291 1.00 1.00 H new ATOM 0 HE2 LYS A 95 0.642 -4.991 -11.193 1.00 1.00 H new ATOM 0 HE3 LYS A 95 2.050 -6.033 -11.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 0.984 -7.096 -12.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -0.001 -7.773 -11.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -0.514 -6.387 -12.496 1.00 1.00 H new ATOM 1640 N GLY A 96 4.131 -8.514 -6.128 1.00 1.00 N ATOM 1641 CA GLY A 96 5.607 -8.505 -5.888 1.00 1.00 C ATOM 1642 C GLY A 96 6.223 -9.816 -6.388 1.00 1.00 C ATOM 1643 O GLY A 96 7.309 -9.831 -6.940 1.00 1.00 O ATOM 0 H GLY A 96 3.557 -8.544 -5.286 1.00 1.00 H new ATOM 0 HA2 GLY A 96 6.063 -7.659 -6.402 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.811 -8.379 -4.825 1.00 1.00 H new ATOM 1647 N TYR A 97 5.540 -10.915 -6.171 1.00 1.00 N ATOM 1648 CA TYR A 97 6.069 -12.254 -6.597 1.00 1.00 C ATOM 1649 C TYR A 97 6.146 -12.348 -8.127 1.00 1.00 C ATOM 1650 O TYR A 97 7.185 -12.675 -8.673 1.00 1.00 O ATOM 1651 CB TYR A 97 5.167 -13.371 -6.048 1.00 1.00 C ATOM 1652 CG TYR A 97 4.759 -13.058 -4.621 1.00 1.00 C ATOM 1653 CD1 TYR A 97 5.633 -12.363 -3.769 1.00 1.00 C ATOM 1654 CD2 TYR A 97 3.500 -13.449 -4.155 1.00 1.00 C ATOM 1655 CE1 TYR A 97 5.246 -12.064 -2.460 1.00 1.00 C ATOM 1656 CE2 TYR A 97 3.113 -13.151 -2.845 1.00 1.00 C ATOM 1657 CZ TYR A 97 3.985 -12.458 -1.996 1.00 1.00 C ATOM 1658 OH TYR A 97 3.605 -12.169 -0.701 1.00 1.00 O ATOM 0 H TYR A 97 4.629 -10.943 -5.712 1.00 1.00 H new ATOM 0 HA TYR A 97 7.075 -12.372 -6.194 1.00 1.00 H new ATOM 0 HB2 TYR A 97 4.280 -13.474 -6.674 1.00 1.00 H new ATOM 0 HB3 TYR A 97 5.694 -14.325 -6.083 1.00 1.00 H new ATOM 0 HD1 TYR A 97 6.606 -12.059 -4.126 1.00 1.00 H new ATOM 0 HD2 TYR A 97 2.825 -13.982 -4.808 1.00 1.00 H new ATOM 0 HE1 TYR A 97 5.919 -11.529 -1.806 1.00 1.00 H new ATOM 0 HE2 TYR A 97 2.141 -13.456 -2.487 1.00 1.00 H new ATOM 0 HH TYR A 97 4.393 -11.912 -0.178 1.00 1.00 H new ATOM 1668 N LEU A 98 5.063 -12.071 -8.825 1.00 1.00 N ATOM 1669 CA LEU A 98 5.091 -12.153 -10.324 1.00 1.00 C ATOM 1670 C LEU A 98 6.100 -11.142 -10.884 1.00 1.00 C ATOM 1671 O LEU A 98 6.756 -11.401 -11.877 1.00 1.00 O ATOM 1672 CB LEU A 98 3.691 -11.878 -10.903 1.00 1.00 C ATOM 1673 CG LEU A 98 3.214 -10.470 -10.526 1.00 1.00 C ATOM 1674 CD1 LEU A 98 3.560 -9.487 -11.650 1.00 1.00 C ATOM 1675 CD2 LEU A 98 1.697 -10.487 -10.323 1.00 1.00 C ATOM 0 H LEU A 98 4.168 -11.794 -8.423 1.00 1.00 H new ATOM 0 HA LEU A 98 5.396 -13.159 -10.614 1.00 1.00 H new ATOM 0 HB2 LEU A 98 3.714 -11.981 -11.988 1.00 1.00 H new ATOM 0 HB3 LEU A 98 2.985 -12.619 -10.528 1.00 1.00 H new ATOM 0 HG LEU A 98 3.708 -10.157 -9.606 1.00 1.00 H new ATOM 0 HD11 LEU A 98 3.219 -8.488 -11.378 1.00 1.00 H new ATOM 0 HD12 LEU A 98 4.639 -9.473 -11.802 1.00 1.00 H new ATOM 0 HD13 LEU A 98 3.068 -9.800 -12.571 1.00 1.00 H new ATOM 0 HD21 LEU A 98 1.355 -9.488 -10.055 1.00 1.00 H new ATOM 0 HD22 LEU A 98 1.210 -10.802 -11.246 1.00 1.00 H new ATOM 0 HD23 LEU A 98 1.445 -11.184 -9.524 1.00 1.00 H new ATOM 1687 N ASP A 99 6.230 -9.996 -10.252 1.00 1.00 N ATOM 1688 CA ASP A 99 7.200 -8.963 -10.735 1.00 1.00 C ATOM 1689 C ASP A 99 8.629 -9.516 -10.660 1.00 1.00 C ATOM 1690 O ASP A 99 9.440 -9.270 -11.536 1.00 1.00 O ATOM 1691 CB ASP A 99 7.095 -7.708 -9.858 1.00 1.00 C ATOM 1692 CG ASP A 99 6.600 -6.529 -10.700 1.00 1.00 C ATOM 1693 OD1 ASP A 99 7.422 -5.910 -11.358 1.00 1.00 O ATOM 1694 OD2 ASP A 99 5.409 -6.262 -10.672 1.00 1.00 O ATOM 0 H ASP A 99 5.703 -9.733 -9.419 1.00 1.00 H new ATOM 0 HA ASP A 99 6.964 -8.708 -11.768 1.00 1.00 H new ATOM 0 HB2 ASP A 99 6.410 -7.888 -9.029 1.00 1.00 H new ATOM 0 HB3 ASP A 99 8.067 -7.474 -9.423 1.00 1.00 H new ATOM 1699 N GLU A 100 8.941 -10.260 -9.619 1.00 1.00 N ATOM 1700 CA GLU A 100 10.315 -10.837 -9.474 1.00 1.00 C ATOM 1701 C GLU A 100 10.610 -11.776 -10.650 1.00 1.00 C ATOM 1702 O GLU A 100 11.608 -11.629 -11.332 1.00 1.00 O ATOM 1703 CB GLU A 100 10.409 -11.619 -8.160 1.00 1.00 C ATOM 1704 CG GLU A 100 10.471 -10.641 -6.981 1.00 1.00 C ATOM 1705 CD GLU A 100 10.251 -11.400 -5.668 1.00 1.00 C ATOM 1706 OE1 GLU A 100 9.103 -11.581 -5.295 1.00 1.00 O ATOM 1707 OE2 GLU A 100 11.234 -11.785 -5.056 1.00 1.00 O ATOM 0 H GLU A 100 8.297 -10.491 -8.862 1.00 1.00 H new ATOM 0 HA GLU A 100 11.044 -10.027 -9.467 1.00 1.00 H new ATOM 0 HB2 GLU A 100 9.546 -12.277 -8.054 1.00 1.00 H new ATOM 0 HB3 GLU A 100 11.295 -12.254 -8.166 1.00 1.00 H new ATOM 0 HG2 GLU A 100 11.438 -10.138 -6.964 1.00 1.00 H new ATOM 0 HG3 GLU A 100 9.711 -9.868 -7.097 1.00 1.00 H new ATOM 1714 N LEU A 101 9.746 -12.736 -10.892 1.00 1.00 N ATOM 1715 CA LEU A 101 9.968 -13.688 -12.025 1.00 1.00 C ATOM 1716 C LEU A 101 9.169 -13.219 -13.247 1.00 1.00 C ATOM 1717 O LEU A 101 7.980 -13.469 -13.359 1.00 1.00 O ATOM 1718 CB LEU A 101 9.516 -15.095 -11.610 1.00 1.00 C ATOM 1719 CG LEU A 101 10.732 -15.949 -11.226 1.00 1.00 C ATOM 1720 CD1 LEU A 101 11.672 -16.083 -12.428 1.00 1.00 C ATOM 1721 CD2 LEU A 101 11.480 -15.287 -10.062 1.00 1.00 C ATOM 0 H LEU A 101 8.896 -12.900 -10.352 1.00 1.00 H new ATOM 0 HA LEU A 101 11.028 -13.716 -12.279 1.00 1.00 H new ATOM 0 HB2 LEU A 101 8.827 -15.030 -10.768 1.00 1.00 H new ATOM 0 HB3 LEU A 101 8.974 -15.568 -12.429 1.00 1.00 H new ATOM 0 HG LEU A 101 10.392 -16.939 -10.922 1.00 1.00 H new ATOM 0 HD11 LEU A 101 12.534 -16.690 -12.150 1.00 1.00 H new ATOM 0 HD12 LEU A 101 11.142 -16.560 -13.253 1.00 1.00 H new ATOM 0 HD13 LEU A 101 12.010 -15.094 -12.738 1.00 1.00 H new ATOM 0 HD21 LEU A 101 12.343 -15.895 -9.791 1.00 1.00 H new ATOM 0 HD22 LEU A 101 11.816 -14.294 -10.363 1.00 1.00 H new ATOM 0 HD23 LEU A 101 10.814 -15.200 -9.204 1.00 1.00 H new ATOM 1733 N LEU A 102 9.817 -12.534 -14.160 1.00 1.00 N ATOM 1734 CA LEU A 102 9.114 -12.036 -15.382 1.00 1.00 C ATOM 1735 C LEU A 102 9.736 -12.667 -16.637 1.00 1.00 C ATOM 1736 O LEU A 102 10.945 -12.574 -16.798 1.00 1.00 O ATOM 1737 CB LEU A 102 9.239 -10.508 -15.452 1.00 1.00 C ATOM 1738 CG LEU A 102 7.901 -9.901 -15.880 1.00 1.00 C ATOM 1739 CD1 LEU A 102 6.989 -9.758 -14.658 1.00 1.00 C ATOM 1740 CD2 LEU A 102 8.143 -8.522 -16.499 1.00 1.00 C ATOM 1741 OXT LEU A 102 8.989 -13.235 -17.419 1.00 1.00 O ATOM 0 H LEU A 102 10.808 -12.298 -14.109 1.00 1.00 H new ATOM 0 HA LEU A 102 8.061 -12.313 -15.332 1.00 1.00 H new ATOM 0 HB2 LEU A 102 9.535 -10.113 -14.480 1.00 1.00 H new ATOM 0 HB3 LEU A 102 10.019 -10.229 -16.160 1.00 1.00 H new ATOM 0 HG LEU A 102 7.425 -10.552 -16.613 1.00 1.00 H new ATOM 0 HD11 LEU A 102 6.036 -9.326 -14.964 1.00 1.00 H new ATOM 0 HD12 LEU A 102 6.817 -10.739 -14.216 1.00 1.00 H new ATOM 0 HD13 LEU A 102 7.464 -9.107 -13.924 1.00 1.00 H new ATOM 0 HD21 LEU A 102 7.191 -8.088 -16.804 1.00 1.00 H new ATOM 0 HD22 LEU A 102 8.619 -7.872 -15.765 1.00 1.00 H new ATOM 0 HD23 LEU A 102 8.792 -8.623 -17.369 1.00 1.00 H new TER 1753 LEU A 102