USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 54 SER OG : rot -42:sc= 0.28 USER MOD Set 1.2: A 56 THR OG1 : rot 63:sc= 0.894 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 LYS NZ :NH3+ 154:sc= -0.287 (180deg=-1.57!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 160:sc= -0.0476 (180deg=-0.496) USER MOD Set 3.2: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -3.99! C(o=-4!,f=-7.5!) USER MOD Single : A 5 ASN : amide:sc= -1.75! C(o=-1.7!,f=-0.46!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -106:sc= 0.305 (180deg=-0.000157) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.86) USER MOD Single : A 19 SER OG : rot -121:sc= 1.65 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 30 SER OG : rot -21:sc= -0.68! USER MOD Single : A 37 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -140:sc= -0.162 USER MOD Single : A 49 SER OG : rot -10:sc= 0.0344! USER MOD Single : A 61 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-5.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 70 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= 0.746 (180deg=-0.565) USER MOD Single : A 76 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.5!) USER MOD Single : A 83 ASN : amide:sc= -1.98 K(o=-2,f=-0.66) USER MOD Single : A 87 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.153 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.05! K(o=-1!,f=-0.082) USER MOD Single : A 95 LYS NZ :NH3+ 157:sc= -0.0238 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.258 14.972 -26.416 1.00 0.00 N ATOM 2 CA ALA A 2 -1.138 14.064 -26.789 1.00 0.00 C ATOM 3 C ALA A 2 -0.904 13.075 -25.660 1.00 0.00 C ATOM 4 O ALA A 2 -0.460 11.951 -25.889 1.00 0.00 O ATOM 5 CB ALA A 2 0.128 14.892 -27.032 1.00 0.00 C ATOM 0 HA ALA A 2 -1.387 13.520 -27.700 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.949 14.229 -27.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.051 15.601 -27.840 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.387 15.436 -26.123 1.00 0.00 H new ATOM 13 N LEU A 3 -1.191 13.500 -24.439 1.00 0.00 N ATOM 14 CA LEU A 3 -0.985 12.635 -23.287 1.00 0.00 C ATOM 15 C LEU A 3 -1.887 11.404 -23.376 1.00 0.00 C ATOM 16 O LEU A 3 -1.444 10.272 -23.188 1.00 0.00 O ATOM 17 CB LEU A 3 -1.288 13.414 -21.990 1.00 0.00 C ATOM 18 CG LEU A 3 -0.428 12.872 -20.832 1.00 0.00 C ATOM 19 CD1 LEU A 3 -0.641 11.354 -20.688 1.00 0.00 C ATOM 20 CD2 LEU A 3 1.074 13.180 -21.098 1.00 0.00 C ATOM 0 H LEU A 3 -1.562 14.425 -24.221 1.00 0.00 H new ATOM 0 HA LEU A 3 0.054 12.306 -23.277 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.085 14.475 -22.138 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.345 13.323 -21.741 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.729 13.360 -19.905 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.030 10.977 -19.868 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.692 11.152 -20.480 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.352 10.857 -21.614 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.676 12.794 -20.275 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.384 12.704 -22.029 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.216 14.258 -21.177 1.00 0.00 H new ATOM 32 N GLN A 4 -3.159 11.636 -23.662 1.00 0.00 N ATOM 33 CA GLN A 4 -4.119 10.542 -23.762 1.00 0.00 C ATOM 34 C GLN A 4 -3.903 9.535 -22.626 1.00 0.00 C ATOM 35 O GLN A 4 -4.445 9.688 -21.530 1.00 0.00 O ATOM 36 CB GLN A 4 -3.965 9.842 -25.126 1.00 0.00 C ATOM 37 CG GLN A 4 -4.862 10.522 -26.164 1.00 0.00 C ATOM 38 CD GLN A 4 -4.480 11.992 -26.295 1.00 0.00 C ATOM 39 OE1 GLN A 4 -3.298 12.322 -26.348 1.00 0.00 O ATOM 40 NE2 GLN A 4 -5.416 12.897 -26.348 1.00 0.00 N ATOM 0 H GLN A 4 -3.550 12.563 -23.828 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.127 10.947 -23.677 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.925 9.881 -25.450 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.231 8.789 -25.036 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.760 10.023 -27.128 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.907 10.434 -25.868 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.397 12.620 -26.304 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.168 13.883 -26.434 1.00 0.00 H new ATOM 49 N ASN A 5 -3.112 8.506 -22.906 1.00 0.00 N ATOM 50 CA ASN A 5 -2.833 7.477 -21.914 1.00 0.00 C ATOM 51 C ASN A 5 -1.587 6.684 -22.294 1.00 0.00 C ATOM 52 O ASN A 5 -1.678 5.610 -22.887 1.00 0.00 O ATOM 53 CB ASN A 5 -4.029 6.531 -21.800 1.00 0.00 C ATOM 54 CG ASN A 5 -4.487 6.098 -23.189 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.818 5.301 -23.846 1.00 0.00 O ATOM 56 ND2 ASN A 5 -5.596 6.580 -23.679 1.00 0.00 N ATOM 0 H ASN A 5 -2.655 8.363 -23.807 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.657 7.962 -20.954 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.756 5.657 -21.209 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.847 7.027 -21.277 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.909 6.296 -24.607 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.150 7.241 -23.134 1.00 0.00 H new ATOM 63 N LYS A 6 -0.421 7.219 -21.946 1.00 0.00 N ATOM 64 CA LYS A 6 0.842 6.553 -22.251 1.00 0.00 C ATOM 65 C LYS A 6 1.146 5.478 -21.213 1.00 0.00 C ATOM 66 O LYS A 6 2.072 4.684 -21.381 1.00 0.00 O ATOM 67 CB LYS A 6 1.973 7.582 -22.279 1.00 0.00 C ATOM 68 CG LYS A 6 2.127 8.214 -20.894 1.00 0.00 C ATOM 69 CD LYS A 6 3.143 9.355 -20.965 1.00 0.00 C ATOM 70 CE LYS A 6 3.257 10.020 -19.592 1.00 0.00 C ATOM 71 NZ LYS A 6 3.773 9.035 -18.602 1.00 0.00 N ATOM 0 H LYS A 6 -0.324 8.108 -21.455 1.00 0.00 H new ATOM 0 HA LYS A 6 0.759 6.077 -23.228 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.906 7.104 -22.577 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.759 8.353 -23.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.165 8.590 -20.545 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.456 7.464 -20.175 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.115 8.973 -21.278 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.833 10.087 -21.711 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.925 10.879 -19.647 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.283 10.393 -19.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.167 9.540 -17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.996 8.419 -18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.517 8.457 -19.043 1.00 0.00 H new ATOM 85 N GLU A 7 0.360 5.458 -20.144 1.00 0.00 N ATOM 86 CA GLU A 7 0.552 4.475 -19.083 1.00 0.00 C ATOM 87 C GLU A 7 0.281 3.065 -19.602 1.00 0.00 C ATOM 88 O GLU A 7 0.899 2.099 -19.153 1.00 0.00 O ATOM 89 CB GLU A 7 -0.383 4.781 -17.912 1.00 0.00 C ATOM 90 CG GLU A 7 -1.841 4.676 -18.371 1.00 0.00 C ATOM 91 CD GLU A 7 -2.775 5.063 -17.233 1.00 0.00 C ATOM 92 OE1 GLU A 7 -2.451 4.762 -16.096 1.00 0.00 O ATOM 93 OE2 GLU A 7 -3.803 5.658 -17.511 1.00 0.00 O ATOM 0 H GLU A 7 -0.412 6.106 -19.988 1.00 0.00 H new ATOM 0 HA GLU A 7 1.586 4.531 -18.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.198 4.083 -17.095 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.184 5.781 -17.528 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.009 5.328 -19.228 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.055 3.659 -18.698 1.00 0.00 H new ATOM 100 N GLU A 8 -0.648 2.958 -20.546 1.00 0.00 N ATOM 101 CA GLU A 8 -0.997 1.662 -21.113 1.00 0.00 C ATOM 102 C GLU A 8 0.244 0.975 -21.668 1.00 0.00 C ATOM 103 O GLU A 8 0.382 -0.245 -21.579 1.00 0.00 O ATOM 104 CB GLU A 8 -2.030 1.841 -22.229 1.00 0.00 C ATOM 105 CG GLU A 8 -2.457 0.470 -22.758 1.00 0.00 C ATOM 106 CD GLU A 8 -3.559 0.633 -23.800 1.00 0.00 C ATOM 107 OE1 GLU A 8 -3.766 1.749 -24.245 1.00 0.00 O ATOM 108 OE2 GLU A 8 -4.183 -0.361 -24.133 1.00 0.00 O ATOM 0 H GLU A 8 -1.168 3.746 -20.931 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.422 1.040 -20.325 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.897 2.383 -21.852 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.608 2.438 -23.037 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.601 -0.042 -23.199 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.811 -0.152 -21.936 1.00 0.00 H new ATOM 115 N GLU A 9 1.144 1.763 -22.240 1.00 0.00 N ATOM 116 CA GLU A 9 2.371 1.216 -22.806 1.00 0.00 C ATOM 117 C GLU A 9 3.263 0.655 -21.702 1.00 0.00 C ATOM 118 O GLU A 9 3.941 -0.356 -21.893 1.00 0.00 O ATOM 119 CB GLU A 9 3.125 2.304 -23.581 1.00 0.00 C ATOM 120 CG GLU A 9 4.134 1.661 -24.541 1.00 0.00 C ATOM 121 CD GLU A 9 5.251 0.989 -23.748 1.00 0.00 C ATOM 122 OE1 GLU A 9 5.616 1.521 -22.712 1.00 0.00 O ATOM 123 OE2 GLU A 9 5.720 -0.048 -24.186 1.00 0.00 O ATOM 0 H GLU A 9 1.050 2.775 -22.325 1.00 0.00 H new ATOM 0 HA GLU A 9 2.107 0.409 -23.489 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.420 2.919 -24.140 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.642 2.965 -22.886 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.632 0.927 -25.172 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.552 2.419 -25.204 1.00 0.00 H new ATOM 130 N LYS A 10 3.261 1.318 -20.551 1.00 0.00 N ATOM 131 CA LYS A 10 4.078 0.878 -19.427 1.00 0.00 C ATOM 132 C LYS A 10 3.457 -0.344 -18.759 1.00 0.00 C ATOM 133 O LYS A 10 4.097 -1.011 -17.945 1.00 0.00 O ATOM 134 CB LYS A 10 4.211 2.008 -18.405 1.00 0.00 C ATOM 135 CG LYS A 10 5.047 3.142 -18.999 1.00 0.00 C ATOM 136 CD LYS A 10 5.169 4.275 -17.979 1.00 0.00 C ATOM 137 CE LYS A 10 5.980 5.423 -18.584 1.00 0.00 C ATOM 138 NZ LYS A 10 6.097 6.526 -17.590 1.00 0.00 N ATOM 0 H LYS A 10 2.707 2.156 -20.372 1.00 0.00 H new ATOM 0 HA LYS A 10 5.065 0.610 -19.803 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.224 2.378 -18.126 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.680 1.635 -17.495 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.037 2.775 -19.270 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.582 3.510 -19.913 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.179 4.628 -17.692 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.654 3.912 -17.073 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.971 5.071 -18.871 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.496 5.786 -19.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.648 7.306 -18.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.148 6.868 -17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.577 6.175 -16.737 1.00 0.00 H new ATOM 152 N LYS A 11 2.210 -0.630 -19.107 1.00 0.00 N ATOM 153 CA LYS A 11 1.511 -1.774 -18.533 1.00 0.00 C ATOM 154 C LYS A 11 2.227 -3.072 -18.888 1.00 0.00 C ATOM 155 O LYS A 11 2.264 -4.009 -18.094 1.00 0.00 O ATOM 156 CB LYS A 11 0.076 -1.821 -19.057 1.00 0.00 C ATOM 157 CG LYS A 11 -0.709 -2.891 -18.295 1.00 0.00 C ATOM 158 CD LYS A 11 -2.183 -2.849 -18.719 1.00 0.00 C ATOM 159 CE LYS A 11 -2.342 -3.410 -20.138 1.00 0.00 C ATOM 160 NZ LYS A 11 -3.774 -3.736 -20.384 1.00 0.00 N ATOM 0 H LYS A 11 1.664 -0.091 -19.779 1.00 0.00 H new ATOM 0 HA LYS A 11 1.500 -1.665 -17.449 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.400 -0.848 -18.933 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.074 -2.044 -20.124 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.290 -3.877 -18.497 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.624 -2.723 -17.221 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.786 -3.429 -18.021 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.551 -1.824 -18.682 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.993 -2.682 -20.870 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.729 -4.303 -20.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.883 -4.116 -21.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.092 -4.445 -19.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.348 -2.874 -20.285 1.00 0.00 H new ATOM 174 N LYS A 12 2.794 -3.118 -20.088 1.00 0.00 N ATOM 175 CA LYS A 12 3.506 -4.307 -20.544 1.00 0.00 C ATOM 176 C LYS A 12 4.710 -4.584 -19.653 1.00 0.00 C ATOM 177 O LYS A 12 5.000 -5.733 -19.327 1.00 0.00 O ATOM 178 CB LYS A 12 3.970 -4.122 -21.997 1.00 0.00 C ATOM 179 CG LYS A 12 2.812 -4.390 -22.962 1.00 0.00 C ATOM 180 CD LYS A 12 1.705 -3.357 -22.743 1.00 0.00 C ATOM 181 CE LYS A 12 0.669 -3.480 -23.856 1.00 0.00 C ATOM 182 NZ LYS A 12 -0.405 -2.470 -23.638 1.00 0.00 N ATOM 0 H LYS A 12 2.775 -2.351 -20.760 1.00 0.00 H new ATOM 0 HA LYS A 12 2.825 -5.156 -20.490 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.345 -3.108 -22.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.796 -4.800 -22.212 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.167 -4.344 -23.992 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.421 -5.395 -22.805 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.233 -3.514 -21.773 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.127 -2.352 -22.734 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.140 -3.324 -24.827 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.245 -4.484 -23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.263 -2.945 -23.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.088 -1.773 -22.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.614 -1.987 -24.535 1.00 0.00 H new ATOM 196 N VAL A 13 5.409 -3.524 -19.261 1.00 0.00 N ATOM 197 CA VAL A 13 6.586 -3.669 -18.407 1.00 0.00 C ATOM 198 C VAL A 13 6.221 -3.367 -16.959 1.00 0.00 C ATOM 199 O VAL A 13 5.598 -2.348 -16.665 1.00 0.00 O ATOM 200 CB VAL A 13 7.682 -2.706 -18.867 1.00 0.00 C ATOM 201 CG1 VAL A 13 8.851 -2.751 -17.879 1.00 0.00 C ATOM 202 CG2 VAL A 13 8.171 -3.121 -20.257 1.00 0.00 C ATOM 0 H VAL A 13 5.185 -2.562 -19.517 1.00 0.00 H new ATOM 0 HA VAL A 13 6.949 -4.694 -18.479 1.00 0.00 H new ATOM 0 HB VAL A 13 7.283 -1.693 -18.908 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.632 -2.065 -18.207 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.502 -2.457 -16.889 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.253 -3.763 -17.836 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.952 -2.436 -20.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.571 -4.134 -20.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.339 -3.088 -20.960 1.00 0.00 H new ATOM 212 N LYS A 14 6.613 -4.266 -16.059 1.00 0.00 N ATOM 213 CA LYS A 14 6.326 -4.100 -14.635 1.00 0.00 C ATOM 214 C LYS A 14 7.545 -4.471 -13.803 1.00 0.00 C ATOM 215 O LYS A 14 8.175 -5.502 -14.035 1.00 0.00 O ATOM 216 CB LYS A 14 5.146 -4.985 -14.235 1.00 0.00 C ATOM 217 CG LYS A 14 4.803 -4.745 -12.764 1.00 0.00 C ATOM 218 CD LYS A 14 3.577 -5.571 -12.382 1.00 0.00 C ATOM 219 CE LYS A 14 3.228 -5.316 -10.916 1.00 0.00 C ATOM 220 NZ LYS A 14 2.013 -6.096 -10.553 1.00 0.00 N ATOM 0 H LYS A 14 7.129 -5.115 -16.289 1.00 0.00 H new ATOM 0 HA LYS A 14 6.075 -3.056 -14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.282 -4.763 -14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.394 -6.034 -14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.649 -5.019 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.608 -3.686 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.733 -5.306 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.775 -6.631 -12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.063 -5.604 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.053 -4.253 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.775 -5.923 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.218 -5.801 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.196 -7.110 -10.694 1.00 0.00 H new ATOM 234 N LYS A 15 7.872 -3.624 -12.831 1.00 0.00 N ATOM 235 CA LYS A 15 9.024 -3.867 -11.962 1.00 0.00 C ATOM 236 C LYS A 15 8.711 -3.437 -10.534 1.00 0.00 C ATOM 237 O LYS A 15 8.060 -4.163 -9.785 1.00 0.00 O ATOM 238 CB LYS A 15 10.240 -3.094 -12.479 1.00 0.00 C ATOM 239 CG LYS A 15 10.700 -3.700 -13.806 1.00 0.00 C ATOM 240 CD LYS A 15 11.913 -2.927 -14.328 1.00 0.00 C ATOM 241 CE LYS A 15 12.374 -3.538 -15.652 1.00 0.00 C ATOM 242 NZ LYS A 15 13.557 -2.786 -16.158 1.00 0.00 N ATOM 0 H LYS A 15 7.360 -2.767 -12.624 1.00 0.00 H new ATOM 0 HA LYS A 15 9.246 -4.934 -11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.986 -2.043 -12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.048 -3.134 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.957 -4.750 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.890 -3.662 -14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.656 -1.877 -14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.722 -2.961 -13.598 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.630 -4.588 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.566 -3.502 -16.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.872 -3.200 -17.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.298 -1.790 -16.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.328 -2.843 -15.462 1.00 0.00 H new ATOM 256 N LEU A 16 9.180 -2.252 -10.167 1.00 0.00 N ATOM 257 CA LEU A 16 8.944 -1.728 -8.828 1.00 0.00 C ATOM 258 C LEU A 16 9.210 -2.800 -7.784 1.00 0.00 C ATOM 259 O LEU A 16 9.702 -3.883 -8.107 1.00 0.00 O ATOM 260 CB LEU A 16 7.500 -1.233 -8.704 1.00 0.00 C ATOM 261 CG LEU A 16 7.339 0.100 -9.456 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.167 1.220 -8.778 1.00 0.00 C ATOM 263 CD2 LEU A 16 7.795 -0.077 -10.912 1.00 0.00 C ATOM 0 H LEU A 16 9.723 -1.638 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 16 9.625 -0.894 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.815 -1.976 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.240 -1.102 -7.654 1.00 0.00 H new ATOM 0 HG LEU A 16 6.289 0.390 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.037 2.152 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.826 1.354 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.221 0.943 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.682 0.866 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.842 -0.381 -10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.186 -0.842 -11.394 1.00 0.00 H new ATOM 275 N GLN A 17 8.885 -2.493 -6.529 1.00 0.00 N ATOM 276 CA GLN A 17 9.094 -3.442 -5.438 1.00 0.00 C ATOM 277 C GLN A 17 7.808 -3.621 -4.642 1.00 0.00 C ATOM 278 O GLN A 17 7.361 -2.707 -3.952 1.00 0.00 O ATOM 279 CB GLN A 17 10.204 -2.936 -4.512 1.00 0.00 C ATOM 280 CG GLN A 17 10.546 -4.011 -3.477 1.00 0.00 C ATOM 281 CD GLN A 17 11.195 -5.208 -4.167 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.021 -5.035 -5.062 1.00 0.00 O ATOM 283 NE2 GLN A 17 10.860 -6.417 -3.808 1.00 0.00 N ATOM 0 H GLN A 17 8.479 -1.602 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 17 9.387 -4.403 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.090 -2.684 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.883 -2.023 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.222 -3.603 -2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.642 -4.327 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.175 -6.557 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.283 -7.222 -4.270 1.00 0.00 H new ATOM 292 N LYS A 18 7.223 -4.807 -4.747 1.00 0.00 N ATOM 293 CA LYS A 18 5.991 -5.099 -4.030 1.00 0.00 C ATOM 294 C LYS A 18 6.292 -5.430 -2.574 1.00 0.00 C ATOM 295 O LYS A 18 7.242 -6.154 -2.277 1.00 0.00 O ATOM 296 CB LYS A 18 5.287 -6.288 -4.676 1.00 0.00 C ATOM 297 CG LYS A 18 4.859 -5.916 -6.097 1.00 0.00 C ATOM 298 CD LYS A 18 4.226 -7.131 -6.797 1.00 0.00 C ATOM 299 CE LYS A 18 2.755 -7.272 -6.387 1.00 0.00 C ATOM 300 NZ LYS A 18 2.031 -6.012 -6.718 1.00 0.00 N ATOM 0 H LYS A 18 7.578 -5.575 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 18 5.348 -4.220 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.953 -7.150 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.417 -6.574 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.145 -5.093 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.722 -5.569 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.300 -7.016 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.773 -8.037 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.299 -8.115 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.681 -7.478 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.023 -6.220 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.133 -5.337 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.431 -5.599 -7.585 1.00 0.00 H new ATOM 314 N SER A 19 5.477 -4.900 -1.670 1.00 0.00 N ATOM 315 CA SER A 19 5.658 -5.144 -0.240 1.00 0.00 C ATOM 316 C SER A 19 4.310 -5.161 0.467 1.00 0.00 C ATOM 317 O SER A 19 3.405 -4.408 0.113 1.00 0.00 O ATOM 318 CB SER A 19 6.545 -4.056 0.364 1.00 0.00 C ATOM 319 OG SER A 19 6.406 -4.067 1.778 1.00 0.00 O ATOM 0 H SER A 19 4.685 -4.299 -1.899 1.00 0.00 H new ATOM 0 HA SER A 19 6.137 -6.114 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.586 -4.225 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.264 -3.080 -0.033 1.00 0.00 H new ATOM 0 HG SER A 19 6.087 -3.192 2.082 1.00 0.00 H new ATOM 325 N TYR A 20 4.182 -6.027 1.472 1.00 0.00 N ATOM 326 CA TYR A 20 2.935 -6.137 2.229 1.00 0.00 C ATOM 327 C TYR A 20 3.090 -5.479 3.591 1.00 0.00 C ATOM 328 O TYR A 20 4.050 -5.747 4.312 1.00 0.00 O ATOM 329 CB TYR A 20 2.573 -7.609 2.417 1.00 0.00 C ATOM 330 CG TYR A 20 2.423 -8.265 1.061 1.00 0.00 C ATOM 331 CD1 TYR A 20 1.415 -7.843 0.183 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.290 -9.301 0.681 1.00 0.00 C ATOM 333 CE1 TYR A 20 1.278 -8.451 -1.070 1.00 0.00 C ATOM 334 CE2 TYR A 20 3.151 -9.906 -0.574 1.00 0.00 C ATOM 335 CZ TYR A 20 2.144 -9.482 -1.448 1.00 0.00 C ATOM 336 OH TYR A 20 2.007 -10.080 -2.684 1.00 0.00 O ATOM 0 H TYR A 20 4.921 -6.659 1.780 1.00 0.00 H new ATOM 0 HA TYR A 20 2.143 -5.634 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.347 -8.115 2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.645 -7.698 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.744 -7.048 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.065 -9.632 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.502 -8.123 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.821 -10.700 -0.868 1.00 0.00 H new ATOM 0 HH TYR A 20 2.689 -10.776 -2.788 1.00 0.00 H new ATOM 346 N PHE A 21 2.138 -4.615 3.935 1.00 0.00 N ATOM 347 CA PHE A 21 2.163 -3.912 5.219 1.00 0.00 C ATOM 348 C PHE A 21 1.002 -4.366 6.096 1.00 0.00 C ATOM 349 O PHE A 21 -0.162 -4.162 5.753 1.00 0.00 O ATOM 350 CB PHE A 21 2.059 -2.405 4.982 1.00 0.00 C ATOM 351 CG PHE A 21 3.284 -1.937 4.233 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.389 -2.170 2.859 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.312 -1.265 4.910 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.520 -1.733 2.160 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.444 -0.829 4.209 1.00 0.00 C ATOM 356 CZ PHE A 21 5.546 -1.062 2.833 1.00 0.00 C ATOM 0 H PHE A 21 1.339 -4.384 3.344 1.00 0.00 H new ATOM 0 HA PHE A 21 3.101 -4.142 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.159 -2.175 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.976 -1.880 5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.598 -2.687 2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.231 -1.084 5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.601 -1.914 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.237 -0.314 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.417 -0.724 2.291 1.00 0.00 H new ATOM 366 N ASP A 22 1.328 -4.974 7.231 1.00 0.00 N ATOM 367 CA ASP A 22 0.307 -5.449 8.162 1.00 0.00 C ATOM 368 C ASP A 22 0.128 -4.445 9.291 1.00 0.00 C ATOM 369 O ASP A 22 1.001 -4.305 10.147 1.00 0.00 O ATOM 370 CB ASP A 22 0.723 -6.800 8.748 1.00 0.00 C ATOM 371 CG ASP A 22 0.628 -7.878 7.674 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.004 -7.619 6.658 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.179 -8.945 7.883 1.00 0.00 O ATOM 0 H ASP A 22 2.287 -5.150 7.529 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.634 -5.562 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.742 -6.743 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.080 -7.055 9.591 1.00 0.00 H new ATOM 378 N VAL A 23 -1.007 -3.746 9.285 1.00 0.00 N ATOM 379 CA VAL A 23 -1.297 -2.745 10.315 1.00 0.00 C ATOM 380 C VAL A 23 -2.581 -3.103 11.048 1.00 0.00 C ATOM 381 O VAL A 23 -3.607 -3.379 10.428 1.00 0.00 O ATOM 382 CB VAL A 23 -1.444 -1.360 9.674 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.508 -1.411 8.571 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.862 -0.347 10.742 1.00 0.00 C ATOM 0 H VAL A 23 -1.739 -3.853 8.582 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.471 -2.728 11.026 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.490 -1.059 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.610 -0.425 8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.209 -2.131 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.463 -1.713 9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.967 0.638 10.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.815 -0.649 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.103 -0.307 11.523 1.00 0.00 H new ATOM 394 N LEU A 24 -2.512 -3.101 12.375 1.00 0.00 N ATOM 395 CA LEU A 24 -3.674 -3.432 13.202 1.00 0.00 C ATOM 396 C LEU A 24 -4.286 -2.167 13.790 1.00 0.00 C ATOM 397 O LEU A 24 -5.292 -2.223 14.494 1.00 0.00 O ATOM 398 CB LEU A 24 -3.258 -4.373 14.333 1.00 0.00 C ATOM 399 CG LEU A 24 -2.619 -5.636 13.741 1.00 0.00 C ATOM 400 CD1 LEU A 24 -2.128 -6.535 14.878 1.00 0.00 C ATOM 401 CD2 LEU A 24 -3.645 -6.400 12.877 1.00 0.00 C ATOM 0 H LEU A 24 -1.669 -2.875 12.902 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.417 -3.925 12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.552 -3.872 14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.126 -4.640 14.935 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.777 -5.349 13.111 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.673 -7.434 14.461 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.390 -5.998 15.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.971 -6.815 15.510 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.178 -7.294 12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.497 -6.688 13.493 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.985 -5.759 12.064 1.00 0.00 H new ATOM 413 N GLY A 25 -3.672 -1.026 13.490 1.00 0.00 N ATOM 414 CA GLY A 25 -4.164 0.255 13.989 1.00 0.00 C ATOM 415 C GLY A 25 -5.191 0.854 13.035 1.00 0.00 C ATOM 416 O GLY A 25 -5.463 2.053 13.076 1.00 0.00 O ATOM 0 H GLY A 25 -2.837 -0.962 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.613 0.118 14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.330 0.946 14.112 1.00 0.00 H new ATOM 420 N ILE A 26 -5.758 0.010 12.177 1.00 0.00 N ATOM 421 CA ILE A 26 -6.758 0.467 11.216 1.00 0.00 C ATOM 422 C ILE A 26 -8.134 0.515 11.866 1.00 0.00 C ATOM 423 O ILE A 26 -8.561 -0.445 12.506 1.00 0.00 O ATOM 424 CB ILE A 26 -6.795 -0.476 10.012 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.823 0.035 9.000 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.187 -1.883 10.471 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.682 -0.742 7.691 1.00 0.00 C ATOM 0 H ILE A 26 -5.545 -0.986 12.127 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.487 1.469 10.883 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.809 -0.510 9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.831 -0.083 9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.674 1.100 8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.212 -2.552 9.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.456 -2.247 11.193 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.172 -1.853 10.936 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.414 -0.377 6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.678 -0.601 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.853 -1.802 7.877 1.00 0.00 H new ATOM 439 N CYS A 27 -8.826 1.641 11.702 1.00 0.00 N ATOM 440 CA CYS A 27 -10.164 1.817 12.279 1.00 0.00 C ATOM 441 C CYS A 27 -11.215 1.908 11.182 1.00 0.00 C ATOM 442 O CYS A 27 -11.065 2.672 10.229 1.00 0.00 O ATOM 443 CB CYS A 27 -10.202 3.096 13.120 1.00 0.00 C ATOM 444 SG CYS A 27 -11.921 3.541 13.486 1.00 0.00 S ATOM 0 H CYS A 27 -8.486 2.446 11.176 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.383 0.954 12.908 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.650 2.948 14.048 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.713 3.909 12.584 1.00 0.00 H new ATOM 449 N CYS A 28 -12.281 1.126 11.332 1.00 0.00 N ATOM 450 CA CYS A 28 -13.368 1.123 10.358 1.00 0.00 C ATOM 451 C CYS A 28 -12.817 1.197 8.937 1.00 0.00 C ATOM 452 O CYS A 28 -11.630 0.969 8.708 1.00 0.00 O ATOM 453 CB CYS A 28 -14.290 2.316 10.623 1.00 0.00 C ATOM 454 SG CYS A 28 -13.486 3.840 10.068 1.00 0.00 S ATOM 0 H CYS A 28 -12.415 0.488 12.117 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.931 0.195 10.460 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.236 2.181 10.099 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.521 2.381 11.686 1.00 0.00 H new ATOM 459 N THR A 29 -13.687 1.517 7.982 1.00 0.00 N ATOM 460 CA THR A 29 -13.285 1.624 6.582 1.00 0.00 C ATOM 461 C THR A 29 -13.287 3.085 6.136 1.00 0.00 C ATOM 462 O THR A 29 -12.776 3.418 5.068 1.00 0.00 O ATOM 463 CB THR A 29 -14.242 0.819 5.705 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.288 -0.523 6.169 1.00 0.00 O ATOM 465 CG2 THR A 29 -13.751 0.844 4.257 1.00 0.00 C ATOM 0 H THR A 29 -14.675 1.707 8.152 1.00 0.00 H new ATOM 0 HA THR A 29 -12.276 1.226 6.479 1.00 0.00 H new ATOM 0 HB THR A 29 -15.239 1.256 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.903 -1.042 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.434 0.269 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.714 1.874 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.754 0.406 4.203 1.00 0.00 H new ATOM 473 N SER A 30 -13.864 3.951 6.963 1.00 0.00 N ATOM 474 CA SER A 30 -13.926 5.373 6.640 1.00 0.00 C ATOM 475 C SER A 30 -12.530 5.987 6.646 1.00 0.00 C ATOM 476 O SER A 30 -12.333 7.098 6.159 1.00 0.00 O ATOM 477 CB SER A 30 -14.807 6.105 7.651 1.00 0.00 C ATOM 478 OG SER A 30 -14.120 6.198 8.892 1.00 0.00 O ATOM 0 H SER A 30 -14.292 3.697 7.854 1.00 0.00 H new ATOM 0 HA SER A 30 -14.354 5.477 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.053 7.101 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.749 5.573 7.783 1.00 0.00 H new ATOM 0 HG SER A 30 -13.424 5.509 8.933 1.00 0.00 H new ATOM 484 N GLU A 31 -11.569 5.259 7.214 1.00 0.00 N ATOM 485 CA GLU A 31 -10.186 5.738 7.290 1.00 0.00 C ATOM 486 C GLU A 31 -9.447 5.424 5.993 1.00 0.00 C ATOM 487 O GLU A 31 -8.305 5.840 5.803 1.00 0.00 O ATOM 488 CB GLU A 31 -9.464 5.082 8.486 1.00 0.00 C ATOM 489 CG GLU A 31 -9.508 6.004 9.709 1.00 0.00 C ATOM 490 CD GLU A 31 -10.949 6.239 10.139 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.775 6.480 9.273 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.208 6.177 11.327 1.00 0.00 O ATOM 0 H GLU A 31 -11.720 4.339 7.627 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.196 6.818 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.935 4.128 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.429 4.868 8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.944 5.559 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.031 6.956 9.473 1.00 0.00 H new ATOM 499 N VAL A 32 -10.108 4.709 5.099 1.00 0.00 N ATOM 500 CA VAL A 32 -9.504 4.376 3.821 1.00 0.00 C ATOM 501 C VAL A 32 -8.905 5.636 3.178 1.00 0.00 C ATOM 502 O VAL A 32 -7.716 5.659 2.853 1.00 0.00 O ATOM 503 CB VAL A 32 -10.565 3.749 2.880 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.186 3.971 1.405 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.666 2.249 3.151 1.00 0.00 C ATOM 0 H VAL A 32 -11.054 4.351 5.232 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.706 3.651 3.984 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.524 4.230 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.944 3.523 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.125 5.040 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.220 3.507 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.412 1.809 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.699 1.781 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.960 2.086 4.188 1.00 0.00 H new ATOM 515 N PRO A 33 -9.700 6.667 2.973 1.00 0.00 N ATOM 516 CA PRO A 33 -9.231 7.928 2.333 1.00 0.00 C ATOM 517 C PRO A 33 -8.023 8.518 3.056 1.00 0.00 C ATOM 518 O PRO A 33 -7.072 8.982 2.424 1.00 0.00 O ATOM 519 CB PRO A 33 -10.464 8.865 2.422 1.00 0.00 C ATOM 520 CG PRO A 33 -11.359 8.244 3.445 1.00 0.00 C ATOM 521 CD PRO A 33 -11.130 6.756 3.316 1.00 0.00 C ATOM 0 HA PRO A 33 -8.892 7.774 1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.171 9.873 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.966 8.947 1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.115 8.595 4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.403 8.500 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.355 6.231 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.759 6.317 2.541 1.00 0.00 H new ATOM 529 N ILE A 34 -8.072 8.493 4.380 1.00 0.00 N ATOM 530 CA ILE A 34 -6.983 9.029 5.181 1.00 0.00 C ATOM 531 C ILE A 34 -5.712 8.219 4.960 1.00 0.00 C ATOM 532 O ILE A 34 -4.625 8.780 4.815 1.00 0.00 O ATOM 533 CB ILE A 34 -7.362 9.009 6.665 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.494 10.008 6.915 1.00 0.00 C ATOM 535 CG2 ILE A 34 -6.145 9.400 7.512 1.00 0.00 C ATOM 536 CD1 ILE A 34 -9.069 9.790 8.317 1.00 0.00 C ATOM 0 H ILE A 34 -8.849 8.110 4.919 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.801 10.059 4.873 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.690 8.007 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.121 11.028 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.276 9.882 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.416 9.385 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.336 8.691 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.816 10.402 7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.875 10.502 8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.457 8.775 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.284 9.938 9.059 1.00 0.00 H new ATOM 548 N ILE A 35 -5.854 6.899 4.938 1.00 0.00 N ATOM 549 CA ILE A 35 -4.708 6.024 4.741 1.00 0.00 C ATOM 550 C ILE A 35 -4.083 6.264 3.373 1.00 0.00 C ATOM 551 O ILE A 35 -2.865 6.359 3.249 1.00 0.00 O ATOM 552 CB ILE A 35 -5.146 4.560 4.855 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.564 4.264 6.299 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.985 3.639 4.464 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.285 2.915 6.351 1.00 0.00 C ATOM 0 H ILE A 35 -6.745 6.415 5.053 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.967 6.244 5.510 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.988 4.384 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.688 4.246 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.218 5.053 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.302 2.599 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.686 3.847 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.141 3.815 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.584 2.701 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.170 2.951 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.616 2.131 5.997 1.00 0.00 H new ATOM 567 N GLU A 36 -4.923 6.367 2.352 1.00 0.00 N ATOM 568 CA GLU A 36 -4.436 6.593 0.999 1.00 0.00 C ATOM 569 C GLU A 36 -3.767 7.958 0.895 1.00 0.00 C ATOM 570 O GLU A 36 -2.802 8.130 0.154 1.00 0.00 O ATOM 571 CB GLU A 36 -5.595 6.516 0.007 1.00 0.00 C ATOM 572 CG GLU A 36 -6.141 5.085 -0.031 1.00 0.00 C ATOM 573 CD GLU A 36 -7.337 5.011 -0.973 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.712 6.042 -1.508 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.865 3.924 -1.145 1.00 0.00 O ATOM 0 H GLU A 36 -5.937 6.298 2.434 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.704 5.821 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.384 7.210 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.258 6.815 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.362 4.398 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.436 4.772 0.971 1.00 0.00 H new ATOM 582 N ASN A 37 -4.290 8.923 1.641 1.00 0.00 N ATOM 583 CA ASN A 37 -3.740 10.275 1.624 1.00 0.00 C ATOM 584 C ASN A 37 -2.286 10.273 2.081 1.00 0.00 C ATOM 585 O ASN A 37 -1.454 11.003 1.541 1.00 0.00 O ATOM 586 CB ASN A 37 -4.559 11.185 2.540 1.00 0.00 C ATOM 587 CG ASN A 37 -3.981 12.597 2.526 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.131 12.911 1.691 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.392 13.470 3.405 1.00 0.00 N ATOM 0 H ASN A 37 -5.089 8.797 2.262 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.787 10.648 0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.598 11.205 2.211 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.554 10.791 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.009 14.416 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.096 13.207 4.095 1.00 0.00 H new ATOM 596 N ILE A 38 -1.983 9.453 3.080 1.00 0.00 N ATOM 597 CA ILE A 38 -0.623 9.371 3.600 1.00 0.00 C ATOM 598 C ILE A 38 0.336 8.875 2.519 1.00 0.00 C ATOM 599 O ILE A 38 1.428 9.415 2.351 1.00 0.00 O ATOM 600 CB ILE A 38 -0.584 8.421 4.802 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.358 9.044 5.969 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.870 8.181 5.224 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.591 7.986 7.048 1.00 0.00 C ATOM 0 H ILE A 38 -2.654 8.840 3.543 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.310 10.367 3.914 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.041 7.471 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.800 9.884 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.312 9.437 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.894 7.505 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.421 7.737 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.330 9.130 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.141 8.428 7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.167 7.160 6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.631 7.614 7.406 1.00 0.00 H new ATOM 615 N LEU A 39 -0.081 7.849 1.791 1.00 0.00 N ATOM 616 CA LEU A 39 0.751 7.292 0.727 1.00 0.00 C ATOM 617 C LEU A 39 0.983 8.328 -0.370 1.00 0.00 C ATOM 618 O LEU A 39 2.082 8.431 -0.918 1.00 0.00 O ATOM 619 CB LEU A 39 0.081 6.038 0.137 1.00 0.00 C ATOM 620 CG LEU A 39 0.469 4.802 0.955 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.066 5.002 2.413 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.249 3.580 0.388 1.00 0.00 C ATOM 0 H LEU A 39 -0.982 7.387 1.914 1.00 0.00 H new ATOM 0 HA LEU A 39 1.716 7.014 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.002 6.160 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.386 5.907 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 39 1.547 4.652 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.344 4.121 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.578 5.876 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.012 5.152 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.023 2.697 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.327 3.733 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.043 3.437 -0.652 1.00 0.00 H new ATOM 634 N LYS A 40 -0.054 9.087 -0.686 1.00 0.00 N ATOM 635 CA LYS A 40 0.051 10.105 -1.722 1.00 0.00 C ATOM 636 C LYS A 40 1.158 11.097 -1.387 1.00 0.00 C ATOM 637 O LYS A 40 1.892 11.540 -2.269 1.00 0.00 O ATOM 638 CB LYS A 40 -1.280 10.846 -1.866 1.00 0.00 C ATOM 639 CG LYS A 40 -2.309 9.934 -2.539 1.00 0.00 C ATOM 640 CD LYS A 40 -3.641 10.677 -2.669 1.00 0.00 C ATOM 641 CE LYS A 40 -4.674 9.764 -3.330 1.00 0.00 C ATOM 642 NZ LYS A 40 -5.971 10.485 -3.446 1.00 0.00 N ATOM 0 H LYS A 40 -0.971 9.020 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 40 0.294 9.614 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.642 11.157 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.141 11.751 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.953 9.630 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.443 9.025 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.993 10.989 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.508 11.582 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.326 9.458 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.802 8.856 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.674 9.864 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.304 10.756 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.843 11.339 -4.025 1.00 0.00 H new ATOM 656 N SER A 41 1.276 11.437 -0.111 1.00 0.00 N ATOM 657 CA SER A 41 2.304 12.373 0.325 1.00 0.00 C ATOM 658 C SER A 41 3.695 11.835 0.001 1.00 0.00 C ATOM 659 O SER A 41 4.579 12.583 -0.416 1.00 0.00 O ATOM 660 CB SER A 41 2.186 12.611 1.830 1.00 0.00 C ATOM 661 OG SER A 41 2.938 13.763 2.184 1.00 0.00 O ATOM 0 H SER A 41 0.678 11.082 0.635 1.00 0.00 H new ATOM 0 HA SER A 41 2.160 13.314 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.141 12.746 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.552 11.742 2.377 1.00 0.00 H new ATOM 0 HG SER A 41 2.863 13.919 3.149 1.00 0.00 H new ATOM 667 N LEU A 42 3.877 10.536 0.195 1.00 0.00 N ATOM 668 CA LEU A 42 5.166 9.903 -0.075 1.00 0.00 C ATOM 669 C LEU A 42 5.454 9.911 -1.568 1.00 0.00 C ATOM 670 O LEU A 42 4.540 9.820 -2.386 1.00 0.00 O ATOM 671 CB LEU A 42 5.157 8.462 0.435 1.00 0.00 C ATOM 672 CG LEU A 42 4.796 8.443 1.925 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.697 6.995 2.406 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.873 9.187 2.739 1.00 0.00 C ATOM 0 H LEU A 42 3.155 9.901 0.536 1.00 0.00 H new ATOM 0 HA LEU A 42 5.944 10.465 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.437 7.870 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.135 8.006 0.282 1.00 0.00 H new ATOM 0 HG LEU A 42 3.837 8.941 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.440 6.980 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.925 6.475 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.655 6.496 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.608 9.168 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.837 8.699 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.936 10.221 2.399 1.00 0.00 H new ATOM 686 N ASP A 43 6.736 10.018 -1.918 1.00 0.00 N ATOM 687 CA ASP A 43 7.148 10.038 -3.322 1.00 0.00 C ATOM 688 C ASP A 43 7.811 8.719 -3.700 1.00 0.00 C ATOM 689 O ASP A 43 8.902 8.406 -3.226 1.00 0.00 O ATOM 690 CB ASP A 43 8.124 11.190 -3.563 1.00 0.00 C ATOM 691 CG ASP A 43 9.307 11.086 -2.608 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.280 10.216 -1.754 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.222 11.882 -2.744 1.00 0.00 O ATOM 0 H ASP A 43 7.505 10.092 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 43 6.262 10.179 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.477 11.168 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.615 12.143 -3.421 1.00 0.00 H new ATOM 698 N GLY A 44 7.146 7.948 -4.557 1.00 0.00 N ATOM 699 CA GLY A 44 7.677 6.659 -4.996 1.00 0.00 C ATOM 700 C GLY A 44 6.566 5.624 -5.105 1.00 0.00 C ATOM 701 O GLY A 44 6.744 4.579 -5.725 1.00 0.00 O ATOM 0 H GLY A 44 6.241 8.192 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.169 6.774 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.434 6.314 -4.292 1.00 0.00 H new ATOM 705 N VAL A 45 5.421 5.923 -4.499 1.00 0.00 N ATOM 706 CA VAL A 45 4.290 5.004 -4.535 1.00 0.00 C ATOM 707 C VAL A 45 3.567 5.092 -5.875 1.00 0.00 C ATOM 708 O VAL A 45 3.262 6.182 -6.357 1.00 0.00 O ATOM 709 CB VAL A 45 3.310 5.336 -3.408 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.070 5.435 -2.086 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.626 6.674 -3.705 1.00 0.00 C ATOM 0 H VAL A 45 5.253 6.786 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 45 4.669 3.991 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 45 2.557 4.551 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.373 5.672 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.558 4.484 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.822 6.221 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.927 6.912 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.378 7.460 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.085 6.604 -4.649 1.00 0.00 H new ATOM 721 N LYS A 46 3.295 3.936 -6.473 1.00 0.00 N ATOM 722 CA LYS A 46 2.603 3.885 -7.761 1.00 0.00 C ATOM 723 C LYS A 46 1.130 3.555 -7.569 1.00 0.00 C ATOM 724 O LYS A 46 0.259 4.211 -8.141 1.00 0.00 O ATOM 725 CB LYS A 46 3.263 2.829 -8.651 1.00 0.00 C ATOM 726 CG LYS A 46 4.631 3.330 -9.146 1.00 0.00 C ATOM 727 CD LYS A 46 4.453 4.234 -10.375 1.00 0.00 C ATOM 728 CE LYS A 46 5.819 4.702 -10.863 1.00 0.00 C ATOM 729 NZ LYS A 46 5.635 5.580 -12.050 1.00 0.00 N ATOM 0 H LYS A 46 3.541 3.024 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 46 2.675 4.863 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.388 1.900 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.619 2.607 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.134 3.880 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.267 2.482 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.938 3.691 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.832 5.093 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.336 5.243 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.440 3.845 -11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.563 5.904 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.157 5.048 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.056 6.403 -11.787 1.00 0.00 H new ATOM 743 N GLU A 47 0.856 2.538 -6.764 1.00 0.00 N ATOM 744 CA GLU A 47 -0.518 2.127 -6.505 1.00 0.00 C ATOM 745 C GLU A 47 -0.621 1.423 -5.160 1.00 0.00 C ATOM 746 O GLU A 47 0.364 0.899 -4.640 1.00 0.00 O ATOM 747 CB GLU A 47 -1.002 1.195 -7.614 1.00 0.00 C ATOM 748 CG GLU A 47 0.066 0.133 -7.892 1.00 0.00 C ATOM 749 CD GLU A 47 -0.440 -0.851 -8.940 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.607 -0.771 -9.287 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.351 -1.665 -9.388 1.00 0.00 O ATOM 0 H GLU A 47 1.563 1.984 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.146 3.017 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.937 0.718 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.207 1.766 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.982 0.609 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.312 -0.397 -6.972 1.00 0.00 H new ATOM 758 N TYR A 48 -1.827 1.420 -4.603 1.00 0.00 N ATOM 759 CA TYR A 48 -2.068 0.783 -3.312 1.00 0.00 C ATOM 760 C TYR A 48 -3.541 0.445 -3.139 1.00 0.00 C ATOM 761 O TYR A 48 -4.403 1.001 -3.819 1.00 0.00 O ATOM 762 CB TYR A 48 -1.606 1.705 -2.177 1.00 0.00 C ATOM 763 CG TYR A 48 -2.055 3.119 -2.470 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.406 3.466 -2.357 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.117 4.083 -2.865 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.819 4.774 -2.638 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.531 5.390 -3.145 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.881 5.735 -3.033 1.00 0.00 C ATOM 769 OH TYR A 48 -3.290 7.024 -3.306 1.00 0.00 O ATOM 0 H TYR A 48 -2.651 1.850 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.497 -0.145 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.021 1.368 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.521 1.668 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.130 2.725 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.074 3.817 -2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.862 5.042 -2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.807 6.132 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.806 7.362 -4.088 1.00 0.00 H new ATOM 779 N SER A 49 -3.823 -0.477 -2.222 1.00 0.00 N ATOM 780 CA SER A 49 -5.197 -0.891 -1.959 1.00 0.00 C ATOM 781 C SER A 49 -5.369 -1.246 -0.489 1.00 0.00 C ATOM 782 O SER A 49 -4.606 -2.039 0.060 1.00 0.00 O ATOM 783 CB SER A 49 -5.554 -2.103 -2.824 1.00 0.00 C ATOM 784 OG SER A 49 -5.121 -3.290 -2.173 1.00 0.00 O ATOM 0 H SER A 49 -3.122 -0.949 -1.651 1.00 0.00 H new ATOM 0 HA SER A 49 -5.862 -0.063 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.630 -2.139 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.081 -2.018 -3.802 1.00 0.00 H new ATOM 0 HG SER A 49 -4.554 -3.056 -1.409 1.00 0.00 H new ATOM 790 N VAL A 50 -6.380 -0.656 0.144 1.00 0.00 N ATOM 791 CA VAL A 50 -6.650 -0.918 1.555 1.00 0.00 C ATOM 792 C VAL A 50 -7.787 -1.919 1.696 1.00 0.00 C ATOM 793 O VAL A 50 -8.942 -1.601 1.412 1.00 0.00 O ATOM 794 CB VAL A 50 -7.031 0.385 2.258 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.290 0.110 3.741 1.00 0.00 C ATOM 796 CG2 VAL A 50 -5.887 1.392 2.116 1.00 0.00 C ATOM 0 H VAL A 50 -7.023 0.003 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.752 -1.332 2.013 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.934 0.793 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.562 1.039 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.104 -0.607 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.389 -0.298 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.157 2.322 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.984 0.984 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.704 1.588 1.060 1.00 0.00 H new ATOM 806 N ILE A 51 -7.454 -3.132 2.137 1.00 0.00 N ATOM 807 CA ILE A 51 -8.457 -4.179 2.316 1.00 0.00 C ATOM 808 C ILE A 51 -8.697 -4.426 3.801 1.00 0.00 C ATOM 809 O ILE A 51 -7.902 -5.084 4.470 1.00 0.00 O ATOM 810 CB ILE A 51 -7.969 -5.473 1.658 1.00 0.00 C ATOM 811 CG1 ILE A 51 -7.636 -5.205 0.190 1.00 0.00 C ATOM 812 CG2 ILE A 51 -9.070 -6.530 1.731 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.962 -6.437 -0.414 1.00 0.00 C ATOM 0 H ILE A 51 -6.503 -3.412 2.375 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.390 -3.860 1.852 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.081 -5.828 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.545 -4.967 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.978 -4.340 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.722 -7.451 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.318 -6.725 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.956 -6.169 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.725 -6.246 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.044 -6.654 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.636 -7.291 -0.345 1.00 0.00 H new ATOM 825 N VAL A 52 -9.800 -3.886 4.303 1.00 0.00 N ATOM 826 CA VAL A 52 -10.159 -4.046 5.709 1.00 0.00 C ATOM 827 C VAL A 52 -10.677 -5.463 5.967 1.00 0.00 C ATOM 828 O VAL A 52 -10.356 -6.068 6.991 1.00 0.00 O ATOM 829 CB VAL A 52 -11.240 -3.013 6.114 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.015 -2.551 7.552 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.175 -1.807 5.169 1.00 0.00 C ATOM 0 H VAL A 52 -10.462 -3.333 3.759 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.266 -3.877 6.311 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.222 -3.480 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.781 -1.825 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.072 -3.408 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.031 -2.089 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.936 -1.080 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.190 -1.346 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.354 -2.137 4.146 1.00 0.00 H new ATOM 841 N PRO A 53 -11.474 -5.991 5.069 1.00 0.00 N ATOM 842 CA PRO A 53 -12.056 -7.356 5.217 1.00 0.00 C ATOM 843 C PRO A 53 -10.985 -8.416 5.472 1.00 0.00 C ATOM 844 O PRO A 53 -11.226 -9.403 6.168 1.00 0.00 O ATOM 845 CB PRO A 53 -12.774 -7.596 3.874 1.00 0.00 C ATOM 846 CG PRO A 53 -13.054 -6.233 3.328 1.00 0.00 C ATOM 847 CD PRO A 53 -11.909 -5.353 3.807 1.00 0.00 C ATOM 0 HA PRO A 53 -12.724 -7.427 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.150 -8.173 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.696 -8.160 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.105 -6.250 2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.013 -5.857 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.100 -5.318 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.236 -4.326 3.970 1.00 0.00 H new ATOM 855 N SER A 54 -9.804 -8.203 4.900 1.00 0.00 N ATOM 856 CA SER A 54 -8.689 -9.141 5.054 1.00 0.00 C ATOM 857 C SER A 54 -7.595 -8.530 5.921 1.00 0.00 C ATOM 858 O SER A 54 -6.558 -9.151 6.156 1.00 0.00 O ATOM 859 CB SER A 54 -8.118 -9.501 3.682 1.00 0.00 C ATOM 860 OG SER A 54 -7.299 -10.655 3.811 1.00 0.00 O ATOM 0 H SER A 54 -9.591 -7.389 4.324 1.00 0.00 H new ATOM 0 HA SER A 54 -9.059 -10.044 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.926 -9.690 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.536 -8.669 3.286 1.00 0.00 H new ATOM 0 HG SER A 54 -6.757 -10.582 4.624 1.00 0.00 H new ATOM 866 N ARG A 55 -7.834 -7.313 6.398 1.00 0.00 N ATOM 867 CA ARG A 55 -6.861 -6.631 7.243 1.00 0.00 C ATOM 868 C ARG A 55 -5.474 -6.686 6.617 1.00 0.00 C ATOM 869 O ARG A 55 -4.473 -6.830 7.317 1.00 0.00 O ATOM 870 CB ARG A 55 -6.813 -7.290 8.622 1.00 0.00 C ATOM 871 CG ARG A 55 -8.118 -7.015 9.366 1.00 0.00 C ATOM 872 CD ARG A 55 -8.067 -7.670 10.747 1.00 0.00 C ATOM 873 NE ARG A 55 -9.312 -7.423 11.467 1.00 0.00 N ATOM 874 CZ ARG A 55 -9.486 -6.313 12.182 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.535 -5.422 12.246 1.00 0.00 N ATOM 876 NH2 ARG A 55 -10.608 -6.115 12.817 1.00 0.00 N ATOM 0 H ARG A 55 -8.686 -6.782 6.216 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.167 -5.590 7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.661 -8.364 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.969 -6.903 9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.272 -5.941 9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.962 -7.406 8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.905 -8.743 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.225 -7.274 11.315 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.062 -8.113 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.658 -5.575 11.748 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.669 -4.572 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.352 -6.810 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.741 -5.265 13.365 1.00 0.00 H new ATOM 890 N THR A 56 -5.421 -6.572 5.292 1.00 0.00 N ATOM 891 CA THR A 56 -4.151 -6.611 4.566 1.00 0.00 C ATOM 892 C THR A 56 -4.027 -5.398 3.653 1.00 0.00 C ATOM 893 O THR A 56 -4.970 -5.049 2.943 1.00 0.00 O ATOM 894 CB THR A 56 -4.071 -7.883 3.728 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.237 -9.012 4.574 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.706 -7.956 3.042 1.00 0.00 C ATOM 0 H THR A 56 -6.242 -6.452 4.698 1.00 0.00 H new ATOM 0 HA THR A 56 -3.336 -6.599 5.290 1.00 0.00 H new ATOM 0 HB THR A 56 -4.856 -7.874 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.128 -8.988 4.980 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.648 -8.865 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.576 -7.087 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.920 -7.968 3.797 1.00 0.00 H new ATOM 904 N VAL A 57 -2.858 -4.760 3.677 1.00 0.00 N ATOM 905 CA VAL A 57 -2.608 -3.581 2.848 1.00 0.00 C ATOM 906 C VAL A 57 -1.428 -3.836 1.921 1.00 0.00 C ATOM 907 O VAL A 57 -0.374 -4.304 2.356 1.00 0.00 O ATOM 908 CB VAL A 57 -2.303 -2.371 3.739 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.825 -1.200 2.872 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.569 -1.966 4.494 1.00 0.00 C ATOM 0 H VAL A 57 -2.069 -5.039 4.261 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.497 -3.377 2.252 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.521 -2.633 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.609 -0.341 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.922 -1.490 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.604 -0.935 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.355 -1.106 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.350 -1.705 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.906 -2.798 5.112 1.00 0.00 H new ATOM 920 N ILE A 58 -1.613 -3.528 0.638 1.00 0.00 N ATOM 921 CA ILE A 58 -0.561 -3.724 -0.359 1.00 0.00 C ATOM 922 C ILE A 58 -0.269 -2.416 -1.083 1.00 0.00 C ATOM 923 O ILE A 58 -1.188 -1.684 -1.458 1.00 0.00 O ATOM 924 CB ILE A 58 -1.003 -4.802 -1.371 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.970 -4.192 -2.410 1.00 0.00 C ATOM 926 CG2 ILE A 58 -1.717 -5.951 -0.619 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.600 -5.301 -3.248 1.00 0.00 C ATOM 0 H ILE A 58 -2.480 -3.142 0.265 1.00 0.00 H new ATOM 0 HA ILE A 58 0.349 -4.053 0.143 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.123 -5.188 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.748 -3.620 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.433 -3.497 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.030 -6.713 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.033 -6.392 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.592 -5.558 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.281 -4.863 -3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.817 -5.854 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.153 -5.979 -2.598 1.00 0.00 H new ATOM 939 N VAL A 59 1.008 -2.126 -1.272 1.00 0.00 N ATOM 940 CA VAL A 59 1.413 -0.903 -1.958 1.00 0.00 C ATOM 941 C VAL A 59 2.637 -1.160 -2.825 1.00 0.00 C ATOM 942 O VAL A 59 3.582 -1.826 -2.398 1.00 0.00 O ATOM 943 CB VAL A 59 1.728 0.186 -0.936 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.743 -0.344 0.074 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.308 1.417 -1.649 1.00 0.00 C ATOM 0 H VAL A 59 1.781 -2.715 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 59 0.592 -0.575 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 59 0.812 0.470 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.969 0.433 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.328 -1.213 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.657 -0.631 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.531 2.191 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.223 1.138 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.582 1.797 -2.368 1.00 0.00 H new ATOM 955 N VAL A 60 2.618 -0.622 -4.043 1.00 0.00 N ATOM 956 CA VAL A 60 3.737 -0.789 -4.968 1.00 0.00 C ATOM 957 C VAL A 60 4.530 0.507 -5.041 1.00 0.00 C ATOM 958 O VAL A 60 3.970 1.574 -5.297 1.00 0.00 O ATOM 959 CB VAL A 60 3.221 -1.158 -6.359 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.408 -1.391 -7.292 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.382 -2.436 -6.267 1.00 0.00 C ATOM 0 H VAL A 60 1.844 -0.069 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 60 4.381 -1.591 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 60 2.605 -0.348 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.044 -1.654 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.006 -0.482 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.022 -2.203 -6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.013 -2.701 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.997 -3.248 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.538 -2.270 -5.598 1.00 0.00 H new ATOM 971 N HIS A 61 5.832 0.407 -4.804 1.00 0.00 N ATOM 972 CA HIS A 61 6.706 1.577 -4.825 1.00 0.00 C ATOM 973 C HIS A 61 8.134 1.177 -5.187 1.00 0.00 C ATOM 974 O HIS A 61 8.505 0.006 -5.100 1.00 0.00 O ATOM 975 CB HIS A 61 6.695 2.255 -3.451 1.00 0.00 C ATOM 976 CG HIS A 61 7.464 1.415 -2.463 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.821 1.595 -2.236 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.080 0.385 -1.644 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.199 0.692 -1.313 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.176 -0.070 -0.917 1.00 0.00 N ATOM 0 H HIS A 61 6.307 -0.471 -4.595 1.00 0.00 H new ATOM 0 HA HIS A 61 6.337 2.272 -5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.139 3.248 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.669 2.388 -3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.079 -0.013 -1.574 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.207 0.595 -0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.194 -0.823 -0.230 1.00 0.00 H new ATOM 989 N ASP A 62 8.931 2.159 -5.585 1.00 0.00 N ATOM 990 CA ASP A 62 10.322 1.905 -5.948 1.00 0.00 C ATOM 991 C ASP A 62 11.186 1.828 -4.696 1.00 0.00 C ATOM 992 O ASP A 62 11.282 2.791 -3.939 1.00 0.00 O ATOM 993 CB ASP A 62 10.838 3.017 -6.862 1.00 0.00 C ATOM 994 CG ASP A 62 12.277 2.727 -7.274 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.840 1.777 -6.754 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.796 3.457 -8.102 1.00 0.00 O ATOM 0 H ASP A 62 8.642 3.134 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 62 10.376 0.953 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.206 3.094 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.785 3.976 -6.347 1.00 0.00 H new ATOM 1001 N SER A 63 11.808 0.677 -4.479 1.00 0.00 N ATOM 1002 CA SER A 63 12.655 0.488 -3.309 1.00 0.00 C ATOM 1003 C SER A 63 13.814 1.480 -3.313 1.00 0.00 C ATOM 1004 O SER A 63 14.155 2.049 -2.277 1.00 0.00 O ATOM 1005 CB SER A 63 13.203 -0.938 -3.288 1.00 0.00 C ATOM 1006 OG SER A 63 13.994 -1.122 -2.121 1.00 0.00 O ATOM 0 H SER A 63 11.743 -0.135 -5.093 1.00 0.00 H new ATOM 0 HA SER A 63 12.051 0.660 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.382 -1.655 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.802 -1.122 -4.180 1.00 0.00 H new ATOM 0 HG SER A 63 14.345 -2.037 -2.105 1.00 0.00 H new ATOM 1012 N LEU A 64 14.423 1.677 -4.475 1.00 0.00 N ATOM 1013 CA LEU A 64 15.543 2.595 -4.580 1.00 0.00 C ATOM 1014 C LEU A 64 15.113 4.016 -4.236 1.00 0.00 C ATOM 1015 O LEU A 64 15.791 4.711 -3.483 1.00 0.00 O ATOM 1016 CB LEU A 64 16.084 2.554 -6.015 1.00 0.00 C ATOM 1017 CG LEU A 64 16.966 1.303 -6.218 1.00 0.00 C ATOM 1018 CD1 LEU A 64 16.974 0.907 -7.700 1.00 0.00 C ATOM 1019 CD2 LEU A 64 18.405 1.602 -5.776 1.00 0.00 C ATOM 0 H LEU A 64 14.162 1.218 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 64 16.318 2.293 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.256 2.542 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.665 3.454 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 64 16.560 0.487 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.598 0.024 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.957 0.686 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.373 1.729 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 64 19.022 0.715 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.805 2.424 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.412 1.879 -4.722 1.00 0.00 H new ATOM 1031 N LEU A 65 13.997 4.446 -4.806 1.00 0.00 N ATOM 1032 CA LEU A 65 13.517 5.794 -4.553 1.00 0.00 C ATOM 1033 C LEU A 65 13.061 5.935 -3.098 1.00 0.00 C ATOM 1034 O LEU A 65 13.398 6.896 -2.412 1.00 0.00 O ATOM 1035 CB LEU A 65 12.352 6.112 -5.509 1.00 0.00 C ATOM 1036 CG LEU A 65 12.285 7.619 -5.778 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.147 7.915 -6.758 1.00 0.00 C ATOM 1038 CD2 LEU A 65 12.058 8.385 -4.466 1.00 0.00 C ATOM 0 H LEU A 65 13.417 3.892 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 65 14.329 6.500 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.484 5.573 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.412 5.770 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 65 13.230 7.944 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.100 8.987 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.327 7.388 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.202 7.581 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.013 9.454 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.120 8.062 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.880 8.183 -3.780 1.00 0.00 H new ATOM 1050 N ILE A 66 12.290 4.958 -2.632 1.00 0.00 N ATOM 1051 CA ILE A 66 11.782 4.981 -1.264 1.00 0.00 C ATOM 1052 C ILE A 66 11.754 3.586 -0.687 1.00 0.00 C ATOM 1053 O ILE A 66 11.364 2.632 -1.362 1.00 0.00 O ATOM 1054 CB ILE A 66 10.376 5.577 -1.239 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.917 5.726 0.211 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.410 4.652 -1.983 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.628 6.548 0.262 1.00 0.00 C ATOM 0 H ILE A 66 12.004 4.145 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 66 12.446 5.598 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 66 10.388 6.553 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.751 4.743 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.694 6.213 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.408 5.080 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.737 4.541 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.397 3.675 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.304 6.652 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.809 7.535 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.851 6.043 -0.312 1.00 0.00 H new ATOM 1069 N SER A 67 12.180 3.464 0.565 1.00 0.00 N ATOM 1070 CA SER A 67 12.210 2.160 1.213 1.00 0.00 C ATOM 1071 C SER A 67 10.884 1.876 1.930 1.00 0.00 C ATOM 1072 O SER A 67 10.173 2.805 2.320 1.00 0.00 O ATOM 1073 CB SER A 67 13.357 2.096 2.229 1.00 0.00 C ATOM 1074 OG SER A 67 12.871 2.441 3.519 1.00 0.00 O ATOM 0 H SER A 67 12.504 4.239 1.143 1.00 0.00 H new ATOM 0 HA SER A 67 12.365 1.406 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.785 1.094 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.155 2.778 1.935 1.00 0.00 H new ATOM 0 HG SER A 67 13.605 2.398 4.167 1.00 0.00 H new ATOM 1080 N PRO A 68 10.545 0.619 2.128 1.00 0.00 N ATOM 1081 CA PRO A 68 9.283 0.226 2.837 1.00 0.00 C ATOM 1082 C PRO A 68 9.163 0.880 4.218 1.00 0.00 C ATOM 1083 O PRO A 68 8.066 1.208 4.672 1.00 0.00 O ATOM 1084 CB PRO A 68 9.396 -1.306 2.972 1.00 0.00 C ATOM 1085 CG PRO A 68 10.345 -1.729 1.899 1.00 0.00 C ATOM 1086 CD PRO A 68 11.313 -0.566 1.698 1.00 0.00 C ATOM 0 HA PRO A 68 8.397 0.549 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.767 -1.587 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.424 -1.784 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.880 -2.634 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.812 -1.955 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.217 -0.693 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.625 -0.483 0.657 1.00 0.00 H new ATOM 1094 N PHE A 69 10.300 1.052 4.884 1.00 0.00 N ATOM 1095 CA PHE A 69 10.314 1.645 6.213 1.00 0.00 C ATOM 1096 C PHE A 69 9.654 3.018 6.195 1.00 0.00 C ATOM 1097 O PHE A 69 8.949 3.387 7.134 1.00 0.00 O ATOM 1098 CB PHE A 69 11.754 1.783 6.712 1.00 0.00 C ATOM 1099 CG PHE A 69 12.374 0.414 6.857 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.126 -0.352 8.004 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.199 -0.089 5.845 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.701 -1.620 8.135 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.774 -1.359 5.976 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.526 -2.125 7.122 1.00 0.00 C ATOM 0 H PHE A 69 11.219 0.790 4.526 1.00 0.00 H new ATOM 0 HA PHE A 69 9.756 0.991 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.336 2.384 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.769 2.303 7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.491 0.037 8.786 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.392 0.503 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.509 -2.211 9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.409 -1.748 5.193 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.970 -3.104 7.224 1.00 0.00 H new ATOM 1114 N GLN A 70 9.883 3.772 5.127 1.00 0.00 N ATOM 1115 CA GLN A 70 9.301 5.099 5.011 1.00 0.00 C ATOM 1116 C GLN A 70 7.778 5.015 4.983 1.00 0.00 C ATOM 1117 O GLN A 70 7.093 5.806 5.632 1.00 0.00 O ATOM 1118 CB GLN A 70 9.798 5.766 3.726 1.00 0.00 C ATOM 1119 CG GLN A 70 9.346 7.226 3.688 1.00 0.00 C ATOM 1120 CD GLN A 70 10.066 8.020 4.772 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.267 7.843 4.976 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.399 8.886 5.485 1.00 0.00 N ATOM 0 H GLN A 70 10.462 3.489 4.337 1.00 0.00 H new ATOM 0 HA GLN A 70 9.604 5.690 5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.885 5.712 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.411 5.234 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.557 7.656 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.268 7.286 3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.404 9.030 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.873 9.419 6.214 1.00 0.00 H new ATOM 1131 N ILE A 71 7.250 4.059 4.223 1.00 0.00 N ATOM 1132 CA ILE A 71 5.806 3.897 4.121 1.00 0.00 C ATOM 1133 C ILE A 71 5.212 3.510 5.472 1.00 0.00 C ATOM 1134 O ILE A 71 4.185 4.046 5.888 1.00 0.00 O ATOM 1135 CB ILE A 71 5.479 2.817 3.087 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.889 3.304 1.693 1.00 0.00 C ATOM 1137 CG2 ILE A 71 3.973 2.538 3.098 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.837 2.137 0.705 1.00 0.00 C ATOM 0 H ILE A 71 7.795 3.393 3.675 1.00 0.00 H new ATOM 0 HA ILE A 71 5.371 4.846 3.808 1.00 0.00 H new ATOM 0 HB ILE A 71 6.023 1.905 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.222 4.101 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.895 3.722 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.740 1.769 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.674 2.195 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.432 3.452 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.129 2.486 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.522 1.354 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.823 1.739 0.665 1.00 0.00 H new ATOM 1150 N ALA A 72 5.865 2.575 6.152 1.00 0.00 N ATOM 1151 CA ALA A 72 5.390 2.124 7.454 1.00 0.00 C ATOM 1152 C ALA A 72 5.495 3.242 8.483 1.00 0.00 C ATOM 1153 O ALA A 72 4.602 3.427 9.309 1.00 0.00 O ATOM 1154 CB ALA A 72 6.212 0.925 7.918 1.00 0.00 C ATOM 0 H ALA A 72 6.717 2.118 5.827 1.00 0.00 H new ATOM 0 HA ALA A 72 4.343 1.835 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.852 0.592 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.111 0.114 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.261 1.211 7.997 1.00 0.00 H new ATOM 1160 N LYS A 73 6.597 3.983 8.429 1.00 0.00 N ATOM 1161 CA LYS A 73 6.813 5.079 9.361 1.00 0.00 C ATOM 1162 C LYS A 73 5.735 6.141 9.192 1.00 0.00 C ATOM 1163 O LYS A 73 5.197 6.650 10.169 1.00 0.00 O ATOM 1164 CB LYS A 73 8.186 5.710 9.121 1.00 0.00 C ATOM 1165 CG LYS A 73 8.460 6.768 10.191 1.00 0.00 C ATOM 1166 CD LYS A 73 9.859 7.356 9.986 1.00 0.00 C ATOM 1167 CE LYS A 73 10.147 8.385 11.082 1.00 0.00 C ATOM 1168 NZ LYS A 73 9.142 9.484 11.011 1.00 0.00 N ATOM 0 H LYS A 73 7.349 3.844 7.754 1.00 0.00 H new ATOM 0 HA LYS A 73 6.767 4.681 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.960 4.943 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.221 6.163 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.711 7.558 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.383 6.324 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.606 6.562 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.927 7.826 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.111 7.908 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.152 8.789 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.624 10.401 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.643 9.440 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.457 9.379 11.786 1.00 0.00 H new ATOM 1182 N ALA A 74 5.423 6.467 7.941 1.00 0.00 N ATOM 1183 CA ALA A 74 4.407 7.478 7.660 1.00 0.00 C ATOM 1184 C ALA A 74 3.084 7.103 8.318 1.00 0.00 C ATOM 1185 O ALA A 74 2.423 7.939 8.933 1.00 0.00 O ATOM 1186 CB ALA A 74 4.216 7.617 6.146 1.00 0.00 C ATOM 0 H ALA A 74 5.853 6.052 7.114 1.00 0.00 H new ATOM 0 HA ALA A 74 4.741 8.431 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.457 8.372 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.158 7.916 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.897 6.661 5.730 1.00 0.00 H new ATOM 1192 N LEU A 75 2.701 5.844 8.182 1.00 0.00 N ATOM 1193 CA LEU A 75 1.454 5.370 8.768 1.00 0.00 C ATOM 1194 C LEU A 75 1.509 5.434 10.289 1.00 0.00 C ATOM 1195 O LEU A 75 0.539 5.818 10.939 1.00 0.00 O ATOM 1196 CB LEU A 75 1.192 3.931 8.331 1.00 0.00 C ATOM 1197 CG LEU A 75 0.918 3.890 6.819 1.00 0.00 C ATOM 1198 CD1 LEU A 75 0.876 2.431 6.349 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.421 4.588 6.484 1.00 0.00 C ATOM 0 H LEU A 75 3.230 5.135 7.675 1.00 0.00 H new ATOM 0 HA LEU A 75 0.647 6.015 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.052 3.306 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.340 3.525 8.876 1.00 0.00 H new ATOM 0 HG LEU A 75 1.719 4.420 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.682 2.400 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.833 1.954 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.083 1.901 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.594 4.547 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.235 4.081 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.379 5.629 6.805 1.00 0.00 H new ATOM 1211 N ASN A 76 2.649 5.050 10.847 1.00 0.00 N ATOM 1212 CA ASN A 76 2.822 5.059 12.293 1.00 0.00 C ATOM 1213 C ASN A 76 2.707 6.476 12.842 1.00 0.00 C ATOM 1214 O ASN A 76 2.119 6.696 13.901 1.00 0.00 O ATOM 1215 CB ASN A 76 4.189 4.482 12.656 1.00 0.00 C ATOM 1216 CG ASN A 76 4.238 2.996 12.318 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.354 2.238 12.715 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.226 2.533 11.599 1.00 0.00 N ATOM 0 H ASN A 76 3.464 4.730 10.324 1.00 0.00 H new ATOM 0 HA ASN A 76 2.036 4.447 12.736 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.972 5.012 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.383 4.628 13.719 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.266 1.541 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.958 3.164 11.271 1.00 0.00 H new ATOM 1225 N GLU A 77 3.268 7.437 12.117 1.00 0.00 N ATOM 1226 CA GLU A 77 3.220 8.831 12.547 1.00 0.00 C ATOM 1227 C GLU A 77 1.795 9.230 12.915 1.00 0.00 C ATOM 1228 O GLU A 77 1.583 10.150 13.703 1.00 0.00 O ATOM 1229 CB GLU A 77 3.740 9.745 11.429 1.00 0.00 C ATOM 1230 CG GLU A 77 5.265 9.649 11.346 1.00 0.00 C ATOM 1231 CD GLU A 77 5.892 10.320 12.561 1.00 0.00 C ATOM 1232 OE1 GLU A 77 5.226 11.145 13.165 1.00 0.00 O ATOM 1233 OE2 GLU A 77 7.028 10.001 12.868 1.00 0.00 O ATOM 0 H GLU A 77 3.758 7.280 11.236 1.00 0.00 H new ATOM 0 HA GLU A 77 3.854 8.941 13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.296 9.457 10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.442 10.776 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.571 8.604 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.619 10.126 10.432 1.00 0.00 H new ATOM 1240 N ALA A 78 0.824 8.529 12.344 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.577 8.820 12.622 1.00 0.00 C ATOM 1242 C ALA A 78 -1.016 8.134 13.908 1.00 0.00 C ATOM 1243 O ALA A 78 -2.173 7.748 14.043 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.453 8.336 11.467 1.00 0.00 C ATOM 0 H ALA A 78 0.978 7.761 11.691 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.688 9.898 12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.498 8.558 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.158 8.844 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.329 7.260 11.342 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.084 7.987 14.847 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.384 7.341 16.122 1.00 0.00 C ATOM 1252 C ARG A 79 -0.897 5.924 15.905 1.00 0.00 C ATOM 1253 O ARG A 79 -1.654 5.399 16.721 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.429 8.150 16.897 1.00 0.00 C ATOM 1255 CG ARG A 79 -0.802 9.456 17.379 1.00 0.00 C ATOM 1256 CD ARG A 79 -1.854 10.275 18.125 1.00 0.00 C ATOM 1257 NE ARG A 79 -1.279 11.534 18.582 1.00 0.00 N ATOM 1258 CZ ARG A 79 -0.598 11.605 19.720 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -0.429 10.533 20.446 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -0.095 12.743 20.112 1.00 0.00 N ATOM 0 H ARG A 79 0.880 8.305 14.750 1.00 0.00 H new ATOM 0 HA ARG A 79 0.539 7.296 16.700 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.289 8.359 16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.795 7.574 17.747 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.044 9.247 18.033 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.417 10.023 16.531 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.704 10.471 17.471 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.231 9.708 18.976 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.402 12.375 18.018 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.820 9.642 20.139 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.094 10.586 21.320 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.224 13.580 19.544 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.428 12.795 20.986 1.00 0.00 H new ATOM 1274 N LEU A 80 -0.475 5.306 14.803 1.00 0.00 N ATOM 1275 CA LEU A 80 -0.889 3.937 14.479 1.00 0.00 C ATOM 1276 C LEU A 80 0.252 2.968 14.759 1.00 0.00 C ATOM 1277 O LEU A 80 1.284 3.345 15.317 1.00 0.00 O ATOM 1278 CB LEU A 80 -1.321 3.849 12.993 1.00 0.00 C ATOM 1279 CG LEU A 80 -2.845 3.953 12.868 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.299 5.345 13.292 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.249 3.700 11.418 1.00 0.00 C ATOM 0 H LEU A 80 0.152 5.729 14.119 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.739 3.665 15.105 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.848 4.649 12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.979 2.907 12.564 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.316 3.211 13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.383 5.417 13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.008 5.523 14.327 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.831 6.091 12.650 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.333 3.773 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.778 4.443 10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.925 2.703 11.119 1.00 0.00 H new ATOM 1293 N GLU A 81 0.042 1.712 14.378 1.00 0.00 N ATOM 1294 CA GLU A 81 1.034 0.663 14.587 1.00 0.00 C ATOM 1295 C GLU A 81 1.175 -0.199 13.339 1.00 0.00 C ATOM 1296 O GLU A 81 0.835 -1.381 13.342 1.00 0.00 O ATOM 1297 CB GLU A 81 0.623 -0.210 15.777 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.856 -0.596 15.655 1.00 0.00 C ATOM 1299 CD GLU A 81 -1.276 -1.419 16.868 1.00 0.00 C ATOM 1300 OE1 GLU A 81 -0.845 -1.088 17.960 1.00 0.00 O ATOM 1301 OE2 GLU A 81 -2.025 -2.362 16.688 1.00 0.00 O ATOM 0 H GLU A 81 -0.812 1.394 13.920 1.00 0.00 H new ATOM 0 HA GLU A 81 1.996 1.131 14.796 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.240 -1.108 15.811 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.792 0.328 16.710 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.471 0.301 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.018 -1.168 14.742 1.00 0.00 H new ATOM 1308 N ALA A 82 1.692 0.401 12.270 1.00 0.00 N ATOM 1309 CA ALA A 82 1.885 -0.320 11.018 1.00 0.00 C ATOM 1310 C ALA A 82 3.256 -0.983 10.989 1.00 0.00 C ATOM 1311 O ALA A 82 4.220 -0.461 11.549 1.00 0.00 O ATOM 1312 CB ALA A 82 1.758 0.640 9.836 1.00 0.00 C ATOM 0 H ALA A 82 1.983 1.378 12.246 1.00 0.00 H new ATOM 0 HA ALA A 82 1.118 -1.091 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.904 0.092 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.766 1.092 9.839 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.513 1.421 9.919 1.00 0.00 H new ATOM 1318 N ASN A 83 3.336 -2.136 10.331 1.00 0.00 N ATOM 1319 CA ASN A 83 4.597 -2.869 10.232 1.00 0.00 C ATOM 1320 C ASN A 83 4.648 -3.658 8.933 1.00 0.00 C ATOM 1321 O ASN A 83 3.644 -3.780 8.235 1.00 0.00 O ATOM 1322 CB ASN A 83 4.745 -3.823 11.420 1.00 0.00 C ATOM 1323 CG ASN A 83 3.478 -4.655 11.584 1.00 0.00 C ATOM 1324 OD1 ASN A 83 2.659 -4.375 12.460 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.265 -5.666 10.786 1.00 0.00 N ATOM 0 H ASN A 83 2.548 -2.582 9.861 1.00 0.00 H new ATOM 0 HA ASN A 83 5.417 -2.151 10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.602 -4.478 11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.937 -3.255 12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.419 -6.226 10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.945 -5.896 10.061 1.00 0.00 H new ATOM 1332 N VAL A 84 5.823 -4.192 8.610 1.00 0.00 N ATOM 1333 CA VAL A 84 5.996 -4.972 7.382 1.00 0.00 C ATOM 1334 C VAL A 84 6.015 -6.460 7.696 1.00 0.00 C ATOM 1335 O VAL A 84 7.012 -6.982 8.195 1.00 0.00 O ATOM 1336 CB VAL A 84 7.310 -4.584 6.706 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.487 -5.403 5.430 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.280 -3.095 6.356 1.00 0.00 C ATOM 0 H VAL A 84 6.667 -4.101 9.176 1.00 0.00 H new ATOM 0 HA VAL A 84 5.160 -4.759 6.715 1.00 0.00 H new ATOM 0 HB VAL A 84 8.141 -4.783 7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.424 -5.127 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.506 -6.464 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.657 -5.204 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.217 -2.816 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.450 -2.897 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.152 -2.510 7.267 1.00 0.00 H new ATOM 1348 N ARG A 85 4.905 -7.133 7.398 1.00 0.00 N ATOM 1349 CA ARG A 85 4.792 -8.565 7.650 1.00 0.00 C ATOM 1350 C ARG A 85 5.022 -8.870 9.128 1.00 0.00 C ATOM 1351 O ARG A 85 5.880 -8.268 9.773 1.00 0.00 O ATOM 1352 CB ARG A 85 5.812 -9.325 6.798 1.00 0.00 C ATOM 1353 CG ARG A 85 5.623 -10.832 6.987 1.00 0.00 C ATOM 1354 CD ARG A 85 6.626 -11.583 6.115 1.00 0.00 C ATOM 1355 NE ARG A 85 6.361 -13.017 6.168 1.00 0.00 N ATOM 1356 CZ ARG A 85 6.863 -13.777 7.137 1.00 0.00 C ATOM 1357 NH1 ARG A 85 7.607 -13.242 8.066 1.00 0.00 N ATOM 1358 NH2 ARG A 85 6.608 -15.057 7.161 1.00 0.00 N ATOM 0 H ARG A 85 4.075 -6.710 6.983 1.00 0.00 H new ATOM 0 HA ARG A 85 3.786 -8.886 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.690 -9.063 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.824 -9.037 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.764 -11.099 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.606 -11.118 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.560 -11.231 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.641 -11.380 6.457 1.00 0.00 H new ATOM 0 HE ARG A 85 5.779 -13.445 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.803 -12.241 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.992 -13.825 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.024 -15.474 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.993 -15.640 7.904 1.00 0.00 H new ATOM 1372 N VAL A 86 4.249 -9.809 9.665 1.00 0.00 N ATOM 1373 CA VAL A 86 4.378 -10.185 11.073 1.00 0.00 C ATOM 1374 C VAL A 86 5.173 -11.478 11.209 1.00 0.00 C ATOM 1375 O VAL A 86 4.872 -12.477 10.553 1.00 0.00 O ATOM 1376 CB VAL A 86 2.992 -10.373 11.686 1.00 0.00 C ATOM 1377 CG1 VAL A 86 3.136 -10.751 13.160 1.00 0.00 C ATOM 1378 CG2 VAL A 86 2.202 -9.067 11.569 1.00 0.00 C ATOM 0 H VAL A 86 3.531 -10.322 9.153 1.00 0.00 H new ATOM 0 HA VAL A 86 4.906 -9.389 11.598 1.00 0.00 H new ATOM 0 HB VAL A 86 2.464 -11.166 11.157 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.148 -10.886 13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.700 -11.680 13.244 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.663 -9.957 13.689 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.212 -9.200 12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.729 -8.274 12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.101 -8.796 10.518 1.00 0.00 H new ATOM 1388 N ASN A 87 6.190 -11.451 12.064 1.00 0.00 N ATOM 1389 CA ASN A 87 7.025 -12.628 12.281 1.00 0.00 C ATOM 1390 C ASN A 87 6.213 -13.747 12.921 1.00 0.00 C ATOM 1391 O ASN A 87 5.563 -14.529 12.226 1.00 0.00 O ATOM 1392 CB ASN A 87 8.207 -12.269 13.184 1.00 0.00 C ATOM 1393 CG ASN A 87 9.042 -13.513 13.469 1.00 0.00 C ATOM 1394 OD1 ASN A 87 9.188 -14.375 12.602 1.00 0.00 O ATOM 1395 ND2 ASN A 87 9.600 -13.657 14.638 1.00 0.00 N ATOM 0 H ASN A 87 6.455 -10.634 12.614 1.00 0.00 H new ATOM 0 HA ASN A 87 7.398 -12.972 11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.824 -11.509 12.705 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.844 -11.842 14.119 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.160 -14.486 14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.477 -12.941 15.354 1.00 0.00 H new ATOM 1402 N GLY A 88 6.250 -13.818 14.249 1.00 0.00 N ATOM 1403 CA GLY A 88 5.510 -14.846 14.975 1.00 0.00 C ATOM 1404 C GLY A 88 4.090 -14.381 15.265 1.00 0.00 C ATOM 1405 O GLY A 88 3.877 -13.269 15.745 1.00 0.00 O ATOM 0 H GLY A 88 6.781 -13.180 14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.485 -15.765 14.390 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.021 -15.077 15.910 1.00 0.00 H new ATOM 1409 N GLU A 89 3.119 -15.239 14.967 1.00 0.00 N ATOM 1410 CA GLU A 89 1.718 -14.904 15.200 1.00 0.00 C ATOM 1411 C GLU A 89 1.341 -15.198 16.647 1.00 0.00 C ATOM 1412 O GLU A 89 1.531 -16.313 17.130 1.00 0.00 O ATOM 1413 CB GLU A 89 0.824 -15.723 14.267 1.00 0.00 C ATOM 1414 CG GLU A 89 -0.622 -15.241 14.394 1.00 0.00 C ATOM 1415 CD GLU A 89 -1.517 -16.023 13.440 1.00 0.00 C ATOM 1416 OE1 GLU A 89 -0.983 -16.677 12.560 1.00 0.00 O ATOM 1417 OE2 GLU A 89 -2.724 -15.957 13.602 1.00 0.00 O ATOM 0 H GLU A 89 3.274 -16.164 14.567 1.00 0.00 H new ATOM 0 HA GLU A 89 1.576 -13.842 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.164 -15.620 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.889 -16.781 14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.969 -15.370 15.419 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.680 -14.176 14.170 1.00 0.00 H new ATOM 1424 N THR A 90 0.806 -14.191 17.336 1.00 0.00 N ATOM 1425 CA THR A 90 0.401 -14.346 18.735 1.00 0.00 C ATOM 1426 C THR A 90 -1.110 -14.196 18.870 1.00 0.00 C ATOM 1427 O THR A 90 -1.677 -13.165 18.507 1.00 0.00 O ATOM 1428 CB THR A 90 1.097 -13.287 19.595 1.00 0.00 C ATOM 1429 OG1 THR A 90 2.504 -13.404 19.432 1.00 0.00 O ATOM 1430 CG2 THR A 90 0.733 -13.504 21.062 1.00 0.00 C ATOM 0 H THR A 90 0.643 -13.261 16.951 1.00 0.00 H new ATOM 0 HA THR A 90 0.690 -15.341 19.074 1.00 0.00 H new ATOM 0 HB THR A 90 0.774 -12.293 19.286 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.954 -12.727 19.979 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.228 -12.751 21.675 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.347 -13.420 21.185 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.058 -14.497 21.374 1.00 0.00 H new ATOM 1438 N SER A 91 -1.753 -15.235 19.391 1.00 0.00 N ATOM 1439 CA SER A 91 -3.200 -15.219 19.572 1.00 0.00 C ATOM 1440 C SER A 91 -3.566 -14.522 20.879 1.00 0.00 C ATOM 1441 O SER A 91 -3.306 -13.330 21.050 1.00 0.00 O ATOM 1442 CB SER A 91 -3.741 -16.650 19.579 1.00 0.00 C ATOM 1443 OG SER A 91 -5.161 -16.611 19.618 1.00 0.00 O ATOM 0 H SER A 91 -1.298 -16.096 19.694 1.00 0.00 H new ATOM 0 HA SER A 91 -3.648 -14.669 18.744 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.404 -17.184 18.690 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.356 -17.193 20.442 1.00 0.00 H new ATOM 0 HG SER A 91 -5.513 -17.525 19.621 1.00 0.00 H new ATOM 1449 N PHE A 92 -4.168 -15.271 21.800 1.00 0.00 N ATOM 1450 CA PHE A 92 -4.568 -14.717 23.090 1.00 0.00 C ATOM 1451 C PHE A 92 -5.150 -13.317 22.917 1.00 0.00 C ATOM 1452 O PHE A 92 -4.661 -12.352 23.505 1.00 0.00 O ATOM 1453 CB PHE A 92 -3.361 -14.659 24.025 1.00 0.00 C ATOM 1454 CG PHE A 92 -2.922 -16.064 24.369 1.00 0.00 C ATOM 1455 CD1 PHE A 92 -3.619 -16.797 25.335 1.00 0.00 C ATOM 1456 CD2 PHE A 92 -1.817 -16.632 23.722 1.00 0.00 C ATOM 1457 CE1 PHE A 92 -3.212 -18.098 25.657 1.00 0.00 C ATOM 1458 CE2 PHE A 92 -1.410 -17.933 24.043 1.00 0.00 C ATOM 1459 CZ PHE A 92 -2.107 -18.666 25.011 1.00 0.00 C ATOM 0 H PHE A 92 -4.389 -16.259 21.677 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.333 -15.362 23.522 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.544 -14.118 23.548 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.617 -14.114 24.933 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.472 -16.360 25.833 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.279 -16.067 22.976 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.750 -18.663 26.403 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.558 -18.371 23.544 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.793 -19.669 25.259 1.00 0.00 H new ATOM 1469 N LYS A 93 -6.199 -13.215 22.106 1.00 0.00 N ATOM 1470 CA LYS A 93 -6.841 -11.930 21.863 1.00 0.00 C ATOM 1471 C LYS A 93 -7.443 -11.378 23.150 1.00 0.00 C ATOM 1472 O LYS A 93 -7.355 -10.181 23.423 1.00 0.00 O ATOM 1473 CB LYS A 93 -7.938 -12.080 20.805 1.00 0.00 C ATOM 1474 CG LYS A 93 -7.301 -12.382 19.447 1.00 0.00 C ATOM 1475 CD LYS A 93 -8.396 -12.514 18.388 1.00 0.00 C ATOM 1476 CE LYS A 93 -7.762 -12.817 17.030 1.00 0.00 C ATOM 1477 NZ LYS A 93 -8.830 -12.960 16.001 1.00 0.00 N ATOM 0 H LYS A 93 -6.619 -14.001 21.610 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.085 -11.233 21.502 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.620 -12.883 21.085 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.528 -11.166 20.746 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.609 -11.586 19.173 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.721 -13.303 19.502 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.088 -13.310 18.663 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.976 -11.592 18.333 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.078 -12.016 16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.174 -13.733 17.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.397 -13.166 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.466 -13.739 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.373 -12.075 15.939 1.00 0.00 H new ATOM 1491 N ASN A 94 -8.053 -12.258 23.934 1.00 0.00 N ATOM 1492 CA ASN A 94 -8.668 -11.849 25.191 1.00 0.00 C ATOM 1493 C ASN A 94 -9.591 -10.655 24.969 1.00 0.00 C ATOM 1494 O ASN A 94 -9.688 -10.131 23.860 1.00 0.00 O ATOM 1495 CB ASN A 94 -7.581 -11.483 26.207 1.00 0.00 C ATOM 1496 CG ASN A 94 -6.903 -12.747 26.726 1.00 0.00 C ATOM 1497 OD1 ASN A 94 -5.693 -12.756 26.950 1.00 0.00 O ATOM 1498 ND2 ASN A 94 -7.614 -13.822 26.940 1.00 0.00 N ATOM 0 H ASN A 94 -8.135 -13.253 23.724 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.258 -12.680 25.577 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.843 -10.829 25.742 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.020 -10.929 27.037 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.166 -14.668 27.293 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.617 -13.815 26.755 1.00 0.00 H new ATOM 1505 N LYS A 95 -10.265 -10.232 26.032 1.00 0.00 N ATOM 1506 CA LYS A 95 -11.178 -9.099 25.943 1.00 0.00 C ATOM 1507 C LYS A 95 -12.087 -9.238 24.729 1.00 0.00 C ATOM 1508 O LYS A 95 -12.048 -10.247 24.025 1.00 0.00 O ATOM 1509 CB LYS A 95 -10.381 -7.798 25.839 1.00 0.00 C ATOM 1510 CG LYS A 95 -9.404 -7.691 27.017 1.00 0.00 C ATOM 1511 CD LYS A 95 -10.177 -7.544 28.337 1.00 0.00 C ATOM 1512 CE LYS A 95 -9.250 -6.988 29.416 1.00 0.00 C ATOM 1513 NZ LYS A 95 -9.021 -5.538 29.170 1.00 0.00 N ATOM 0 H LYS A 95 -10.198 -10.653 26.959 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.794 -9.079 26.842 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.833 -7.771 24.897 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.059 -6.945 25.838 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.771 -8.577 27.055 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.745 -6.834 26.876 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.030 -6.879 28.198 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.574 -8.511 28.647 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.691 -7.136 30.402 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.301 -7.524 29.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.740 -5.075 30.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.266 -5.421 28.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.897 -5.103 28.816 1.00 0.00 H new ATOM 1527 N TRP A 96 -12.908 -8.221 24.494 1.00 0.00 N ATOM 1528 CA TRP A 96 -13.829 -8.242 23.366 1.00 0.00 C ATOM 1529 C TRP A 96 -13.062 -8.169 22.050 1.00 0.00 C ATOM 1530 O TRP A 96 -13.468 -8.837 21.113 1.00 0.00 O ATOM 1531 CB TRP A 96 -14.800 -7.064 23.460 1.00 0.00 C ATOM 1532 CG TRP A 96 -14.038 -5.812 23.759 1.00 0.00 C ATOM 1533 CD1 TRP A 96 -13.521 -4.978 22.828 1.00 0.00 C ATOM 1534 CD2 TRP A 96 -13.699 -5.240 25.054 1.00 0.00 C ATOM 1535 NE1 TRP A 96 -12.886 -3.931 23.470 1.00 0.00 N ATOM 1536 CE2 TRP A 96 -12.968 -4.046 24.843 1.00 0.00 C ATOM 1537 CE3 TRP A 96 -13.953 -5.636 26.380 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 -12.505 -3.275 25.907 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 -13.487 -4.861 27.456 1.00 0.00 C ATOM 1540 CH2 TRP A 96 -12.766 -3.682 27.219 1.00 0.00 C ATOM 1541 OXT TRP A 96 -12.080 -7.448 21.999 1.00 0.00 O ATOM 0 H TRP A 96 -12.954 -7.377 25.066 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.390 -9.176 23.396 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -15.347 -6.954 22.524 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -15.538 -7.249 24.241 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.593 -5.109 21.758 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -12.414 -3.166 22.987 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -14.510 -6.541 26.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -11.948 -2.369 25.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -13.685 -5.175 28.470 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -12.412 -3.089 28.049 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.688 5.006 11.887 1.00 0.00 ZN HETATM 1554 O HOH A 301 -14.305 6.228 12.735 1.00 0.00 O