USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -4.49 K(o=-4.9,f=-14!) USER MOD Set 1.2: A 45 ASN : amide:sc= -0.994 K(o=-4.9,f=-8) USER MOD Set 1.3: A 79 SER OG : rot -60:sc= 0.56 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.104) USER MOD Set 2.2: A 38 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.56) USER MOD Single : A 1 LYS N :NH3+ -116:sc= 0.0964 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= -0.0295 (180deg=-0.478) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0204 (180deg=-0.445) USER MOD Single : A 13 GLN : amide:sc= -4.12! C(o=-4.1!,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -1.39 (180deg=-1.92) USER MOD Single : A 28 SER OG : rot 82:sc= 0.14 USER MOD Single : A 29 GLN : amide:sc= -1.96 K(o=-2,f=-0.046) USER MOD Single : A 31 MET CE :methyl -171:sc= -0.0254 (180deg=-0.156) USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.995 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 39 CYS SG : rot 1:sc= -6.22! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.83 K(o=-3.8,f=-1.8) USER MOD Single : A 53 THR OG1 : rot -28:sc= 0.289 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -6.97! C(o=-7!,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -0.0123 (180deg=-0.372) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.63) USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.199 (180deg=-0.937) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -1.24 (180deg=-1.82) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.59) USER MOD Single : A 86 SER OG : rot 156:sc= -1.1 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 89 ASN : amide:sc= -4.03! C(o=-4!,f=-4!) USER MOD Single : A 92 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.1!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.58) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 153:sc= -0.0958 (180deg=-0.684) USER MOD Single : A 107 SER OG : rot 4:sc= 0.886! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.120 6.719 1.445 1.00 0.00 N ATOM 2 CA LYS A 1 -1.219 7.020 2.026 1.00 0.00 C ATOM 3 C LYS A 1 -2.233 7.202 0.895 1.00 0.00 C ATOM 4 O LYS A 1 -1.872 7.400 -0.247 1.00 0.00 O ATOM 5 CB LYS A 1 -1.135 8.305 2.857 1.00 0.00 C ATOM 6 CG LYS A 1 -2.416 8.487 3.678 1.00 0.00 C ATOM 7 CD LYS A 1 -2.221 9.623 4.684 1.00 0.00 C ATOM 8 CE LYS A 1 -3.528 9.871 5.437 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.548 10.415 4.497 1.00 0.00 N ATOM 0 H1 LYS A 1 0.415 5.764 1.730 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.068 6.770 0.408 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.813 7.413 1.791 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.536 6.196 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.272 8.262 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.990 9.163 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.254 8.711 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.660 7.562 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.428 9.368 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.909 10.531 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.886 8.942 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.361 10.572 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.289 10.908 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.095 11.083 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.974 9.635 3.957 1.00 0.00 H new ATOM 25 N VAL A 2 -3.504 7.132 1.211 1.00 0.00 N ATOM 26 CA VAL A 2 -4.571 7.295 0.171 1.00 0.00 C ATOM 27 C VAL A 2 -5.649 8.244 0.708 1.00 0.00 C ATOM 28 O VAL A 2 -5.616 8.649 1.853 1.00 0.00 O ATOM 29 CB VAL A 2 -5.174 5.916 -0.138 1.00 0.00 C ATOM 30 CG1 VAL A 2 -5.745 5.293 1.146 1.00 0.00 C ATOM 31 CG2 VAL A 2 -6.287 6.044 -1.196 1.00 0.00 C ATOM 0 H VAL A 2 -3.852 6.967 2.156 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.154 7.716 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.388 5.271 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.171 4.316 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.948 5.179 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.522 5.942 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.705 5.059 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.073 6.700 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.872 6.464 -2.112 1.00 0.00 H new ATOM 41 N LYS A 3 -6.593 8.616 -0.113 1.00 0.00 N ATOM 42 CA LYS A 3 -7.662 9.554 0.338 1.00 0.00 C ATOM 43 C LYS A 3 -8.242 9.094 1.679 1.00 0.00 C ATOM 44 O LYS A 3 -8.356 9.866 2.610 1.00 0.00 O ATOM 45 CB LYS A 3 -8.780 9.606 -0.713 1.00 0.00 C ATOM 46 CG LYS A 3 -8.183 9.735 -2.124 1.00 0.00 C ATOM 47 CD LYS A 3 -7.197 10.911 -2.178 1.00 0.00 C ATOM 48 CE LYS A 3 -6.899 11.270 -3.637 1.00 0.00 C ATOM 49 NZ LYS A 3 -6.246 10.112 -4.310 1.00 0.00 N ATOM 0 H LYS A 3 -6.671 8.309 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.229 10.547 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.389 8.704 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.439 10.451 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.673 8.811 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.980 9.886 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.616 11.773 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.273 10.647 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.822 11.532 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.250 12.144 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.760 10.439 -5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.555 9.680 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.967 9.408 -4.567 1.00 0.00 H new ATOM 63 N PHE A 4 -8.621 7.846 1.788 1.00 0.00 N ATOM 64 CA PHE A 4 -9.201 7.355 3.075 1.00 0.00 C ATOM 65 C PHE A 4 -8.081 6.999 4.057 1.00 0.00 C ATOM 66 O PHE A 4 -6.943 6.809 3.678 1.00 0.00 O ATOM 67 CB PHE A 4 -10.098 6.139 2.831 1.00 0.00 C ATOM 68 CG PHE A 4 -9.422 5.140 1.926 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.488 5.318 0.545 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.760 4.023 2.459 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.892 4.389 -0.313 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.169 3.088 1.601 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.235 3.274 0.213 1.00 0.00 C ATOM 0 H PHE A 4 -8.555 7.149 1.046 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.808 8.150 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.342 5.666 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.039 6.461 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.001 6.176 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.707 3.885 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.939 4.533 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.663 2.225 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.778 2.555 -0.450 1.00 0.00 H new ATOM 83 N THR A 5 -8.401 6.928 5.326 1.00 0.00 N ATOM 84 CA THR A 5 -7.369 6.610 6.359 1.00 0.00 C ATOM 85 C THR A 5 -7.265 5.105 6.555 1.00 0.00 C ATOM 86 O THR A 5 -8.146 4.347 6.201 1.00 0.00 O ATOM 87 CB THR A 5 -7.736 7.257 7.692 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.860 6.776 8.703 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.175 6.906 8.056 1.00 0.00 C ATOM 0 H THR A 5 -9.341 7.078 5.692 1.00 0.00 H new ATOM 0 HA THR A 5 -6.412 7.001 6.014 1.00 0.00 H new ATOM 0 HB THR A 5 -7.641 8.340 7.608 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.091 7.190 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.433 7.370 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.847 7.273 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.275 5.824 8.141 1.00 0.00 H new ATOM 97 N GLU A 6 -6.181 4.675 7.120 1.00 0.00 N ATOM 98 CA GLU A 6 -5.979 3.219 7.356 1.00 0.00 C ATOM 99 C GLU A 6 -7.223 2.620 8.022 1.00 0.00 C ATOM 100 O GLU A 6 -7.649 1.541 7.684 1.00 0.00 O ATOM 101 CB GLU A 6 -4.760 3.013 8.263 1.00 0.00 C ATOM 102 CG GLU A 6 -4.972 3.746 9.592 1.00 0.00 C ATOM 103 CD GLU A 6 -3.653 3.795 10.367 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.935 2.808 10.341 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.381 4.819 10.971 1.00 0.00 O ATOM 0 H GLU A 6 -5.416 5.272 7.433 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.811 2.721 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.606 1.949 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.862 3.386 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.335 4.757 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.734 3.237 10.182 1.00 0.00 H new ATOM 112 N GLU A 7 -7.812 3.312 8.962 1.00 0.00 N ATOM 113 CA GLU A 7 -9.026 2.768 9.644 1.00 0.00 C ATOM 114 C GLU A 7 -10.041 2.286 8.598 1.00 0.00 C ATOM 115 O GLU A 7 -10.690 1.263 8.758 1.00 0.00 O ATOM 116 CB GLU A 7 -9.664 3.863 10.504 1.00 0.00 C ATOM 117 CG GLU A 7 -8.586 4.544 11.350 1.00 0.00 C ATOM 118 CD GLU A 7 -9.247 5.458 12.385 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.067 6.269 11.990 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.920 5.329 13.553 1.00 0.00 O ATOM 0 H GLU A 7 -7.506 4.229 9.287 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.735 1.929 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.159 4.597 9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.430 3.433 11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.974 3.794 11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.920 5.124 10.711 1.00 0.00 H new ATOM 127 N GLU A 8 -10.178 2.999 7.518 1.00 0.00 N ATOM 128 CA GLU A 8 -11.138 2.566 6.479 1.00 0.00 C ATOM 129 C GLU A 8 -10.602 1.294 5.828 1.00 0.00 C ATOM 130 O GLU A 8 -11.322 0.334 5.643 1.00 0.00 O ATOM 131 CB GLU A 8 -11.270 3.672 5.443 1.00 0.00 C ATOM 132 CG GLU A 8 -12.151 4.804 5.991 1.00 0.00 C ATOM 133 CD GLU A 8 -13.609 4.342 6.041 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.898 3.294 5.487 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.412 5.045 6.634 1.00 0.00 O ATOM 0 H GLU A 8 -9.668 3.858 7.314 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.117 2.366 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.284 4.060 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.705 3.273 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.815 5.090 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.060 5.687 5.359 1.00 0.00 H new ATOM 142 N ASP A 9 -9.333 1.273 5.491 1.00 0.00 N ATOM 143 CA ASP A 9 -8.743 0.047 4.860 1.00 0.00 C ATOM 144 C ASP A 9 -9.182 -1.186 5.657 1.00 0.00 C ATOM 145 O ASP A 9 -9.285 -2.279 5.133 1.00 0.00 O ATOM 146 CB ASP A 9 -7.213 0.142 4.858 1.00 0.00 C ATOM 147 CG ASP A 9 -6.618 -1.166 4.333 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.122 -1.667 3.341 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.674 -1.646 4.935 1.00 0.00 O ATOM 0 H ASP A 9 -8.683 2.048 5.625 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.092 -0.035 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.891 0.976 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.850 0.340 5.866 1.00 0.00 H new ATOM 154 N LEU A 10 -9.468 -1.011 6.918 1.00 0.00 N ATOM 155 CA LEU A 10 -9.933 -2.162 7.739 1.00 0.00 C ATOM 156 C LEU A 10 -11.383 -2.445 7.348 1.00 0.00 C ATOM 157 O LEU A 10 -11.792 -3.581 7.186 1.00 0.00 O ATOM 158 CB LEU A 10 -9.839 -1.818 9.238 1.00 0.00 C ATOM 159 CG LEU A 10 -8.601 -0.959 9.494 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.459 -0.700 10.994 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.347 -1.671 8.971 1.00 0.00 C ATOM 0 H LEU A 10 -9.400 -0.122 7.414 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.311 -3.039 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.735 -1.285 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.787 -2.733 9.828 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.712 -0.010 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.576 -0.087 11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.344 -0.178 11.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.356 -1.650 11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.471 -1.050 9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.231 -2.626 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.447 -1.843 7.899 1.00 0.00 H new ATOM 173 N LYS A 11 -12.161 -1.409 7.163 1.00 0.00 N ATOM 174 CA LYS A 11 -13.573 -1.626 6.751 1.00 0.00 C ATOM 175 C LYS A 11 -13.554 -2.366 5.412 1.00 0.00 C ATOM 176 O LYS A 11 -14.322 -3.273 5.181 1.00 0.00 O ATOM 177 CB LYS A 11 -14.299 -0.270 6.609 1.00 0.00 C ATOM 178 CG LYS A 11 -14.900 0.155 7.954 1.00 0.00 C ATOM 179 CD LYS A 11 -13.788 0.320 8.992 1.00 0.00 C ATOM 180 CE LYS A 11 -14.379 0.875 10.289 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.380 -0.086 10.831 1.00 0.00 N ATOM 0 H LYS A 11 -11.881 -0.435 7.279 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.107 -2.212 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.600 0.490 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.087 -0.348 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.444 1.092 7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.618 -0.591 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.307 -0.640 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.019 0.993 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.587 1.042 11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.850 1.840 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.580 0.145 11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.258 -0.022 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.001 -1.053 10.770 1.00 0.00 H new ATOM 195 N LEU A 12 -12.659 -1.997 4.534 1.00 0.00 N ATOM 196 CA LEU A 12 -12.572 -2.689 3.219 1.00 0.00 C ATOM 197 C LEU A 12 -12.451 -4.193 3.463 1.00 0.00 C ATOM 198 O LEU A 12 -13.143 -4.981 2.867 1.00 0.00 O ATOM 199 CB LEU A 12 -11.331 -2.187 2.457 1.00 0.00 C ATOM 200 CG LEU A 12 -11.671 -0.940 1.632 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.119 0.189 2.561 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.428 -0.501 0.854 1.00 0.00 C ATOM 0 H LEU A 12 -11.984 -1.245 4.673 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.463 -2.481 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.533 -1.956 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.958 -2.973 1.801 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.479 -1.171 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.359 1.073 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.002 -0.126 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.316 0.427 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.662 0.386 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.624 -0.270 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.112 -1.305 0.190 1.00 0.00 H new ATOM 214 N GLN A 13 -11.578 -4.608 4.334 1.00 0.00 N ATOM 215 CA GLN A 13 -11.436 -6.070 4.573 1.00 0.00 C ATOM 216 C GLN A 13 -12.812 -6.668 4.887 1.00 0.00 C ATOM 217 O GLN A 13 -13.132 -7.757 4.459 1.00 0.00 O ATOM 218 CB GLN A 13 -10.498 -6.296 5.767 1.00 0.00 C ATOM 219 CG GLN A 13 -10.146 -7.788 5.900 1.00 0.00 C ATOM 220 CD GLN A 13 -11.325 -8.554 6.508 1.00 0.00 C ATOM 221 OE1 GLN A 13 -11.711 -8.303 7.633 1.00 0.00 O ATOM 222 NE2 GLN A 13 -11.916 -9.482 5.808 1.00 0.00 N ATOM 0 H GLN A 13 -10.964 -4.008 4.885 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.024 -6.550 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.587 -5.711 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.974 -5.945 6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.900 -8.200 4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.263 -7.907 6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.592 -9.693 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.702 -9.997 6.204 1.00 0.00 H new ATOM 231 N GLN A 14 -13.633 -5.967 5.621 1.00 0.00 N ATOM 232 CA GLN A 14 -14.987 -6.519 5.956 1.00 0.00 C ATOM 233 C GLN A 14 -15.985 -6.307 4.810 1.00 0.00 C ATOM 234 O GLN A 14 -16.566 -7.244 4.303 1.00 0.00 O ATOM 235 CB GLN A 14 -15.531 -5.820 7.193 1.00 0.00 C ATOM 236 CG GLN A 14 -14.497 -5.883 8.319 1.00 0.00 C ATOM 237 CD GLN A 14 -15.068 -5.219 9.573 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.519 -4.092 9.528 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.068 -5.876 10.701 1.00 0.00 N ATOM 0 H GLN A 14 -13.432 -5.043 6.003 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.870 -7.589 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.767 -4.781 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.459 -6.294 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.236 -6.920 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.580 -5.380 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.690 -6.822 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.446 -5.443 11.543 1.00 0.00 H new ATOM 248 N LEU A 15 -16.209 -5.083 4.412 1.00 0.00 N ATOM 249 CA LEU A 15 -17.189 -4.823 3.320 1.00 0.00 C ATOM 250 C LEU A 15 -16.794 -5.655 2.105 1.00 0.00 C ATOM 251 O LEU A 15 -17.588 -6.391 1.555 1.00 0.00 O ATOM 252 CB LEU A 15 -17.180 -3.322 2.965 1.00 0.00 C ATOM 253 CG LEU A 15 -18.089 -2.544 3.926 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.650 -2.787 5.373 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.997 -1.049 3.613 1.00 0.00 C ATOM 0 H LEU A 15 -15.756 -4.254 4.796 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.194 -5.098 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.163 -2.934 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.519 -3.182 1.939 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.117 -2.885 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.300 -2.231 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.716 -3.851 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.621 -2.452 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.642 -0.494 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.967 -0.714 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.317 -0.872 2.586 1.00 0.00 H new ATOM 267 N VAL A 16 -15.567 -5.551 1.695 1.00 0.00 N ATOM 268 CA VAL A 16 -15.103 -6.336 0.526 1.00 0.00 C ATOM 269 C VAL A 16 -15.423 -7.814 0.764 1.00 0.00 C ATOM 270 O VAL A 16 -15.801 -8.521 -0.145 1.00 0.00 O ATOM 271 CB VAL A 16 -13.594 -6.147 0.340 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.144 -6.881 -0.928 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.257 -4.640 0.217 1.00 0.00 C ATOM 0 H VAL A 16 -14.861 -4.952 2.122 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.610 -5.993 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.072 -6.555 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.071 -6.749 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.369 -7.943 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.671 -6.474 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.182 -4.517 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.778 -4.220 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.573 -4.121 1.122 1.00 0.00 H new ATOM 283 N MET A 17 -15.294 -8.291 1.980 1.00 0.00 N ATOM 284 CA MET A 17 -15.620 -9.716 2.233 1.00 0.00 C ATOM 285 C MET A 17 -17.080 -9.964 1.844 1.00 0.00 C ATOM 286 O MET A 17 -17.426 -11.004 1.320 1.00 0.00 O ATOM 287 CB MET A 17 -15.419 -10.019 3.723 1.00 0.00 C ATOM 288 CG MET A 17 -15.378 -11.529 3.962 1.00 0.00 C ATOM 289 SD MET A 17 -17.041 -12.223 3.792 1.00 0.00 S ATOM 290 CE MET A 17 -16.626 -13.923 4.250 1.00 0.00 C ATOM 0 H MET A 17 -14.981 -7.759 2.792 1.00 0.00 H new ATOM 0 HA MET A 17 -14.971 -10.364 1.644 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.491 -9.565 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 17 -16.228 -9.575 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.703 -12.001 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.987 -11.738 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.524 -14.540 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.885 -14.317 3.554 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.218 -13.938 5.261 1.00 0.00 H new ATOM 300 N ARG A 18 -17.941 -9.014 2.100 1.00 0.00 N ATOM 301 CA ARG A 18 -19.378 -9.197 1.746 1.00 0.00 C ATOM 302 C ARG A 18 -19.553 -9.104 0.227 1.00 0.00 C ATOM 303 O ARG A 18 -20.356 -9.803 -0.357 1.00 0.00 O ATOM 304 CB ARG A 18 -20.211 -8.107 2.423 1.00 0.00 C ATOM 305 CG ARG A 18 -21.695 -8.345 2.134 1.00 0.00 C ATOM 306 CD ARG A 18 -22.540 -7.393 2.983 1.00 0.00 C ATOM 307 NE ARG A 18 -23.961 -7.457 2.535 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.886 -6.824 3.203 1.00 0.00 C ATOM 309 NH1 ARG A 18 -24.568 -6.134 4.265 1.00 0.00 N ATOM 310 NH2 ARG A 18 -26.129 -6.881 2.810 1.00 0.00 N ATOM 0 H ARG A 18 -17.711 -8.122 2.538 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.712 -10.177 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -20.033 -8.114 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.911 -7.125 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.900 -8.185 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.958 -9.379 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.467 -7.665 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.164 -6.374 2.890 1.00 0.00 H new ATOM 0 HE ARG A 18 -24.210 -7.996 1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.596 -6.090 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -25.291 -5.639 4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -26.377 -7.420 1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.852 -6.386 3.332 1.00 0.00 H new ATOM 324 N TYR A 19 -18.808 -8.242 -0.417 1.00 0.00 N ATOM 325 CA TYR A 19 -18.925 -8.093 -1.901 1.00 0.00 C ATOM 326 C TYR A 19 -17.893 -8.989 -2.586 1.00 0.00 C ATOM 327 O TYR A 19 -17.794 -9.031 -3.797 1.00 0.00 O ATOM 328 CB TYR A 19 -18.664 -6.633 -2.276 1.00 0.00 C ATOM 329 CG TYR A 19 -19.625 -5.746 -1.511 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.986 -5.755 -1.839 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.163 -4.927 -0.471 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.883 -4.950 -1.128 1.00 0.00 C ATOM 333 CE2 TYR A 19 -20.061 -4.120 0.237 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.421 -4.132 -0.091 1.00 0.00 C ATOM 335 OH TYR A 19 -22.308 -3.339 0.609 1.00 0.00 O ATOM 0 H TYR A 19 -18.120 -7.631 0.023 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.925 -8.384 -2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.635 -6.363 -2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.794 -6.491 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.344 -6.384 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.114 -4.919 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.933 -4.960 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.704 -3.488 1.037 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.824 -2.835 1.296 1.00 0.00 H new ATOM 345 N GLY A 20 -17.117 -9.699 -1.817 1.00 0.00 N ATOM 346 CA GLY A 20 -16.082 -10.588 -2.409 1.00 0.00 C ATOM 347 C GLY A 20 -14.930 -9.731 -2.926 1.00 0.00 C ATOM 348 O GLY A 20 -13.841 -9.766 -2.394 1.00 0.00 O ATOM 0 H GLY A 20 -17.156 -9.701 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.720 -11.295 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.510 -11.175 -3.222 1.00 0.00 H new ATOM 352 N ALA A 21 -15.190 -8.959 -3.955 1.00 0.00 N ATOM 353 CA ALA A 21 -14.157 -8.055 -4.568 1.00 0.00 C ATOM 354 C ALA A 21 -14.536 -7.815 -6.040 1.00 0.00 C ATOM 355 O ALA A 21 -13.734 -7.989 -6.936 1.00 0.00 O ATOM 356 CB ALA A 21 -12.751 -8.693 -4.491 1.00 0.00 C ATOM 0 H ALA A 21 -16.102 -8.916 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.131 -7.113 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.021 -8.020 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.488 -8.869 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.751 -9.640 -5.030 1.00 0.00 H new ATOM 362 N LYS A 22 -15.761 -7.431 -6.302 1.00 0.00 N ATOM 363 CA LYS A 22 -16.184 -7.197 -7.725 1.00 0.00 C ATOM 364 C LYS A 22 -17.274 -6.114 -7.816 1.00 0.00 C ATOM 365 O LYS A 22 -17.562 -5.623 -8.890 1.00 0.00 O ATOM 366 CB LYS A 22 -16.723 -8.507 -8.306 1.00 0.00 C ATOM 367 CG LYS A 22 -17.759 -9.110 -7.350 1.00 0.00 C ATOM 368 CD LYS A 22 -18.526 -10.236 -8.055 1.00 0.00 C ATOM 369 CE LYS A 22 -17.542 -11.281 -8.594 1.00 0.00 C ATOM 370 NZ LYS A 22 -16.463 -11.517 -7.593 1.00 0.00 N ATOM 0 H LYS A 22 -16.484 -7.269 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.317 -6.855 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.176 -8.324 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.905 -9.210 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.263 -9.498 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.453 -8.338 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.222 -10.704 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.119 -9.827 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.066 -12.213 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.111 -10.938 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.108 -12.490 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.685 -10.847 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.842 -11.379 -6.635 1.00 0.00 H new ATOM 384 N ASP A 23 -17.876 -5.728 -6.712 1.00 0.00 N ATOM 385 CA ASP A 23 -18.941 -4.670 -6.744 1.00 0.00 C ATOM 386 C ASP A 23 -18.382 -3.394 -6.121 1.00 0.00 C ATOM 387 O ASP A 23 -18.992 -2.782 -5.267 1.00 0.00 O ATOM 388 CB ASP A 23 -20.155 -5.147 -5.939 1.00 0.00 C ATOM 389 CG ASP A 23 -20.497 -6.585 -6.333 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.556 -6.855 -7.521 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.692 -7.393 -5.439 1.00 0.00 O ATOM 0 H ASP A 23 -17.674 -6.103 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.246 -4.476 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.941 -5.093 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -21.008 -4.495 -6.127 1.00 0.00 H new ATOM 396 N TRP A 24 -17.217 -2.997 -6.544 1.00 0.00 N ATOM 397 CA TRP A 24 -16.593 -1.768 -5.983 1.00 0.00 C ATOM 398 C TRP A 24 -17.471 -0.555 -6.286 1.00 0.00 C ATOM 399 O TRP A 24 -17.425 0.442 -5.593 1.00 0.00 O ATOM 400 CB TRP A 24 -15.210 -1.582 -6.605 1.00 0.00 C ATOM 401 CG TRP A 24 -14.399 -2.793 -6.318 1.00 0.00 C ATOM 402 CD1 TRP A 24 -14.223 -3.847 -7.147 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.663 -3.091 -5.112 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.415 -4.777 -6.514 1.00 0.00 N ATOM 405 CE2 TRP A 24 -13.045 -4.351 -5.252 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.478 -2.383 -3.920 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.265 -4.893 -4.233 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.697 -2.919 -2.894 1.00 0.00 C ATOM 409 CH2 TRP A 24 -12.090 -4.172 -3.047 1.00 0.00 C ATOM 0 H TRP A 24 -16.666 -3.473 -7.258 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.495 -1.867 -4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.296 -1.429 -7.681 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.726 -0.696 -6.195 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.642 -3.947 -8.137 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.129 -5.665 -6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.942 -1.416 -3.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.800 -5.860 -4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.560 -2.364 -1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.487 -4.581 -2.250 1.00 0.00 H new ATOM 420 N ILE A 25 -18.276 -0.629 -7.306 1.00 0.00 N ATOM 421 CA ILE A 25 -19.156 0.516 -7.635 1.00 0.00 C ATOM 422 C ILE A 25 -20.142 0.694 -6.489 1.00 0.00 C ATOM 423 O ILE A 25 -20.569 1.786 -6.186 1.00 0.00 O ATOM 424 CB ILE A 25 -19.915 0.224 -8.939 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.410 -1.227 -8.933 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.986 0.437 -10.138 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.398 -1.435 -10.083 1.00 0.00 C ATOM 0 H ILE A 25 -18.361 -1.435 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.568 1.424 -7.771 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.767 0.900 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.567 -1.910 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.890 -1.454 -7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.529 0.229 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.636 1.469 -10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.131 -0.235 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.750 -2.467 -10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.246 -0.762 -9.960 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.903 -1.225 -11.031 1.00 0.00 H new ATOM 439 N ARG A 26 -20.494 -0.378 -5.838 1.00 0.00 N ATOM 440 CA ARG A 26 -21.439 -0.278 -4.703 1.00 0.00 C ATOM 441 C ARG A 26 -20.680 0.250 -3.494 1.00 0.00 C ATOM 442 O ARG A 26 -21.078 1.203 -2.856 1.00 0.00 O ATOM 443 CB ARG A 26 -22.008 -1.662 -4.376 1.00 0.00 C ATOM 444 CG ARG A 26 -22.971 -2.103 -5.479 1.00 0.00 C ATOM 445 CD ARG A 26 -23.674 -3.388 -5.044 1.00 0.00 C ATOM 446 NE ARG A 26 -24.574 -3.859 -6.134 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.422 -4.825 -5.910 1.00 0.00 C ATOM 448 NH1 ARG A 26 -25.484 -5.380 -4.730 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.209 -5.237 -6.866 1.00 0.00 N ATOM 0 H ARG A 26 -20.165 -1.320 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.260 0.391 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.197 -2.384 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.527 -1.634 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.704 -1.320 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.427 -2.268 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.937 -4.156 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -24.249 -3.210 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.527 -3.426 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.869 -5.059 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -26.147 -6.135 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.161 -4.804 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.872 -5.992 -6.691 1.00 0.00 H new ATOM 463 N ILE A 27 -19.585 -0.371 -3.176 1.00 0.00 N ATOM 464 CA ILE A 27 -18.791 0.085 -2.012 1.00 0.00 C ATOM 465 C ILE A 27 -18.420 1.559 -2.193 1.00 0.00 C ATOM 466 O ILE A 27 -18.330 2.310 -1.242 1.00 0.00 O ATOM 467 CB ILE A 27 -17.512 -0.750 -1.900 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.875 -2.238 -1.854 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.770 -0.368 -0.617 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.602 -3.086 -1.935 1.00 0.00 C ATOM 0 H ILE A 27 -19.205 -1.176 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.382 -0.035 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.875 -0.559 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.414 -2.462 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.541 -2.485 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.859 -0.960 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.513 0.691 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.409 -0.562 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.866 -4.143 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.081 -2.871 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.952 -2.848 -1.093 1.00 0.00 H new ATOM 482 N SER A 28 -18.198 1.974 -3.409 1.00 0.00 N ATOM 483 CA SER A 28 -17.825 3.394 -3.659 1.00 0.00 C ATOM 484 C SER A 28 -19.055 4.287 -3.491 1.00 0.00 C ATOM 485 O SER A 28 -18.946 5.445 -3.143 1.00 0.00 O ATOM 486 CB SER A 28 -17.270 3.524 -5.079 1.00 0.00 C ATOM 487 OG SER A 28 -15.972 2.944 -5.128 1.00 0.00 O ATOM 0 H SER A 28 -18.259 1.389 -4.243 1.00 0.00 H new ATOM 0 HA SER A 28 -17.064 3.707 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.931 3.026 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.224 4.573 -5.370 1.00 0.00 H new ATOM 0 HG SER A 28 -16.051 1.972 -5.224 1.00 0.00 H new ATOM 493 N GLN A 29 -20.225 3.761 -3.726 1.00 0.00 N ATOM 494 CA GLN A 29 -21.450 4.597 -3.566 1.00 0.00 C ATOM 495 C GLN A 29 -21.601 4.966 -2.089 1.00 0.00 C ATOM 496 O GLN A 29 -22.010 6.059 -1.751 1.00 0.00 O ATOM 497 CB GLN A 29 -22.682 3.811 -4.049 1.00 0.00 C ATOM 498 CG GLN A 29 -22.763 3.847 -5.590 1.00 0.00 C ATOM 499 CD GLN A 29 -23.424 5.150 -6.053 1.00 0.00 C ATOM 500 OE1 GLN A 29 -23.812 5.275 -7.198 1.00 0.00 O ATOM 501 NE2 GLN A 29 -23.570 6.131 -5.205 1.00 0.00 N ATOM 0 H GLN A 29 -20.387 2.798 -4.019 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.365 5.506 -4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.623 2.779 -3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.588 4.239 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.763 3.766 -6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.334 2.992 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.245 6.027 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.009 7.002 -5.503 1.00 0.00 H new ATOM 510 N LEU A 30 -21.257 4.070 -1.207 1.00 0.00 N ATOM 511 CA LEU A 30 -21.362 4.383 0.244 1.00 0.00 C ATOM 512 C LEU A 30 -20.334 5.464 0.579 1.00 0.00 C ATOM 513 O LEU A 30 -20.621 6.416 1.278 1.00 0.00 O ATOM 514 CB LEU A 30 -21.081 3.117 1.069 1.00 0.00 C ATOM 515 CG LEU A 30 -21.779 1.912 0.431 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.580 0.684 1.324 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.279 2.198 0.279 1.00 0.00 C ATOM 0 H LEU A 30 -20.909 3.137 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.365 4.737 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.007 2.939 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.434 3.253 2.091 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.351 1.725 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.075 -0.177 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.515 0.477 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.009 0.876 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.769 1.337 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.714 2.388 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.420 3.073 -0.356 1.00 0.00 H new ATOM 529 N MET A 31 -19.133 5.314 0.070 1.00 0.00 N ATOM 530 CA MET A 31 -18.045 6.316 0.322 1.00 0.00 C ATOM 531 C MET A 31 -17.621 6.941 -1.008 1.00 0.00 C ATOM 532 O MET A 31 -16.517 6.746 -1.471 1.00 0.00 O ATOM 533 CB MET A 31 -16.845 5.608 0.954 1.00 0.00 C ATOM 534 CG MET A 31 -17.279 4.927 2.253 1.00 0.00 C ATOM 535 SD MET A 31 -17.722 6.186 3.476 1.00 0.00 S ATOM 536 CE MET A 31 -16.069 6.433 4.169 1.00 0.00 C ATOM 0 H MET A 31 -18.856 4.528 -0.518 1.00 0.00 H new ATOM 0 HA MET A 31 -18.407 7.094 0.995 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.439 4.870 0.262 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.050 6.326 1.156 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.129 4.271 2.066 1.00 0.00 H new ATOM 0 HG3 MET A 31 -16.472 4.301 2.635 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.137 7.061 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 31 -15.640 5.468 4.439 1.00 0.00 H new ATOM 0 HE3 MET A 31 -15.433 6.919 3.429 1.00 0.00 H new ATOM 546 N ILE A 32 -18.493 7.690 -1.628 1.00 0.00 N ATOM 547 CA ILE A 32 -18.142 8.325 -2.931 1.00 0.00 C ATOM 548 C ILE A 32 -16.860 9.153 -2.788 1.00 0.00 C ATOM 549 O ILE A 32 -16.360 9.705 -3.749 1.00 0.00 O ATOM 550 CB ILE A 32 -19.299 9.223 -3.410 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.799 10.133 -2.269 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.459 8.343 -3.883 1.00 0.00 C ATOM 553 CD1 ILE A 32 -18.743 11.186 -1.891 1.00 0.00 C ATOM 0 H ILE A 32 -19.434 7.890 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.973 7.541 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.935 9.848 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.719 10.631 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.040 9.526 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.280 8.975 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.124 7.710 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.800 7.717 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.125 11.812 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.832 10.686 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.522 11.808 -2.759 1.00 0.00 H new ATOM 565 N THR A 33 -16.316 9.241 -1.604 1.00 0.00 N ATOM 566 CA THR A 33 -15.064 10.027 -1.419 1.00 0.00 C ATOM 567 C THR A 33 -13.890 9.241 -2.005 1.00 0.00 C ATOM 568 O THR A 33 -12.743 9.614 -1.857 1.00 0.00 O ATOM 569 CB THR A 33 -14.824 10.269 0.074 1.00 0.00 C ATOM 570 OG1 THR A 33 -13.506 10.763 0.265 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.998 8.959 0.842 1.00 0.00 C ATOM 0 H THR A 33 -16.684 8.803 -0.759 1.00 0.00 H new ATOM 0 HA THR A 33 -15.155 10.987 -1.927 1.00 0.00 H new ATOM 0 HB THR A 33 -15.544 10.999 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.021 10.737 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.827 9.134 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.010 8.583 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.281 8.224 0.475 1.00 0.00 H new ATOM 579 N ARG A 34 -14.171 8.148 -2.668 1.00 0.00 N ATOM 580 CA ARG A 34 -13.078 7.319 -3.268 1.00 0.00 C ATOM 581 C ARG A 34 -13.605 6.629 -4.531 1.00 0.00 C ATOM 582 O ARG A 34 -14.790 6.397 -4.669 1.00 0.00 O ATOM 583 CB ARG A 34 -12.633 6.260 -2.241 1.00 0.00 C ATOM 584 CG ARG A 34 -13.724 5.162 -2.080 1.00 0.00 C ATOM 585 CD ARG A 34 -13.813 4.689 -0.622 1.00 0.00 C ATOM 586 NE ARG A 34 -12.463 4.281 -0.136 1.00 0.00 N ATOM 587 CZ ARG A 34 -12.352 3.553 0.944 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.420 3.214 1.615 1.00 0.00 N ATOM 589 NH2 ARG A 34 -11.177 3.167 1.355 1.00 0.00 N ATOM 0 H ARG A 34 -15.114 7.791 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.229 7.950 -3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.696 5.805 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.443 6.736 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.690 5.554 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.493 4.316 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.208 5.488 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.505 3.851 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.628 4.570 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.340 3.517 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.334 2.646 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.342 3.433 0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.093 2.599 2.198 1.00 0.00 H new ATOM 603 N ASN A 35 -12.738 6.293 -5.453 1.00 0.00 N ATOM 604 CA ASN A 35 -13.190 5.610 -6.707 1.00 0.00 C ATOM 605 C ASN A 35 -13.090 4.091 -6.507 1.00 0.00 C ATOM 606 O ASN A 35 -12.259 3.627 -5.755 1.00 0.00 O ATOM 607 CB ASN A 35 -12.288 6.058 -7.873 1.00 0.00 C ATOM 608 CG ASN A 35 -11.958 7.544 -7.718 1.00 0.00 C ATOM 609 OD1 ASN A 35 -10.899 7.897 -7.238 1.00 0.00 O ATOM 610 ND2 ASN A 35 -12.827 8.436 -8.110 1.00 0.00 N ATOM 0 H ASN A 35 -11.734 6.462 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.223 5.873 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.370 5.470 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.791 5.883 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.617 9.429 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.716 8.139 -8.513 1.00 0.00 H new ATOM 617 N PRO A 36 -13.920 3.304 -7.155 1.00 0.00 N ATOM 618 CA PRO A 36 -13.865 1.827 -6.988 1.00 0.00 C ATOM 619 C PRO A 36 -12.440 1.305 -7.209 1.00 0.00 C ATOM 620 O PRO A 36 -12.020 0.333 -6.613 1.00 0.00 O ATOM 621 CB PRO A 36 -14.848 1.273 -8.051 1.00 0.00 C ATOM 622 CG PRO A 36 -15.215 2.438 -8.929 1.00 0.00 C ATOM 623 CD PRO A 36 -14.980 3.705 -8.098 1.00 0.00 C ATOM 0 HA PRO A 36 -14.141 1.512 -5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.384 0.477 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.733 0.847 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.606 2.449 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.255 2.371 -9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.667 4.542 -8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.885 4.017 -7.576 1.00 0.00 H new ATOM 631 N ARG A 37 -11.701 1.956 -8.060 1.00 0.00 N ATOM 632 CA ARG A 37 -10.307 1.523 -8.330 1.00 0.00 C ATOM 633 C ARG A 37 -9.423 1.875 -7.132 1.00 0.00 C ATOM 634 O ARG A 37 -8.410 1.249 -6.892 1.00 0.00 O ATOM 635 CB ARG A 37 -9.784 2.239 -9.578 1.00 0.00 C ATOM 636 CG ARG A 37 -10.718 1.958 -10.757 1.00 0.00 C ATOM 637 CD ARG A 37 -10.268 2.774 -11.970 1.00 0.00 C ATOM 638 NE ARG A 37 -11.304 2.687 -13.039 1.00 0.00 N ATOM 639 CZ ARG A 37 -11.042 3.128 -14.239 1.00 0.00 C ATOM 640 NH1 ARG A 37 -9.873 3.645 -14.506 1.00 0.00 N ATOM 641 NH2 ARG A 37 -11.949 3.052 -15.175 1.00 0.00 N ATOM 0 H ARG A 37 -12.007 2.776 -8.584 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.286 0.445 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.723 3.312 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.775 1.898 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.709 0.895 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.743 2.216 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.111 3.814 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.315 2.398 -12.341 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.217 2.283 -12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.163 3.705 -13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.670 3.989 -15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.862 2.648 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.744 3.397 -16.113 1.00 0.00 H new ATOM 655 N GLN A 38 -9.787 2.886 -6.386 1.00 0.00 N ATOM 656 CA GLN A 38 -8.953 3.281 -5.218 1.00 0.00 C ATOM 657 C GLN A 38 -9.028 2.211 -4.125 1.00 0.00 C ATOM 658 O GLN A 38 -8.024 1.849 -3.545 1.00 0.00 O ATOM 659 CB GLN A 38 -9.438 4.621 -4.660 1.00 0.00 C ATOM 660 CG GLN A 38 -9.080 5.749 -5.636 1.00 0.00 C ATOM 661 CD GLN A 38 -7.574 6.015 -5.589 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.819 5.437 -6.345 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.101 6.872 -4.724 1.00 0.00 N ATOM 0 H GLN A 38 -10.623 3.451 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.918 3.380 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.516 4.592 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.980 4.809 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.379 5.476 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.627 6.655 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.734 7.358 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.098 7.055 -4.684 1.00 0.00 H new ATOM 672 N CYS A 39 -10.194 1.687 -3.830 1.00 0.00 N ATOM 673 CA CYS A 39 -10.267 0.645 -2.771 1.00 0.00 C ATOM 674 C CYS A 39 -9.753 -0.669 -3.344 1.00 0.00 C ATOM 675 O CYS A 39 -9.183 -1.484 -2.647 1.00 0.00 O ATOM 676 CB CYS A 39 -11.712 0.467 -2.320 1.00 0.00 C ATOM 677 SG CYS A 39 -12.373 2.052 -1.770 1.00 0.00 S ATOM 0 H CYS A 39 -11.080 1.933 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.661 0.946 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.314 0.075 -3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.764 -0.261 -1.510 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.465 2.972 -1.907 1.00 0.00 H new ATOM 683 N ARG A 40 -9.948 -0.879 -4.616 1.00 0.00 N ATOM 684 CA ARG A 40 -9.466 -2.142 -5.234 1.00 0.00 C ATOM 685 C ARG A 40 -7.957 -2.257 -5.015 1.00 0.00 C ATOM 686 O ARG A 40 -7.457 -3.270 -4.567 1.00 0.00 O ATOM 687 CB ARG A 40 -9.769 -2.121 -6.738 1.00 0.00 C ATOM 688 CG ARG A 40 -9.181 -3.365 -7.433 1.00 0.00 C ATOM 689 CD ARG A 40 -9.694 -4.652 -6.769 1.00 0.00 C ATOM 690 NE ARG A 40 -9.551 -5.787 -7.725 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.352 -5.882 -8.750 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.279 -4.984 -8.942 1.00 0.00 N ATOM 693 NH2 ARG A 40 -10.227 -6.877 -9.586 1.00 0.00 N ATOM 0 H ARG A 40 -10.418 -0.233 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.969 -2.995 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.847 -2.086 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.352 -1.218 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.454 -3.361 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.093 -3.334 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.131 -4.855 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.738 -4.535 -6.479 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.826 -6.490 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.378 -4.206 -8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.904 -5.060 -9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.503 -7.580 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.853 -6.951 -10.388 1.00 0.00 H new ATOM 707 N GLU A 41 -7.229 -1.223 -5.335 1.00 0.00 N ATOM 708 CA GLU A 41 -5.751 -1.264 -5.155 1.00 0.00 C ATOM 709 C GLU A 41 -5.422 -1.607 -3.703 1.00 0.00 C ATOM 710 O GLU A 41 -4.390 -2.173 -3.408 1.00 0.00 O ATOM 711 CB GLU A 41 -5.159 0.103 -5.503 1.00 0.00 C ATOM 712 CG GLU A 41 -5.285 0.346 -7.008 1.00 0.00 C ATOM 713 CD GLU A 41 -4.896 1.792 -7.326 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.289 2.670 -6.575 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.211 1.996 -8.315 1.00 0.00 O ATOM 0 H GLU A 41 -7.595 -0.350 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.326 -2.023 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.679 0.887 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.112 0.144 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.641 -0.343 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.307 0.153 -7.334 1.00 0.00 H new ATOM 722 N ARG A 42 -6.292 -1.268 -2.793 1.00 0.00 N ATOM 723 CA ARG A 42 -6.026 -1.574 -1.358 1.00 0.00 C ATOM 724 C ARG A 42 -6.138 -3.092 -1.143 1.00 0.00 C ATOM 725 O ARG A 42 -5.317 -3.702 -0.488 1.00 0.00 O ATOM 726 CB ARG A 42 -7.058 -0.811 -0.491 1.00 0.00 C ATOM 727 CG ARG A 42 -6.450 -0.392 0.863 1.00 0.00 C ATOM 728 CD ARG A 42 -5.426 0.750 0.689 1.00 0.00 C ATOM 729 NE ARG A 42 -5.328 1.517 1.964 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.367 2.383 2.134 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.489 2.579 1.188 1.00 0.00 N ATOM 732 NH2 ARG A 42 -4.284 3.055 3.250 1.00 0.00 N ATOM 0 H ARG A 42 -7.175 -0.793 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.023 -1.257 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.403 0.073 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.931 -1.442 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.244 -0.071 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.965 -1.251 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.451 0.343 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.732 1.409 -0.123 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.013 1.364 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.554 2.055 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.738 3.256 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.970 2.903 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.533 3.732 3.383 1.00 0.00 H new ATOM 746 N TRP A 43 -7.150 -3.697 -1.701 1.00 0.00 N ATOM 747 CA TRP A 43 -7.345 -5.171 -1.555 1.00 0.00 C ATOM 748 C TRP A 43 -6.031 -5.913 -1.790 1.00 0.00 C ATOM 749 O TRP A 43 -5.563 -6.625 -0.933 1.00 0.00 O ATOM 750 CB TRP A 43 -8.362 -5.602 -2.619 1.00 0.00 C ATOM 751 CG TRP A 43 -8.729 -7.050 -2.474 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.519 -7.994 -3.422 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.386 -7.731 -1.361 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.000 -9.206 -2.964 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.536 -9.099 -1.697 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.855 -7.306 -0.104 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -10.129 -10.008 -0.820 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.453 -8.220 0.780 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.588 -9.567 0.423 1.00 0.00 C ATOM 0 H TRP A 43 -7.862 -3.227 -2.261 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.694 -5.405 -0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.259 -4.988 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.947 -5.428 -3.612 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.051 -7.827 -4.381 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.963 -10.074 -3.498 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.755 -6.270 0.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.232 -11.046 -1.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.811 -7.881 1.741 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.047 -10.264 1.108 1.00 0.00 H new ATOM 770 N ASN A 44 -5.427 -5.748 -2.930 1.00 0.00 N ATOM 771 CA ASN A 44 -4.150 -6.473 -3.206 1.00 0.00 C ATOM 772 C ASN A 44 -2.978 -5.851 -2.441 1.00 0.00 C ATOM 773 O ASN A 44 -2.145 -6.551 -1.898 1.00 0.00 O ATOM 774 CB ASN A 44 -3.861 -6.425 -4.710 1.00 0.00 C ATOM 775 CG ASN A 44 -4.025 -4.991 -5.218 1.00 0.00 C ATOM 776 OD1 ASN A 44 -3.200 -4.141 -4.947 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.062 -4.686 -5.948 1.00 0.00 N ATOM 0 H ASN A 44 -5.757 -5.145 -3.684 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.261 -7.505 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.849 -6.778 -4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.540 -7.090 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.181 -3.733 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.754 -5.400 -6.175 1.00 0.00 H new ATOM 784 N ASN A 45 -2.879 -4.551 -2.412 1.00 0.00 N ATOM 785 CA ASN A 45 -1.729 -3.908 -1.705 1.00 0.00 C ATOM 786 C ASN A 45 -1.984 -3.816 -0.200 1.00 0.00 C ATOM 787 O ASN A 45 -1.308 -3.081 0.492 1.00 0.00 O ATOM 788 CB ASN A 45 -1.519 -2.499 -2.263 1.00 0.00 C ATOM 789 CG ASN A 45 -1.208 -2.582 -3.758 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.300 -3.279 -4.164 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.930 -1.895 -4.602 1.00 0.00 N ATOM 0 H ASN A 45 -3.540 -3.906 -2.844 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.842 -4.520 -1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.412 -1.895 -2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.701 -2.007 -1.738 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.731 -1.944 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.693 -1.309 -4.262 1.00 0.00 H new ATOM 798 N TYR A 46 -2.940 -4.540 0.333 1.00 0.00 N ATOM 799 CA TYR A 46 -3.183 -4.451 1.811 1.00 0.00 C ATOM 800 C TYR A 46 -3.760 -5.768 2.349 1.00 0.00 C ATOM 801 O TYR A 46 -3.219 -6.342 3.273 1.00 0.00 O ATOM 802 CB TYR A 46 -4.133 -3.267 2.089 1.00 0.00 C ATOM 803 CG TYR A 46 -3.738 -2.553 3.377 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.546 -3.289 4.555 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.568 -1.159 3.392 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.186 -2.638 5.740 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.207 -0.510 4.579 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.017 -1.249 5.752 1.00 0.00 C ATOM 809 OH TYR A 46 -2.662 -0.607 6.921 1.00 0.00 O ATOM 0 H TYR A 46 -3.552 -5.177 -0.178 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.239 -4.280 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.103 -2.566 1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.159 -3.627 2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.676 -4.361 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.716 -0.587 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.039 -3.208 6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.075 0.562 4.589 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.585 0.356 6.755 1.00 0.00 H new ATOM 819 N ILE A 47 -4.844 -6.256 1.797 1.00 0.00 N ATOM 820 CA ILE A 47 -5.432 -7.543 2.305 1.00 0.00 C ATOM 821 C ILE A 47 -6.036 -8.367 1.153 1.00 0.00 C ATOM 822 O ILE A 47 -6.946 -7.961 0.459 1.00 0.00 O ATOM 823 CB ILE A 47 -6.477 -7.288 3.438 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.838 -6.762 2.920 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.919 -6.286 4.457 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.699 -5.375 2.289 1.00 0.00 C ATOM 0 H ILE A 47 -5.347 -5.825 1.021 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.622 -8.128 2.741 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.657 -8.258 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.243 -7.458 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.550 -6.718 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.656 -6.116 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.006 -6.686 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.698 -5.343 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.673 -5.036 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.318 -4.674 3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.006 -5.425 1.449 1.00 0.00 H new ATOM 838 N ASN A 48 -5.505 -9.545 0.966 1.00 0.00 N ATOM 839 CA ASN A 48 -5.990 -10.479 -0.098 1.00 0.00 C ATOM 840 C ASN A 48 -5.147 -11.771 -0.056 1.00 0.00 C ATOM 841 O ASN A 48 -5.689 -12.859 -0.060 1.00 0.00 O ATOM 842 CB ASN A 48 -5.932 -9.797 -1.503 1.00 0.00 C ATOM 843 CG ASN A 48 -5.044 -10.568 -2.496 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.394 -11.646 -2.934 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.903 -10.051 -2.869 1.00 0.00 N ATOM 0 H ASN A 48 -4.732 -9.911 1.522 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.033 -10.736 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.941 -9.719 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.553 -8.781 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.307 -10.552 -3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.609 -9.146 -2.502 1.00 0.00 H new ATOM 852 N PRO A 49 -3.832 -11.667 -0.040 1.00 0.00 N ATOM 853 CA PRO A 49 -2.927 -12.840 -0.026 1.00 0.00 C ATOM 854 C PRO A 49 -2.360 -13.133 1.373 1.00 0.00 C ATOM 855 O PRO A 49 -1.680 -14.117 1.572 1.00 0.00 O ATOM 856 CB PRO A 49 -1.817 -12.377 -0.986 1.00 0.00 C ATOM 857 CG PRO A 49 -1.757 -10.865 -0.828 1.00 0.00 C ATOM 858 CD PRO A 49 -3.023 -10.441 -0.037 1.00 0.00 C ATOM 0 HA PRO A 49 -3.421 -13.769 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.862 -12.837 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.044 -12.657 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.853 -10.568 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.729 -10.376 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.779 -10.120 0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.542 -9.612 -0.518 1.00 0.00 H new ATOM 866 N ALA A 50 -2.617 -12.278 2.331 1.00 0.00 N ATOM 867 CA ALA A 50 -2.075 -12.499 3.706 1.00 0.00 C ATOM 868 C ALA A 50 -0.569 -12.231 3.673 1.00 0.00 C ATOM 869 O ALA A 50 0.242 -13.079 3.989 1.00 0.00 O ATOM 870 CB ALA A 50 -2.368 -13.944 4.168 1.00 0.00 C ATOM 0 H ALA A 50 -3.180 -11.435 2.219 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.552 -11.823 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.968 -14.093 5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.445 -14.112 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.897 -14.648 3.482 1.00 0.00 H new ATOM 876 N LEU A 51 -0.200 -11.044 3.274 1.00 0.00 N ATOM 877 CA LEU A 51 1.245 -10.671 3.186 1.00 0.00 C ATOM 878 C LEU A 51 1.689 -10.037 4.510 1.00 0.00 C ATOM 879 O LEU A 51 2.573 -9.204 4.546 1.00 0.00 O ATOM 880 CB LEU A 51 1.448 -9.683 2.016 1.00 0.00 C ATOM 881 CG LEU A 51 0.232 -8.751 1.871 1.00 0.00 C ATOM 882 CD1 LEU A 51 -0.007 -7.983 3.179 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.487 -7.758 0.729 1.00 0.00 C ATOM 0 H LEU A 51 -0.847 -10.304 3.001 1.00 0.00 H new ATOM 0 HA LEU A 51 1.849 -11.560 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.347 -9.091 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.601 -10.236 1.089 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.652 -9.349 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.870 -7.327 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.194 -8.690 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.873 -7.386 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.373 -7.096 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.375 -7.167 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.640 -8.305 -0.201 1.00 0.00 H new ATOM 895 N ARG A 52 1.086 -10.432 5.596 1.00 0.00 N ATOM 896 CA ARG A 52 1.477 -9.858 6.913 1.00 0.00 C ATOM 897 C ARG A 52 2.970 -10.098 7.154 1.00 0.00 C ATOM 898 O ARG A 52 3.528 -9.651 8.136 1.00 0.00 O ATOM 899 CB ARG A 52 0.665 -10.529 8.023 1.00 0.00 C ATOM 900 CG ARG A 52 0.922 -12.039 8.002 1.00 0.00 C ATOM 901 CD ARG A 52 -0.052 -12.752 8.945 1.00 0.00 C ATOM 902 NE ARG A 52 0.317 -12.457 10.366 1.00 0.00 N ATOM 903 CZ ARG A 52 -0.170 -11.409 10.984 1.00 0.00 C ATOM 904 NH1 ARG A 52 -0.985 -10.596 10.367 1.00 0.00 N ATOM 905 NH2 ARG A 52 0.163 -11.175 12.224 1.00 0.00 N ATOM 0 H ARG A 52 0.340 -11.127 5.629 1.00 0.00 H new ATOM 0 HA ARG A 52 1.278 -8.786 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.943 -10.115 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.397 -10.328 7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.805 -12.422 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.949 -12.245 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.072 -12.422 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.025 -13.827 8.767 1.00 0.00 H new ATOM 0 HE ARG A 52 0.956 -13.080 10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.247 -10.775 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.360 -9.782 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.800 -11.807 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.214 -10.360 12.708 1.00 0.00 H new ATOM 919 N THR A 53 3.624 -10.804 6.266 1.00 0.00 N ATOM 920 CA THR A 53 5.083 -11.075 6.449 1.00 0.00 C ATOM 921 C THR A 53 5.731 -11.375 5.093 1.00 0.00 C ATOM 922 O THR A 53 6.168 -12.480 4.837 1.00 0.00 O ATOM 923 CB THR A 53 5.263 -12.279 7.377 1.00 0.00 C ATOM 924 OG1 THR A 53 4.457 -12.107 8.535 1.00 0.00 O ATOM 925 CG2 THR A 53 6.731 -12.399 7.789 1.00 0.00 C ATOM 0 H THR A 53 3.211 -11.204 5.423 1.00 0.00 H new ATOM 0 HA THR A 53 5.559 -10.198 6.888 1.00 0.00 H new ATOM 0 HB THR A 53 4.962 -13.187 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.332 -11.150 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.855 -13.257 8.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.348 -12.533 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.038 -11.493 8.311 1.00 0.00 H new ATOM 933 N ASP A 54 5.799 -10.391 4.225 1.00 0.00 N ATOM 934 CA ASP A 54 6.425 -10.589 2.873 1.00 0.00 C ATOM 935 C ASP A 54 7.432 -9.466 2.623 1.00 0.00 C ATOM 936 O ASP A 54 7.354 -8.769 1.634 1.00 0.00 O ATOM 937 CB ASP A 54 5.335 -10.541 1.799 1.00 0.00 C ATOM 938 CG ASP A 54 5.947 -10.868 0.436 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.038 -11.414 0.414 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.315 -10.566 -0.563 1.00 0.00 O ATOM 0 H ASP A 54 5.445 -9.450 4.396 1.00 0.00 H new ATOM 0 HA ASP A 54 6.930 -11.554 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.545 -11.254 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.876 -9.553 1.776 1.00 0.00 H new ATOM 945 N PRO A 55 8.372 -9.290 3.518 1.00 0.00 N ATOM 946 CA PRO A 55 9.409 -8.221 3.395 1.00 0.00 C ATOM 947 C PRO A 55 10.346 -8.454 2.205 1.00 0.00 C ATOM 948 O PRO A 55 10.783 -9.557 1.941 1.00 0.00 O ATOM 949 CB PRO A 55 10.172 -8.301 4.731 1.00 0.00 C ATOM 950 CG PRO A 55 9.982 -9.711 5.176 1.00 0.00 C ATOM 951 CD PRO A 55 8.564 -10.087 4.744 1.00 0.00 C ATOM 0 HA PRO A 55 8.969 -7.241 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.228 -8.063 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.773 -7.596 5.460 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.720 -10.370 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.100 -9.801 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.470 -11.156 4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.829 -9.836 5.508 1.00 0.00 H new ATOM 959 N TRP A 56 10.650 -7.409 1.491 1.00 0.00 N ATOM 960 CA TRP A 56 11.559 -7.526 0.309 1.00 0.00 C ATOM 961 C TRP A 56 13.018 -7.563 0.786 1.00 0.00 C ATOM 962 O TRP A 56 13.289 -7.726 1.960 1.00 0.00 O ATOM 963 CB TRP A 56 11.323 -6.340 -0.659 1.00 0.00 C ATOM 964 CG TRP A 56 10.809 -5.135 0.072 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.538 -4.975 0.506 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.516 -3.914 0.432 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.416 -3.735 1.106 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.610 -3.041 1.084 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.842 -3.483 0.258 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.009 -1.784 1.541 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.244 -2.224 0.715 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.331 -1.373 1.353 1.00 0.00 C ATOM 0 H TRP A 56 10.306 -6.466 1.674 1.00 0.00 H new ATOM 0 HA TRP A 56 11.345 -8.450 -0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.255 -6.090 -1.166 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.610 -6.633 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.745 -5.700 0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.552 -3.378 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.556 -4.129 -0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.302 -1.135 2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.266 -1.905 0.575 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.649 -0.401 1.699 1.00 0.00 H new ATOM 983 N SER A 57 13.958 -7.436 -0.127 1.00 0.00 N ATOM 984 CA SER A 57 15.415 -7.487 0.240 1.00 0.00 C ATOM 985 C SER A 57 16.150 -6.295 -0.415 1.00 0.00 C ATOM 986 O SER A 57 15.550 -5.511 -1.124 1.00 0.00 O ATOM 987 CB SER A 57 15.980 -8.838 -0.259 1.00 0.00 C ATOM 988 OG SER A 57 14.894 -9.679 -0.626 1.00 0.00 O ATOM 0 H SER A 57 13.775 -7.298 -1.121 1.00 0.00 H new ATOM 0 HA SER A 57 15.555 -7.413 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.640 -8.680 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.576 -9.310 0.522 1.00 0.00 H new ATOM 0 HG SER A 57 15.239 -10.539 -0.946 1.00 0.00 H new ATOM 994 N PRO A 58 17.437 -6.158 -0.173 1.00 0.00 N ATOM 995 CA PRO A 58 18.262 -5.040 -0.741 1.00 0.00 C ATOM 996 C PRO A 58 18.049 -4.818 -2.249 1.00 0.00 C ATOM 997 O PRO A 58 18.452 -3.811 -2.796 1.00 0.00 O ATOM 998 CB PRO A 58 19.704 -5.482 -0.450 1.00 0.00 C ATOM 999 CG PRO A 58 19.589 -6.281 0.803 1.00 0.00 C ATOM 1000 CD PRO A 58 18.268 -7.048 0.671 1.00 0.00 C ATOM 0 HA PRO A 58 17.992 -4.082 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.112 -6.077 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.365 -4.626 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.431 -6.964 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.584 -5.636 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.414 -8.022 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.807 -7.225 1.643 1.00 0.00 H new ATOM 1008 N GLU A 59 17.435 -5.751 -2.924 1.00 0.00 N ATOM 1009 CA GLU A 59 17.217 -5.596 -4.384 1.00 0.00 C ATOM 1010 C GLU A 59 16.107 -4.578 -4.613 1.00 0.00 C ATOM 1011 O GLU A 59 16.238 -3.691 -5.429 1.00 0.00 O ATOM 1012 CB GLU A 59 16.847 -6.954 -5.002 1.00 0.00 C ATOM 1013 CG GLU A 59 15.435 -7.372 -4.572 1.00 0.00 C ATOM 1014 CD GLU A 59 15.217 -8.856 -4.878 1.00 0.00 C ATOM 1015 OE1 GLU A 59 16.066 -9.648 -4.505 1.00 0.00 O ATOM 1016 OE2 GLU A 59 14.203 -9.174 -5.479 1.00 0.00 O ATOM 0 H GLU A 59 17.075 -6.617 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 59 18.130 -5.241 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.899 -6.892 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.567 -7.710 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.300 -7.188 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.692 -6.770 -5.096 1.00 0.00 H new ATOM 1023 N GLU A 60 15.023 -4.663 -3.879 1.00 0.00 N ATOM 1024 CA GLU A 60 13.951 -3.655 -4.065 1.00 0.00 C ATOM 1025 C GLU A 60 14.422 -2.369 -3.398 1.00 0.00 C ATOM 1026 O GLU A 60 13.979 -1.297 -3.722 1.00 0.00 O ATOM 1027 CB GLU A 60 12.642 -4.125 -3.428 1.00 0.00 C ATOM 1028 CG GLU A 60 12.294 -5.537 -3.907 1.00 0.00 C ATOM 1029 CD GLU A 60 12.221 -5.563 -5.435 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.870 -4.546 -6.010 1.00 0.00 O ATOM 1031 OE2 GLU A 60 12.514 -6.602 -6.005 1.00 0.00 O ATOM 0 H GLU A 60 14.842 -5.376 -3.173 1.00 0.00 H new ATOM 0 HA GLU A 60 13.760 -3.500 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.734 -4.115 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.837 -3.437 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.046 -6.245 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.340 -5.850 -3.483 1.00 0.00 H new ATOM 1038 N ASP A 61 15.342 -2.475 -2.473 1.00 0.00 N ATOM 1039 CA ASP A 61 15.863 -1.252 -1.801 1.00 0.00 C ATOM 1040 C ASP A 61 16.600 -0.411 -2.842 1.00 0.00 C ATOM 1041 O ASP A 61 16.274 0.734 -3.083 1.00 0.00 O ATOM 1042 CB ASP A 61 16.838 -1.650 -0.683 1.00 0.00 C ATOM 1043 CG ASP A 61 17.091 -0.449 0.233 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.150 0.280 0.496 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.223 -0.279 0.654 1.00 0.00 O ATOM 0 H ASP A 61 15.752 -3.354 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 61 15.040 -0.684 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.427 -2.479 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.778 -1.996 -1.113 1.00 0.00 H new ATOM 1050 N MET A 62 17.592 -0.986 -3.469 1.00 0.00 N ATOM 1051 CA MET A 62 18.350 -0.241 -4.505 1.00 0.00 C ATOM 1052 C MET A 62 17.398 0.129 -5.638 1.00 0.00 C ATOM 1053 O MET A 62 17.496 1.189 -6.224 1.00 0.00 O ATOM 1054 CB MET A 62 19.478 -1.121 -5.048 1.00 0.00 C ATOM 1055 CG MET A 62 20.460 -1.447 -3.921 1.00 0.00 C ATOM 1056 SD MET A 62 21.360 0.052 -3.452 1.00 0.00 S ATOM 1057 CE MET A 62 22.655 -0.756 -2.481 1.00 0.00 C ATOM 0 H MET A 62 17.907 -1.942 -3.305 1.00 0.00 H new ATOM 0 HA MET A 62 18.780 0.662 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.067 -2.041 -5.464 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.996 -0.608 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.923 -1.846 -3.060 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.159 -2.217 -4.245 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.338 -0.003 -2.087 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.202 -1.303 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 62 23.207 -1.449 -3.116 1.00 0.00 H new ATOM 1067 N LEU A 63 16.464 -0.733 -5.948 1.00 0.00 N ATOM 1068 CA LEU A 63 15.496 -0.415 -7.042 1.00 0.00 C ATOM 1069 C LEU A 63 14.508 0.637 -6.516 1.00 0.00 C ATOM 1070 O LEU A 63 14.060 1.508 -7.233 1.00 0.00 O ATOM 1071 CB LEU A 63 14.752 -1.706 -7.457 1.00 0.00 C ATOM 1072 CG LEU A 63 14.339 -1.655 -8.938 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.482 -2.883 -9.260 1.00 0.00 C ATOM 1074 CD2 LEU A 63 13.538 -0.374 -9.225 1.00 0.00 C ATOM 0 H LEU A 63 16.329 -1.637 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 63 16.014 -0.021 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.393 -2.570 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.867 -1.836 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 63 15.233 -1.653 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.185 -2.855 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.058 -3.789 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.592 -2.881 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.252 -0.351 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.642 -0.359 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.152 0.498 -8.997 1.00 0.00 H new ATOM 1086 N LEU A 64 14.187 0.564 -5.256 1.00 0.00 N ATOM 1087 CA LEU A 64 13.247 1.549 -4.654 1.00 0.00 C ATOM 1088 C LEU A 64 13.941 2.908 -4.603 1.00 0.00 C ATOM 1089 O LEU A 64 13.340 3.931 -4.835 1.00 0.00 O ATOM 1090 CB LEU A 64 12.875 1.084 -3.236 1.00 0.00 C ATOM 1091 CG LEU A 64 12.109 2.174 -2.470 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.863 2.596 -3.267 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.690 1.616 -1.100 1.00 0.00 C ATOM 0 H LEU A 64 14.539 -0.143 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 64 12.337 1.629 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.265 0.183 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.780 0.821 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 64 12.748 3.046 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.325 3.369 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.167 2.986 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.213 1.733 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.145 2.381 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.049 0.746 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.578 1.325 -0.539 1.00 0.00 H new ATOM 1105 N ASP A 65 15.210 2.928 -4.309 1.00 0.00 N ATOM 1106 CA ASP A 65 15.940 4.227 -4.252 1.00 0.00 C ATOM 1107 C ASP A 65 15.652 5.028 -5.525 1.00 0.00 C ATOM 1108 O ASP A 65 15.608 6.241 -5.512 1.00 0.00 O ATOM 1109 CB ASP A 65 17.440 3.955 -4.151 1.00 0.00 C ATOM 1110 CG ASP A 65 18.179 5.263 -3.864 1.00 0.00 C ATOM 1111 OD1 ASP A 65 18.043 5.769 -2.762 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.870 5.738 -4.751 1.00 0.00 O ATOM 0 H ASP A 65 15.774 2.103 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 65 15.611 4.796 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.637 3.233 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.804 3.516 -5.080 1.00 0.00 H new ATOM 1117 N GLN A 66 15.452 4.349 -6.623 1.00 0.00 N ATOM 1118 CA GLN A 66 15.163 5.062 -7.904 1.00 0.00 C ATOM 1119 C GLN A 66 13.693 5.506 -7.931 1.00 0.00 C ATOM 1120 O GLN A 66 13.381 6.616 -8.314 1.00 0.00 O ATOM 1121 CB GLN A 66 15.447 4.117 -9.089 1.00 0.00 C ATOM 1122 CG GLN A 66 16.948 4.107 -9.414 1.00 0.00 C ATOM 1123 CD GLN A 66 17.753 3.781 -8.154 1.00 0.00 C ATOM 1124 OE1 GLN A 66 18.194 2.665 -7.973 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.966 4.718 -7.270 1.00 0.00 N ATOM 0 H GLN A 66 15.476 3.331 -6.689 1.00 0.00 H new ATOM 0 HA GLN A 66 15.800 5.943 -7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.114 3.108 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.881 4.438 -9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.156 3.370 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 17.250 5.078 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.595 5.656 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.503 4.512 -6.428 1.00 0.00 H new ATOM 1134 N LYS A 67 12.787 4.650 -7.539 1.00 0.00 N ATOM 1135 CA LYS A 67 11.344 5.039 -7.559 1.00 0.00 C ATOM 1136 C LYS A 67 11.070 6.018 -6.410 1.00 0.00 C ATOM 1137 O LYS A 67 10.573 7.106 -6.614 1.00 0.00 O ATOM 1138 CB LYS A 67 10.473 3.778 -7.400 1.00 0.00 C ATOM 1139 CG LYS A 67 10.303 3.076 -8.755 1.00 0.00 C ATOM 1140 CD LYS A 67 11.676 2.783 -9.369 1.00 0.00 C ATOM 1141 CE LYS A 67 11.511 1.851 -10.569 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.621 2.492 -11.578 1.00 0.00 N ATOM 0 H LYS A 67 12.980 3.705 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 67 11.102 5.521 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.934 3.097 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.497 4.050 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.748 2.147 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.721 3.704 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.153 3.713 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.328 2.324 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.483 1.635 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.088 0.899 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.997 2.320 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.666 2.088 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.578 3.516 -11.402 1.00 0.00 H new ATOM 1156 N TYR A 68 11.406 5.644 -5.207 1.00 0.00 N ATOM 1157 CA TYR A 68 11.183 6.551 -4.042 1.00 0.00 C ATOM 1158 C TYR A 68 11.749 7.936 -4.378 1.00 0.00 C ATOM 1159 O TYR A 68 11.128 8.952 -4.147 1.00 0.00 O ATOM 1160 CB TYR A 68 11.897 5.962 -2.808 1.00 0.00 C ATOM 1161 CG TYR A 68 12.097 7.024 -1.747 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.241 7.828 -1.779 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.141 7.204 -0.741 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.432 8.814 -0.806 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.332 8.190 0.233 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.477 8.996 0.201 1.00 0.00 C ATOM 1167 OH TYR A 68 12.663 9.968 1.162 1.00 0.00 O ATOM 0 H TYR A 68 11.828 4.744 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 68 10.119 6.644 -3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.309 5.140 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.862 5.549 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.978 7.687 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.258 6.583 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.316 9.435 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.596 8.330 1.011 1.00 0.00 H new ATOM 0 HH TYR A 68 11.906 9.961 1.785 1.00 0.00 H new ATOM 1177 N ALA A 69 12.924 7.975 -4.932 1.00 0.00 N ATOM 1178 CA ALA A 69 13.540 9.278 -5.297 1.00 0.00 C ATOM 1179 C ALA A 69 12.538 10.092 -6.122 1.00 0.00 C ATOM 1180 O ALA A 69 12.488 11.304 -6.046 1.00 0.00 O ATOM 1181 CB ALA A 69 14.801 9.013 -6.125 1.00 0.00 C ATOM 0 H ALA A 69 13.489 7.154 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 69 13.804 9.836 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.262 9.962 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.505 8.424 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.534 8.465 -7.029 1.00 0.00 H new ATOM 1187 N GLU A 70 11.738 9.422 -6.909 1.00 0.00 N ATOM 1188 CA GLU A 70 10.724 10.120 -7.751 1.00 0.00 C ATOM 1189 C GLU A 70 9.385 10.182 -7.006 1.00 0.00 C ATOM 1190 O GLU A 70 8.822 11.239 -6.803 1.00 0.00 O ATOM 1191 CB GLU A 70 10.548 9.332 -9.053 1.00 0.00 C ATOM 1192 CG GLU A 70 11.769 9.540 -9.955 1.00 0.00 C ATOM 1193 CD GLU A 70 11.756 10.962 -10.521 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.680 11.439 -10.846 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.820 11.550 -10.621 1.00 0.00 O ATOM 0 H GLU A 70 11.745 8.407 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 70 11.056 11.135 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.423 8.272 -8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.644 9.659 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.685 9.372 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.760 8.814 -10.768 1.00 0.00 H new ATOM 1202 N TYR A 71 8.862 9.045 -6.624 1.00 0.00 N ATOM 1203 CA TYR A 71 7.547 9.014 -5.922 1.00 0.00 C ATOM 1204 C TYR A 71 7.699 9.418 -4.454 1.00 0.00 C ATOM 1205 O TYR A 71 6.896 10.162 -3.926 1.00 0.00 O ATOM 1206 CB TYR A 71 6.973 7.600 -6.012 1.00 0.00 C ATOM 1207 CG TYR A 71 6.768 7.234 -7.466 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.605 7.641 -8.129 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.738 6.489 -8.150 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.411 7.305 -9.474 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.543 6.154 -9.495 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.380 6.561 -10.157 1.00 0.00 C ATOM 1213 OH TYR A 71 6.188 6.231 -11.483 1.00 0.00 O ATOM 0 H TYR A 71 9.293 8.132 -6.770 1.00 0.00 H new ATOM 0 HA TYR A 71 6.874 9.726 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.651 6.889 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.026 7.545 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.857 8.215 -7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.636 6.173 -7.639 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.513 7.620 -9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.291 5.581 -10.022 1.00 0.00 H new ATOM 0 HH TYR A 71 6.956 5.714 -11.806 1.00 0.00 H new ATOM 1223 N GLY A 72 8.711 8.935 -3.784 1.00 0.00 N ATOM 1224 CA GLY A 72 8.904 9.290 -2.339 1.00 0.00 C ATOM 1225 C GLY A 72 8.259 8.197 -1.475 1.00 0.00 C ATOM 1226 O GLY A 72 8.222 7.050 -1.875 1.00 0.00 O ATOM 0 H GLY A 72 9.416 8.308 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.966 9.376 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.452 10.258 -2.124 1.00 0.00 H new ATOM 1230 N PRO A 73 7.756 8.517 -0.302 1.00 0.00 N ATOM 1231 CA PRO A 73 7.127 7.494 0.574 1.00 0.00 C ATOM 1232 C PRO A 73 5.704 7.157 0.119 1.00 0.00 C ATOM 1233 O PRO A 73 4.866 6.764 0.905 1.00 0.00 O ATOM 1234 CB PRO A 73 7.137 8.152 1.962 1.00 0.00 C ATOM 1235 CG PRO A 73 7.039 9.623 1.686 1.00 0.00 C ATOM 1236 CD PRO A 73 7.723 9.859 0.322 1.00 0.00 C ATOM 0 HA PRO A 73 7.657 6.542 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.301 7.807 2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.049 7.911 2.508 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.998 9.944 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.530 10.199 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.163 10.568 -0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.727 10.267 0.444 1.00 0.00 H new ATOM 1244 N LYS A 74 5.430 7.296 -1.153 1.00 0.00 N ATOM 1245 CA LYS A 74 4.070 6.971 -1.667 1.00 0.00 C ATOM 1246 C LYS A 74 4.002 5.469 -1.938 1.00 0.00 C ATOM 1247 O LYS A 74 3.937 5.032 -3.069 1.00 0.00 O ATOM 1248 CB LYS A 74 3.833 7.744 -2.965 1.00 0.00 C ATOM 1249 CG LYS A 74 3.520 9.210 -2.649 1.00 0.00 C ATOM 1250 CD LYS A 74 3.487 10.017 -3.949 1.00 0.00 C ATOM 1251 CE LYS A 74 3.322 11.502 -3.624 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.263 12.285 -4.890 1.00 0.00 N ATOM 0 H LYS A 74 6.092 7.621 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 74 3.308 7.248 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.715 7.681 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.007 7.298 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.561 9.286 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.274 9.617 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.407 9.857 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.665 9.678 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.413 11.659 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.155 11.845 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.151 13.295 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.143 12.144 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.454 11.964 -5.460 1.00 0.00 H new ATOM 1266 N TRP A 75 4.029 4.679 -0.904 1.00 0.00 N ATOM 1267 CA TRP A 75 3.982 3.205 -1.080 1.00 0.00 C ATOM 1268 C TRP A 75 2.742 2.814 -1.888 1.00 0.00 C ATOM 1269 O TRP A 75 2.553 1.668 -2.240 1.00 0.00 O ATOM 1270 CB TRP A 75 3.959 2.535 0.301 1.00 0.00 C ATOM 1271 CG TRP A 75 4.855 3.291 1.241 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.451 3.853 2.403 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.281 3.590 1.121 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.537 4.452 3.016 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.684 4.323 2.264 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.259 3.297 0.151 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.002 4.746 2.439 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.584 3.725 0.323 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.955 4.447 1.464 1.00 0.00 C ATOM 0 H TRP A 75 4.082 4.995 0.064 1.00 0.00 H new ATOM 0 HA TRP A 75 4.865 2.871 -1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.941 2.515 0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.290 1.500 0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.443 3.837 2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.494 4.931 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.987 2.738 -0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.283 5.301 3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.323 3.496 -0.430 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.977 4.772 1.589 1.00 0.00 H new ATOM 1290 N ASN A 76 1.907 3.763 -2.198 1.00 0.00 N ATOM 1291 CA ASN A 76 0.692 3.453 -3.000 1.00 0.00 C ATOM 1292 C ASN A 76 1.120 3.217 -4.447 1.00 0.00 C ATOM 1293 O ASN A 76 0.569 2.392 -5.146 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.280 4.633 -2.937 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.521 4.318 -3.774 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.313 5.194 -4.061 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -1.725 3.096 -4.183 1.00 0.00 N ATOM 0 H ASN A 76 2.013 4.742 -1.931 1.00 0.00 H new ATOM 0 HA ASN A 76 0.196 2.566 -2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.566 4.828 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.203 5.536 -3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.549 2.876 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.061 2.360 -3.943 1.00 0.00 H new ATOM 1304 N LYS A 77 2.120 3.933 -4.892 1.00 0.00 N ATOM 1305 CA LYS A 77 2.618 3.758 -6.285 1.00 0.00 C ATOM 1306 C LYS A 77 3.624 2.613 -6.299 1.00 0.00 C ATOM 1307 O LYS A 77 3.683 1.828 -7.224 1.00 0.00 O ATOM 1308 CB LYS A 77 3.318 5.041 -6.743 1.00 0.00 C ATOM 1309 CG LYS A 77 2.364 6.244 -6.641 1.00 0.00 C ATOM 1310 CD LYS A 77 1.358 6.237 -7.802 1.00 0.00 C ATOM 1311 CE LYS A 77 0.606 7.571 -7.832 1.00 0.00 C ATOM 1312 NZ LYS A 77 1.566 8.675 -8.110 1.00 0.00 N ATOM 0 H LYS A 77 2.615 4.636 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 77 1.784 3.541 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.202 5.218 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.660 4.928 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.831 6.213 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.937 7.171 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.878 6.079 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.654 5.413 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.169 7.547 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.106 7.741 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.063 9.468 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.995 8.995 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.312 8.334 -8.750 1.00 0.00 H new ATOM 1326 N ILE A 78 4.419 2.516 -5.271 1.00 0.00 N ATOM 1327 CA ILE A 78 5.430 1.428 -5.210 1.00 0.00 C ATOM 1328 C ILE A 78 4.717 0.081 -5.090 1.00 0.00 C ATOM 1329 O ILE A 78 4.943 -0.822 -5.863 1.00 0.00 O ATOM 1330 CB ILE A 78 6.329 1.651 -3.985 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.710 3.135 -3.882 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.598 0.803 -4.108 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.252 3.647 -5.221 1.00 0.00 C ATOM 0 H ILE A 78 4.411 3.146 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 78 6.038 1.432 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 78 5.785 1.355 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.838 3.720 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.461 3.270 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.231 0.966 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.327 -0.251 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.141 1.089 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.516 4.700 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.137 3.074 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.489 3.531 -5.991 1.00 0.00 H new ATOM 1345 N SER A 79 3.854 -0.057 -4.124 1.00 0.00 N ATOM 1346 CA SER A 79 3.123 -1.349 -3.953 1.00 0.00 C ATOM 1347 C SER A 79 2.517 -1.807 -5.284 1.00 0.00 C ATOM 1348 O SER A 79 2.276 -2.981 -5.489 1.00 0.00 O ATOM 1349 CB SER A 79 2.013 -1.179 -2.919 1.00 0.00 C ATOM 1350 OG SER A 79 1.499 -2.457 -2.569 1.00 0.00 O ATOM 0 H SER A 79 3.621 0.667 -3.444 1.00 0.00 H new ATOM 0 HA SER A 79 3.830 -2.105 -3.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.399 -0.674 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.218 -0.552 -3.322 1.00 0.00 H new ATOM 0 HG SER A 79 1.138 -2.894 -3.368 1.00 0.00 H new ATOM 1356 N LYS A 80 2.266 -0.903 -6.188 1.00 0.00 N ATOM 1357 CA LYS A 80 1.673 -1.304 -7.496 1.00 0.00 C ATOM 1358 C LYS A 80 2.770 -1.900 -8.375 1.00 0.00 C ATOM 1359 O LYS A 80 2.503 -2.607 -9.326 1.00 0.00 O ATOM 1360 CB LYS A 80 1.060 -0.078 -8.188 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.268 0.284 -7.511 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.790 1.623 -8.049 1.00 0.00 C ATOM 1363 CE LYS A 80 -0.951 1.559 -9.576 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.486 0.225 -9.970 1.00 0.00 N ATOM 0 H LYS A 80 2.445 0.095 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 80 0.889 -2.044 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.749 0.765 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.896 -0.288 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.003 -0.500 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.129 0.347 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.748 1.860 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.100 2.423 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.626 2.346 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.010 1.733 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.967 0.301 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.703 -0.455 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.162 -0.104 -9.252 1.00 0.00 H new ATOM 1378 N PHE A 81 4.006 -1.620 -8.061 1.00 0.00 N ATOM 1379 CA PHE A 81 5.129 -2.170 -8.870 1.00 0.00 C ATOM 1380 C PHE A 81 5.495 -3.538 -8.295 1.00 0.00 C ATOM 1381 O PHE A 81 6.192 -4.324 -8.906 1.00 0.00 O ATOM 1382 CB PHE A 81 6.331 -1.208 -8.774 1.00 0.00 C ATOM 1383 CG PHE A 81 6.211 -0.109 -9.819 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.066 0.699 -9.853 1.00 0.00 C ATOM 1385 CD2 PHE A 81 7.241 0.103 -10.751 1.00 0.00 C ATOM 1386 CE1 PHE A 81 4.950 1.712 -10.812 1.00 0.00 C ATOM 1387 CE2 PHE A 81 7.122 1.117 -11.709 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.977 1.921 -11.740 1.00 0.00 C ATOM 0 H PHE A 81 4.286 -1.032 -7.276 1.00 0.00 H new ATOM 0 HA PHE A 81 4.847 -2.274 -9.918 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.375 -0.769 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.260 -1.759 -8.921 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.272 0.540 -9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.125 -0.517 -10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.067 2.333 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.914 1.279 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.886 2.703 -12.480 1.00 0.00 H new ATOM 1398 N LEU A 82 5.023 -3.813 -7.110 1.00 0.00 N ATOM 1399 CA LEU A 82 5.316 -5.116 -6.440 1.00 0.00 C ATOM 1400 C LEU A 82 4.115 -6.047 -6.629 1.00 0.00 C ATOM 1401 O LEU A 82 4.234 -7.122 -7.181 1.00 0.00 O ATOM 1402 CB LEU A 82 5.537 -4.848 -4.941 1.00 0.00 C ATOM 1403 CG LEU A 82 6.959 -4.291 -4.672 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.356 -3.230 -5.709 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.999 -3.645 -3.280 1.00 0.00 C ATOM 0 H LEU A 82 4.436 -3.180 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 82 6.204 -5.581 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.792 -4.138 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.393 -5.771 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 82 7.659 -5.124 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.358 -2.863 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.343 -3.672 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.649 -2.401 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.998 -3.253 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.275 -2.831 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.752 -4.392 -2.525 1.00 0.00 H new ATOM 1417 N LYS A 83 2.966 -5.640 -6.159 1.00 0.00 N ATOM 1418 CA LYS A 83 1.748 -6.483 -6.286 1.00 0.00 C ATOM 1419 C LYS A 83 1.961 -7.737 -5.456 1.00 0.00 C ATOM 1420 O LYS A 83 1.142 -8.636 -5.441 1.00 0.00 O ATOM 1421 CB LYS A 83 1.495 -6.846 -7.762 1.00 0.00 C ATOM 1422 CG LYS A 83 1.800 -5.630 -8.671 1.00 0.00 C ATOM 1423 CD LYS A 83 1.005 -5.723 -9.995 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.400 -5.130 -9.816 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.128 -5.179 -11.116 1.00 0.00 N ATOM 0 H LYS A 83 2.821 -4.747 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 83 0.874 -5.940 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.122 -7.690 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.459 -7.158 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.543 -4.707 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.868 -5.588 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.535 -5.189 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.930 -6.764 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.949 -5.689 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.330 -4.101 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.080 -4.778 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.607 -4.627 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.206 -6.166 -11.433 1.00 0.00 H new ATOM 1439 N ASN A 84 3.069 -7.787 -4.759 1.00 0.00 N ATOM 1440 CA ASN A 84 3.391 -8.962 -3.901 1.00 0.00 C ATOM 1441 C ASN A 84 3.445 -8.511 -2.440 1.00 0.00 C ATOM 1442 O ASN A 84 3.377 -9.316 -1.533 1.00 0.00 O ATOM 1443 CB ASN A 84 4.750 -9.536 -4.321 1.00 0.00 C ATOM 1444 CG ASN A 84 4.604 -10.277 -5.654 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.919 -11.446 -5.750 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.136 -9.639 -6.692 1.00 0.00 N ATOM 0 H ASN A 84 3.774 -7.049 -4.750 1.00 0.00 H new ATOM 0 HA ASN A 84 2.627 -9.731 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.481 -8.733 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.122 -10.216 -3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.035 -10.122 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.872 -8.657 -6.611 1.00 0.00 H new ATOM 1453 N ARG A 85 3.556 -7.222 -2.208 1.00 0.00 N ATOM 1454 CA ARG A 85 3.606 -6.689 -0.806 1.00 0.00 C ATOM 1455 C ARG A 85 2.548 -5.608 -0.642 1.00 0.00 C ATOM 1456 O ARG A 85 1.792 -5.317 -1.548 1.00 0.00 O ATOM 1457 CB ARG A 85 4.988 -6.099 -0.524 1.00 0.00 C ATOM 1458 CG ARG A 85 6.066 -7.218 -0.498 1.00 0.00 C ATOM 1459 CD ARG A 85 6.701 -7.397 -1.888 1.00 0.00 C ATOM 1460 NE ARG A 85 7.301 -8.758 -1.985 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.062 -9.065 -3.001 1.00 0.00 C ATOM 1462 NH1 ARG A 85 8.298 -8.182 -3.932 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.586 -10.257 -3.085 1.00 0.00 N ATOM 0 H ARG A 85 3.615 -6.511 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 85 3.414 -7.500 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.238 -5.363 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.977 -5.575 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.838 -6.969 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.615 -8.156 -0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.948 -7.263 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.466 -6.638 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 85 7.117 -9.449 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.888 -7.250 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.893 -8.423 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.401 -10.948 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.181 -10.498 -3.878 1.00 0.00 H new ATOM 1477 N SER A 86 2.477 -5.033 0.531 1.00 0.00 N ATOM 1478 CA SER A 86 1.465 -3.982 0.824 1.00 0.00 C ATOM 1479 C SER A 86 2.176 -2.751 1.360 1.00 0.00 C ATOM 1480 O SER A 86 3.293 -2.812 1.827 1.00 0.00 O ATOM 1481 CB SER A 86 0.497 -4.515 1.885 1.00 0.00 C ATOM 1482 OG SER A 86 1.225 -5.273 2.843 1.00 0.00 O ATOM 0 H SER A 86 3.093 -5.255 1.313 1.00 0.00 H new ATOM 0 HA SER A 86 0.915 -3.722 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.018 -3.688 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.268 -5.135 1.418 1.00 0.00 H new ATOM 0 HG SER A 86 0.732 -5.290 3.690 1.00 0.00 H new ATOM 1488 N ASP A 87 1.522 -1.640 1.310 1.00 0.00 N ATOM 1489 CA ASP A 87 2.140 -0.394 1.821 1.00 0.00 C ATOM 1490 C ASP A 87 2.494 -0.598 3.290 1.00 0.00 C ATOM 1491 O ASP A 87 3.475 -0.081 3.787 1.00 0.00 O ATOM 1492 CB ASP A 87 1.151 0.766 1.673 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.236 0.320 2.141 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.323 -0.731 2.755 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.187 1.036 1.877 1.00 0.00 O ATOM 0 H ASP A 87 0.579 -1.536 0.935 1.00 0.00 H new ATOM 0 HA ASP A 87 3.041 -0.158 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.487 1.621 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.108 1.091 0.633 1.00 0.00 H new ATOM 1500 N ASN A 88 1.705 -1.367 3.981 1.00 0.00 N ATOM 1501 CA ASN A 88 1.992 -1.634 5.414 1.00 0.00 C ATOM 1502 C ASN A 88 3.302 -2.416 5.509 1.00 0.00 C ATOM 1503 O ASN A 88 4.031 -2.308 6.474 1.00 0.00 O ATOM 1504 CB ASN A 88 0.855 -2.460 6.020 1.00 0.00 C ATOM 1505 CG ASN A 88 1.095 -2.635 7.520 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.361 -1.678 8.220 1.00 0.00 O ATOM 1507 ND2 ASN A 88 1.011 -3.826 8.048 1.00 0.00 N ATOM 0 H ASN A 88 0.870 -1.824 3.614 1.00 0.00 H new ATOM 0 HA ASN A 88 2.077 -0.694 5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.100 -1.964 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.800 -3.434 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.169 -3.953 9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.788 -4.630 7.461 1.00 0.00 H new ATOM 1514 N ASN A 89 3.612 -3.197 4.506 1.00 0.00 N ATOM 1515 CA ASN A 89 4.875 -3.977 4.524 1.00 0.00 C ATOM 1516 C ASN A 89 6.012 -3.077 4.052 1.00 0.00 C ATOM 1517 O ASN A 89 7.088 -3.055 4.615 1.00 0.00 O ATOM 1518 CB ASN A 89 4.728 -5.143 3.555 1.00 0.00 C ATOM 1519 CG ASN A 89 6.006 -5.979 3.554 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.859 -5.810 4.403 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.175 -6.880 2.628 1.00 0.00 N ATOM 0 H ASN A 89 3.038 -3.325 3.673 1.00 0.00 H new ATOM 0 HA ASN A 89 5.086 -4.344 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.878 -5.762 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.526 -4.770 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.024 -7.445 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.458 -7.021 1.916 1.00 0.00 H new ATOM 1528 N ILE A 90 5.767 -2.333 3.012 1.00 0.00 N ATOM 1529 CA ILE A 90 6.806 -1.419 2.469 1.00 0.00 C ATOM 1530 C ILE A 90 7.048 -0.295 3.469 1.00 0.00 C ATOM 1531 O ILE A 90 8.154 -0.069 3.916 1.00 0.00 O ATOM 1532 CB ILE A 90 6.304 -0.835 1.149 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.957 -1.980 0.191 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.389 0.041 0.521 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.223 -1.449 -1.043 1.00 0.00 C ATOM 0 H ILE A 90 4.880 -2.320 2.509 1.00 0.00 H new ATOM 0 HA ILE A 90 7.737 -1.960 2.300 1.00 0.00 H new ATOM 0 HB ILE A 90 5.418 -0.228 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.868 -2.494 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.334 -2.713 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.024 0.454 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.639 0.855 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.278 -0.560 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.986 -2.278 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.301 -0.957 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.859 -0.734 -1.565 1.00 0.00 H new ATOM 1547 N ARG A 91 6.009 0.399 3.838 1.00 0.00 N ATOM 1548 CA ARG A 91 6.150 1.502 4.827 1.00 0.00 C ATOM 1549 C ARG A 91 6.878 0.967 6.058 1.00 0.00 C ATOM 1550 O ARG A 91 7.609 1.670 6.727 1.00 0.00 O ATOM 1551 CB ARG A 91 4.754 1.982 5.237 1.00 0.00 C ATOM 1552 CG ARG A 91 4.861 3.262 6.075 1.00 0.00 C ATOM 1553 CD ARG A 91 3.520 3.538 6.757 1.00 0.00 C ATOM 1554 NE ARG A 91 3.532 4.906 7.346 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.430 5.428 7.811 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.315 4.752 7.761 1.00 0.00 N ATOM 1557 NH2 ARG A 91 2.442 6.627 8.326 1.00 0.00 N ATOM 0 H ARG A 91 5.061 0.248 3.494 1.00 0.00 H new ATOM 0 HA ARG A 91 6.712 2.329 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.150 2.169 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.247 1.205 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.646 3.155 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.138 4.103 5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.708 3.449 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.337 2.797 7.536 1.00 0.00 H new ATOM 0 HE ARG A 91 4.403 5.436 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.304 3.815 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.454 5.161 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.313 7.157 8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.580 7.035 8.689 1.00 0.00 H new ATOM 1571 N ASN A 92 6.659 -0.280 6.363 1.00 0.00 N ATOM 1572 CA ASN A 92 7.306 -0.896 7.557 1.00 0.00 C ATOM 1573 C ASN A 92 8.739 -1.316 7.225 1.00 0.00 C ATOM 1574 O ASN A 92 9.643 -1.114 8.010 1.00 0.00 O ATOM 1575 CB ASN A 92 6.504 -2.126 7.988 1.00 0.00 C ATOM 1576 CG ASN A 92 7.189 -2.796 9.181 1.00 0.00 C ATOM 1577 OD1 ASN A 92 8.318 -3.234 9.082 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.549 -2.897 10.314 1.00 0.00 N ATOM 0 H ASN A 92 6.054 -0.906 5.832 1.00 0.00 H new ATOM 0 HA ASN A 92 7.329 -0.165 8.366 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.489 -1.834 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.425 -2.830 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.997 -3.343 11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.601 -2.530 10.399 1.00 0.00 H new ATOM 1585 N ARG A 93 8.966 -1.909 6.081 1.00 0.00 N ATOM 1586 CA ARG A 93 10.355 -2.338 5.748 1.00 0.00 C ATOM 1587 C ARG A 93 11.218 -1.116 5.430 1.00 0.00 C ATOM 1588 O ARG A 93 12.360 -1.030 5.835 1.00 0.00 O ATOM 1589 CB ARG A 93 10.339 -3.287 4.547 1.00 0.00 C ATOM 1590 CG ARG A 93 11.786 -3.689 4.187 1.00 0.00 C ATOM 1591 CD ARG A 93 11.797 -5.015 3.410 1.00 0.00 C ATOM 1592 NE ARG A 93 13.059 -5.113 2.623 1.00 0.00 N ATOM 1593 CZ ARG A 93 14.200 -5.267 3.237 1.00 0.00 C ATOM 1594 NH1 ARG A 93 14.236 -5.366 4.538 1.00 0.00 N ATOM 1595 NH2 ARG A 93 15.307 -5.329 2.549 1.00 0.00 N ATOM 0 H ARG A 93 8.260 -2.112 5.373 1.00 0.00 H new ATOM 0 HA ARG A 93 10.777 -2.859 6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.751 -4.175 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.862 -2.803 3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.249 -2.905 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.379 -3.788 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.719 -5.855 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.935 -5.068 2.745 1.00 0.00 H new ATOM 0 HE ARG A 93 13.031 -5.060 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.371 -5.323 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.129 -5.486 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.280 -5.257 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.199 -5.449 3.028 1.00 0.00 H new ATOM 1609 N TRP A 94 10.684 -0.167 4.715 1.00 0.00 N ATOM 1610 CA TRP A 94 11.473 1.047 4.381 1.00 0.00 C ATOM 1611 C TRP A 94 11.866 1.756 5.674 1.00 0.00 C ATOM 1612 O TRP A 94 13.020 2.039 5.910 1.00 0.00 O ATOM 1613 CB TRP A 94 10.627 1.987 3.519 1.00 0.00 C ATOM 1614 CG TRP A 94 11.417 3.216 3.198 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.356 3.305 2.229 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.356 4.527 3.831 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.874 4.588 2.225 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.289 5.379 3.195 1.00 0.00 C ATOM 1619 CE3 TRP A 94 10.588 5.056 4.885 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.456 6.707 3.589 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 10.753 6.392 5.285 1.00 0.00 C ATOM 1622 CH2 TRP A 94 11.685 7.216 4.638 1.00 0.00 C ATOM 0 H TRP A 94 9.733 -0.181 4.347 1.00 0.00 H new ATOM 0 HA TRP A 94 12.369 0.763 3.829 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.328 1.484 2.600 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.712 2.257 4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.653 2.505 1.567 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.599 4.910 1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 94 9.867 4.430 5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.176 7.337 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 10.159 6.787 6.096 1.00 0.00 H new ATOM 0 HH2 TRP A 94 11.807 8.243 4.950 1.00 0.00 H new ATOM 1633 N MET A 95 10.915 2.046 6.517 1.00 0.00 N ATOM 1634 CA MET A 95 11.238 2.738 7.796 1.00 0.00 C ATOM 1635 C MET A 95 12.110 1.832 8.669 1.00 0.00 C ATOM 1636 O MET A 95 12.744 2.283 9.601 1.00 0.00 O ATOM 1637 CB MET A 95 9.940 3.065 8.538 1.00 0.00 C ATOM 1638 CG MET A 95 10.259 3.879 9.793 1.00 0.00 C ATOM 1639 SD MET A 95 8.722 4.513 10.508 1.00 0.00 S ATOM 1640 CE MET A 95 9.429 5.130 12.055 1.00 0.00 C ATOM 0 H MET A 95 9.927 1.834 6.376 1.00 0.00 H new ATOM 0 HA MET A 95 11.779 3.659 7.581 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.269 3.627 7.888 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.423 2.145 8.810 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.781 3.257 10.520 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.925 4.705 9.544 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.641 5.573 12.664 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.889 4.305 12.600 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.184 5.885 11.835 1.00 0.00 H new ATOM 1650 N MET A 96 12.154 0.558 8.374 1.00 0.00 N ATOM 1651 CA MET A 96 12.991 -0.369 9.186 1.00 0.00 C ATOM 1652 C MET A 96 14.438 -0.263 8.719 1.00 0.00 C ATOM 1653 O MET A 96 15.347 -0.124 9.510 1.00 0.00 O ATOM 1654 CB MET A 96 12.498 -1.807 9.002 1.00 0.00 C ATOM 1655 CG MET A 96 13.368 -2.755 9.829 1.00 0.00 C ATOM 1656 SD MET A 96 12.608 -4.398 9.859 1.00 0.00 S ATOM 1657 CE MET A 96 13.624 -5.092 11.186 1.00 0.00 C ATOM 0 H MET A 96 11.645 0.122 7.605 1.00 0.00 H new ATOM 0 HA MET A 96 12.920 -0.101 10.240 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.456 -1.888 9.313 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.539 -2.085 7.949 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.369 -2.813 9.402 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.476 -2.374 10.844 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.321 -6.122 11.375 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.673 -5.071 10.890 1.00 0.00 H new ATOM 0 HE3 MET A 96 13.491 -4.502 12.093 1.00 0.00 H new ATOM 1667 N ILE A 97 14.661 -0.337 7.433 1.00 0.00 N ATOM 1668 CA ILE A 97 16.051 -0.246 6.902 1.00 0.00 C ATOM 1669 C ILE A 97 16.442 1.223 6.710 1.00 0.00 C ATOM 1670 O ILE A 97 17.602 1.580 6.770 1.00 0.00 O ATOM 1671 CB ILE A 97 16.145 -0.997 5.564 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.317 -0.269 4.488 1.00 0.00 C ATOM 1673 CG2 ILE A 97 15.611 -2.425 5.750 1.00 0.00 C ATOM 1674 CD1 ILE A 97 15.256 -1.111 3.207 1.00 0.00 C ATOM 0 H ILE A 97 13.936 -0.457 6.725 1.00 0.00 H new ATOM 0 HA ILE A 97 16.738 -0.702 7.615 1.00 0.00 H new ATOM 0 HB ILE A 97 17.186 -1.031 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 97 14.309 -0.083 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 97 15.761 0.703 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.675 -2.963 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.207 -2.941 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 97 14.571 -2.385 6.075 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.668 -0.586 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 97 16.266 -1.274 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.791 -2.072 3.425 1.00 0.00 H new ATOM 1686 N ALA A 98 15.483 2.073 6.462 1.00 0.00 N ATOM 1687 CA ALA A 98 15.799 3.512 6.244 1.00 0.00 C ATOM 1688 C ALA A 98 16.209 4.165 7.561 1.00 0.00 C ATOM 1689 O ALA A 98 16.772 5.241 7.578 1.00 0.00 O ATOM 1690 CB ALA A 98 14.573 4.234 5.681 1.00 0.00 C ATOM 0 H ALA A 98 14.494 1.832 6.401 1.00 0.00 H new ATOM 0 HA ALA A 98 16.623 3.586 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.811 5.286 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.288 3.781 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.746 4.150 6.386 1.00 0.00 H new ATOM 1696 N ARG A 99 15.933 3.533 8.670 1.00 0.00 N ATOM 1697 CA ARG A 99 16.315 4.140 9.971 1.00 0.00 C ATOM 1698 C ARG A 99 17.829 4.022 10.119 1.00 0.00 C ATOM 1699 O ARG A 99 18.459 4.738 10.874 1.00 0.00 O ATOM 1700 CB ARG A 99 15.590 3.415 11.124 1.00 0.00 C ATOM 1701 CG ARG A 99 16.295 2.090 11.471 1.00 0.00 C ATOM 1702 CD ARG A 99 15.355 1.194 12.285 1.00 0.00 C ATOM 1703 NE ARG A 99 14.898 1.928 13.499 1.00 0.00 N ATOM 1704 CZ ARG A 99 13.895 1.473 14.199 1.00 0.00 C ATOM 1705 NH1 ARG A 99 13.290 0.374 13.836 1.00 0.00 N ATOM 1706 NH2 ARG A 99 13.495 2.117 15.262 1.00 0.00 N ATOM 0 H ARG A 99 15.463 2.630 8.729 1.00 0.00 H new ATOM 0 HA ARG A 99 16.024 5.190 10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.563 4.058 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.556 3.218 10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.597 1.579 10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.203 2.290 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.497 0.902 11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.868 0.277 12.573 1.00 0.00 H new ATOM 0 HE ARG A 99 15.370 2.787 13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.601 -0.129 13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.506 0.019 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.966 2.976 15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.711 1.761 15.809 1.00 0.00 H new ATOM 1720 N HIS A 100 18.406 3.109 9.391 1.00 0.00 N ATOM 1721 CA HIS A 100 19.873 2.901 9.450 1.00 0.00 C ATOM 1722 C HIS A 100 20.551 3.894 8.506 1.00 0.00 C ATOM 1723 O HIS A 100 21.656 4.341 8.743 1.00 0.00 O ATOM 1724 CB HIS A 100 20.180 1.468 9.004 1.00 0.00 C ATOM 1725 CG HIS A 100 19.808 0.501 10.098 1.00 0.00 C ATOM 1726 ND1 HIS A 100 19.892 0.838 11.442 1.00 0.00 N ATOM 1727 CD2 HIS A 100 19.350 -0.793 10.063 1.00 0.00 C ATOM 1728 CE1 HIS A 100 19.492 -0.234 12.154 1.00 0.00 C ATOM 1729 NE2 HIS A 100 19.153 -1.250 11.360 1.00 0.00 N ATOM 0 H HIS A 100 17.913 2.490 8.748 1.00 0.00 H new ATOM 0 HA HIS A 100 20.242 3.057 10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.626 1.234 8.095 1.00 0.00 H new ATOM 0 HB3 HIS A 100 21.239 1.371 8.765 1.00 0.00 H new ATOM 0 HD2 HIS A 100 19.171 -1.367 9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 100 19.451 -0.266 13.233 1.00 0.00 H new ATOM 0 HE2 HIS A 100 18.819 -2.171 11.645 1.00 0.00 H new ATOM 1738 N ARG A 101 19.891 4.245 7.434 1.00 0.00 N ATOM 1739 CA ARG A 101 20.485 5.211 6.466 1.00 0.00 C ATOM 1740 C ARG A 101 20.259 6.634 6.976 1.00 0.00 C ATOM 1741 O ARG A 101 20.920 7.566 6.565 1.00 0.00 O ATOM 1742 CB ARG A 101 19.812 5.045 5.103 1.00 0.00 C ATOM 1743 CG ARG A 101 20.043 3.622 4.589 1.00 0.00 C ATOM 1744 CD ARG A 101 19.582 3.524 3.133 1.00 0.00 C ATOM 1745 NE ARG A 101 18.191 4.046 3.016 1.00 0.00 N ATOM 1746 CZ ARG A 101 17.665 4.246 1.839 1.00 0.00 C ATOM 1747 NH1 ARG A 101 18.356 3.991 0.762 1.00 0.00 N ATOM 1748 NH2 ARG A 101 16.446 4.704 1.737 1.00 0.00 N ATOM 0 H ARG A 101 18.963 3.902 7.187 1.00 0.00 H new ATOM 0 HA ARG A 101 21.554 5.022 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.744 5.244 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.216 5.769 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.099 3.363 4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.495 2.908 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.251 4.095 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.623 2.488 2.796 1.00 0.00 H new ATOM 0 HE ARG A 101 17.650 4.247 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.309 3.635 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.944 4.148 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.905 4.905 2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 101 16.035 4.860 0.817 1.00 0.00 H new ATOM 1762 N ALA A 102 19.325 6.807 7.870 1.00 0.00 N ATOM 1763 CA ALA A 102 19.050 8.167 8.411 1.00 0.00 C ATOM 1764 C ALA A 102 20.210 8.602 9.308 1.00 0.00 C ATOM 1765 O ALA A 102 20.420 9.776 9.544 1.00 0.00 O ATOM 1766 CB ALA A 102 17.757 8.138 9.226 1.00 0.00 C ATOM 0 H ALA A 102 18.739 6.063 8.250 1.00 0.00 H new ATOM 0 HA ALA A 102 18.944 8.873 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.555 9.133 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.931 7.827 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.862 7.433 10.051 1.00 0.00 H new ATOM 1772 N LYS A 103 20.967 7.665 9.809 1.00 0.00 N ATOM 1773 CA LYS A 103 22.114 8.017 10.688 1.00 0.00 C ATOM 1774 C LYS A 103 23.264 8.550 9.830 1.00 0.00 C ATOM 1775 O LYS A 103 24.411 8.533 10.230 1.00 0.00 O ATOM 1776 CB LYS A 103 22.567 6.761 11.436 1.00 0.00 C ATOM 1777 CG LYS A 103 21.544 6.411 12.521 1.00 0.00 C ATOM 1778 CD LYS A 103 22.001 5.157 13.269 1.00 0.00 C ATOM 1779 CE LYS A 103 20.987 4.816 14.361 1.00 0.00 C ATOM 1780 NZ LYS A 103 21.449 3.614 15.112 1.00 0.00 N ATOM 0 H LYS A 103 20.839 6.666 9.646 1.00 0.00 H new ATOM 0 HA LYS A 103 21.816 8.783 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.672 5.929 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.546 6.927 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.437 7.243 13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.565 6.243 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 103 22.098 4.322 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.984 5.322 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.871 5.660 15.041 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.009 4.627 13.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.759 3.382 15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.538 2.810 14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 22.373 3.810 15.547 1.00 0.00 H new ATOM 1794 N HIS A 104 22.963 9.022 8.648 1.00 0.00 N ATOM 1795 CA HIS A 104 24.029 9.558 7.756 1.00 0.00 C ATOM 1796 C HIS A 104 25.164 8.537 7.641 1.00 0.00 C ATOM 1797 O HIS A 104 26.307 8.885 7.420 1.00 0.00 O ATOM 1798 CB HIS A 104 24.570 10.864 8.339 1.00 0.00 C ATOM 1799 CG HIS A 104 23.518 11.936 8.236 1.00 0.00 C ATOM 1800 ND1 HIS A 104 23.758 13.247 8.625 1.00 0.00 N ATOM 1801 CD2 HIS A 104 22.219 11.907 7.790 1.00 0.00 C ATOM 1802 CE1 HIS A 104 22.628 13.947 8.408 1.00 0.00 C ATOM 1803 NE2 HIS A 104 21.663 13.177 7.901 1.00 0.00 N ATOM 0 H HIS A 104 22.019 9.059 8.262 1.00 0.00 H new ATOM 0 HA HIS A 104 23.614 9.747 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 104 24.855 10.719 9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 104 25.468 11.169 7.803 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.709 11.034 7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.517 15.000 8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 104 20.716 13.460 7.648 1.00 0.00 H new ATOM 1812 N GLN A 105 24.854 7.278 7.790 1.00 0.00 N ATOM 1813 CA GLN A 105 25.909 6.232 7.689 1.00 0.00 C ATOM 1814 C GLN A 105 26.293 6.033 6.221 1.00 0.00 C ATOM 1815 O GLN A 105 25.732 5.205 5.532 1.00 0.00 O ATOM 1816 CB GLN A 105 25.372 4.917 8.258 1.00 0.00 C ATOM 1817 CG GLN A 105 26.466 3.849 8.199 1.00 0.00 C ATOM 1818 CD GLN A 105 26.014 2.612 8.977 1.00 0.00 C ATOM 1819 OE1 GLN A 105 24.977 2.046 8.693 1.00 0.00 O ATOM 1820 NE2 GLN A 105 26.754 2.165 9.955 1.00 0.00 N ATOM 0 H GLN A 105 23.914 6.929 7.978 1.00 0.00 H new ATOM 0 HA GLN A 105 26.788 6.544 8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 105 25.045 5.061 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 105 24.501 4.592 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 105 26.674 3.584 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 105 27.392 4.239 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 105 27.625 2.640 10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 105 26.462 1.341 10.480 1.00 0.00 H new ATOM 1829 N LYS A 106 27.246 6.790 5.741 1.00 0.00 N ATOM 1830 CA LYS A 106 27.690 6.665 4.322 1.00 0.00 C ATOM 1831 C LYS A 106 26.532 6.947 3.351 1.00 0.00 C ATOM 1832 O LYS A 106 26.749 7.209 2.184 1.00 0.00 O ATOM 1833 CB LYS A 106 28.234 5.256 4.082 1.00 0.00 C ATOM 1834 CG LYS A 106 29.166 4.844 5.230 1.00 0.00 C ATOM 1835 CD LYS A 106 30.274 5.893 5.417 1.00 0.00 C ATOM 1836 CE LYS A 106 31.411 5.303 6.257 1.00 0.00 C ATOM 1837 NZ LYS A 106 32.094 4.229 5.482 1.00 0.00 N ATOM 0 H LYS A 106 27.742 7.499 6.281 1.00 0.00 H new ATOM 0 HA LYS A 106 28.473 7.401 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 106 27.409 4.548 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 106 28.774 5.223 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 106 28.595 4.740 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 106 29.609 3.871 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 106 30.654 6.211 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 106 29.870 6.779 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 106 32.124 6.084 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 106 31.017 4.899 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 33.080 4.145 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 31.603 3.325 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 32.076 4.466 4.470 1.00 0.00 H new ATOM 1851 N SER A 107 25.309 6.898 3.807 1.00 0.00 N ATOM 1852 CA SER A 107 24.165 7.166 2.890 1.00 0.00 C ATOM 1853 C SER A 107 24.201 8.629 2.444 1.00 0.00 C ATOM 1854 O SER A 107 25.039 9.360 2.944 1.00 0.00 O ATOM 1855 CB SER A 107 22.852 6.889 3.621 1.00 0.00 C ATOM 1856 OG SER A 107 21.775 7.453 2.883 1.00 0.00 O ATOM 1857 OXT SER A 107 23.390 8.994 1.609 1.00 0.00 O ATOM 0 H SER A 107 25.054 6.685 4.771 1.00 0.00 H new ATOM 0 HA SER A 107 24.239 6.518 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.706 5.815 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.884 7.315 4.624 1.00 0.00 H new ATOM 0 HG SER A 107 22.116 7.834 2.047 1.00 0.00 H new TER 1863 SER A 107