USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 23 HIS : no HE2:sc= -2.04! C(o=-2!,f=-7.5!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.63! C(o=-2.6!,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -0.99 (180deg=-1.01) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -80:sc= -0.549 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 140:sc= -1.76! USER MOD Single : A 43 THR OG1 : rot 140:sc= -0.768 USER MOD Single : A 49 MET CE :methyl -145:sc= -0.401 (180deg=-1.49!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.2! C(o=-3.2!,f=-7.6!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -149:sc= -0.317 (180deg=-1.55!) USER MOD Single : A 62 SER OG : rot 99:sc= -2.71 USER MOD Single : A 67 TYR OH : rot 30:sc= -1.7! USER MOD Single : A 73 GLN : amide:sc= -4.76! C(o=-4.8!,f=-11!) USER MOD Single : A 76 GLN : amide:sc= -4.32! C(o=-4.3!,f=-7.2!) USER MOD Single : A 77 THR OG1 : rot -170:sc= -1.16 USER MOD Single : A 83 MET CE :methyl -126:sc= -3.35! (180deg=-6.69!) USER MOD Single : A 86 ASN : amide:sc= -1.64 K(o=-1.6,f=-6.1!) USER MOD Single : A 92 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.43) USER MOD Single : A 95 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.452 0.629 -1.036 1.00 0.00 C ATOM 4 O GLU A 21 4.452 0.127 -1.549 1.00 0.00 O ATOM 5 CB GLU A 21 1.302 0.726 -2.349 1.00 0.00 C ATOM 6 CG GLU A 21 0.068 -0.073 -2.772 1.00 0.00 C ATOM 7 CD GLU A 21 0.458 -1.478 -3.238 1.00 0.00 C ATOM 8 OE1 GLU A 21 1.444 -1.636 -3.973 1.00 0.00 O ATOM 9 OE2 GLU A 21 -0.304 -2.426 -2.808 1.00 0.00 O ATOM 0 HA GLU A 21 2.210 -1.034 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.998 1.712 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.952 0.881 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.628 -0.143 -1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.450 0.450 -3.576 1.00 0.00 H new ATOM 17 N THR A 22 3.463 1.718 -0.282 1.00 0.00 N ATOM 18 CA THR A 22 4.703 2.420 0.002 1.00 0.00 C ATOM 19 C THR A 22 4.590 3.191 1.319 1.00 0.00 C ATOM 20 O THR A 22 3.562 3.131 1.991 1.00 0.00 O ATOM 21 CB THR A 22 5.026 3.312 -1.199 1.00 0.00 C ATOM 22 OG1 THR A 22 6.443 3.228 -1.322 1.00 0.00 O ATOM 23 CG2 THR A 22 4.764 4.792 -0.916 1.00 0.00 C ATOM 0 H THR A 22 2.632 2.132 0.141 1.00 0.00 H new ATOM 0 HA THR A 22 5.530 1.723 0.140 1.00 0.00 H new ATOM 0 HB THR A 22 4.432 2.996 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.739 3.776 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.009 5.380 -1.800 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.713 4.934 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.383 5.118 -0.080 1.00 0.00 H new ATOM 31 N HIS A 23 5.661 3.898 1.647 1.00 0.00 N ATOM 32 CA HIS A 23 5.696 4.680 2.871 1.00 0.00 C ATOM 33 C HIS A 23 5.938 6.152 2.533 1.00 0.00 C ATOM 34 O HIS A 23 7.044 6.531 2.152 1.00 0.00 O ATOM 35 CB HIS A 23 6.732 4.117 3.847 1.00 0.00 C ATOM 36 CG HIS A 23 6.715 4.774 5.206 1.00 0.00 C ATOM 37 ND1 HIS A 23 5.745 5.684 5.588 1.00 0.00 N ATOM 38 CD2 HIS A 23 7.559 4.642 6.270 1.00 0.00 C ATOM 39 CE1 HIS A 23 6.003 6.077 6.826 1.00 0.00 C ATOM 40 NE2 HIS A 23 7.128 5.430 7.247 1.00 0.00 N ATOM 0 H HIS A 23 6.512 3.946 1.086 1.00 0.00 H new ATOM 0 HA HIS A 23 4.733 4.613 3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.558 3.048 3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.725 4.230 3.412 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.963 5.999 5.013 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.430 4.005 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.425 6.785 7.401 1.00 0.00 H new ATOM 48 N ILE A 24 4.885 6.942 2.685 1.00 0.00 N ATOM 49 CA ILE A 24 4.969 8.364 2.400 1.00 0.00 C ATOM 50 C ILE A 24 4.006 9.121 3.317 1.00 0.00 C ATOM 51 O ILE A 24 3.320 8.515 4.138 1.00 0.00 O ATOM 52 CB ILE A 24 4.736 8.628 0.911 1.00 0.00 C ATOM 53 CG1 ILE A 24 3.367 8.106 0.470 1.00 0.00 C ATOM 54 CG2 ILE A 24 5.871 8.044 0.067 1.00 0.00 C ATOM 55 CD1 ILE A 24 2.848 8.885 -0.740 1.00 0.00 C ATOM 0 H ILE A 24 3.969 6.624 3.002 1.00 0.00 H new ATOM 0 HA ILE A 24 5.971 8.736 2.612 1.00 0.00 H new ATOM 0 HB ILE A 24 4.737 9.706 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.440 7.047 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.658 8.192 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.681 8.245 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.815 8.503 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.926 6.967 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.874 8.494 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.753 9.939 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.547 8.777 -1.569 1.00 0.00 H new ATOM 67 N ASN A 25 3.987 10.435 3.146 1.00 0.00 N ATOM 68 CA ASN A 25 3.119 11.281 3.947 1.00 0.00 C ATOM 69 C ASN A 25 1.883 11.658 3.128 1.00 0.00 C ATOM 70 O ASN A 25 1.854 11.459 1.915 1.00 0.00 O ATOM 71 CB ASN A 25 3.831 12.574 4.352 1.00 0.00 C ATOM 72 CG ASN A 25 4.027 13.493 3.144 1.00 0.00 C ATOM 73 OD1 ASN A 25 3.100 13.812 2.418 1.00 0.00 O ATOM 74 ND2 ASN A 25 5.281 13.899 2.972 1.00 0.00 N ATOM 0 H ASN A 25 4.559 10.934 2.465 1.00 0.00 H new ATOM 0 HA ASN A 25 2.841 10.726 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.249 13.090 5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.799 12.337 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.515 14.516 2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.009 13.594 3.618 1.00 0.00 H new ATOM 81 N LEU A 26 0.893 12.197 3.825 1.00 0.00 N ATOM 82 CA LEU A 26 -0.343 12.604 3.177 1.00 0.00 C ATOM 83 C LEU A 26 -0.794 13.949 3.749 1.00 0.00 C ATOM 84 O LEU A 26 -0.605 14.218 4.934 1.00 0.00 O ATOM 85 CB LEU A 26 -1.397 11.501 3.293 1.00 0.00 C ATOM 86 CG LEU A 26 -2.847 11.971 3.428 1.00 0.00 C ATOM 87 CD1 LEU A 26 -3.763 11.203 2.473 1.00 0.00 C ATOM 88 CD2 LEU A 26 -3.322 11.875 4.879 1.00 0.00 C ATOM 0 H LEU A 26 0.921 12.361 4.831 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.184 12.749 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.323 10.862 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.154 10.883 4.157 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.893 13.022 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.788 11.556 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.437 11.366 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.718 10.138 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.355 12.215 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.258 10.840 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.692 12.501 5.510 1.00 0.00 H new ATOM 100 N LYS A 27 -1.382 14.758 2.880 1.00 0.00 N ATOM 101 CA LYS A 27 -1.862 16.069 3.284 1.00 0.00 C ATOM 102 C LYS A 27 -3.225 16.328 2.640 1.00 0.00 C ATOM 103 O LYS A 27 -3.332 16.416 1.418 1.00 0.00 O ATOM 104 CB LYS A 27 -0.818 17.142 2.968 1.00 0.00 C ATOM 105 CG LYS A 27 -1.438 18.540 3.017 1.00 0.00 C ATOM 106 CD LYS A 27 -2.182 18.764 4.335 1.00 0.00 C ATOM 107 CE LYS A 27 -2.376 20.257 4.608 1.00 0.00 C ATOM 108 NZ LYS A 27 -2.405 20.518 6.064 1.00 0.00 N ATOM 0 H LYS A 27 -1.537 14.531 1.898 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.007 16.106 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.002 17.079 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.394 16.962 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.657 19.292 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.126 18.666 2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.152 18.268 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.623 18.310 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.568 20.825 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.306 20.598 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.638 21.517 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.124 19.914 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.473 20.306 6.473 1.00 0.00 H new ATOM 121 N VAL A 28 -4.234 16.444 3.492 1.00 0.00 N ATOM 122 CA VAL A 28 -5.586 16.692 3.021 1.00 0.00 C ATOM 123 C VAL A 28 -5.930 18.169 3.226 1.00 0.00 C ATOM 124 O VAL A 28 -5.857 18.677 4.344 1.00 0.00 O ATOM 125 CB VAL A 28 -6.565 15.747 3.721 1.00 0.00 C ATOM 126 CG1 VAL A 28 -5.901 14.405 4.037 1.00 0.00 C ATOM 127 CG2 VAL A 28 -7.136 16.389 4.987 1.00 0.00 C ATOM 0 H VAL A 28 -4.142 16.371 4.505 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.663 16.486 1.953 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.394 15.557 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.618 13.752 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.566 13.938 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.045 14.568 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.829 15.697 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.323 16.622 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.663 17.306 4.724 1.00 0.00 H new ATOM 137 N SER A 29 -6.298 18.816 2.130 1.00 0.00 N ATOM 138 CA SER A 29 -6.653 20.224 2.176 1.00 0.00 C ATOM 139 C SER A 29 -8.142 20.398 1.870 1.00 0.00 C ATOM 140 O SER A 29 -8.662 19.795 0.933 1.00 0.00 O ATOM 141 CB SER A 29 -5.811 21.037 1.191 1.00 0.00 C ATOM 142 OG SER A 29 -4.463 20.576 1.133 1.00 0.00 O ATOM 0 H SER A 29 -6.358 18.391 1.205 1.00 0.00 H new ATOM 0 HA SER A 29 -6.448 20.596 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.257 20.978 0.198 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.823 22.087 1.484 1.00 0.00 H new ATOM 0 HG SER A 29 -3.959 21.119 0.492 1.00 0.00 H new ATOM 148 N ASP A 30 -8.787 21.225 2.680 1.00 0.00 N ATOM 149 CA ASP A 30 -10.206 21.486 2.508 1.00 0.00 C ATOM 150 C ASP A 30 -10.520 22.907 2.982 1.00 0.00 C ATOM 151 O ASP A 30 -9.759 23.490 3.751 1.00 0.00 O ATOM 152 CB ASP A 30 -11.049 20.514 3.336 1.00 0.00 C ATOM 153 CG ASP A 30 -10.477 19.100 3.452 1.00 0.00 C ATOM 154 OD1 ASP A 30 -9.981 18.529 2.470 1.00 0.00 O ATOM 155 OD2 ASP A 30 -10.557 18.575 4.628 1.00 0.00 O ATOM 0 H ASP A 30 -8.353 21.723 3.457 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.446 21.362 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.170 20.924 4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.044 20.452 2.895 1.00 0.00 H new ATOM 161 N GLY A 31 -11.642 23.421 2.502 1.00 0.00 N ATOM 162 CA GLY A 31 -12.067 24.762 2.867 1.00 0.00 C ATOM 163 C GLY A 31 -11.373 25.227 4.150 1.00 0.00 C ATOM 164 O GLY A 31 -10.478 26.069 4.106 1.00 0.00 O ATOM 0 H GLY A 31 -12.270 22.933 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.840 25.453 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.148 24.779 3.007 1.00 0.00 H new ATOM 168 N SER A 32 -11.814 24.657 5.262 1.00 0.00 N ATOM 169 CA SER A 32 -11.247 25.001 6.554 1.00 0.00 C ATOM 170 C SER A 32 -10.676 23.751 7.226 1.00 0.00 C ATOM 171 O SER A 32 -10.070 23.837 8.293 1.00 0.00 O ATOM 172 CB SER A 32 -12.293 25.658 7.457 1.00 0.00 C ATOM 173 OG SER A 32 -12.013 27.037 7.683 1.00 0.00 O ATOM 0 H SER A 32 -12.557 23.959 5.294 1.00 0.00 H new ATOM 0 HA SER A 32 -10.442 25.718 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.279 25.558 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.328 25.134 8.412 1.00 0.00 H new ATOM 0 HG SER A 32 -12.704 27.420 8.262 1.00 0.00 H new ATOM 179 N SER A 33 -10.891 22.618 6.574 1.00 0.00 N ATOM 180 CA SER A 33 -10.405 21.351 7.095 1.00 0.00 C ATOM 181 C SER A 33 -9.133 20.934 6.354 1.00 0.00 C ATOM 182 O SER A 33 -9.192 20.514 5.199 1.00 0.00 O ATOM 183 CB SER A 33 -11.472 20.261 6.973 1.00 0.00 C ATOM 184 OG SER A 33 -10.908 18.953 7.030 1.00 0.00 O ATOM 0 H SER A 33 -11.395 22.551 5.690 1.00 0.00 H new ATOM 0 HA SER A 33 -10.175 21.481 8.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.202 20.376 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.010 20.383 6.033 1.00 0.00 H new ATOM 0 HG SER A 33 -10.530 18.721 6.156 1.00 0.00 H new ATOM 190 N GLU A 34 -8.013 21.063 7.049 1.00 0.00 N ATOM 191 CA GLU A 34 -6.729 20.704 6.472 1.00 0.00 C ATOM 192 C GLU A 34 -5.804 20.132 7.548 1.00 0.00 C ATOM 193 O GLU A 34 -5.631 20.735 8.607 1.00 0.00 O ATOM 194 CB GLU A 34 -6.085 21.906 5.778 1.00 0.00 C ATOM 195 CG GLU A 34 -6.293 23.185 6.591 1.00 0.00 C ATOM 196 CD GLU A 34 -4.991 23.982 6.703 1.00 0.00 C ATOM 197 OE1 GLU A 34 -3.902 23.419 6.515 1.00 0.00 O ATOM 198 OE2 GLU A 34 -5.139 25.229 6.996 1.00 0.00 O ATOM 0 H GLU A 34 -7.968 21.411 8.007 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.894 19.935 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.018 21.725 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.514 22.029 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.060 23.799 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.655 22.932 7.587 1.00 0.00 H new ATOM 206 N ILE A 35 -5.234 18.976 7.241 1.00 0.00 N ATOM 207 CA ILE A 35 -4.332 18.317 8.169 1.00 0.00 C ATOM 208 C ILE A 35 -3.233 17.599 7.382 1.00 0.00 C ATOM 209 O ILE A 35 -3.413 17.279 6.208 1.00 0.00 O ATOM 210 CB ILE A 35 -5.111 17.399 9.113 1.00 0.00 C ATOM 211 CG1 ILE A 35 -5.083 17.935 10.546 1.00 0.00 C ATOM 212 CG2 ILE A 35 -4.595 15.961 9.030 1.00 0.00 C ATOM 213 CD1 ILE A 35 -3.826 17.468 11.282 1.00 0.00 C ATOM 0 H ILE A 35 -5.380 18.479 6.362 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.841 19.051 8.808 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.153 17.386 8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.116 19.024 10.531 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.970 17.596 11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.166 15.330 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.709 15.592 8.011 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.542 15.936 9.309 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.831 17.863 12.298 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.808 16.379 11.316 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.942 17.829 10.757 1.00 0.00 H new ATOM 225 N PHE A 36 -2.118 17.368 8.060 1.00 0.00 N ATOM 226 CA PHE A 36 -0.990 16.695 7.439 1.00 0.00 C ATOM 227 C PHE A 36 -0.374 15.667 8.390 1.00 0.00 C ATOM 228 O PHE A 36 -0.028 15.994 9.524 1.00 0.00 O ATOM 229 CB PHE A 36 0.053 17.769 7.123 1.00 0.00 C ATOM 230 CG PHE A 36 0.868 17.491 5.858 1.00 0.00 C ATOM 231 CD1 PHE A 36 1.196 16.213 5.527 1.00 0.00 C ATOM 232 CD2 PHE A 36 1.264 18.522 5.064 1.00 0.00 C ATOM 233 CE1 PHE A 36 1.952 15.956 4.353 1.00 0.00 C ATOM 234 CE2 PHE A 36 2.020 18.264 3.890 1.00 0.00 C ATOM 235 CZ PHE A 36 2.348 16.986 3.559 1.00 0.00 C ATOM 0 H PHE A 36 -1.972 17.635 9.034 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.318 16.170 6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.451 18.730 7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.734 17.860 7.969 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.881 15.394 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.003 19.537 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.213 14.941 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.335 19.083 3.260 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.923 16.790 2.666 1.00 0.00 H new ATOM 245 N PHE A 37 -0.257 14.444 7.893 1.00 0.00 N ATOM 246 CA PHE A 37 0.312 13.366 8.684 1.00 0.00 C ATOM 247 C PHE A 37 1.045 12.361 7.794 1.00 0.00 C ATOM 248 O PHE A 37 0.814 12.310 6.587 1.00 0.00 O ATOM 249 CB PHE A 37 -0.854 12.660 9.379 1.00 0.00 C ATOM 250 CG PHE A 37 -1.221 13.257 10.739 1.00 0.00 C ATOM 251 CD1 PHE A 37 -0.292 13.313 11.731 1.00 0.00 C ATOM 252 CD2 PHE A 37 -2.477 13.731 10.957 1.00 0.00 C ATOM 253 CE1 PHE A 37 -0.633 13.867 12.993 1.00 0.00 C ATOM 254 CE2 PHE A 37 -2.818 14.285 12.219 1.00 0.00 C ATOM 255 CZ PHE A 37 -1.889 14.341 13.210 1.00 0.00 C ATOM 0 H PHE A 37 -0.547 14.176 6.952 1.00 0.00 H new ATOM 0 HA PHE A 37 1.030 13.767 9.399 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.728 12.698 8.729 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.601 11.608 9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.705 12.936 11.559 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.215 13.686 10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.105 13.912 13.780 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.815 14.662 12.392 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.149 14.762 14.170 1.00 0.00 H new ATOM 265 N LYS A 38 1.914 11.584 8.425 1.00 0.00 N ATOM 266 CA LYS A 38 2.682 10.583 7.705 1.00 0.00 C ATOM 267 C LYS A 38 2.055 9.205 7.932 1.00 0.00 C ATOM 268 O LYS A 38 1.538 8.925 9.012 1.00 0.00 O ATOM 269 CB LYS A 38 4.159 10.658 8.096 1.00 0.00 C ATOM 270 CG LYS A 38 4.823 11.897 7.494 1.00 0.00 C ATOM 271 CD LYS A 38 6.213 11.564 6.946 1.00 0.00 C ATOM 272 CE LYS A 38 6.921 12.824 6.444 1.00 0.00 C ATOM 273 NZ LYS A 38 8.248 12.484 5.883 1.00 0.00 N ATOM 0 H LYS A 38 2.103 11.628 9.426 1.00 0.00 H new ATOM 0 HA LYS A 38 2.649 10.776 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.251 10.683 9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.676 9.761 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.199 12.296 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.904 12.675 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.812 11.092 7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.124 10.844 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.312 13.312 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.037 13.534 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.715 13.350 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.832 12.039 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.130 11.824 5.088 1.00 0.00 H new ATOM 286 N ILE A 39 2.122 8.382 6.896 1.00 0.00 N ATOM 287 CA ILE A 39 1.568 7.041 6.968 1.00 0.00 C ATOM 288 C ILE A 39 2.409 6.099 6.105 1.00 0.00 C ATOM 289 O ILE A 39 3.258 6.547 5.337 1.00 0.00 O ATOM 290 CB ILE A 39 0.084 7.054 6.596 1.00 0.00 C ATOM 291 CG1 ILE A 39 -0.231 8.202 5.634 1.00 0.00 C ATOM 292 CG2 ILE A 39 -0.795 7.099 7.848 1.00 0.00 C ATOM 293 CD1 ILE A 39 -0.455 9.510 6.395 1.00 0.00 C ATOM 0 H ILE A 39 2.552 8.618 6.002 1.00 0.00 H new ATOM 0 HA ILE A 39 1.614 6.665 7.990 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.145 6.125 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.590 8.324 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.120 7.959 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.845 7.107 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.597 6.221 8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.570 8.000 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.677 10.309 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.292 9.392 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.444 9.762 6.957 1.00 0.00 H new ATOM 305 N LYS A 40 2.144 4.810 6.262 1.00 0.00 N ATOM 306 CA LYS A 40 2.867 3.800 5.507 1.00 0.00 C ATOM 307 C LYS A 40 1.999 3.325 4.340 1.00 0.00 C ATOM 308 O LYS A 40 1.612 2.158 4.285 1.00 0.00 O ATOM 309 CB LYS A 40 3.330 2.671 6.429 1.00 0.00 C ATOM 310 CG LYS A 40 4.007 1.554 5.631 1.00 0.00 C ATOM 311 CD LYS A 40 5.530 1.641 5.751 1.00 0.00 C ATOM 312 CE LYS A 40 6.042 0.752 6.886 1.00 0.00 C ATOM 313 NZ LYS A 40 7.369 1.216 7.350 1.00 0.00 N ATOM 0 H LYS A 40 1.439 4.442 6.901 1.00 0.00 H new ATOM 0 HA LYS A 40 3.776 4.222 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.024 3.065 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.476 2.268 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.665 0.585 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.717 1.623 4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.990 1.338 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.826 2.674 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.335 0.767 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.110 -0.281 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.702 0.602 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.045 1.179 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.294 2.194 7.695 1.00 0.00 H new ATOM 326 N LYS A 41 1.720 4.252 3.435 1.00 0.00 N ATOM 327 CA LYS A 41 0.905 3.942 2.273 1.00 0.00 C ATOM 328 C LYS A 41 0.745 5.200 1.418 1.00 0.00 C ATOM 329 O LYS A 41 0.409 6.266 1.932 1.00 0.00 O ATOM 330 CB LYS A 41 -0.424 3.315 2.701 1.00 0.00 C ATOM 331 CG LYS A 41 -0.603 1.930 2.078 1.00 0.00 C ATOM 332 CD LYS A 41 -2.068 1.493 2.125 1.00 0.00 C ATOM 333 CE LYS A 41 -2.381 0.762 3.433 1.00 0.00 C ATOM 334 NZ LYS A 41 -3.829 0.474 3.533 1.00 0.00 N ATOM 0 H LYS A 41 2.044 5.218 3.483 1.00 0.00 H new ATOM 0 HA LYS A 41 1.397 3.194 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.460 3.236 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.249 3.962 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.257 1.945 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.014 1.206 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.715 2.365 2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.284 0.840 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.815 -0.168 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.066 1.370 4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.023 -0.022 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.363 1.366 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.120 -0.125 2.734 1.00 0.00 H new ATOM 347 N THR A 42 0.991 5.035 0.126 1.00 0.00 N ATOM 348 CA THR A 42 0.878 6.144 -0.805 1.00 0.00 C ATOM 349 C THR A 42 -0.563 6.279 -1.301 1.00 0.00 C ATOM 350 O THR A 42 -1.086 7.388 -1.405 1.00 0.00 O ATOM 351 CB THR A 42 1.890 5.921 -1.931 1.00 0.00 C ATOM 352 OG1 THR A 42 1.431 6.767 -2.982 1.00 0.00 O ATOM 353 CG2 THR A 42 1.807 4.513 -2.523 1.00 0.00 C ATOM 0 H THR A 42 1.268 4.149 -0.297 1.00 0.00 H new ATOM 0 HA THR A 42 1.112 7.092 -0.321 1.00 0.00 H new ATOM 0 HB THR A 42 2.897 6.097 -1.554 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.198 7.194 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.546 4.408 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.006 3.778 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.810 4.348 -2.931 1.00 0.00 H new ATOM 361 N THR A 43 -1.164 5.136 -1.594 1.00 0.00 N ATOM 362 CA THR A 43 -2.534 5.112 -2.077 1.00 0.00 C ATOM 363 C THR A 43 -3.357 6.210 -1.400 1.00 0.00 C ATOM 364 O THR A 43 -3.882 6.012 -0.305 1.00 0.00 O ATOM 365 CB THR A 43 -3.092 3.706 -1.847 1.00 0.00 C ATOM 366 OG1 THR A 43 -4.505 3.877 -1.924 1.00 0.00 O ATOM 367 CG2 THR A 43 -2.854 3.207 -0.421 1.00 0.00 C ATOM 0 H THR A 43 -0.727 4.219 -1.506 1.00 0.00 H new ATOM 0 HA THR A 43 -2.581 5.325 -3.145 1.00 0.00 H new ATOM 0 HB THR A 43 -2.635 3.014 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.900 3.122 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.269 2.205 -0.312 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.783 3.180 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.340 3.880 0.286 1.00 0.00 H new ATOM 375 N PRO A 44 -3.446 7.374 -2.097 1.00 0.00 N ATOM 376 CA PRO A 44 -4.195 8.504 -1.576 1.00 0.00 C ATOM 377 C PRO A 44 -5.702 8.271 -1.707 1.00 0.00 C ATOM 378 O PRO A 44 -6.448 8.457 -0.747 1.00 0.00 O ATOM 379 CB PRO A 44 -3.708 9.702 -2.374 1.00 0.00 C ATOM 380 CG PRO A 44 -3.051 9.133 -3.621 1.00 0.00 C ATOM 381 CD PRO A 44 -2.837 7.645 -3.397 1.00 0.00 C ATOM 0 HA PRO A 44 -4.032 8.660 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.537 10.360 -2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.000 10.295 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.681 9.301 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.100 9.631 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.305 7.055 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.777 7.393 -3.398 1.00 0.00 H new ATOM 389 N LEU A 45 -6.103 7.866 -2.903 1.00 0.00 N ATOM 390 CA LEU A 45 -7.507 7.605 -3.172 1.00 0.00 C ATOM 391 C LEU A 45 -8.122 6.867 -1.981 1.00 0.00 C ATOM 392 O LEU A 45 -9.294 7.062 -1.662 1.00 0.00 O ATOM 393 CB LEU A 45 -7.669 6.868 -4.503 1.00 0.00 C ATOM 394 CG LEU A 45 -7.073 5.460 -4.567 1.00 0.00 C ATOM 395 CD1 LEU A 45 -7.429 4.773 -5.886 1.00 0.00 C ATOM 396 CD2 LEU A 45 -5.563 5.493 -4.327 1.00 0.00 C ATOM 0 H LEU A 45 -5.481 7.712 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.054 8.541 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.733 6.802 -4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.211 7.471 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.513 4.866 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.993 3.774 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.513 4.698 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.035 5.357 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.164 4.480 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.087 6.109 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.360 5.914 -3.342 1.00 0.00 H new ATOM 408 N ARG A 46 -7.303 6.034 -1.355 1.00 0.00 N ATOM 409 CA ARG A 46 -7.751 5.265 -0.207 1.00 0.00 C ATOM 410 C ARG A 46 -7.328 5.956 1.092 1.00 0.00 C ATOM 411 O ARG A 46 -7.961 5.774 2.131 1.00 0.00 O ATOM 412 CB ARG A 46 -7.176 3.848 -0.233 1.00 0.00 C ATOM 413 CG ARG A 46 -7.722 3.057 -1.423 1.00 0.00 C ATOM 414 CD ARG A 46 -8.895 2.171 -1.000 1.00 0.00 C ATOM 415 NE ARG A 46 -9.192 1.182 -2.061 1.00 0.00 N ATOM 416 CZ ARG A 46 -10.358 0.510 -2.165 1.00 0.00 C ATOM 417 NH1 ARG A 46 -11.349 0.715 -1.272 1.00 0.00 N ATOM 418 NH2 ARG A 46 -10.514 -0.351 -3.154 1.00 0.00 N ATOM 0 H ARG A 46 -6.331 5.875 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.838 5.204 -0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.088 3.894 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.425 3.334 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.045 3.745 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.930 2.440 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.656 1.657 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.775 2.785 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.470 0.997 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.220 1.382 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.227 0.203 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.760 -0.500 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.389 -0.867 -3.247 1.00 0.00 H new ATOM 431 N ARG A 47 -6.260 6.734 0.990 1.00 0.00 N ATOM 432 CA ARG A 47 -5.745 7.452 2.143 1.00 0.00 C ATOM 433 C ARG A 47 -6.685 8.600 2.516 1.00 0.00 C ATOM 434 O ARG A 47 -7.337 8.560 3.559 1.00 0.00 O ATOM 435 CB ARG A 47 -4.350 8.015 1.863 1.00 0.00 C ATOM 436 CG ARG A 47 -3.420 7.792 3.057 1.00 0.00 C ATOM 437 CD ARG A 47 -2.822 6.383 3.031 1.00 0.00 C ATOM 438 NE ARG A 47 -2.297 6.031 4.369 1.00 0.00 N ATOM 439 CZ ARG A 47 -3.067 5.626 5.402 1.00 0.00 C ATOM 440 NH1 ARG A 47 -4.405 5.519 5.258 1.00 0.00 N ATOM 441 NH2 ARG A 47 -2.491 5.337 6.554 1.00 0.00 N ATOM 0 H ARG A 47 -5.738 6.883 0.127 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.680 6.747 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.932 7.537 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.421 9.081 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.619 8.531 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.972 7.940 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.582 5.662 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.022 6.332 2.292 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.291 6.098 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.841 5.745 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.980 5.212 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.479 5.421 6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.058 5.030 7.345 1.00 0.00 H new ATOM 454 N LEU A 48 -6.725 9.597 1.645 1.00 0.00 N ATOM 455 CA LEU A 48 -7.574 10.755 1.870 1.00 0.00 C ATOM 456 C LEU A 48 -8.998 10.285 2.176 1.00 0.00 C ATOM 457 O LEU A 48 -9.696 10.895 2.984 1.00 0.00 O ATOM 458 CB LEU A 48 -7.486 11.722 0.688 1.00 0.00 C ATOM 459 CG LEU A 48 -7.333 13.202 1.042 1.00 0.00 C ATOM 460 CD1 LEU A 48 -6.010 13.759 0.512 1.00 0.00 C ATOM 461 CD2 LEU A 48 -8.534 14.012 0.549 1.00 0.00 C ATOM 0 H LEU A 48 -6.183 9.627 0.781 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.230 11.318 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.640 11.428 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.384 11.605 0.081 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.309 13.292 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.927 14.813 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.180 13.207 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.980 13.655 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.399 15.061 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.616 13.919 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.444 13.634 1.015 1.00 0.00 H new ATOM 473 N MET A 49 -9.386 9.206 1.513 1.00 0.00 N ATOM 474 CA MET A 49 -10.714 8.648 1.704 1.00 0.00 C ATOM 475 C MET A 49 -11.094 8.631 3.186 1.00 0.00 C ATOM 476 O MET A 49 -12.229 8.942 3.543 1.00 0.00 O ATOM 477 CB MET A 49 -10.753 7.222 1.151 1.00 0.00 C ATOM 478 CG MET A 49 -12.099 6.929 0.484 1.00 0.00 C ATOM 479 SD MET A 49 -13.226 6.216 1.670 1.00 0.00 S ATOM 480 CE MET A 49 -12.386 4.679 2.010 1.00 0.00 C ATOM 0 H MET A 49 -8.804 8.703 0.843 1.00 0.00 H new ATOM 0 HA MET A 49 -11.430 9.274 1.172 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.948 7.086 0.429 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.581 6.510 1.958 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.520 7.848 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.958 6.245 -0.353 1.00 0.00 H new ATOM 0 HE1 MET A 49 -13.121 3.893 2.181 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.759 4.411 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.764 4.793 2.898 1.00 0.00 H new ATOM 490 N GLU A 50 -10.122 8.264 4.009 1.00 0.00 N ATOM 491 CA GLU A 50 -10.340 8.203 5.444 1.00 0.00 C ATOM 492 C GLU A 50 -9.752 9.441 6.124 1.00 0.00 C ATOM 493 O GLU A 50 -10.415 10.080 6.939 1.00 0.00 O ATOM 494 CB GLU A 50 -9.750 6.921 6.034 1.00 0.00 C ATOM 495 CG GLU A 50 -10.669 6.338 7.110 1.00 0.00 C ATOM 496 CD GLU A 50 -10.315 4.879 7.402 1.00 0.00 C ATOM 497 OE1 GLU A 50 -9.987 4.538 8.549 1.00 0.00 O ATOM 498 OE2 GLU A 50 -10.390 4.086 6.388 1.00 0.00 O ATOM 0 H GLU A 50 -9.182 8.006 3.709 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.414 8.188 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.601 6.187 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.770 7.131 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.584 6.926 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.707 6.406 6.783 1.00 0.00 H new ATOM 506 N ALA A 51 -8.513 9.742 5.763 1.00 0.00 N ATOM 507 CA ALA A 51 -7.827 10.892 6.328 1.00 0.00 C ATOM 508 C ALA A 51 -8.774 12.093 6.332 1.00 0.00 C ATOM 509 O ALA A 51 -9.221 12.533 7.390 1.00 0.00 O ATOM 510 CB ALA A 51 -6.546 11.162 5.538 1.00 0.00 C ATOM 0 H ALA A 51 -7.966 9.209 5.086 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.537 10.697 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.032 12.025 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.895 10.289 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.797 11.365 4.497 1.00 0.00 H new ATOM 516 N PHE A 52 -9.052 12.591 5.136 1.00 0.00 N ATOM 517 CA PHE A 52 -9.938 13.733 4.988 1.00 0.00 C ATOM 518 C PHE A 52 -11.271 13.490 5.699 1.00 0.00 C ATOM 519 O PHE A 52 -11.866 14.418 6.245 1.00 0.00 O ATOM 520 CB PHE A 52 -10.198 13.907 3.490 1.00 0.00 C ATOM 521 CG PHE A 52 -11.605 14.404 3.156 1.00 0.00 C ATOM 522 CD1 PHE A 52 -11.952 15.693 3.420 1.00 0.00 C ATOM 523 CD2 PHE A 52 -12.510 13.558 2.595 1.00 0.00 C ATOM 524 CE1 PHE A 52 -13.259 16.154 3.110 1.00 0.00 C ATOM 525 CE2 PHE A 52 -13.817 14.019 2.285 1.00 0.00 C ATOM 526 CZ PHE A 52 -14.164 15.308 2.549 1.00 0.00 C ATOM 0 H PHE A 52 -8.679 12.224 4.260 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.479 14.618 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.470 14.610 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.033 12.953 2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.234 16.365 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.235 12.535 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.534 17.177 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.535 13.347 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 52 -15.158 15.659 2.313 1.00 0.00 H new ATOM 536 N ALA A 53 -11.700 12.237 5.670 1.00 0.00 N ATOM 537 CA ALA A 53 -12.951 11.859 6.306 1.00 0.00 C ATOM 538 C ALA A 53 -12.733 11.730 7.814 1.00 0.00 C ATOM 539 O ALA A 53 -13.676 11.471 8.561 1.00 0.00 O ATOM 540 CB ALA A 53 -13.472 10.564 5.679 1.00 0.00 C ATOM 0 H ALA A 53 -11.204 11.470 5.216 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.709 12.626 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.410 10.281 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.639 10.717 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.739 9.770 5.821 1.00 0.00 H new ATOM 546 N LYS A 54 -11.485 11.917 8.218 1.00 0.00 N ATOM 547 CA LYS A 54 -11.132 11.825 9.624 1.00 0.00 C ATOM 548 C LYS A 54 -11.082 13.230 10.227 1.00 0.00 C ATOM 549 O LYS A 54 -11.277 13.401 11.429 1.00 0.00 O ATOM 550 CB LYS A 54 -9.833 11.034 9.800 1.00 0.00 C ATOM 551 CG LYS A 54 -9.778 10.368 11.176 1.00 0.00 C ATOM 552 CD LYS A 54 -10.871 9.306 11.315 1.00 0.00 C ATOM 553 CE LYS A 54 -10.379 8.119 12.145 1.00 0.00 C ATOM 554 NZ LYS A 54 -10.016 6.986 11.264 1.00 0.00 N ATOM 0 H LYS A 54 -10.706 12.132 7.596 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.894 11.270 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.757 10.275 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.979 11.700 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.800 9.910 11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.897 11.122 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.751 9.744 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.177 8.962 10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.515 8.416 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.156 7.809 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.684 6.188 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.849 6.692 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.259 7.280 10.614 1.00 0.00 H new ATOM 567 N ARG A 55 -10.821 14.201 9.363 1.00 0.00 N ATOM 568 CA ARG A 55 -10.743 15.586 9.795 1.00 0.00 C ATOM 569 C ARG A 55 -12.038 16.324 9.446 1.00 0.00 C ATOM 570 O ARG A 55 -12.611 17.011 10.290 1.00 0.00 O ATOM 571 CB ARG A 55 -9.563 16.303 9.137 1.00 0.00 C ATOM 572 CG ARG A 55 -8.796 17.147 10.157 1.00 0.00 C ATOM 573 CD ARG A 55 -9.313 18.587 10.176 1.00 0.00 C ATOM 574 NE ARG A 55 -9.019 19.212 11.485 1.00 0.00 N ATOM 575 CZ ARG A 55 -9.596 18.841 12.648 1.00 0.00 C ATOM 576 NH1 ARG A 55 -10.504 17.842 12.674 1.00 0.00 N ATOM 577 NH2 ARG A 55 -9.260 19.469 13.759 1.00 0.00 N ATOM 0 H ARG A 55 -10.661 14.055 8.366 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.598 15.589 10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.892 15.570 8.688 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.924 16.941 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.898 16.707 11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.734 17.141 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.845 19.161 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.387 18.599 9.991 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.338 19.971 11.510 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.759 17.362 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.935 17.568 13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.573 20.223 13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.687 19.201 14.646 1.00 0.00 H new ATOM 590 N GLN A 56 -12.460 16.155 8.202 1.00 0.00 N ATOM 591 CA GLN A 56 -13.676 16.797 7.732 1.00 0.00 C ATOM 592 C GLN A 56 -14.861 15.834 7.840 1.00 0.00 C ATOM 593 O GLN A 56 -15.954 16.231 8.240 1.00 0.00 O ATOM 594 CB GLN A 56 -13.510 17.302 6.297 1.00 0.00 C ATOM 595 CG GLN A 56 -14.691 18.184 5.886 1.00 0.00 C ATOM 596 CD GLN A 56 -14.828 19.387 6.822 1.00 0.00 C ATOM 597 OE1 GLN A 56 -14.148 20.391 6.688 1.00 0.00 O ATOM 598 NE2 GLN A 56 -15.743 19.229 7.774 1.00 0.00 N ATOM 0 H GLN A 56 -11.982 15.583 7.505 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.876 17.661 8.366 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.582 17.868 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.430 16.454 5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.552 18.530 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.610 17.599 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.277 18.362 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.910 19.975 8.449 1.00 0.00 H new ATOM 607 N GLY A 57 -14.603 14.586 7.477 1.00 0.00 N ATOM 608 CA GLY A 57 -15.634 13.564 7.528 1.00 0.00 C ATOM 609 C GLY A 57 -16.407 13.631 8.847 1.00 0.00 C ATOM 610 O GLY A 57 -17.555 13.194 8.920 1.00 0.00 O ATOM 0 H GLY A 57 -13.695 14.260 7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.322 13.694 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.181 12.579 7.418 1.00 0.00 H new ATOM 614 N LYS A 58 -15.748 14.181 9.855 1.00 0.00 N ATOM 615 CA LYS A 58 -16.359 14.311 11.167 1.00 0.00 C ATOM 616 C LYS A 58 -17.625 15.163 11.053 1.00 0.00 C ATOM 617 O LYS A 58 -18.586 14.954 11.792 1.00 0.00 O ATOM 618 CB LYS A 58 -15.345 14.849 12.180 1.00 0.00 C ATOM 619 CG LYS A 58 -15.013 13.793 13.236 1.00 0.00 C ATOM 620 CD LYS A 58 -13.520 13.804 13.572 1.00 0.00 C ATOM 621 CE LYS A 58 -12.988 12.381 13.755 1.00 0.00 C ATOM 622 NZ LYS A 58 -12.675 12.124 15.178 1.00 0.00 N ATOM 0 H LYS A 58 -14.796 14.542 9.790 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.664 13.335 11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.434 15.151 11.663 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.746 15.739 12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.594 13.981 14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.300 12.807 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.968 14.303 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.353 14.378 14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.728 11.662 13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.093 12.240 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.315 11.154 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.953 12.799 15.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.537 12.238 15.749 1.00 0.00 H new ATOM 635 N GLU A 59 -17.584 16.105 10.122 1.00 0.00 N ATOM 636 CA GLU A 59 -18.716 16.989 9.902 1.00 0.00 C ATOM 637 C GLU A 59 -19.554 16.494 8.722 1.00 0.00 C ATOM 638 O GLU A 59 -20.665 16.974 8.500 1.00 0.00 O ATOM 639 CB GLU A 59 -18.251 18.429 9.679 1.00 0.00 C ATOM 640 CG GLU A 59 -19.114 19.413 10.472 1.00 0.00 C ATOM 641 CD GLU A 59 -18.504 20.816 10.453 1.00 0.00 C ATOM 642 OE1 GLU A 59 -17.713 21.160 11.343 1.00 0.00 O ATOM 643 OE2 GLU A 59 -18.878 21.560 9.467 1.00 0.00 O ATOM 0 H GLU A 59 -16.785 16.275 9.512 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.340 16.978 10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.208 18.529 9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.300 18.670 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.118 19.444 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.211 19.069 11.502 1.00 0.00 H new ATOM 651 N MET A 60 -18.990 15.540 7.996 1.00 0.00 N ATOM 652 CA MET A 60 -19.672 14.975 6.844 1.00 0.00 C ATOM 653 C MET A 60 -20.443 16.053 6.079 1.00 0.00 C ATOM 654 O MET A 60 -21.467 15.768 5.460 1.00 0.00 O ATOM 655 CB MET A 60 -20.642 13.886 7.307 1.00 0.00 C ATOM 656 CG MET A 60 -20.448 12.600 6.502 1.00 0.00 C ATOM 657 SD MET A 60 -21.473 11.300 7.170 1.00 0.00 S ATOM 658 CE MET A 60 -20.778 11.168 8.808 1.00 0.00 C ATOM 0 H MET A 60 -18.069 15.144 8.183 1.00 0.00 H new ATOM 0 HA MET A 60 -18.923 14.548 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 60 -20.487 13.683 8.367 1.00 0.00 H new ATOM 0 HB3 MET A 60 -21.668 14.237 7.196 1.00 0.00 H new ATOM 0 HG2 MET A 60 -20.703 12.774 5.457 1.00 0.00 H new ATOM 0 HG3 MET A 60 -19.401 12.299 6.529 1.00 0.00 H new ATOM 0 HE1 MET A 60 -20.866 10.140 9.159 1.00 0.00 H new ATOM 0 HE2 MET A 60 -19.726 11.454 8.781 1.00 0.00 H new ATOM 0 HE3 MET A 60 -21.317 11.830 9.486 1.00 0.00 H new ATOM 668 N ASP A 61 -19.921 17.269 6.147 1.00 0.00 N ATOM 669 CA ASP A 61 -20.547 18.391 5.469 1.00 0.00 C ATOM 670 C ASP A 61 -19.865 18.609 4.117 1.00 0.00 C ATOM 671 O ASP A 61 -20.345 19.388 3.294 1.00 0.00 O ATOM 672 CB ASP A 61 -20.402 19.677 6.284 1.00 0.00 C ATOM 673 CG ASP A 61 -21.663 20.113 7.034 1.00 0.00 C ATOM 674 OD1 ASP A 61 -22.351 21.062 6.629 1.00 0.00 O ATOM 675 OD2 ASP A 61 -21.934 19.424 8.091 1.00 0.00 O ATOM 0 H ASP A 61 -19.071 17.502 6.661 1.00 0.00 H new ATOM 0 HA ASP A 61 -21.605 18.161 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -19.596 19.543 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -20.099 20.482 5.614 1.00 0.00 H new ATOM 681 N SER A 62 -18.756 17.908 3.929 1.00 0.00 N ATOM 682 CA SER A 62 -18.004 18.015 2.691 1.00 0.00 C ATOM 683 C SER A 62 -17.896 16.643 2.023 1.00 0.00 C ATOM 684 O SER A 62 -17.451 15.680 2.645 1.00 0.00 O ATOM 685 CB SER A 62 -16.610 18.595 2.942 1.00 0.00 C ATOM 686 OG SER A 62 -15.651 17.577 3.218 1.00 0.00 O ATOM 0 H SER A 62 -18.361 17.264 4.614 1.00 0.00 H new ATOM 0 HA SER A 62 -18.536 18.694 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.292 19.166 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.652 19.291 3.780 1.00 0.00 H new ATOM 0 HG SER A 62 -15.139 17.381 2.406 1.00 0.00 H new ATOM 692 N LEU A 63 -18.311 16.598 0.766 1.00 0.00 N ATOM 693 CA LEU A 63 -18.266 15.359 0.007 1.00 0.00 C ATOM 694 C LEU A 63 -17.789 15.655 -1.416 1.00 0.00 C ATOM 695 O LEU A 63 -18.343 15.131 -2.381 1.00 0.00 O ATOM 696 CB LEU A 63 -19.618 14.646 0.067 1.00 0.00 C ATOM 697 CG LEU A 63 -20.758 15.422 0.730 1.00 0.00 C ATOM 698 CD1 LEU A 63 -22.119 14.884 0.285 1.00 0.00 C ATOM 699 CD2 LEU A 63 -20.611 15.419 2.253 1.00 0.00 C ATOM 0 H LEU A 63 -18.680 17.399 0.254 1.00 0.00 H new ATOM 0 HA LEU A 63 -17.547 14.668 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -19.919 14.395 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -19.487 13.705 0.602 1.00 0.00 H new ATOM 0 HG LEU A 63 -20.699 16.460 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -22.912 15.453 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -22.213 14.982 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -22.204 13.834 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -21.434 15.977 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -20.629 14.392 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -19.665 15.885 2.528 1.00 0.00 H new ATOM 711 N ARG A 64 -16.767 16.494 -1.501 1.00 0.00 N ATOM 712 CA ARG A 64 -16.210 16.865 -2.790 1.00 0.00 C ATOM 713 C ARG A 64 -14.722 16.512 -2.847 1.00 0.00 C ATOM 714 O ARG A 64 -13.889 17.229 -2.295 1.00 0.00 O ATOM 715 CB ARG A 64 -16.382 18.362 -3.054 1.00 0.00 C ATOM 716 CG ARG A 64 -16.293 18.669 -4.550 1.00 0.00 C ATOM 717 CD ARG A 64 -17.686 18.865 -5.153 1.00 0.00 C ATOM 718 NE ARG A 64 -17.958 20.307 -5.341 1.00 0.00 N ATOM 719 CZ ARG A 64 -18.884 20.798 -6.192 1.00 0.00 C ATOM 720 NH1 ARG A 64 -19.636 19.965 -6.942 1.00 0.00 N ATOM 721 NH2 ARG A 64 -19.043 22.106 -6.279 1.00 0.00 N ATOM 0 H ARG A 64 -16.311 16.927 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.749 16.308 -3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -17.345 18.695 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.614 18.920 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.696 19.567 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.782 17.854 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -17.754 18.346 -6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.439 18.427 -4.499 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.412 20.972 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -19.507 18.956 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.333 20.345 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.471 22.728 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -19.738 22.494 -6.917 1.00 0.00 H new ATOM 734 N PHE A 65 -14.434 15.407 -3.519 1.00 0.00 N ATOM 735 CA PHE A 65 -13.062 14.950 -3.654 1.00 0.00 C ATOM 736 C PHE A 65 -12.496 15.313 -5.029 1.00 0.00 C ATOM 737 O PHE A 65 -12.873 14.717 -6.037 1.00 0.00 O ATOM 738 CB PHE A 65 -13.081 13.427 -3.511 1.00 0.00 C ATOM 739 CG PHE A 65 -13.837 12.928 -2.277 1.00 0.00 C ATOM 740 CD1 PHE A 65 -15.195 12.861 -2.293 1.00 0.00 C ATOM 741 CD2 PHE A 65 -13.150 12.550 -1.166 1.00 0.00 C ATOM 742 CE1 PHE A 65 -15.896 12.398 -1.148 1.00 0.00 C ATOM 743 CE2 PHE A 65 -13.851 12.087 -0.021 1.00 0.00 C ATOM 744 CZ PHE A 65 -15.209 12.021 -0.036 1.00 0.00 C ATOM 0 H PHE A 65 -15.128 14.815 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 65 -12.437 15.422 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.535 12.994 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.054 13.063 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -15.740 13.160 -3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.071 12.602 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -16.975 12.345 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.305 11.787 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 65 -15.742 11.669 0.835 1.00 0.00 H new ATOM 754 N LEU A 66 -11.601 16.290 -5.026 1.00 0.00 N ATOM 755 CA LEU A 66 -10.980 16.740 -6.260 1.00 0.00 C ATOM 756 C LEU A 66 -9.683 17.482 -5.932 1.00 0.00 C ATOM 757 O LEU A 66 -9.445 17.846 -4.781 1.00 0.00 O ATOM 758 CB LEU A 66 -11.968 17.565 -7.087 1.00 0.00 C ATOM 759 CG LEU A 66 -12.177 19.011 -6.635 1.00 0.00 C ATOM 760 CD1 LEU A 66 -10.985 19.886 -7.026 1.00 0.00 C ATOM 761 CD2 LEU A 66 -13.497 19.568 -7.173 1.00 0.00 C ATOM 0 H LEU A 66 -11.291 16.783 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.711 15.888 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.626 17.575 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.933 17.058 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.241 19.022 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.160 20.909 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.081 19.500 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.864 19.873 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.621 20.597 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.486 19.541 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.325 18.963 -6.803 1.00 0.00 H new ATOM 773 N TYR A 67 -8.877 17.684 -6.964 1.00 0.00 N ATOM 774 CA TYR A 67 -7.610 18.377 -6.800 1.00 0.00 C ATOM 775 C TYR A 67 -7.694 19.808 -7.333 1.00 0.00 C ATOM 776 O TYR A 67 -7.225 20.744 -6.687 1.00 0.00 O ATOM 777 CB TYR A 67 -6.591 17.594 -7.631 1.00 0.00 C ATOM 778 CG TYR A 67 -5.134 17.897 -7.276 1.00 0.00 C ATOM 779 CD1 TYR A 67 -4.677 19.198 -7.289 1.00 0.00 C ATOM 780 CD2 TYR A 67 -4.278 16.868 -6.941 1.00 0.00 C ATOM 781 CE1 TYR A 67 -3.305 19.483 -6.955 1.00 0.00 C ATOM 782 CE2 TYR A 67 -2.906 17.152 -6.606 1.00 0.00 C ATOM 783 CZ TYR A 67 -2.488 18.446 -6.630 1.00 0.00 C ATOM 784 OH TYR A 67 -1.193 18.715 -6.314 1.00 0.00 O ATOM 0 H TYR A 67 -9.077 17.380 -7.917 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.336 18.432 -5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.772 16.527 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.751 17.816 -8.686 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.348 20.003 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.637 15.849 -6.930 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.934 20.497 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.225 16.356 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.133 19.607 -5.912 1.00 0.00 H new ATOM 794 N ASP A 68 -8.295 19.933 -8.508 1.00 0.00 N ATOM 795 CA ASP A 68 -8.446 21.235 -9.136 1.00 0.00 C ATOM 796 C ASP A 68 -9.920 21.646 -9.099 1.00 0.00 C ATOM 797 O ASP A 68 -10.308 22.507 -8.311 1.00 0.00 O ATOM 798 CB ASP A 68 -8.003 21.195 -10.599 1.00 0.00 C ATOM 799 CG ASP A 68 -6.930 22.218 -10.978 1.00 0.00 C ATOM 800 OD1 ASP A 68 -5.822 22.217 -10.421 1.00 0.00 O ATOM 801 OD2 ASP A 68 -7.273 23.053 -11.899 1.00 0.00 O ATOM 0 H ASP A 68 -8.683 19.155 -9.041 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.826 21.947 -8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.627 20.197 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.876 21.355 -11.232 1.00 0.00 H new ATOM 807 N GLY A 69 -10.700 21.010 -9.961 1.00 0.00 N ATOM 808 CA GLY A 69 -12.122 21.299 -10.037 1.00 0.00 C ATOM 809 C GLY A 69 -12.811 20.393 -11.060 1.00 0.00 C ATOM 810 O GLY A 69 -13.672 20.845 -11.813 1.00 0.00 O ATOM 0 H GLY A 69 -10.374 20.296 -10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.578 21.160 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.270 22.343 -10.312 1.00 0.00 H new ATOM 814 N ILE A 70 -12.406 19.132 -11.053 1.00 0.00 N ATOM 815 CA ILE A 70 -12.974 18.159 -11.971 1.00 0.00 C ATOM 816 C ILE A 70 -12.759 16.751 -11.413 1.00 0.00 C ATOM 817 O ILE A 70 -12.579 15.799 -12.171 1.00 0.00 O ATOM 818 CB ILE A 70 -12.407 18.355 -13.379 1.00 0.00 C ATOM 819 CG1 ILE A 70 -10.887 18.175 -13.388 1.00 0.00 C ATOM 820 CG2 ILE A 70 -12.827 19.709 -13.955 1.00 0.00 C ATOM 821 CD1 ILE A 70 -10.498 16.834 -14.013 1.00 0.00 C ATOM 0 H ILE A 70 -11.692 18.761 -10.427 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.050 18.306 -12.062 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.826 17.585 -14.027 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.424 18.989 -13.946 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.505 18.230 -12.369 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -12.411 19.823 -14.956 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.915 19.761 -14.006 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.455 20.508 -13.314 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.413 16.731 -14.007 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.943 16.022 -13.438 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.861 16.792 -15.040 1.00 0.00 H new ATOM 833 N ARG A 71 -12.784 16.663 -10.091 1.00 0.00 N ATOM 834 CA ARG A 71 -12.594 15.388 -9.422 1.00 0.00 C ATOM 835 C ARG A 71 -11.199 14.835 -9.720 1.00 0.00 C ATOM 836 O ARG A 71 -11.060 13.693 -10.157 1.00 0.00 O ATOM 837 CB ARG A 71 -13.645 14.369 -9.869 1.00 0.00 C ATOM 838 CG ARG A 71 -14.960 14.571 -9.113 1.00 0.00 C ATOM 839 CD ARG A 71 -15.797 13.291 -9.118 1.00 0.00 C ATOM 840 NE ARG A 71 -16.281 13.008 -10.488 1.00 0.00 N ATOM 841 CZ ARG A 71 -16.840 11.838 -10.866 1.00 0.00 C ATOM 842 NH1 ARG A 71 -16.989 10.832 -9.979 1.00 0.00 N ATOM 843 NH2 ARG A 71 -17.237 11.694 -12.117 1.00 0.00 N ATOM 0 H ARG A 71 -12.933 17.455 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.701 15.557 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.819 14.466 -10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.274 13.359 -9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.751 14.869 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.526 15.382 -9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.200 12.455 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.643 13.397 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.187 13.742 -11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.678 10.952 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.412 9.952 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.119 12.460 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.661 10.817 -12.420 1.00 0.00 H new ATOM 856 N ILE A 72 -10.200 15.670 -9.472 1.00 0.00 N ATOM 857 CA ILE A 72 -8.821 15.279 -9.708 1.00 0.00 C ATOM 858 C ILE A 72 -8.203 14.789 -8.397 1.00 0.00 C ATOM 859 O ILE A 72 -8.733 15.054 -7.320 1.00 0.00 O ATOM 860 CB ILE A 72 -8.045 16.422 -10.365 1.00 0.00 C ATOM 861 CG1 ILE A 72 -8.570 16.703 -11.775 1.00 0.00 C ATOM 862 CG2 ILE A 72 -6.542 16.139 -10.360 1.00 0.00 C ATOM 863 CD1 ILE A 72 -8.187 18.111 -12.232 1.00 0.00 C ATOM 0 H ILE A 72 -10.319 16.616 -9.110 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.776 14.448 -10.412 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.205 17.325 -9.776 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.165 15.968 -12.471 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.654 16.594 -11.792 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.014 16.967 -10.833 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.196 16.028 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.343 15.220 -10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.572 18.285 -13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.614 18.844 -11.548 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.101 18.209 -12.238 1.00 0.00 H new ATOM 875 N GLN A 73 -7.090 14.083 -8.533 1.00 0.00 N ATOM 876 CA GLN A 73 -6.393 13.554 -7.373 1.00 0.00 C ATOM 877 C GLN A 73 -4.881 13.573 -7.606 1.00 0.00 C ATOM 878 O GLN A 73 -4.425 13.837 -8.718 1.00 0.00 O ATOM 879 CB GLN A 73 -6.878 12.142 -7.039 1.00 0.00 C ATOM 880 CG GLN A 73 -8.256 12.178 -6.374 1.00 0.00 C ATOM 881 CD GLN A 73 -8.364 11.117 -5.277 1.00 0.00 C ATOM 882 OE1 GLN A 73 -7.377 10.639 -4.741 1.00 0.00 O ATOM 883 NE2 GLN A 73 -9.613 10.776 -4.975 1.00 0.00 N ATOM 0 H GLN A 73 -6.654 13.865 -9.429 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.617 14.192 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.925 11.545 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.163 11.655 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.432 13.166 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.030 12.011 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.394 11.215 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.791 10.075 -4.256 1.00 0.00 H new ATOM 892 N ALA A 74 -4.146 13.291 -6.541 1.00 0.00 N ATOM 893 CA ALA A 74 -2.695 13.272 -6.616 1.00 0.00 C ATOM 894 C ALA A 74 -2.237 11.939 -7.211 1.00 0.00 C ATOM 895 O ALA A 74 -2.052 11.826 -8.421 1.00 0.00 O ATOM 896 CB ALA A 74 -2.109 13.524 -5.226 1.00 0.00 C ATOM 0 H ALA A 74 -4.528 13.074 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.333 14.065 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.021 13.510 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.441 14.496 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.447 12.746 -4.542 1.00 0.00 H new ATOM 902 N ASP A 75 -2.065 10.963 -6.331 1.00 0.00 N ATOM 903 CA ASP A 75 -1.632 9.643 -6.753 1.00 0.00 C ATOM 904 C ASP A 75 -2.804 8.666 -6.642 1.00 0.00 C ATOM 905 O ASP A 75 -2.641 7.548 -6.155 1.00 0.00 O ATOM 906 CB ASP A 75 -0.499 9.124 -5.865 1.00 0.00 C ATOM 907 CG ASP A 75 0.424 10.205 -5.298 1.00 0.00 C ATOM 908 OD1 ASP A 75 0.283 10.621 -4.138 1.00 0.00 O ATOM 909 OD2 ASP A 75 1.331 10.629 -6.111 1.00 0.00 O ATOM 0 H ASP A 75 -2.218 11.061 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.279 9.718 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.934 8.567 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.101 8.420 -6.442 1.00 0.00 H new ATOM 915 N GLN A 76 -3.959 9.123 -7.103 1.00 0.00 N ATOM 916 CA GLN A 76 -5.158 8.303 -7.062 1.00 0.00 C ATOM 917 C GLN A 76 -4.983 7.062 -7.939 1.00 0.00 C ATOM 918 O GLN A 76 -5.816 6.158 -7.914 1.00 0.00 O ATOM 919 CB GLN A 76 -6.387 9.108 -7.489 1.00 0.00 C ATOM 920 CG GLN A 76 -7.536 8.182 -7.893 1.00 0.00 C ATOM 921 CD GLN A 76 -7.394 7.737 -9.350 1.00 0.00 C ATOM 922 OE1 GLN A 76 -6.798 8.408 -10.176 1.00 0.00 O ATOM 923 NE2 GLN A 76 -7.975 6.571 -9.618 1.00 0.00 N ATOM 0 H GLN A 76 -4.090 10.050 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.317 7.977 -6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.706 9.753 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.128 9.758 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.550 7.308 -7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.487 8.696 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.458 6.060 -8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.937 6.188 -10.562 1.00 0.00 H new ATOM 932 N THR A 77 -3.895 7.059 -8.695 1.00 0.00 N ATOM 933 CA THR A 77 -3.600 5.944 -9.578 1.00 0.00 C ATOM 934 C THR A 77 -2.525 5.046 -8.963 1.00 0.00 C ATOM 935 O THR A 77 -1.728 5.498 -8.143 1.00 0.00 O ATOM 936 CB THR A 77 -3.208 6.513 -10.943 1.00 0.00 C ATOM 937 OG1 THR A 77 -2.647 7.788 -10.640 1.00 0.00 O ATOM 938 CG2 THR A 77 -4.424 6.839 -11.813 1.00 0.00 C ATOM 0 H THR A 77 -3.207 7.812 -8.714 1.00 0.00 H new ATOM 0 HA THR A 77 -4.473 5.306 -9.714 1.00 0.00 H new ATOM 0 HB THR A 77 -2.570 5.799 -11.464 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.511 8.291 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 77 -4.090 7.239 -12.770 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.004 5.932 -11.982 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.045 7.578 -11.307 1.00 0.00 H new ATOM 946 N PRO A 78 -2.538 3.756 -9.395 1.00 0.00 N ATOM 947 CA PRO A 78 -1.574 2.790 -8.896 1.00 0.00 C ATOM 948 C PRO A 78 -0.195 3.020 -9.517 1.00 0.00 C ATOM 949 O PRO A 78 0.820 2.618 -8.951 1.00 0.00 O ATOM 950 CB PRO A 78 -2.163 1.432 -9.242 1.00 0.00 C ATOM 951 CG PRO A 78 -3.197 1.690 -10.326 1.00 0.00 C ATOM 952 CD PRO A 78 -3.467 3.185 -10.366 1.00 0.00 C ATOM 0 HA PRO A 78 -1.410 2.876 -7.822 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.390 0.749 -9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.621 0.971 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.832 1.342 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.115 1.142 -10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.297 3.591 -11.363 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.501 3.408 -10.103 1.00 0.00 H new ATOM 960 N GLU A 79 -0.203 3.668 -10.673 1.00 0.00 N ATOM 961 CA GLU A 79 1.035 3.956 -11.377 1.00 0.00 C ATOM 962 C GLU A 79 1.611 5.295 -10.911 1.00 0.00 C ATOM 963 O GLU A 79 2.733 5.649 -11.268 1.00 0.00 O ATOM 964 CB GLU A 79 0.818 3.950 -12.892 1.00 0.00 C ATOM 965 CG GLU A 79 2.154 3.910 -13.636 1.00 0.00 C ATOM 966 CD GLU A 79 2.176 4.927 -14.779 1.00 0.00 C ATOM 967 OE1 GLU A 79 2.086 4.541 -15.954 1.00 0.00 O ATOM 968 OE2 GLU A 79 2.290 6.158 -14.411 1.00 0.00 O ATOM 0 H GLU A 79 -1.047 4.001 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 79 1.755 3.172 -11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.215 3.087 -13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.260 4.839 -13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.967 4.120 -12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.324 2.909 -14.032 1.00 0.00 H new ATOM 976 N ASP A 80 0.816 6.002 -10.121 1.00 0.00 N ATOM 977 CA ASP A 80 1.233 7.294 -9.603 1.00 0.00 C ATOM 978 C ASP A 80 1.717 7.128 -8.161 1.00 0.00 C ATOM 979 O ASP A 80 2.715 7.727 -7.764 1.00 0.00 O ATOM 980 CB ASP A 80 0.070 8.287 -9.600 1.00 0.00 C ATOM 981 CG ASP A 80 0.472 9.754 -9.432 1.00 0.00 C ATOM 982 OD1 ASP A 80 1.187 10.116 -8.486 1.00 0.00 O ATOM 983 OD2 ASP A 80 0.014 10.552 -10.337 1.00 0.00 O ATOM 0 H ASP A 80 -0.114 5.705 -9.827 1.00 0.00 H new ATOM 0 HA ASP A 80 2.029 7.673 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.480 8.182 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.615 8.019 -8.795 1.00 0.00 H new ATOM 989 N LEU A 81 0.986 6.311 -7.415 1.00 0.00 N ATOM 990 CA LEU A 81 1.328 6.059 -6.026 1.00 0.00 C ATOM 991 C LEU A 81 2.555 5.148 -5.965 1.00 0.00 C ATOM 992 O LEU A 81 3.433 5.338 -5.124 1.00 0.00 O ATOM 993 CB LEU A 81 0.117 5.512 -5.267 1.00 0.00 C ATOM 994 CG LEU A 81 -0.430 4.170 -5.756 1.00 0.00 C ATOM 995 CD1 LEU A 81 0.247 3.005 -5.031 1.00 0.00 C ATOM 996 CD2 LEU A 81 -1.954 4.118 -5.624 1.00 0.00 C ATOM 0 H LEU A 81 0.159 5.816 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 81 1.596 6.989 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.387 5.410 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.684 6.250 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.194 4.071 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.160 2.063 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.320 3.034 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.064 3.087 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.317 3.153 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.233 4.249 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.398 4.915 -6.221 1.00 0.00 H new ATOM 1008 N ASP A 82 2.577 4.177 -6.867 1.00 0.00 N ATOM 1009 CA ASP A 82 3.683 3.236 -6.926 1.00 0.00 C ATOM 1010 C ASP A 82 4.905 3.928 -7.532 1.00 0.00 C ATOM 1011 O ASP A 82 6.029 3.451 -7.385 1.00 0.00 O ATOM 1012 CB ASP A 82 3.335 2.033 -7.806 1.00 0.00 C ATOM 1013 CG ASP A 82 4.252 0.820 -7.635 1.00 0.00 C ATOM 1014 OD1 ASP A 82 5.220 0.640 -8.389 1.00 0.00 O ATOM 1015 OD2 ASP A 82 3.935 0.030 -6.666 1.00 0.00 O ATOM 0 H ASP A 82 1.847 4.022 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 82 3.889 2.894 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.311 1.729 -7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.362 2.346 -8.850 1.00 0.00 H new ATOM 1021 N MET A 83 4.643 5.041 -8.201 1.00 0.00 N ATOM 1022 CA MET A 83 5.708 5.804 -8.830 1.00 0.00 C ATOM 1023 C MET A 83 6.093 7.015 -7.978 1.00 0.00 C ATOM 1024 O MET A 83 7.174 7.048 -7.391 1.00 0.00 O ATOM 1025 CB MET A 83 5.250 6.277 -10.212 1.00 0.00 C ATOM 1026 CG MET A 83 6.308 7.168 -10.865 1.00 0.00 C ATOM 1027 SD MET A 83 5.563 8.159 -12.149 1.00 0.00 S ATOM 1028 CE MET A 83 4.271 8.960 -11.213 1.00 0.00 C ATOM 0 H MET A 83 3.709 5.433 -8.321 1.00 0.00 H new ATOM 0 HA MET A 83 6.582 5.160 -8.927 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.053 5.414 -10.849 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.313 6.826 -10.120 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.765 7.814 -10.115 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.104 6.553 -11.284 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.311 8.792 -11.700 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.243 8.548 -10.204 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.469 10.031 -11.162 1.00 0.00 H new ATOM 1038 N GLU A 84 5.187 7.981 -7.936 1.00 0.00 N ATOM 1039 CA GLU A 84 5.418 9.191 -7.165 1.00 0.00 C ATOM 1040 C GLU A 84 5.247 8.909 -5.671 1.00 0.00 C ATOM 1041 O GLU A 84 4.700 7.875 -5.289 1.00 0.00 O ATOM 1042 CB GLU A 84 4.487 10.317 -7.620 1.00 0.00 C ATOM 1043 CG GLU A 84 5.166 11.680 -7.478 1.00 0.00 C ATOM 1044 CD GLU A 84 6.506 11.705 -8.217 1.00 0.00 C ATOM 1045 OE1 GLU A 84 6.627 11.117 -9.302 1.00 0.00 O ATOM 1046 OE2 GLU A 84 7.443 12.365 -7.625 1.00 0.00 O ATOM 0 H GLU A 84 4.292 7.950 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 84 6.443 9.519 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.198 10.157 -8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.572 10.299 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.514 12.458 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.324 11.903 -6.423 1.00 0.00 H new ATOM 1054 N ASP A 85 5.726 9.846 -4.866 1.00 0.00 N ATOM 1055 CA ASP A 85 5.634 9.711 -3.422 1.00 0.00 C ATOM 1056 C ASP A 85 5.243 11.059 -2.813 1.00 0.00 C ATOM 1057 O ASP A 85 6.105 11.815 -2.366 1.00 0.00 O ATOM 1058 CB ASP A 85 6.977 9.291 -2.821 1.00 0.00 C ATOM 1059 CG ASP A 85 8.203 9.662 -3.658 1.00 0.00 C ATOM 1060 OD1 ASP A 85 8.420 9.116 -4.750 1.00 0.00 O ATOM 1061 OD2 ASP A 85 8.965 10.564 -3.138 1.00 0.00 O ATOM 0 H ASP A 85 6.179 10.702 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 85 4.887 8.949 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.076 9.747 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.970 8.211 -2.673 1.00 0.00 H new ATOM 1067 N ASN A 86 3.944 11.319 -2.814 1.00 0.00 N ATOM 1068 CA ASN A 86 3.429 12.562 -2.266 1.00 0.00 C ATOM 1069 C ASN A 86 1.900 12.544 -2.320 1.00 0.00 C ATOM 1070 O ASN A 86 1.306 12.929 -3.326 1.00 0.00 O ATOM 1071 CB ASN A 86 3.916 13.765 -3.077 1.00 0.00 C ATOM 1072 CG ASN A 86 3.676 13.551 -4.573 1.00 0.00 C ATOM 1073 OD1 ASN A 86 3.263 12.492 -5.017 1.00 0.00 O ATOM 1074 ND2 ASN A 86 3.958 14.613 -5.323 1.00 0.00 N ATOM 0 H ASN A 86 3.233 10.690 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 86 3.785 12.651 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.397 14.665 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.979 13.925 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.832 14.571 -6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.300 15.469 -4.887 1.00 0.00 H new ATOM 1081 N ASP A 87 1.307 12.091 -1.226 1.00 0.00 N ATOM 1082 CA ASP A 87 -0.142 12.017 -1.136 1.00 0.00 C ATOM 1083 C ASP A 87 -0.692 13.382 -0.715 1.00 0.00 C ATOM 1084 O ASP A 87 -0.388 13.870 0.372 1.00 0.00 O ATOM 1085 CB ASP A 87 -0.577 10.989 -0.090 1.00 0.00 C ATOM 1086 CG ASP A 87 -0.192 9.543 -0.406 1.00 0.00 C ATOM 1087 OD1 ASP A 87 0.349 9.246 -1.482 1.00 0.00 O ATOM 1088 OD2 ASP A 87 -0.472 8.689 0.520 1.00 0.00 O ATOM 0 H ASP A 87 1.803 11.771 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.526 11.722 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.141 11.264 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.660 11.044 0.024 1.00 0.00 H new ATOM 1094 N ILE A 88 -1.494 13.958 -1.598 1.00 0.00 N ATOM 1095 CA ILE A 88 -2.090 15.256 -1.332 1.00 0.00 C ATOM 1096 C ILE A 88 -3.282 15.467 -2.268 1.00 0.00 C ATOM 1097 O ILE A 88 -3.170 15.268 -3.477 1.00 0.00 O ATOM 1098 CB ILE A 88 -1.034 16.360 -1.424 1.00 0.00 C ATOM 1099 CG1 ILE A 88 -1.448 17.433 -2.433 1.00 0.00 C ATOM 1100 CG2 ILE A 88 0.343 15.775 -1.741 1.00 0.00 C ATOM 1101 CD1 ILE A 88 -1.242 16.944 -3.868 1.00 0.00 C ATOM 0 H ILE A 88 -1.745 13.550 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.473 15.297 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.961 16.846 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.495 17.696 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.865 18.339 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.075 16.580 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.633 15.079 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.304 15.248 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.544 17.725 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.190 16.705 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.845 16.052 -4.039 1.00 0.00 H new ATOM 1113 N ILE A 89 -4.397 15.866 -1.673 1.00 0.00 N ATOM 1114 CA ILE A 89 -5.609 16.105 -2.439 1.00 0.00 C ATOM 1115 C ILE A 89 -6.456 17.163 -1.727 1.00 0.00 C ATOM 1116 O ILE A 89 -6.155 17.547 -0.598 1.00 0.00 O ATOM 1117 CB ILE A 89 -6.351 14.792 -2.692 1.00 0.00 C ATOM 1118 CG1 ILE A 89 -5.376 13.615 -2.758 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -7.221 14.886 -3.947 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -6.126 12.285 -2.859 1.00 0.00 C ATOM 0 H ILE A 89 -4.487 16.030 -0.670 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.365 16.501 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.019 14.610 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.718 13.731 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.743 13.613 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.737 13.939 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.954 15.683 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.592 15.103 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.409 11.465 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.765 12.160 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.739 12.281 -3.760 1.00 0.00 H new ATOM 1132 N GLU A 90 -7.498 17.603 -2.417 1.00 0.00 N ATOM 1133 CA GLU A 90 -8.390 18.608 -1.865 1.00 0.00 C ATOM 1134 C GLU A 90 -9.800 18.036 -1.707 1.00 0.00 C ATOM 1135 O GLU A 90 -10.315 17.384 -2.614 1.00 0.00 O ATOM 1136 CB GLU A 90 -8.403 19.866 -2.735 1.00 0.00 C ATOM 1137 CG GLU A 90 -9.454 20.863 -2.242 1.00 0.00 C ATOM 1138 CD GLU A 90 -10.361 21.316 -3.388 1.00 0.00 C ATOM 1139 OE1 GLU A 90 -9.994 22.226 -4.147 1.00 0.00 O ATOM 1140 OE2 GLU A 90 -11.483 20.686 -3.477 1.00 0.00 O ATOM 0 H GLU A 90 -7.744 17.282 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.021 18.892 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.418 20.333 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.611 19.595 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.055 20.404 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.960 21.729 -1.800 1.00 0.00 H new ATOM 1148 N ALA A 91 -10.385 18.302 -0.548 1.00 0.00 N ATOM 1149 CA ALA A 91 -11.726 17.822 -0.259 1.00 0.00 C ATOM 1150 C ALA A 91 -12.663 19.018 -0.078 1.00 0.00 C ATOM 1151 O ALA A 91 -12.729 19.601 1.004 1.00 0.00 O ATOM 1152 CB ALA A 91 -11.690 16.917 0.974 1.00 0.00 C ATOM 0 H ALA A 91 -9.955 18.844 0.202 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.108 17.227 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -12.696 16.557 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.034 16.068 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.315 17.481 1.828 1.00 0.00 H new ATOM 1158 N HIS A 92 -13.364 19.348 -1.152 1.00 0.00 N ATOM 1159 CA HIS A 92 -14.294 20.464 -1.125 1.00 0.00 C ATOM 1160 C HIS A 92 -15.603 20.026 -0.464 1.00 0.00 C ATOM 1161 O HIS A 92 -15.752 18.865 -0.085 1.00 0.00 O ATOM 1162 CB HIS A 92 -14.501 21.033 -2.530 1.00 0.00 C ATOM 1163 CG HIS A 92 -14.140 22.494 -2.660 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -13.035 23.051 -2.041 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -14.748 23.504 -3.345 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -12.990 24.339 -2.345 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -14.052 24.619 -3.154 1.00 0.00 N ATOM 0 H HIS A 92 -13.307 18.862 -2.047 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.878 21.274 -0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -13.903 20.457 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -15.545 20.900 -2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -15.644 23.413 -3.942 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.243 25.044 -2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.275 25.533 -3.547 1.00 0.00 H new ATOM 1175 N ARG A 93 -16.517 20.977 -0.346 1.00 0.00 N ATOM 1176 CA ARG A 93 -17.808 20.704 0.262 1.00 0.00 C ATOM 1177 C ARG A 93 -18.876 20.522 -0.818 1.00 0.00 C ATOM 1178 O ARG A 93 -18.807 21.146 -1.876 1.00 0.00 O ATOM 1179 CB ARG A 93 -18.227 21.839 1.198 1.00 0.00 C ATOM 1180 CG ARG A 93 -17.538 21.713 2.558 1.00 0.00 C ATOM 1181 CD ARG A 93 -16.027 21.918 2.428 1.00 0.00 C ATOM 1182 NE ARG A 93 -15.568 22.932 3.403 1.00 0.00 N ATOM 1183 CZ ARG A 93 -15.759 22.841 4.736 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -16.402 21.779 5.265 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -15.307 23.806 5.514 1.00 0.00 N ATOM 0 H ARG A 93 -16.389 21.939 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.713 19.786 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -17.975 22.799 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -19.309 21.824 1.332 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -17.950 22.449 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -17.740 20.730 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.508 20.975 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.781 22.238 1.415 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.076 23.751 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -16.748 21.037 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.542 21.718 6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.822 24.605 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.443 23.753 6.524 1.00 0.00 H new ATOM 1198 N GLU A 94 -19.838 19.663 -0.515 1.00 0.00 N ATOM 1199 CA GLU A 94 -20.919 19.391 -1.447 1.00 0.00 C ATOM 1200 C GLU A 94 -22.107 18.764 -0.713 1.00 0.00 C ATOM 1201 O GLU A 94 -22.299 17.550 -0.759 1.00 0.00 O ATOM 1202 CB GLU A 94 -20.444 18.491 -2.589 1.00 0.00 C ATOM 1203 CG GLU A 94 -20.748 19.125 -3.948 1.00 0.00 C ATOM 1204 CD GLU A 94 -21.032 18.052 -5.002 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -20.100 17.384 -5.473 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -22.274 17.924 -5.329 1.00 0.00 O ATOM 0 H GLU A 94 -19.891 19.146 0.363 1.00 0.00 H new ATOM 0 HA GLU A 94 -21.243 20.336 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.372 18.315 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.933 17.520 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.608 19.789 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.904 19.737 -4.265 1.00 0.00 H new ATOM 1214 N GLN A 95 -22.873 19.621 -0.054 1.00 0.00 N ATOM 1215 CA GLN A 95 -24.037 19.167 0.688 1.00 0.00 C ATOM 1216 C GLN A 95 -24.997 20.332 0.935 1.00 0.00 C ATOM 1217 O GLN A 95 -24.631 21.320 1.570 1.00 0.00 O ATOM 1218 CB GLN A 95 -23.624 18.509 2.006 1.00 0.00 C ATOM 1219 CG GLN A 95 -24.835 17.903 2.719 1.00 0.00 C ATOM 1220 CD GLN A 95 -25.292 18.793 3.876 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -26.236 19.557 3.770 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -24.571 18.651 4.985 1.00 0.00 N ATOM 0 H GLN A 95 -22.710 20.627 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.554 18.416 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -22.885 17.732 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -23.149 19.247 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.652 17.775 2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -24.581 16.912 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -23.792 17.992 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -24.797 19.201 5.814 1.00 0.00 H new ATOM 1231 N ILE A 96 -26.208 20.179 0.419 1.00 0.00 N ATOM 1232 CA ILE A 96 -27.224 21.206 0.575 1.00 0.00 C ATOM 1233 C ILE A 96 -28.241 20.756 1.626 1.00 0.00 C ATOM 1234 O ILE A 96 -28.992 19.808 1.402 1.00 0.00 O ATOM 1235 CB ILE A 96 -27.849 21.551 -0.778 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -26.808 22.149 -1.727 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -29.060 22.469 -0.604 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -26.196 21.068 -2.620 1.00 0.00 C ATOM 0 H ILE A 96 -26.508 19.359 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 96 -26.778 22.131 0.939 1.00 0.00 H new ATOM 0 HB ILE A 96 -28.207 20.628 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -27.273 22.917 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -26.022 22.637 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -29.486 22.699 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -29.810 21.970 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -28.749 23.393 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -25.460 21.519 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -25.711 20.315 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -26.981 20.599 -3.213 1.00 0.00 H new TER 1250 ILE A 96