USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 46 MET CE :methyl -136:sc= -0.108 (180deg=-0.586) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -124:sc= -0.708 (180deg=-2.78!) USER MOD Set 1.3: A 73 TYR OH : rot 130:sc= -0.0337 USER MOD Single : A 27 SER OG : rot -174:sc= 0.675 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.021) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.159 K(o=-0.16,f=-3.8!) USER MOD Single : A 48 ASN : amide:sc= -4.65! C(o=-4.6!,f=-3.7!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 52 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.16) USER MOD Single : A 56 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -130:sc= -1.18 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.016) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.478 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -56:sc= -3.14! USER MOD Single : A 80 ASN : amide:sc= 0.0732 K(o=0.073,f=-0.64) USER MOD Single : A 83 CYS SG : rot -11:sc= -1.79! USER MOD Single : A 88 THR OG1 : rot 58:sc= -1.63 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1 K(o=-1,f=-2.2!) USER MOD Single : A 94 ASN : amide:sc= -1.01 K(o=-1,f=-2.3!) USER MOD Single : A 95 MET CE :methyl 155:sc= -0.275 (180deg=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.65) USER MOD Single : A 107 ASN : amide:sc= -1.22 K(o=-1.2,f=-1.9!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -7.134 -14.608 -8.048 1.00 0.00 N ATOM 16 CA SER A 27 -7.980 -13.420 -8.090 1.00 0.00 C ATOM 17 C SER A 27 -7.202 -12.187 -7.644 1.00 0.00 C ATOM 18 O SER A 27 -5.974 -12.212 -7.557 1.00 0.00 O ATOM 19 CB SER A 27 -9.210 -13.614 -7.204 1.00 0.00 C ATOM 20 OG SER A 27 -9.549 -14.985 -7.092 1.00 0.00 O ATOM 0 HA SER A 27 -8.306 -13.269 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.017 -13.202 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.052 -13.061 -7.620 1.00 0.00 H new ATOM 0 HG SER A 27 -10.396 -15.074 -6.606 1.00 0.00 H new ATOM 25 N LYS A 28 -7.922 -11.106 -7.361 1.00 0.00 N ATOM 26 CA LYS A 28 -7.292 -9.867 -6.923 1.00 0.00 C ATOM 27 C LYS A 28 -8.335 -8.815 -6.565 1.00 0.00 C ATOM 28 O LYS A 28 -9.512 -8.948 -6.904 1.00 0.00 O ATOM 29 CB LYS A 28 -6.365 -9.330 -8.015 1.00 0.00 C ATOM 30 CG LYS A 28 -7.017 -9.259 -9.386 1.00 0.00 C ATOM 31 CD LYS A 28 -6.019 -9.547 -10.494 1.00 0.00 C ATOM 32 CE LYS A 28 -6.716 -9.978 -11.774 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.902 -10.955 -12.547 1.00 0.00 N ATOM 0 H LYS A 28 -8.939 -11.063 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.707 -10.086 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.023 -8.334 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.481 -9.965 -8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.836 -9.976 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.450 -8.269 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.421 -8.656 -10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.332 -10.329 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.681 -10.422 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.915 -9.102 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.412 -11.224 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.991 -10.523 -12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.733 -11.802 -11.967 1.00 0.00 H new ATOM 47 N GLN A 29 -7.891 -7.768 -5.881 1.00 0.00 N ATOM 48 CA GLN A 29 -8.777 -6.683 -5.475 1.00 0.00 C ATOM 49 C GLN A 29 -8.012 -5.371 -5.408 1.00 0.00 C ATOM 50 O GLN A 29 -6.840 -5.342 -5.032 1.00 0.00 O ATOM 51 CB GLN A 29 -9.423 -6.988 -4.121 1.00 0.00 C ATOM 52 CG GLN A 29 -10.767 -7.690 -4.236 1.00 0.00 C ATOM 53 CD GLN A 29 -11.124 -8.475 -2.988 1.00 0.00 C ATOM 54 OE1 GLN A 29 -12.175 -8.260 -2.385 1.00 0.00 O ATOM 55 NE2 GLN A 29 -10.247 -9.391 -2.595 1.00 0.00 N ATOM 0 H GLN A 29 -6.920 -7.647 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.567 -6.591 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.746 -7.610 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.554 -6.056 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.544 -6.950 -4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.748 -8.364 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.388 -9.536 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.432 -9.950 -1.762 1.00 0.00 H new ATOM 64 N GLU A 30 -8.673 -4.288 -5.793 1.00 0.00 N ATOM 65 CA GLU A 30 -8.044 -2.978 -5.794 1.00 0.00 C ATOM 66 C GLU A 30 -8.789 -1.994 -4.893 1.00 0.00 C ATOM 67 O GLU A 30 -10.019 -1.944 -4.890 1.00 0.00 O ATOM 68 CB GLU A 30 -7.964 -2.448 -7.225 1.00 0.00 C ATOM 69 CG GLU A 30 -9.303 -2.011 -7.801 1.00 0.00 C ATOM 70 CD GLU A 30 -9.323 -0.543 -8.185 1.00 0.00 C ATOM 71 OE1 GLU A 30 -8.280 -0.038 -8.655 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.379 0.101 -8.017 1.00 0.00 O ATOM 0 H GLU A 30 -9.643 -4.292 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.036 -3.082 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.276 -1.603 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.541 -3.222 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.531 -2.615 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.088 -2.202 -7.070 1.00 0.00 H new ATOM 79 N LEU A 31 -8.028 -1.215 -4.129 1.00 0.00 N ATOM 80 CA LEU A 31 -8.604 -0.231 -3.220 1.00 0.00 C ATOM 81 C LEU A 31 -8.417 1.183 -3.763 1.00 0.00 C ATOM 82 O LEU A 31 -7.439 1.467 -4.456 1.00 0.00 O ATOM 83 CB LEU A 31 -7.962 -0.346 -1.836 1.00 0.00 C ATOM 84 CG LEU A 31 -8.298 -1.629 -1.072 1.00 0.00 C ATOM 85 CD1 LEU A 31 -7.126 -2.599 -1.113 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.677 -1.312 0.368 1.00 0.00 C ATOM 0 H LEU A 31 -7.009 -1.247 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.672 -0.432 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.880 -0.280 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.273 0.509 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.153 -2.101 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.384 -3.505 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.901 -2.854 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.253 -2.134 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.912 -2.237 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.843 -0.815 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.548 -0.657 0.379 1.00 0.00 H new ATOM 98 N ILE A 32 -9.359 2.065 -3.447 1.00 0.00 N ATOM 99 CA ILE A 32 -9.293 3.449 -3.905 1.00 0.00 C ATOM 100 C ILE A 32 -8.915 4.389 -2.765 1.00 0.00 C ATOM 101 O ILE A 32 -9.595 4.443 -1.740 1.00 0.00 O ATOM 102 CB ILE A 32 -10.631 3.914 -4.514 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.812 3.444 -3.653 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.764 3.415 -5.948 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.284 2.035 -3.962 1.00 0.00 C ATOM 0 H ILE A 32 -10.176 1.847 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.523 3.484 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.644 5.004 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.525 3.497 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.645 4.133 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.714 3.752 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.945 3.810 -6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.729 2.326 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.120 1.780 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.604 1.978 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.467 1.333 -3.795 1.00 0.00 H new ATOM 117 N LEU A 33 -7.825 5.128 -2.950 1.00 0.00 N ATOM 118 CA LEU A 33 -7.357 6.066 -1.937 1.00 0.00 C ATOM 119 C LEU A 33 -7.220 7.471 -2.516 1.00 0.00 C ATOM 120 O LEU A 33 -6.941 7.641 -3.703 1.00 0.00 O ATOM 121 CB LEU A 33 -6.014 5.607 -1.363 1.00 0.00 C ATOM 122 CG LEU A 33 -5.920 4.113 -1.050 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.468 3.338 -2.278 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.970 3.873 0.114 1.00 0.00 C ATOM 0 H LEU A 33 -7.250 5.095 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.096 6.092 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.227 5.864 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.816 6.167 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.910 3.757 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.407 2.277 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.185 3.486 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.488 3.695 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.914 2.805 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.978 4.244 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.336 4.398 0.997 1.00 0.00 H new ATOM 136 N VAL A 34 -7.415 8.474 -1.665 1.00 0.00 N ATOM 137 CA VAL A 34 -7.312 9.867 -2.080 1.00 0.00 C ATOM 138 C VAL A 34 -6.993 10.764 -0.895 1.00 0.00 C ATOM 139 O VAL A 34 -7.728 10.802 0.091 1.00 0.00 O ATOM 140 CB VAL A 34 -8.611 10.359 -2.749 1.00 0.00 C ATOM 141 CG1 VAL A 34 -8.443 11.782 -3.260 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.020 9.425 -3.878 1.00 0.00 C ATOM 0 H VAL A 34 -7.646 8.346 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.501 9.921 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.405 10.356 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.370 12.112 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.203 12.442 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.635 11.813 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.939 9.790 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.229 9.391 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.186 8.424 -3.480 1.00 0.00 H new ATOM 152 N LEU A 35 -5.888 11.476 -1.002 1.00 0.00 N ATOM 153 CA LEU A 35 -5.450 12.380 0.053 1.00 0.00 C ATOM 154 C LEU A 35 -6.202 13.703 -0.015 1.00 0.00 C ATOM 155 O LEU A 35 -6.913 14.075 0.920 1.00 0.00 O ATOM 156 CB LEU A 35 -3.943 12.619 -0.068 1.00 0.00 C ATOM 157 CG LEU A 35 -3.159 12.470 1.234 1.00 0.00 C ATOM 158 CD1 LEU A 35 -1.798 11.843 0.973 1.00 0.00 C ATOM 159 CD2 LEU A 35 -2.996 13.823 1.907 1.00 0.00 C ATOM 0 H LEU A 35 -5.271 11.448 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.666 11.920 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.537 11.921 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.780 13.623 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.718 11.812 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.256 11.746 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.931 10.857 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.231 12.476 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.435 13.703 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.457 14.498 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.978 14.240 2.128 1.00 0.00 H new ATOM 171 N LYS A 36 -6.034 14.420 -1.123 1.00 0.00 N ATOM 172 CA LYS A 36 -6.697 15.705 -1.310 1.00 0.00 C ATOM 173 C LYS A 36 -6.994 15.952 -2.787 1.00 0.00 C ATOM 174 O LYS A 36 -8.142 15.909 -3.213 1.00 0.00 O ATOM 175 CB LYS A 36 -5.832 16.831 -0.751 1.00 0.00 C ATOM 176 CG LYS A 36 -6.071 17.107 0.727 1.00 0.00 C ATOM 177 CD LYS A 36 -4.787 17.007 1.531 1.00 0.00 C ATOM 178 CE LYS A 36 -5.048 17.170 3.020 1.00 0.00 C ATOM 179 NZ LYS A 36 -3.827 16.899 3.830 1.00 0.00 N ATOM 0 H LYS A 36 -5.444 14.132 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.643 15.684 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.782 16.579 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.025 17.742 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.499 18.102 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.801 16.397 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.315 16.042 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.087 17.773 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.398 18.183 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.845 16.492 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.046 17.021 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.507 15.924 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.075 17.563 3.557 1.00 0.00 H new ATOM 193 N GLY A 37 -5.943 16.220 -3.556 1.00 0.00 N ATOM 194 CA GLY A 37 -6.108 16.470 -4.969 1.00 0.00 C ATOM 195 C GLY A 37 -4.792 16.456 -5.720 1.00 0.00 C ATOM 196 O GLY A 37 -4.276 15.391 -6.061 1.00 0.00 O ATOM 0 H GLY A 37 -4.981 16.268 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.772 15.716 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.592 17.436 -5.109 1.00 0.00 H new ATOM 200 N GLU A 38 -4.246 17.644 -5.977 1.00 0.00 N ATOM 201 CA GLU A 38 -2.978 17.761 -6.688 1.00 0.00 C ATOM 202 C GLU A 38 -1.912 18.392 -5.800 1.00 0.00 C ATOM 203 O GLU A 38 -2.206 19.265 -4.986 1.00 0.00 O ATOM 204 CB GLU A 38 -3.160 18.601 -7.957 1.00 0.00 C ATOM 205 CG GLU A 38 -3.569 20.035 -7.679 1.00 0.00 C ATOM 206 CD GLU A 38 -3.938 20.787 -8.939 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.066 20.948 -9.817 1.00 0.00 O ATOM 208 OE2 GLU A 38 -5.108 21.212 -9.053 1.00 0.00 O ATOM 0 H GLU A 38 -4.662 18.535 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.650 16.759 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.227 18.600 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.915 18.132 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.417 20.041 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.751 20.552 -7.178 1.00 0.00 H new ATOM 215 N LEU A 39 -0.670 17.937 -5.954 1.00 0.00 N ATOM 216 CA LEU A 39 0.440 18.457 -5.170 1.00 0.00 C ATOM 217 C LEU A 39 0.192 18.238 -3.681 1.00 0.00 C ATOM 218 O LEU A 39 -0.328 19.115 -2.993 1.00 0.00 O ATOM 219 CB LEU A 39 0.649 19.941 -5.450 1.00 0.00 C ATOM 220 CG LEU A 39 2.105 20.388 -5.528 1.00 0.00 C ATOM 221 CD1 LEU A 39 2.280 21.499 -6.556 1.00 0.00 C ATOM 222 CD2 LEU A 39 2.586 20.858 -4.161 1.00 0.00 C ATOM 0 H LEU A 39 -0.410 17.207 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 39 1.341 17.917 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.158 20.189 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.151 20.515 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 39 2.706 19.534 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.327 21.800 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.972 21.138 -7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.666 22.355 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.627 21.174 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.974 21.696 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.502 20.040 -3.445 1.00 0.00 H new ATOM 283 N SER A 43 5.046 11.274 -1.643 1.00 0.00 N ATOM 284 CA SER A 43 6.139 10.450 -1.143 1.00 0.00 C ATOM 285 C SER A 43 5.662 9.529 -0.027 1.00 0.00 C ATOM 286 O SER A 43 5.969 8.336 -0.016 1.00 0.00 O ATOM 287 CB SER A 43 7.283 11.340 -0.633 1.00 0.00 C ATOM 288 OG SER A 43 8.163 11.685 -1.687 1.00 0.00 O ATOM 0 HA SER A 43 6.502 9.834 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.873 12.245 -0.185 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.834 10.818 0.150 1.00 0.00 H new ATOM 0 HG SER A 43 8.882 12.253 -1.340 1.00 0.00 H new ATOM 294 N LYS A 44 4.907 10.090 0.913 1.00 0.00 N ATOM 295 CA LYS A 44 4.381 9.313 2.032 1.00 0.00 C ATOM 296 C LYS A 44 3.388 8.262 1.553 1.00 0.00 C ATOM 297 O LYS A 44 3.226 7.213 2.180 1.00 0.00 O ATOM 298 CB LYS A 44 3.711 10.242 3.049 1.00 0.00 C ATOM 299 CG LYS A 44 3.902 9.804 4.491 1.00 0.00 C ATOM 300 CD LYS A 44 3.763 10.975 5.453 1.00 0.00 C ATOM 301 CE LYS A 44 3.079 10.551 6.744 1.00 0.00 C ATOM 302 NZ LYS A 44 2.358 11.689 7.384 1.00 0.00 N ATOM 0 H LYS A 44 4.646 11.076 0.923 1.00 0.00 H new ATOM 0 HA LYS A 44 5.216 8.799 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.111 11.249 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.644 10.295 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.167 9.038 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.887 9.351 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.749 11.383 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.189 11.771 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.375 9.745 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.822 10.155 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.904 11.363 8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.034 12.448 7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.633 12.051 6.732 1.00 0.00 H new ATOM 316 N ASN A 45 2.724 8.547 0.438 1.00 0.00 N ATOM 317 CA ASN A 45 1.745 7.624 -0.125 1.00 0.00 C ATOM 318 C ASN A 45 2.376 6.263 -0.401 1.00 0.00 C ATOM 319 O ASN A 45 1.945 5.246 0.144 1.00 0.00 O ATOM 320 CB ASN A 45 1.154 8.198 -1.413 1.00 0.00 C ATOM 321 CG ASN A 45 0.344 9.452 -1.168 1.00 0.00 C ATOM 322 OD1 ASN A 45 0.761 10.335 -0.410 1.00 0.00 O ATOM 323 ND2 ASN A 45 -0.812 9.553 -1.805 1.00 0.00 N ATOM 0 H ASN A 45 2.846 9.409 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 45 0.946 7.491 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.960 8.421 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.521 7.447 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.393 10.382 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.121 8.802 -2.422 1.00 0.00 H new ATOM 330 N MET A 46 3.394 6.242 -1.251 1.00 0.00 N ATOM 331 CA MET A 46 4.085 5.009 -1.592 1.00 0.00 C ATOM 332 C MET A 46 4.640 4.335 -0.342 1.00 0.00 C ATOM 333 O MET A 46 4.623 3.115 -0.216 1.00 0.00 O ATOM 334 CB MET A 46 5.209 5.274 -2.593 1.00 0.00 C ATOM 335 CG MET A 46 6.293 6.195 -2.054 1.00 0.00 C ATOM 336 SD MET A 46 7.729 6.288 -3.142 1.00 0.00 S ATOM 337 CE MET A 46 8.400 4.639 -2.961 1.00 0.00 C ATOM 0 H MET A 46 3.760 7.071 -1.719 1.00 0.00 H new ATOM 0 HA MET A 46 3.362 4.338 -2.055 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.660 4.324 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.785 5.713 -3.496 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.880 7.195 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.608 5.843 -1.072 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.482 4.697 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.966 4.164 -2.081 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.161 4.050 -3.846 1.00 0.00 H new ATOM 347 N LYS A 47 5.131 5.154 0.586 1.00 0.00 N ATOM 348 CA LYS A 47 5.683 4.643 1.833 1.00 0.00 C ATOM 349 C LYS A 47 4.585 4.041 2.701 1.00 0.00 C ATOM 350 O LYS A 47 4.836 3.145 3.508 1.00 0.00 O ATOM 351 CB LYS A 47 6.396 5.761 2.593 1.00 0.00 C ATOM 352 CG LYS A 47 7.485 5.267 3.533 1.00 0.00 C ATOM 353 CD LYS A 47 8.856 5.334 2.882 1.00 0.00 C ATOM 354 CE LYS A 47 9.071 4.190 1.908 1.00 0.00 C ATOM 355 NZ LYS A 47 8.563 4.518 0.548 1.00 0.00 N ATOM 0 H LYS A 47 5.157 6.170 0.496 1.00 0.00 H new ATOM 0 HA LYS A 47 6.403 3.861 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.836 6.453 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.660 6.323 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.483 5.869 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.272 4.240 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.964 6.284 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.627 5.306 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.134 3.955 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.567 3.298 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.876 3.796 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.101 5.449 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.357 4.538 -0.124 1.00 0.00 H new ATOM 369 N ASN A 48 3.361 4.533 2.525 1.00 0.00 N ATOM 370 CA ASN A 48 2.226 4.049 3.291 1.00 0.00 C ATOM 371 C ASN A 48 1.886 2.617 2.886 1.00 0.00 C ATOM 372 O ASN A 48 1.624 1.767 3.737 1.00 0.00 O ATOM 373 CB ASN A 48 1.010 4.955 3.082 1.00 0.00 C ATOM 374 CG ASN A 48 -0.222 4.456 3.806 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.588 4.969 4.864 1.00 0.00 O ATOM 376 ND2 ASN A 48 -0.869 3.445 3.238 1.00 0.00 N ATOM 0 H ASN A 48 3.134 5.268 1.856 1.00 0.00 H new ATOM 0 HA ASN A 48 2.494 4.064 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.248 5.961 3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.795 5.028 2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.705 3.063 3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.530 3.051 2.361 1.00 0.00 H new ATOM 383 N VAL A 49 1.895 2.358 1.582 1.00 0.00 N ATOM 384 CA VAL A 49 1.588 1.027 1.071 1.00 0.00 C ATOM 385 C VAL A 49 2.653 0.024 1.497 1.00 0.00 C ATOM 386 O VAL A 49 2.356 -0.966 2.162 1.00 0.00 O ATOM 387 CB VAL A 49 1.480 1.015 -0.466 1.00 0.00 C ATOM 388 CG1 VAL A 49 1.007 -0.347 -0.956 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.550 2.118 -0.946 1.00 0.00 C ATOM 0 H VAL A 49 2.110 3.049 0.863 1.00 0.00 H new ATOM 0 HA VAL A 49 0.624 0.744 1.493 1.00 0.00 H new ATOM 0 HB VAL A 49 2.469 1.202 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.936 -0.338 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.718 -1.113 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.028 -0.567 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.487 2.093 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.443 1.967 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.938 3.085 -0.627 1.00 0.00 H new ATOM 399 N ILE A 50 3.898 0.288 1.108 1.00 0.00 N ATOM 400 CA ILE A 50 5.009 -0.594 1.451 1.00 0.00 C ATOM 401 C ILE A 50 4.991 -0.952 2.935 1.00 0.00 C ATOM 402 O ILE A 50 5.409 -2.041 3.327 1.00 0.00 O ATOM 403 CB ILE A 50 6.365 0.051 1.099 1.00 0.00 C ATOM 404 CG1 ILE A 50 7.509 -0.932 1.363 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.567 1.334 1.890 1.00 0.00 C ATOM 406 CD1 ILE A 50 8.576 -0.919 0.290 1.00 0.00 C ATOM 0 H ILE A 50 4.162 1.104 0.556 1.00 0.00 H new ATOM 0 HA ILE A 50 4.886 -1.504 0.864 1.00 0.00 H new ATOM 0 HB ILE A 50 6.364 0.300 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.967 -0.694 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.100 -1.939 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.529 1.775 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.769 2.037 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.548 1.111 2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.354 -1.639 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.131 -1.186 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.012 0.078 0.222 1.00 0.00 H new ATOM 418 N ASN A 51 4.500 -0.028 3.752 1.00 0.00 N ATOM 419 CA ASN A 51 4.422 -0.243 5.192 1.00 0.00 C ATOM 420 C ASN A 51 3.321 -1.242 5.534 1.00 0.00 C ATOM 421 O ASN A 51 3.504 -2.114 6.384 1.00 0.00 O ATOM 422 CB ASN A 51 4.168 1.081 5.913 1.00 0.00 C ATOM 423 CG ASN A 51 5.452 1.772 6.324 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.438 1.764 5.585 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.445 2.365 7.506 1.00 0.00 N ATOM 0 H ASN A 51 4.150 0.878 3.442 1.00 0.00 H new ATOM 0 HA ASN A 51 5.375 -0.653 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.596 1.742 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.558 0.898 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.281 2.843 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.603 2.344 8.082 1.00 0.00 H new ATOM 432 N ASN A 52 2.180 -1.110 4.867 1.00 0.00 N ATOM 433 CA ASN A 52 1.049 -2.001 5.100 1.00 0.00 C ATOM 434 C ASN A 52 1.199 -3.291 4.301 1.00 0.00 C ATOM 435 O ASN A 52 1.167 -4.387 4.861 1.00 0.00 O ATOM 436 CB ASN A 52 -0.262 -1.306 4.731 1.00 0.00 C ATOM 437 CG ASN A 52 -0.885 -0.584 5.910 1.00 0.00 C ATOM 438 OD1 ASN A 52 -2.029 -0.848 6.281 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.134 0.335 6.504 1.00 0.00 N ATOM 0 H ASN A 52 2.013 -0.394 4.160 1.00 0.00 H new ATOM 0 HA ASN A 52 1.030 -2.253 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.078 -0.593 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.966 -2.044 4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.500 0.855 7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.809 0.521 6.163 1.00 0.00 H new ATOM 446 N ALA A 53 1.366 -3.154 2.989 1.00 0.00 N ATOM 447 CA ALA A 53 1.523 -4.309 2.111 1.00 0.00 C ATOM 448 C ALA A 53 2.590 -5.262 2.646 1.00 0.00 C ATOM 449 O ALA A 53 2.496 -6.478 2.471 1.00 0.00 O ATOM 450 CB ALA A 53 1.873 -3.853 0.700 1.00 0.00 C ATOM 0 H ALA A 53 1.396 -2.254 2.510 1.00 0.00 H new ATOM 0 HA ALA A 53 0.576 -4.848 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.988 -4.724 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.075 -3.218 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.807 -3.291 0.720 1.00 0.00 H new ATOM 456 N LYS A 54 3.597 -4.703 3.311 1.00 0.00 N ATOM 457 CA LYS A 54 4.674 -5.505 3.879 1.00 0.00 C ATOM 458 C LYS A 54 4.251 -6.099 5.217 1.00 0.00 C ATOM 459 O LYS A 54 4.513 -7.267 5.500 1.00 0.00 O ATOM 460 CB LYS A 54 5.938 -4.662 4.056 1.00 0.00 C ATOM 461 CG LYS A 54 7.169 -5.481 4.411 1.00 0.00 C ATOM 462 CD LYS A 54 8.413 -4.611 4.501 1.00 0.00 C ATOM 463 CE LYS A 54 9.022 -4.363 3.130 1.00 0.00 C ATOM 464 NZ LYS A 54 10.503 -4.515 3.145 1.00 0.00 N ATOM 0 H LYS A 54 3.689 -3.700 3.469 1.00 0.00 H new ATOM 0 HA LYS A 54 4.891 -6.319 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.130 -4.112 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.765 -3.923 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.008 -5.987 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.320 -6.256 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.159 -3.658 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.149 -5.092 5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.593 -5.060 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.763 -3.359 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.880 -4.338 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.915 -3.832 3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.750 -5.481 3.441 1.00 0.00 H new ATOM 478 N LYS A 55 3.586 -5.287 6.034 1.00 0.00 N ATOM 479 CA LYS A 55 3.117 -5.738 7.339 1.00 0.00 C ATOM 480 C LYS A 55 2.162 -6.915 7.182 1.00 0.00 C ATOM 481 O LYS A 55 2.151 -7.836 8.000 1.00 0.00 O ATOM 482 CB LYS A 55 2.426 -4.592 8.082 1.00 0.00 C ATOM 483 CG LYS A 55 3.136 -4.178 9.359 1.00 0.00 C ATOM 484 CD LYS A 55 2.687 -2.803 9.827 1.00 0.00 C ATOM 485 CE LYS A 55 1.280 -2.842 10.398 1.00 0.00 C ATOM 486 NZ LYS A 55 0.255 -2.493 9.376 1.00 0.00 N ATOM 0 H LYS A 55 3.361 -4.316 5.816 1.00 0.00 H new ATOM 0 HA LYS A 55 3.978 -6.063 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.357 -3.730 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.406 -4.890 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.938 -4.912 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.213 -4.173 9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.378 -2.431 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.723 -2.103 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.076 -3.838 10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.209 -2.148 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.203 -1.597 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.711 -2.392 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.460 -3.247 9.330 1.00 0.00 H new ATOM 500 N ASN A 56 1.366 -6.878 6.119 1.00 0.00 N ATOM 501 CA ASN A 56 0.411 -7.942 5.841 1.00 0.00 C ATOM 502 C ASN A 56 1.134 -9.196 5.363 1.00 0.00 C ATOM 503 O ASN A 56 0.835 -10.305 5.805 1.00 0.00 O ATOM 504 CB ASN A 56 -0.601 -7.486 4.790 1.00 0.00 C ATOM 505 CG ASN A 56 -1.650 -6.554 5.364 1.00 0.00 C ATOM 506 OD1 ASN A 56 -2.520 -6.974 6.127 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.572 -5.279 4.999 1.00 0.00 N ATOM 0 H ASN A 56 1.364 -6.121 5.435 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.121 -8.177 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.076 -6.982 3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.091 -8.359 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.250 -4.605 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.834 -4.974 4.364 1.00 0.00 H new ATOM 514 N LEU A 57 2.094 -9.011 4.460 1.00 0.00 N ATOM 515 CA LEU A 57 2.868 -10.129 3.926 1.00 0.00 C ATOM 516 C LEU A 57 3.467 -10.962 5.057 1.00 0.00 C ATOM 517 O LEU A 57 3.187 -12.156 5.187 1.00 0.00 O ATOM 518 CB LEU A 57 3.985 -9.612 3.017 1.00 0.00 C ATOM 519 CG LEU A 57 3.535 -9.166 1.625 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.512 -8.152 1.049 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.399 -10.365 0.699 1.00 0.00 C ATOM 0 H LEU A 57 2.354 -8.100 4.083 1.00 0.00 H new ATOM 0 HA LEU A 57 2.196 -10.761 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.474 -8.772 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.734 -10.396 2.906 1.00 0.00 H new ATOM 0 HG LEU A 57 2.559 -8.690 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.176 -7.846 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.559 -7.280 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.502 -8.603 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.078 -10.029 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.361 -10.871 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.660 -11.056 1.105 1.00 0.00 H new ATOM 533 N GLU A 58 4.294 -10.318 5.873 1.00 0.00 N ATOM 534 CA GLU A 58 4.936 -10.990 6.993 1.00 0.00 C ATOM 535 C GLU A 58 3.898 -11.552 7.957 1.00 0.00 C ATOM 536 O GLU A 58 4.125 -12.577 8.598 1.00 0.00 O ATOM 537 CB GLU A 58 5.866 -10.025 7.730 1.00 0.00 C ATOM 538 CG GLU A 58 7.280 -9.998 7.172 1.00 0.00 C ATOM 539 CD GLU A 58 8.088 -11.217 7.572 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.015 -11.615 8.755 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.794 -11.773 6.705 1.00 0.00 O ATOM 0 H GLU A 58 4.535 -9.331 5.779 1.00 0.00 H new ATOM 0 HA GLU A 58 5.524 -11.818 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.446 -9.020 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.905 -10.304 8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.236 -9.936 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.788 -9.099 7.522 1.00 0.00 H new ATOM 548 N LYS A 59 2.754 -10.878 8.053 1.00 0.00 N ATOM 549 CA LYS A 59 1.681 -11.322 8.936 1.00 0.00 C ATOM 550 C LYS A 59 1.275 -12.752 8.602 1.00 0.00 C ATOM 551 O LYS A 59 0.924 -13.535 9.485 1.00 0.00 O ATOM 552 CB LYS A 59 0.471 -10.393 8.819 1.00 0.00 C ATOM 553 CG LYS A 59 -0.596 -10.648 9.871 1.00 0.00 C ATOM 554 CD LYS A 59 -0.338 -9.841 11.132 1.00 0.00 C ATOM 555 CE LYS A 59 -0.691 -10.634 12.381 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.794 -9.762 13.583 1.00 0.00 N ATOM 0 H LYS A 59 2.548 -10.026 7.532 1.00 0.00 H new ATOM 0 HA LYS A 59 2.047 -11.291 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.808 -9.359 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.029 -10.509 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.575 -10.391 9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.621 -11.710 10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.711 -9.548 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.925 -8.923 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.638 -11.152 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.067 -11.399 12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.036 -10.341 14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.117 -9.287 13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.535 -9.048 13.431 1.00 0.00 H new ATOM 570 N TYR A 60 1.338 -13.087 7.317 1.00 0.00 N ATOM 571 CA TYR A 60 0.990 -14.425 6.858 1.00 0.00 C ATOM 572 C TYR A 60 2.119 -15.405 7.159 1.00 0.00 C ATOM 573 O TYR A 60 1.883 -16.515 7.634 1.00 0.00 O ATOM 574 CB TYR A 60 0.704 -14.419 5.356 1.00 0.00 C ATOM 575 CG TYR A 60 -0.114 -13.236 4.891 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.403 -13.028 5.362 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.406 -12.332 3.976 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.152 -11.948 4.934 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.337 -11.250 3.541 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.615 -11.063 4.023 1.00 0.00 C ATOM 581 OH TYR A 60 -2.360 -9.990 3.592 1.00 0.00 O ATOM 0 H TYR A 60 1.627 -12.449 6.576 1.00 0.00 H new ATOM 0 HA TYR A 60 0.093 -14.742 7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.651 -14.428 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.179 -15.337 5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.827 -13.721 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.407 -12.476 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.153 -11.798 5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.081 -10.555 2.828 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.342 -9.951 2.613 1.00 0.00 H new ATOM 591 N PHE A 61 3.347 -14.981 6.878 1.00 0.00 N ATOM 592 CA PHE A 61 4.517 -15.819 7.118 1.00 0.00 C ATOM 593 C PHE A 61 4.799 -15.954 8.613 1.00 0.00 C ATOM 594 O PHE A 61 5.476 -16.884 9.045 1.00 0.00 O ATOM 595 CB PHE A 61 5.741 -15.237 6.407 1.00 0.00 C ATOM 596 CG PHE A 61 6.785 -16.264 6.069 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.618 -17.112 4.985 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.934 -16.380 6.834 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.578 -18.055 4.672 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.897 -17.323 6.526 1.00 0.00 C ATOM 601 CZ PHE A 61 8.719 -18.161 5.443 1.00 0.00 C ATOM 0 H PHE A 61 3.558 -14.064 6.485 1.00 0.00 H new ATOM 0 HA PHE A 61 4.308 -16.811 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.418 -14.744 5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.188 -14.471 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.728 -17.035 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.079 -15.726 7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.436 -18.709 3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.787 -17.404 7.132 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.470 -18.898 5.199 1.00 0.00 H new ATOM 611 N LYS A 62 4.278 -15.020 9.400 1.00 0.00 N ATOM 612 CA LYS A 62 4.477 -15.045 10.843 1.00 0.00 C ATOM 613 C LYS A 62 3.405 -15.887 11.529 1.00 0.00 C ATOM 614 O LYS A 62 3.596 -16.358 12.650 1.00 0.00 O ATOM 615 CB LYS A 62 4.461 -13.623 11.408 1.00 0.00 C ATOM 616 CG LYS A 62 5.244 -13.472 12.702 1.00 0.00 C ATOM 617 CD LYS A 62 4.812 -12.236 13.475 1.00 0.00 C ATOM 618 CE LYS A 62 5.466 -12.180 14.845 1.00 0.00 C ATOM 619 NZ LYS A 62 5.067 -10.960 15.602 1.00 0.00 N ATOM 0 H LYS A 62 3.716 -14.238 9.064 1.00 0.00 H new ATOM 0 HA LYS A 62 5.449 -15.497 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.871 -12.941 10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.428 -13.322 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.100 -14.358 13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.309 -13.409 12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.073 -11.342 12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.728 -12.236 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.191 -13.067 15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.550 -12.198 14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.534 -10.960 16.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.352 -10.113 15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.035 -10.955 15.734 1.00 0.00 H new ATOM 633 N GLU A 63 2.270 -16.061 10.857 1.00 0.00 N ATOM 634 CA GLU A 63 1.165 -16.832 11.416 1.00 0.00 C ATOM 635 C GLU A 63 1.144 -18.269 10.899 1.00 0.00 C ATOM 636 O GLU A 63 0.912 -19.204 11.665 1.00 0.00 O ATOM 637 CB GLU A 63 -0.168 -16.149 11.098 1.00 0.00 C ATOM 638 CG GLU A 63 -0.509 -16.143 9.617 1.00 0.00 C ATOM 639 CD GLU A 63 -1.743 -15.318 9.304 1.00 0.00 C ATOM 640 OE1 GLU A 63 -2.462 -14.942 10.254 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.990 -15.049 8.110 1.00 0.00 O ATOM 0 H GLU A 63 2.092 -15.680 9.928 1.00 0.00 H new ATOM 0 HA GLU A 63 1.312 -16.871 12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.965 -16.654 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.136 -15.121 11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.338 -15.750 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.667 -17.168 9.281 1.00 0.00 H new ATOM 648 N HIS A 64 1.363 -18.447 9.597 1.00 0.00 N ATOM 649 CA HIS A 64 1.338 -19.786 9.006 1.00 0.00 C ATOM 650 C HIS A 64 2.669 -20.168 8.364 1.00 0.00 C ATOM 651 O HIS A 64 2.760 -21.190 7.682 1.00 0.00 O ATOM 652 CB HIS A 64 0.216 -19.884 7.972 1.00 0.00 C ATOM 653 CG HIS A 64 -1.127 -20.167 8.573 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.971 -21.152 8.102 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.773 -19.587 9.613 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.076 -21.166 8.826 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.980 -20.226 9.749 1.00 0.00 N ATOM 0 H HIS A 64 1.557 -17.693 8.938 1.00 0.00 H new ATOM 0 HA HIS A 64 1.156 -20.490 9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.165 -18.950 7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.459 -20.671 7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.407 -18.774 10.222 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.915 -21.832 8.687 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.689 -20.010 10.450 1.00 0.00 H new ATOM 666 N PHE A 65 3.695 -19.358 8.590 1.00 0.00 N ATOM 667 CA PHE A 65 5.026 -19.622 8.038 1.00 0.00 C ATOM 668 C PHE A 65 4.952 -20.126 6.597 1.00 0.00 C ATOM 669 O PHE A 65 5.708 -21.014 6.200 1.00 0.00 O ATOM 670 CB PHE A 65 5.765 -20.643 8.907 1.00 0.00 C ATOM 671 CG PHE A 65 7.253 -20.453 8.919 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.815 -19.314 9.473 1.00 0.00 C ATOM 673 CD2 PHE A 65 8.093 -21.413 8.376 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.185 -19.135 9.485 1.00 0.00 C ATOM 675 CE2 PHE A 65 9.463 -21.239 8.385 1.00 0.00 C ATOM 676 CZ PHE A 65 10.010 -20.099 8.940 1.00 0.00 C ATOM 0 H PHE A 65 3.635 -18.509 9.153 1.00 0.00 H new ATOM 0 HA PHE A 65 5.574 -18.679 8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.390 -20.578 9.928 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.538 -21.647 8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.174 -18.557 9.901 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.671 -22.307 7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.610 -18.242 9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.106 -21.994 7.958 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.081 -19.962 8.948 1.00 0.00 H new ATOM 686 N LYS A 66 4.037 -19.559 5.819 1.00 0.00 N ATOM 687 CA LYS A 66 3.867 -19.955 4.425 1.00 0.00 C ATOM 688 C LYS A 66 3.714 -18.732 3.525 1.00 0.00 C ATOM 689 O LYS A 66 4.357 -18.635 2.480 1.00 0.00 O ATOM 690 CB LYS A 66 2.648 -20.867 4.278 1.00 0.00 C ATOM 691 CG LYS A 66 2.901 -22.296 4.731 1.00 0.00 C ATOM 692 CD LYS A 66 1.660 -22.909 5.359 1.00 0.00 C ATOM 693 CE LYS A 66 1.865 -24.382 5.674 1.00 0.00 C ATOM 694 NZ LYS A 66 1.368 -25.259 4.579 1.00 0.00 N ATOM 0 H LYS A 66 3.402 -18.824 6.129 1.00 0.00 H new ATOM 0 HA LYS A 66 4.759 -20.500 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.822 -20.452 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.334 -20.875 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.214 -22.899 3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.720 -22.311 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.410 -22.371 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.814 -22.795 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.925 -24.574 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.348 -24.630 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.526 -26.255 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.351 -25.095 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.879 -25.040 3.700 1.00 0.00 H new ATOM 708 N GLU A 67 2.858 -17.804 3.938 1.00 0.00 N ATOM 709 CA GLU A 67 2.618 -16.588 3.170 1.00 0.00 C ATOM 710 C GLU A 67 1.999 -16.911 1.814 1.00 0.00 C ATOM 711 O GLU A 67 2.702 -17.271 0.868 1.00 0.00 O ATOM 712 CB GLU A 67 3.922 -15.810 2.978 1.00 0.00 C ATOM 713 CG GLU A 67 3.735 -14.467 2.291 1.00 0.00 C ATOM 714 CD GLU A 67 4.736 -14.237 1.174 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.897 -14.673 1.319 1.00 0.00 O ATOM 716 OE2 GLU A 67 4.357 -13.622 0.155 1.00 0.00 O ATOM 0 H GLU A 67 2.318 -17.871 4.801 1.00 0.00 H new ATOM 0 HA GLU A 67 1.916 -15.970 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.386 -15.649 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.613 -16.415 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.725 -14.408 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.830 -13.670 3.028 1.00 0.00 H new ATOM 723 N PHE A 68 0.680 -16.779 1.727 1.00 0.00 N ATOM 724 CA PHE A 68 -0.038 -17.055 0.488 1.00 0.00 C ATOM 725 C PHE A 68 -0.842 -15.836 0.048 1.00 0.00 C ATOM 726 O PHE A 68 -2.005 -15.952 -0.339 1.00 0.00 O ATOM 727 CB PHE A 68 -0.970 -18.256 0.672 1.00 0.00 C ATOM 728 CG PHE A 68 -0.300 -19.579 0.433 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.087 -20.040 -0.856 1.00 0.00 C ATOM 730 CD2 PHE A 68 0.118 -20.361 1.498 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.530 -21.257 -1.080 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.735 -21.578 1.281 1.00 0.00 C ATOM 733 CZ PHE A 68 0.941 -22.027 -0.009 1.00 0.00 C ATOM 0 H PHE A 68 0.086 -16.482 2.501 1.00 0.00 H new ATOM 0 HA PHE A 68 0.693 -17.287 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.374 -18.240 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.815 -18.158 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.407 -19.441 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.040 -20.015 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.690 -21.605 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.056 -22.178 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.423 -22.978 -0.180 1.00 0.00 H new ATOM 743 N ASP A 69 -0.216 -14.665 0.112 1.00 0.00 N ATOM 744 CA ASP A 69 -0.878 -13.426 -0.278 1.00 0.00 C ATOM 745 C ASP A 69 0.121 -12.424 -0.851 1.00 0.00 C ATOM 746 O ASP A 69 1.161 -12.154 -0.251 1.00 0.00 O ATOM 747 CB ASP A 69 -1.601 -12.813 0.925 1.00 0.00 C ATOM 748 CG ASP A 69 -3.082 -12.618 0.673 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.862 -13.551 0.961 1.00 0.00 O ATOM 750 OD2 ASP A 69 -3.465 -11.533 0.187 1.00 0.00 O ATOM 0 H ASP A 69 0.746 -14.549 0.429 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.606 -13.663 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.465 -13.457 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.147 -11.852 1.167 1.00 0.00 H new ATOM 755 N LYS A 70 -0.209 -11.871 -2.014 1.00 0.00 N ATOM 756 CA LYS A 70 0.650 -10.891 -2.671 1.00 0.00 C ATOM 757 C LYS A 70 -0.027 -9.524 -2.698 1.00 0.00 C ATOM 758 O LYS A 70 -1.233 -9.425 -2.919 1.00 0.00 O ATOM 759 CB LYS A 70 0.979 -11.343 -4.096 1.00 0.00 C ATOM 760 CG LYS A 70 2.424 -11.094 -4.495 1.00 0.00 C ATOM 761 CD LYS A 70 2.588 -11.061 -6.006 1.00 0.00 C ATOM 762 CE LYS A 70 3.758 -11.919 -6.460 1.00 0.00 C ATOM 763 NZ LYS A 70 5.033 -11.151 -6.487 1.00 0.00 N ATOM 0 H LYS A 70 -1.067 -12.085 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 70 1.578 -10.811 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.763 -12.407 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.323 -10.822 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.762 -10.148 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.058 -11.876 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.672 -11.414 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.741 -10.033 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.863 -12.773 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.553 -12.316 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.806 -11.772 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.942 -10.351 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.243 -10.793 -5.533 1.00 0.00 H new ATOM 777 N ILE A 71 0.751 -8.470 -2.465 1.00 0.00 N ATOM 778 CA ILE A 71 0.206 -7.118 -2.458 1.00 0.00 C ATOM 779 C ILE A 71 1.051 -6.161 -3.289 1.00 0.00 C ATOM 780 O ILE A 71 2.281 -6.166 -3.212 1.00 0.00 O ATOM 781 CB ILE A 71 0.079 -6.571 -1.023 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.796 -7.502 -0.184 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.500 -5.163 -1.036 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.109 -8.020 1.061 1.00 0.00 C ATOM 0 H ILE A 71 1.753 -8.526 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.786 -7.183 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 71 1.072 -6.526 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.703 -6.971 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.104 -8.348 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.582 -4.794 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.155 -4.506 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.488 -5.180 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.789 -8.674 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.783 -8.579 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.175 -7.181 1.696 1.00 0.00 H new ATOM 796 N SER A 72 0.372 -5.337 -4.075 1.00 0.00 N ATOM 797 CA SER A 72 1.031 -4.358 -4.926 1.00 0.00 C ATOM 798 C SER A 72 0.278 -3.031 -4.888 1.00 0.00 C ATOM 799 O SER A 72 -0.826 -2.952 -4.349 1.00 0.00 O ATOM 800 CB SER A 72 1.115 -4.882 -6.360 1.00 0.00 C ATOM 801 OG SER A 72 1.275 -3.822 -7.287 1.00 0.00 O ATOM 0 H SER A 72 -0.646 -5.328 -4.140 1.00 0.00 H new ATOM 0 HA SER A 72 2.042 -4.192 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.952 -5.574 -6.448 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.211 -5.443 -6.598 1.00 0.00 H new ATOM 0 HG SER A 72 1.327 -4.187 -8.195 1.00 0.00 H new ATOM 807 N TYR A 73 0.875 -1.988 -5.457 1.00 0.00 N ATOM 808 CA TYR A 73 0.246 -0.672 -5.476 1.00 0.00 C ATOM 809 C TYR A 73 0.762 0.174 -6.637 1.00 0.00 C ATOM 810 O TYR A 73 1.888 -0.012 -7.101 1.00 0.00 O ATOM 811 CB TYR A 73 0.493 0.049 -4.147 1.00 0.00 C ATOM 812 CG TYR A 73 1.914 0.542 -3.977 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.971 -0.353 -3.863 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.196 1.901 -3.933 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.270 0.095 -3.711 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.492 2.356 -3.780 1.00 0.00 C ATOM 817 CZ TYR A 73 4.525 1.449 -3.670 1.00 0.00 C ATOM 818 OH TYR A 73 5.817 1.899 -3.519 1.00 0.00 O ATOM 0 H TYR A 73 1.789 -2.028 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.826 -0.813 -5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.188 0.897 -4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.252 -0.627 -3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.775 -1.415 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.389 2.614 -4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.081 -0.613 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.695 3.416 -3.747 1.00 0.00 H new ATOM 0 HH TYR A 73 6.011 2.573 -4.204 1.00 0.00 H new ATOM 828 N ASP A 74 -0.070 1.102 -7.099 1.00 0.00 N ATOM 829 CA ASP A 74 0.299 1.981 -8.204 1.00 0.00 C ATOM 830 C ASP A 74 -0.668 3.158 -8.311 1.00 0.00 C ATOM 831 O ASP A 74 -1.719 3.170 -7.671 1.00 0.00 O ATOM 832 CB ASP A 74 0.318 1.200 -9.520 1.00 0.00 C ATOM 833 CG ASP A 74 1.250 1.816 -10.545 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.227 2.479 -10.136 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.004 1.636 -11.755 1.00 0.00 O ATOM 0 H ASP A 74 -1.005 1.265 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 74 1.297 2.372 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.625 0.173 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.691 1.159 -9.929 1.00 0.00 H new ATOM 840 N ILE A 75 -0.305 4.142 -9.127 1.00 0.00 N ATOM 841 CA ILE A 75 -1.141 5.322 -9.322 1.00 0.00 C ATOM 842 C ILE A 75 -1.669 5.385 -10.751 1.00 0.00 C ATOM 843 O ILE A 75 -1.301 4.566 -11.593 1.00 0.00 O ATOM 844 CB ILE A 75 -0.366 6.619 -9.017 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.874 6.721 -9.909 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.023 6.672 -7.547 1.00 0.00 C ATOM 847 CD1 ILE A 75 1.002 8.054 -10.615 1.00 0.00 C ATOM 0 H ILE A 75 0.562 4.146 -9.664 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.977 5.237 -8.628 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.013 7.470 -9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.763 6.554 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.842 5.926 -10.654 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.569 7.594 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.876 6.643 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.655 5.817 -7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.903 8.055 -11.229 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.130 8.215 -11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.066 8.853 -9.876 1.00 0.00 H new ATOM 859 N SER A 76 -2.532 6.361 -11.022 1.00 0.00 N ATOM 860 CA SER A 76 -3.103 6.519 -12.353 1.00 0.00 C ATOM 861 C SER A 76 -3.973 7.771 -12.438 1.00 0.00 C ATOM 862 O SER A 76 -4.237 8.421 -11.422 1.00 0.00 O ATOM 863 CB SER A 76 -3.929 5.286 -12.725 1.00 0.00 C ATOM 864 OG SER A 76 -3.765 4.956 -14.093 1.00 0.00 O ATOM 0 H SER A 76 -2.849 7.050 -10.340 1.00 0.00 H new ATOM 0 HA SER A 76 -2.279 6.627 -13.059 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.627 4.442 -12.105 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.982 5.474 -12.517 1.00 0.00 H new ATOM 0 HG SER A 76 -4.302 4.164 -14.305 1.00 0.00 H new ATOM 870 N THR A 77 -4.410 8.094 -13.653 1.00 0.00 N ATOM 871 CA THR A 77 -5.250 9.261 -13.881 1.00 0.00 C ATOM 872 C THR A 77 -4.527 10.551 -13.501 1.00 0.00 C ATOM 873 O THR A 77 -3.731 10.570 -12.560 1.00 0.00 O ATOM 874 CB THR A 77 -6.561 9.146 -13.098 1.00 0.00 C ATOM 875 OG1 THR A 77 -6.384 9.569 -11.757 1.00 0.00 O ATOM 876 CG2 THR A 77 -7.123 7.741 -13.069 1.00 0.00 C ATOM 0 H THR A 77 -4.194 7.561 -14.495 1.00 0.00 H new ATOM 0 HA THR A 77 -5.476 9.298 -14.947 1.00 0.00 H new ATOM 0 HB THR A 77 -7.267 9.789 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.665 9.048 -11.342 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.051 7.732 -12.498 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.320 7.407 -14.088 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.403 7.071 -12.600 1.00 0.00 H new ATOM 884 N PRO A 78 -4.795 11.653 -14.227 1.00 0.00 N ATOM 885 CA PRO A 78 -4.165 12.947 -13.953 1.00 0.00 C ATOM 886 C PRO A 78 -4.704 13.593 -12.682 1.00 0.00 C ATOM 887 O PRO A 78 -4.122 14.552 -12.175 1.00 0.00 O ATOM 888 CB PRO A 78 -4.545 13.778 -15.185 1.00 0.00 C ATOM 889 CG PRO A 78 -5.814 13.189 -15.661 1.00 0.00 C ATOM 890 CD PRO A 78 -5.733 11.720 -15.365 1.00 0.00 C ATOM 0 HA PRO A 78 -3.091 12.861 -13.790 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.669 14.830 -14.929 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.772 13.725 -15.952 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.667 13.641 -15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.948 13.364 -16.729 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.708 11.307 -15.107 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.365 11.157 -16.223 1.00 0.00 H new ATOM 898 N ILE A 79 -5.810 13.075 -12.168 1.00 0.00 N ATOM 899 CA ILE A 79 -6.420 13.611 -10.958 1.00 0.00 C ATOM 900 C ILE A 79 -5.655 13.179 -9.711 1.00 0.00 C ATOM 901 O ILE A 79 -5.985 13.588 -8.597 1.00 0.00 O ATOM 902 CB ILE A 79 -7.895 13.165 -10.833 1.00 0.00 C ATOM 903 CG1 ILE A 79 -8.580 13.894 -9.672 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.986 11.654 -10.646 1.00 0.00 C ATOM 905 CD1 ILE A 79 -8.451 15.395 -9.744 1.00 0.00 C ATOM 0 H ILE A 79 -6.306 12.280 -12.572 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.381 14.697 -11.037 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.412 13.427 -11.756 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.637 13.628 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.153 13.545 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.032 11.360 -10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.538 11.154 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.453 11.367 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.959 15.845 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.397 15.671 -9.725 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.904 15.755 -10.668 1.00 0.00 H new ATOM 917 N ASN A 80 -4.625 12.353 -9.893 1.00 0.00 N ATOM 918 CA ASN A 80 -3.813 11.868 -8.776 1.00 0.00 C ATOM 919 C ASN A 80 -4.572 10.830 -7.961 1.00 0.00 C ATOM 920 O ASN A 80 -4.661 10.926 -6.741 1.00 0.00 O ATOM 921 CB ASN A 80 -3.392 13.030 -7.879 1.00 0.00 C ATOM 922 CG ASN A 80 -2.209 12.688 -6.997 1.00 0.00 C ATOM 923 OD1 ASN A 80 -1.264 12.035 -7.438 1.00 0.00 O ATOM 924 ND2 ASN A 80 -2.268 13.109 -5.743 1.00 0.00 N ATOM 0 H ASN A 80 -4.332 12.005 -10.806 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.921 11.397 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.141 13.890 -8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.234 13.324 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.509 12.894 -5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.073 13.648 -5.423 1.00 0.00 H new ATOM 931 N PHE A 81 -5.125 9.838 -8.654 1.00 0.00 N ATOM 932 CA PHE A 81 -5.880 8.779 -8.001 1.00 0.00 C ATOM 933 C PHE A 81 -4.956 7.644 -7.575 1.00 0.00 C ATOM 934 O PHE A 81 -4.110 7.195 -8.350 1.00 0.00 O ATOM 935 CB PHE A 81 -6.970 8.247 -8.934 1.00 0.00 C ATOM 936 CG PHE A 81 -8.301 8.068 -8.258 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.450 7.188 -7.206 1.00 0.00 C ATOM 938 CD2 PHE A 81 -9.408 8.785 -8.689 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.675 7.022 -6.589 1.00 0.00 C ATOM 940 CE2 PHE A 81 -10.635 8.623 -8.075 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.770 7.742 -7.025 1.00 0.00 C ATOM 0 H PHE A 81 -5.063 9.748 -9.668 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.352 9.196 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.086 8.933 -9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.649 7.291 -9.347 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.598 6.621 -6.860 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.309 9.477 -9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.776 6.330 -5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.489 9.188 -8.419 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.729 7.615 -6.544 1.00 0.00 H new ATOM 951 N LEU A 82 -5.123 7.181 -6.340 1.00 0.00 N ATOM 952 CA LEU A 82 -4.302 6.098 -5.815 1.00 0.00 C ATOM 953 C LEU A 82 -4.973 4.750 -6.055 1.00 0.00 C ATOM 954 O LEU A 82 -5.868 4.348 -5.310 1.00 0.00 O ATOM 955 CB LEU A 82 -4.050 6.297 -4.320 1.00 0.00 C ATOM 956 CG LEU A 82 -2.963 7.317 -3.978 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.665 6.976 -4.694 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.420 8.723 -4.340 1.00 0.00 C ATOM 0 H LEU A 82 -5.819 7.539 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.346 6.110 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.982 6.609 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.777 5.337 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.781 7.279 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.904 7.713 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.329 5.986 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.831 6.985 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.635 9.436 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.630 8.774 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.323 8.967 -3.781 1.00 0.00 H new ATOM 970 N CYS A 83 -4.541 4.059 -7.103 1.00 0.00 N ATOM 971 CA CYS A 83 -5.103 2.760 -7.446 1.00 0.00 C ATOM 972 C CYS A 83 -4.249 1.626 -6.887 1.00 0.00 C ATOM 973 O CYS A 83 -3.249 1.236 -7.489 1.00 0.00 O ATOM 974 CB CYS A 83 -5.226 2.620 -8.965 1.00 0.00 C ATOM 975 SG CYS A 83 -3.683 2.905 -9.860 1.00 0.00 S ATOM 0 H CYS A 83 -3.802 4.378 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.095 2.694 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.589 1.619 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.977 3.324 -9.324 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.801 3.415 -9.053 1.00 0.00 H new ATOM 981 N ILE A 84 -4.658 1.093 -5.741 1.00 0.00 N ATOM 982 CA ILE A 84 -3.936 -0.004 -5.112 1.00 0.00 C ATOM 983 C ILE A 84 -4.360 -1.334 -5.726 1.00 0.00 C ATOM 984 O ILE A 84 -5.549 -1.603 -5.881 1.00 0.00 O ATOM 985 CB ILE A 84 -4.180 -0.032 -3.584 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.347 1.054 -2.897 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.873 -1.410 -3.001 1.00 0.00 C ATOM 988 CD1 ILE A 84 -1.996 0.576 -2.425 1.00 0.00 C ATOM 0 H ILE A 84 -5.485 1.403 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.871 0.152 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.235 0.172 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.207 1.884 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.904 1.441 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.054 -1.399 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.516 -2.155 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.829 -1.661 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.464 1.400 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.127 -0.234 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.419 0.216 -3.277 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.381 -2.158 -6.080 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.659 -3.455 -6.682 1.00 0.00 C ATOM 1002 C PHE A 85 -3.022 -4.579 -5.873 1.00 0.00 C ATOM 1003 O PHE A 85 -1.819 -4.818 -5.967 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.148 -3.491 -8.126 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.233 -3.706 -9.142 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.229 -2.758 -9.322 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.257 -4.855 -9.916 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.228 -2.953 -10.258 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.254 -5.055 -10.853 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.240 -4.103 -11.024 1.00 0.00 C ATOM 0 H PHE A 85 -2.389 -1.951 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.739 -3.603 -6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.637 -2.554 -8.345 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.409 -4.287 -8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.224 -1.858 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.489 -5.603 -9.786 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.998 -2.207 -10.390 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.262 -5.955 -11.450 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.019 -4.257 -11.756 1.00 0.00 H new ATOM 1020 N ILE A 86 -3.838 -5.263 -5.079 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.357 -6.364 -4.252 1.00 0.00 C ATOM 1022 C ILE A 86 -3.760 -7.715 -4.852 1.00 0.00 C ATOM 1023 O ILE A 86 -4.909 -8.140 -4.724 1.00 0.00 O ATOM 1024 CB ILE A 86 -3.894 -6.255 -2.805 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.569 -7.522 -2.005 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.392 -5.990 -2.805 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.027 -7.461 -0.565 1.00 0.00 C ATOM 0 H ILE A 86 -4.836 -5.074 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.269 -6.299 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.398 -5.413 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.037 -8.379 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.492 -7.691 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.749 -5.917 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.596 -5.055 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.906 -6.808 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.764 -8.390 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.540 -6.625 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.108 -7.324 -0.532 1.00 0.00 H new ATOM 1039 N PRO A 87 -2.820 -8.411 -5.521 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.083 -9.711 -6.140 1.00 0.00 C ATOM 1041 C PRO A 87 -3.093 -10.840 -5.114 1.00 0.00 C ATOM 1042 O PRO A 87 -2.074 -11.131 -4.490 1.00 0.00 O ATOM 1043 CB PRO A 87 -1.916 -9.898 -7.126 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.102 -8.643 -7.051 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.431 -7.997 -5.737 1.00 0.00 C ATOM 0 HA PRO A 87 -4.062 -9.739 -6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.316 -10.768 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.284 -10.063 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.037 -8.867 -7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.339 -7.977 -7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.775 -8.344 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.333 -6.912 -5.782 1.00 0.00 H new ATOM 1053 N THR A 88 -4.249 -11.473 -4.942 1.00 0.00 N ATOM 1054 CA THR A 88 -4.380 -12.566 -3.986 1.00 0.00 C ATOM 1055 C THR A 88 -5.593 -13.434 -4.303 1.00 0.00 C ATOM 1056 O THR A 88 -6.238 -13.263 -5.337 1.00 0.00 O ATOM 1057 CB THR A 88 -4.491 -12.013 -2.564 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.512 -13.065 -1.617 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.731 -11.173 -2.344 1.00 0.00 C ATOM 0 H THR A 88 -5.105 -11.249 -5.450 1.00 0.00 H new ATOM 0 HA THR A 88 -3.488 -13.187 -4.062 1.00 0.00 H new ATOM 0 HB THR A 88 -3.614 -11.380 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.701 -13.607 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.748 -10.812 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.721 -10.323 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.618 -11.778 -2.531 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.898 -14.364 -3.405 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.034 -15.259 -3.587 1.00 0.00 C ATOM 1069 C LEU A 89 -8.004 -15.148 -2.415 1.00 0.00 C ATOM 1070 O LEU A 89 -7.795 -15.754 -1.364 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.554 -16.704 -3.729 1.00 0.00 C ATOM 1072 CG LEU A 89 -7.618 -17.698 -4.204 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -7.512 -17.916 -5.705 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -7.485 -19.018 -3.460 1.00 0.00 C ATOM 0 H LEU A 89 -5.374 -14.518 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.555 -14.965 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.720 -16.726 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.170 -17.039 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.601 -17.280 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.276 -18.625 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.659 -16.967 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.526 -18.312 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.249 -19.712 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.498 -19.442 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.613 -18.848 -2.391 1.00 0.00 H new ATOM 1086 N PHE A 90 -9.064 -14.369 -2.602 1.00 0.00 N ATOM 1087 CA PHE A 90 -10.065 -14.177 -1.560 1.00 0.00 C ATOM 1088 C PHE A 90 -10.709 -15.504 -1.178 1.00 0.00 C ATOM 1089 O PHE A 90 -11.752 -15.882 -1.709 1.00 0.00 O ATOM 1090 CB PHE A 90 -11.133 -13.173 -2.009 1.00 0.00 C ATOM 1091 CG PHE A 90 -11.905 -13.594 -3.231 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -11.367 -13.437 -4.499 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -13.174 -14.140 -3.109 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -12.078 -13.818 -5.621 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.888 -14.524 -4.229 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.339 -14.364 -5.485 1.00 0.00 C ATOM 0 H PHE A 90 -9.252 -13.860 -3.466 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.563 -13.773 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.833 -13.014 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.653 -12.215 -2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.381 -13.012 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -13.609 -14.267 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.648 -13.689 -6.603 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.875 -14.949 -4.121 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.895 -14.665 -6.360 1.00 0.00 H new ATOM 1106 N ASP A 91 -10.074 -16.204 -0.251 1.00 0.00 N ATOM 1107 CA ASP A 91 -10.573 -17.494 0.213 1.00 0.00 C ATOM 1108 C ASP A 91 -9.880 -17.912 1.506 1.00 0.00 C ATOM 1109 O ASP A 91 -10.516 -18.021 2.555 1.00 0.00 O ATOM 1110 CB ASP A 91 -10.364 -18.563 -0.861 1.00 0.00 C ATOM 1111 CG ASP A 91 -11.374 -19.688 -0.757 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -12.511 -19.512 -1.244 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -11.029 -20.746 -0.191 1.00 0.00 O ATOM 0 H ASP A 91 -9.209 -15.901 0.197 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.640 -17.393 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.436 -18.103 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.358 -18.972 -0.772 1.00 0.00 H new ATOM 1118 N MET A 92 -8.575 -18.145 1.424 1.00 0.00 N ATOM 1119 CA MET A 92 -7.798 -18.550 2.589 1.00 0.00 C ATOM 1120 C MET A 92 -7.822 -17.465 3.660 1.00 0.00 C ATOM 1121 O MET A 92 -8.153 -17.728 4.816 1.00 0.00 O ATOM 1122 CB MET A 92 -6.354 -18.857 2.188 1.00 0.00 C ATOM 1123 CG MET A 92 -5.633 -19.768 3.168 1.00 0.00 C ATOM 1124 SD MET A 92 -5.223 -21.374 2.458 1.00 0.00 S ATOM 1125 CE MET A 92 -3.491 -21.506 2.894 1.00 0.00 C ATOM 0 H MET A 92 -8.033 -18.060 0.564 1.00 0.00 H new ATOM 0 HA MET A 92 -8.250 -19.453 3.000 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.350 -19.322 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.803 -17.921 2.101 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.718 -19.280 3.504 1.00 0.00 H new ATOM 0 HG3 MET A 92 -6.259 -19.914 4.049 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.093 -22.450 2.522 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.939 -20.679 2.447 1.00 0.00 H new ATOM 0 HE3 MET A 92 -3.385 -21.469 3.978 1.00 0.00 H new ATOM 1135 N ASN A 93 -7.476 -16.245 3.266 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.465 -15.121 4.192 1.00 0.00 C ATOM 1137 C ASN A 93 -8.676 -14.225 3.965 1.00 0.00 C ATOM 1138 O ASN A 93 -8.566 -12.999 3.967 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.180 -14.308 4.033 1.00 0.00 C ATOM 1140 CG ASN A 93 -5.038 -14.859 4.864 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.257 -15.522 5.878 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -3.810 -14.586 4.439 1.00 0.00 N ATOM 0 H ASN A 93 -7.200 -16.010 2.313 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.508 -15.518 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.888 -14.297 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.370 -13.274 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.002 -14.930 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.674 -14.033 3.593 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.834 -14.848 3.769 1.00 0.00 N ATOM 1150 CA ASN A 94 -11.070 -14.107 3.541 1.00 0.00 C ATOM 1151 C ASN A 94 -11.796 -13.834 4.856 1.00 0.00 C ATOM 1152 O ASN A 94 -13.025 -13.826 4.906 1.00 0.00 O ATOM 1153 CB ASN A 94 -11.986 -14.883 2.593 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.774 -13.970 1.675 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -12.210 -13.098 1.013 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -14.087 -14.165 1.632 1.00 0.00 N ATOM 0 H ASN A 94 -9.942 -15.862 3.763 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.810 -13.151 3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.387 -15.568 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.677 -15.491 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.670 -13.580 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.512 -14.900 2.198 1.00 0.00 H new ATOM 1163 N MET A 95 -11.027 -13.610 5.917 1.00 0.00 N ATOM 1164 CA MET A 95 -11.596 -13.336 7.231 1.00 0.00 C ATOM 1165 C MET A 95 -11.229 -11.932 7.701 1.00 0.00 C ATOM 1166 O MET A 95 -12.030 -11.255 8.348 1.00 0.00 O ATOM 1167 CB MET A 95 -11.112 -14.375 8.246 1.00 0.00 C ATOM 1168 CG MET A 95 -12.227 -15.244 8.805 1.00 0.00 C ATOM 1169 SD MET A 95 -11.884 -15.818 10.479 1.00 0.00 S ATOM 1170 CE MET A 95 -11.840 -14.262 11.366 1.00 0.00 C ATOM 0 H MET A 95 -10.007 -13.613 5.892 1.00 0.00 H new ATOM 0 HA MET A 95 -12.681 -13.398 7.151 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.367 -15.014 7.772 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.615 -13.862 9.069 1.00 0.00 H new ATOM 0 HG2 MET A 95 -13.159 -14.679 8.802 1.00 0.00 H new ATOM 0 HG3 MET A 95 -12.374 -16.105 8.153 1.00 0.00 H new ATOM 0 HE1 MET A 95 -12.081 -14.434 12.415 1.00 0.00 H new ATOM 0 HE2 MET A 95 -10.843 -13.828 11.290 1.00 0.00 H new ATOM 0 HE3 MET A 95 -12.569 -13.576 10.934 1.00 0.00 H new ATOM 1180 N ASP A 96 -10.016 -11.497 7.376 1.00 0.00 N ATOM 1181 CA ASP A 96 -9.551 -10.172 7.771 1.00 0.00 C ATOM 1182 C ASP A 96 -8.244 -9.817 7.070 1.00 0.00 C ATOM 1183 O ASP A 96 -7.165 -10.226 7.500 1.00 0.00 O ATOM 1184 CB ASP A 96 -9.360 -10.108 9.286 1.00 0.00 C ATOM 1185 CG ASP A 96 -9.731 -8.754 9.859 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -10.936 -8.426 9.873 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -8.817 -8.022 10.293 1.00 0.00 O ATOM 0 H ASP A 96 -9.339 -12.041 6.842 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.309 -9.448 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.969 -10.879 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.321 -10.329 9.528 1.00 0.00 H new ATOM 1192 N LEU A 97 -8.348 -9.049 5.989 1.00 0.00 N ATOM 1193 CA LEU A 97 -7.174 -8.634 5.230 1.00 0.00 C ATOM 1194 C LEU A 97 -7.347 -7.217 4.694 1.00 0.00 C ATOM 1195 O LEU A 97 -6.633 -6.299 5.098 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.917 -9.607 4.075 1.00 0.00 C ATOM 1197 CG LEU A 97 -5.625 -10.418 4.193 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.630 -11.242 5.470 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -5.449 -11.315 2.977 1.00 0.00 C ATOM 0 H LEU A 97 -9.233 -8.702 5.620 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.314 -8.645 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.758 -10.298 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.891 -9.043 3.143 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.784 -9.726 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.704 -11.813 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.712 -10.578 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.478 -11.927 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.525 -11.885 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.293 -12.001 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.402 -10.702 2.077 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.299 -7.047 3.783 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.567 -5.740 3.194 1.00 0.00 C ATOM 1213 C LEU A 98 -9.019 -4.742 4.256 1.00 0.00 C ATOM 1214 O LEU A 98 -8.916 -3.530 4.065 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.631 -5.861 2.099 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.317 -5.105 0.807 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.496 -5.975 -0.133 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.601 -4.650 0.131 1.00 0.00 C ATOM 0 H LEU A 98 -8.897 -7.797 3.437 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.641 -5.372 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.768 -6.916 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.580 -5.498 2.494 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.730 -4.222 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.282 -5.421 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.560 -6.251 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.058 -6.876 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.359 -4.114 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.214 -5.519 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.152 -3.991 0.802 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.521 -5.256 5.376 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.989 -4.408 6.468 1.00 0.00 C ATOM 1232 C LYS A 99 -8.906 -3.426 6.907 1.00 0.00 C ATOM 1233 O LYS A 99 -9.205 -2.338 7.400 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.423 -5.268 7.656 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.415 -4.575 8.579 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.660 -5.420 8.797 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.347 -5.066 10.099 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.086 -6.073 11.164 1.00 0.00 N ATOM 0 H LYS A 99 -9.614 -6.257 5.551 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.843 -3.836 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.869 -6.190 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.541 -5.551 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.940 -4.372 9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.698 -3.612 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.351 -5.273 7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.389 -6.476 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.004 -4.087 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.421 -4.987 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.576 -5.790 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.436 -7.003 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.063 -6.131 11.344 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.647 -3.813 6.719 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.527 -2.961 7.094 1.00 0.00 C ATOM 1254 C GLN A 100 -6.298 -1.887 6.037 1.00 0.00 C ATOM 1255 O GLN A 100 -6.277 -0.695 6.340 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.258 -3.797 7.278 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.900 -4.043 8.735 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.871 -5.143 8.905 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -2.667 -4.902 8.812 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -4.341 -6.359 9.156 1.00 0.00 N ATOM 0 H GLN A 100 -7.379 -4.708 6.310 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.766 -2.475 8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.389 -4.756 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.426 -3.292 6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.516 -3.121 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.802 -4.306 9.288 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.347 -6.513 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.696 -7.139 9.280 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.139 -2.322 4.792 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.922 -1.404 3.682 1.00 0.00 C ATOM 1271 C ALA A 101 -7.074 -0.412 3.567 1.00 0.00 C ATOM 1272 O ALA A 101 -6.883 0.738 3.168 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.759 -2.185 2.387 1.00 0.00 C ATOM 0 H ALA A 101 -6.157 -3.307 4.527 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.009 -0.839 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.597 -1.492 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.903 -2.855 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.660 -2.769 2.199 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.272 -0.868 3.921 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.462 -0.028 3.861 1.00 0.00 C ATOM 1281 C LEU A 102 -9.461 0.998 4.991 1.00 0.00 C ATOM 1282 O LEU A 102 -9.957 2.112 4.830 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.723 -0.890 3.938 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.384 -1.193 2.593 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.420 -2.296 2.744 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.022 0.064 2.018 1.00 0.00 C ATOM 0 H LEU A 102 -8.444 -1.817 4.253 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.453 0.506 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.471 -1.833 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.449 -0.388 4.577 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.615 -1.537 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.880 -2.498 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.937 -3.201 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.187 -1.981 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.488 -0.170 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.779 0.436 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.257 0.827 1.873 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.904 0.613 6.135 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.842 1.500 7.290 1.00 0.00 C ATOM 1300 C LEU A 103 -7.856 2.642 7.056 1.00 0.00 C ATOM 1301 O LEU A 103 -7.993 3.719 7.637 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.446 0.712 8.541 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.604 0.288 9.435 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -10.148 1.487 10.205 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.709 -0.368 8.615 1.00 0.00 C ATOM 0 H LEU A 103 -8.490 -0.307 6.286 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.832 1.931 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.902 -0.180 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.757 1.318 9.129 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.233 -0.445 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.975 1.167 10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.358 1.910 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.501 2.241 9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.525 -0.663 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.079 0.339 7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.313 -1.250 8.111 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.862 2.401 6.206 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.858 3.414 5.904 1.00 0.00 C ATOM 1319 C ILE A 104 -6.375 4.417 4.877 1.00 0.00 C ATOM 1320 O ILE A 104 -6.330 5.626 5.102 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.554 2.781 5.379 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.064 1.697 6.340 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.485 3.847 5.187 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.654 2.229 7.696 1.00 0.00 C ATOM 0 H ILE A 104 -6.731 1.516 5.716 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.647 3.933 6.839 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.757 2.320 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -4.853 0.957 6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.216 1.181 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.571 3.383 4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.834 4.587 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.283 4.335 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.318 1.404 8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.843 2.947 7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.506 2.720 8.167 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.863 3.911 3.747 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.385 4.774 2.692 1.00 0.00 C ATOM 1338 C LEU A 105 -8.501 5.670 3.222 1.00 0.00 C ATOM 1339 O LEU A 105 -8.544 6.866 2.928 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.892 3.936 1.513 1.00 0.00 C ATOM 1341 CG LEU A 105 -9.153 3.116 1.789 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.400 3.970 1.605 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -9.200 1.897 0.881 1.00 0.00 C ATOM 0 H LEU A 105 -6.908 2.913 3.539 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.571 5.410 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.088 4.602 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.098 3.257 1.203 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.124 2.776 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.286 3.368 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.369 4.812 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.439 4.342 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.103 1.323 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.206 2.219 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.324 1.274 1.063 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.401 5.087 4.009 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.510 5.839 4.583 1.00 0.00 C ATOM 1357 C HIS A 106 -10.000 6.852 5.599 1.00 0.00 C ATOM 1358 O HIS A 106 -10.507 7.966 5.687 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.509 4.887 5.241 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.937 5.193 4.901 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.330 5.678 3.671 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -14.070 5.080 5.638 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.638 5.849 3.664 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -15.112 5.492 4.844 1.00 0.00 N ATOM 0 H HIS A 106 -9.383 4.099 4.263 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.014 6.378 3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.282 3.866 4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.383 4.932 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -14.140 4.731 6.658 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.222 6.218 2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -16.093 5.518 5.121 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.979 6.454 6.357 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.392 7.329 7.363 1.00 0.00 C ATOM 1375 C ASN A 107 -7.770 8.557 6.709 1.00 0.00 C ATOM 1376 O ASN A 107 -7.827 9.656 7.250 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.342 6.576 8.178 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.909 5.964 9.440 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.903 5.235 9.400 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -7.288 6.263 10.574 1.00 0.00 N ATOM 0 H ASN A 107 -8.544 5.534 6.292 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.185 7.659 8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.906 5.789 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.535 7.259 8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.630 5.885 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.469 6.870 10.562 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.185 8.355 5.536 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.558 9.439 4.799 1.00 0.00 C ATOM 1389 C ASP A 108 -7.602 10.452 4.345 1.00 0.00 C ATOM 1390 O ASP A 108 -7.382 11.662 4.418 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.794 8.900 3.590 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.416 8.387 3.953 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.573 9.210 4.368 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -4.172 7.175 3.825 1.00 0.00 O ATOM 0 H ASP A 108 -7.133 7.447 5.075 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.852 9.936 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.368 8.095 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.699 9.689 2.844 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.739 9.954 3.883 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.816 10.814 3.419 1.00 0.00 C ATOM 1401 C LEU A 109 -10.566 11.423 4.607 1.00 0.00 C ATOM 1402 O LEU A 109 -11.091 12.527 4.517 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.788 10.024 2.537 1.00 0.00 C ATOM 1404 CG LEU A 109 -10.842 10.470 1.075 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -11.261 9.316 0.182 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -11.800 11.644 0.913 1.00 0.00 C ATOM 0 H LEU A 109 -8.940 8.956 3.820 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.380 11.620 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.511 8.970 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.788 10.104 2.963 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.845 10.793 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.294 9.651 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.542 8.502 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.248 8.964 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.827 11.950 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.799 11.345 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.460 12.479 1.526 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.604 10.686 5.713 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.277 11.144 6.917 1.00 0.00 C ATOM 1420 C HIS A 110 -10.421 12.140 7.695 1.00 0.00 C ATOM 1421 O HIS A 110 -10.876 12.724 8.672 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.624 9.953 7.811 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.603 10.283 8.895 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -13.904 10.669 8.643 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.471 10.286 10.245 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.527 10.893 9.789 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -13.680 10.668 10.776 1.00 0.00 N ATOM 0 H HIS A 110 -10.173 9.765 5.797 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.192 11.651 6.612 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.034 9.153 7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.709 9.570 8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.580 10.034 10.801 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.555 11.207 9.898 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.888 10.762 11.770 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.170 12.325 7.253 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.259 13.251 7.916 1.00 0.00 C ATOM 1438 C GLU A 111 -8.903 14.615 8.132 1.00 0.00 C ATOM 1439 O GLU A 111 -8.537 15.346 9.055 1.00 0.00 O ATOM 1440 CB GLU A 111 -6.978 13.408 7.086 1.00 0.00 C ATOM 1441 CG GLU A 111 -5.749 13.720 7.924 1.00 0.00 C ATOM 1442 CD GLU A 111 -4.877 12.495 8.144 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -4.590 11.788 7.164 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -4.475 12.260 9.306 1.00 0.00 O ATOM 0 H GLU A 111 -8.773 11.847 6.444 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.016 12.836 8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.803 12.490 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.122 14.204 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.164 14.497 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.061 14.119 8.889 1.00 0.00 H new