USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 86 TYR OH : rot -28:sc= 0.895 USER MOD Set 1.2: A 102 HIS : no HD1:sc= 0 X(o=0.89,f=0.86) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.0358 K(o=1.1,f=-5.2!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -136:sc= 0.928 (180deg=0) USER MOD Set 2.3: A 47 MET CE :methyl -156:sc= -0.356 (180deg=-0.147) USER MOD Set 2.4: A 49 SER OG : rot 160:sc= 0.559 USER MOD Set 3.1: A 36 ASN : amide:sc= -1.5 X(o=-1.7,f=-1.8) USER MOD Set 3.2: A 50 ASN : amide:sc= -0.0661 X(o=-1.7,f=-1.7) USER MOD Set 3.3: A 53 THR OG1 : rot -140:sc= -0.0915 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -0.272 K(o=-2.1,f=-3) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -1.83! C(o=-2.1!,f=-3.3!) USER MOD Set 5.1: A 10 TYR OH : rot -72:sc= 1.19 USER MOD Set 5.2: A 59 SER OG : rot 42:sc= 0.918 USER MOD Set 5.3: A 60 THR OG1 : rot 160:sc= 0.00268 USER MOD Set 6.1: A 3 HIS : no HE2:sc= -0.493 K(o=-0.5,f=-1.2) USER MOD Set 6.2: A 4 MET CE :methyl 163:sc=-0.00386 (180deg=-0.0619) USER MOD Set 6.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -126:sc= -0.258 (180deg=-0.397) USER MOD Single : A 44 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1) USER MOD Single : A 45 THR OG1 : rot -42:sc= 1.3 USER MOD Single : A 51 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.054) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00617 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.29 F(o=-1,f=-0.29) USER MOD Single : A 66 SER OG : rot -25:sc= 1.24 USER MOD Single : A 68 SER OG : rot -141:sc= 0.259 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.068) USER MOD Single : A 83 GLN : amide:sc= 0.898 K(o=0.9,f=-0.039) USER MOD Single : A 87 SER OG : rot 180:sc= 0.053 USER MOD Single : A 89 THR OG1 : rot -66:sc= 1.55 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.0624 X(o=0.062,f=0) USER MOD Single : A 103 TYR OH : rot 30:sc=-0.00623 USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0137) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 146:sc= -2.67 (180deg=-6.66!) USER MOD Single : A 113 ASN : amide:sc= 0.21 X(o=0.21,f=-0.25) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.345 -2.296 11.709 1.00 0.00 N ATOM 2 CA GLY A 1 -17.537 -2.654 10.299 1.00 0.00 C ATOM 3 C GLY A 1 -16.491 -3.662 9.850 1.00 0.00 C ATOM 4 O GLY A 1 -15.330 -3.598 10.269 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.509 -1.277 11.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.017 -2.829 12.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.373 -2.528 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.534 -3.071 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.475 -1.759 9.680 1.00 0.00 H new ATOM 8 N SER A 2 -16.874 -4.592 8.971 1.00 0.00 N ATOM 9 CA SER A 2 -15.933 -5.503 8.325 1.00 0.00 C ATOM 10 C SER A 2 -14.961 -4.720 7.422 1.00 0.00 C ATOM 11 O SER A 2 -15.126 -3.510 7.220 1.00 0.00 O ATOM 12 CB SER A 2 -16.727 -6.546 7.524 1.00 0.00 C ATOM 13 OG SER A 2 -17.719 -7.159 8.329 1.00 0.00 O ATOM 0 H SER A 2 -17.844 -4.732 8.689 1.00 0.00 H new ATOM 0 HA SER A 2 -15.333 -6.015 9.077 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.196 -6.069 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.048 -7.306 7.136 1.00 0.00 H new ATOM 0 HG SER A 2 -18.212 -7.817 7.796 1.00 0.00 H new ATOM 19 N HIS A 3 -13.956 -5.397 6.860 1.00 0.00 N ATOM 20 CA HIS A 3 -13.093 -4.809 5.831 1.00 0.00 C ATOM 21 C HIS A 3 -12.814 -5.778 4.683 1.00 0.00 C ATOM 22 O HIS A 3 -12.854 -5.364 3.527 1.00 0.00 O ATOM 23 CB HIS A 3 -11.793 -4.248 6.441 1.00 0.00 C ATOM 24 CG HIS A 3 -10.820 -5.299 6.927 1.00 0.00 C ATOM 25 ND1 HIS A 3 -11.041 -6.196 7.946 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.581 -5.560 6.404 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.978 -7.012 8.005 1.00 0.00 C ATOM 28 NE2 HIS A 3 -9.043 -6.642 7.113 1.00 0.00 N ATOM 0 H HIS A 3 -13.719 -6.359 7.102 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.639 -3.971 5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.295 -3.628 5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.051 -3.597 7.276 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.864 -6.234 8.548 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.106 -5.029 5.593 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.886 -7.852 8.678 1.00 0.00 H new ATOM 36 N MET A 4 -12.546 -7.057 4.974 1.00 0.00 N ATOM 37 CA MET A 4 -12.111 -8.013 3.959 1.00 0.00 C ATOM 38 C MET A 4 -13.116 -8.177 2.823 1.00 0.00 C ATOM 39 O MET A 4 -12.698 -8.370 1.685 1.00 0.00 O ATOM 40 CB MET A 4 -11.807 -9.368 4.611 1.00 0.00 C ATOM 41 CG MET A 4 -10.372 -9.409 5.113 1.00 0.00 C ATOM 42 SD MET A 4 -9.150 -9.605 3.782 1.00 0.00 S ATOM 43 CE MET A 4 -7.892 -8.442 4.362 1.00 0.00 C ATOM 0 H MET A 4 -12.625 -7.451 5.911 1.00 0.00 H new ATOM 0 HA MET A 4 -11.203 -7.611 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.493 -9.541 5.440 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.969 -10.169 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.159 -8.490 5.660 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.265 -10.232 5.819 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.950 -8.641 3.852 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.213 -7.422 4.148 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.755 -8.561 5.437 1.00 0.00 H new ATOM 53 N GLU A 5 -14.419 -8.070 3.102 1.00 0.00 N ATOM 54 CA GLU A 5 -15.453 -8.235 2.080 1.00 0.00 C ATOM 55 C GLU A 5 -15.286 -7.255 0.917 1.00 0.00 C ATOM 56 O GLU A 5 -15.508 -7.638 -0.233 1.00 0.00 O ATOM 57 CB GLU A 5 -16.883 -8.181 2.652 1.00 0.00 C ATOM 58 CG GLU A 5 -17.113 -7.219 3.827 1.00 0.00 C ATOM 59 CD GLU A 5 -18.594 -7.110 4.245 1.00 0.00 C ATOM 60 OE1 GLU A 5 -19.349 -8.106 4.151 1.00 0.00 O ATOM 61 OE2 GLU A 5 -19.009 -6.017 4.714 1.00 0.00 O ATOM 0 H GLU A 5 -14.782 -7.869 4.034 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.310 -9.241 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.563 -7.905 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.161 -9.185 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.525 -7.553 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.746 -6.230 3.555 1.00 0.00 H new ATOM 68 N VAL A 6 -14.855 -6.024 1.195 1.00 0.00 N ATOM 69 CA VAL A 6 -14.602 -5.000 0.187 1.00 0.00 C ATOM 70 C VAL A 6 -13.476 -5.464 -0.741 1.00 0.00 C ATOM 71 O VAL A 6 -13.562 -5.348 -1.960 1.00 0.00 O ATOM 72 CB VAL A 6 -14.245 -3.673 0.898 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.982 -2.542 -0.096 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.375 -3.232 1.837 1.00 0.00 C ATOM 0 H VAL A 6 -14.669 -5.707 2.147 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.490 -4.835 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.336 -3.867 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.735 -1.630 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.150 -2.814 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.873 -2.374 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.099 -2.297 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.289 -3.086 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.541 -4.000 2.593 1.00 0.00 H new ATOM 84 N PHE A 7 -12.405 -5.997 -0.159 1.00 0.00 N ATOM 85 CA PHE A 7 -11.152 -6.239 -0.851 1.00 0.00 C ATOM 86 C PHE A 7 -11.066 -7.635 -1.479 1.00 0.00 C ATOM 87 O PHE A 7 -10.135 -7.903 -2.248 1.00 0.00 O ATOM 88 CB PHE A 7 -10.021 -6.009 0.158 1.00 0.00 C ATOM 89 CG PHE A 7 -9.930 -4.592 0.706 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.909 -3.480 -0.166 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.836 -4.380 2.096 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.768 -2.178 0.343 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.675 -3.079 2.604 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.632 -1.983 1.724 1.00 0.00 C ATOM 0 H PHE A 7 -12.388 -6.276 0.822 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.072 -5.550 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.152 -6.698 0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.073 -6.261 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.002 -3.632 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.888 -5.220 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.764 -1.331 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.584 -2.922 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.493 -0.986 2.115 1.00 0.00 H new ATOM 104 N ALA A 8 -12.017 -8.521 -1.176 1.00 0.00 N ATOM 105 CA ALA A 8 -11.982 -9.938 -1.500 1.00 0.00 C ATOM 106 C ALA A 8 -11.964 -10.174 -3.007 1.00 0.00 C ATOM 107 O ALA A 8 -11.168 -10.966 -3.510 1.00 0.00 O ATOM 108 CB ALA A 8 -13.211 -10.601 -0.880 1.00 0.00 C ATOM 0 H ALA A 8 -12.866 -8.254 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.066 -10.371 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.205 -11.666 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.192 -10.464 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.114 -10.146 -1.287 1.00 0.00 H new ATOM 114 N GLU A 9 -12.827 -9.465 -3.731 1.00 0.00 N ATOM 115 CA GLU A 9 -12.985 -9.574 -5.175 1.00 0.00 C ATOM 116 C GLU A 9 -11.683 -9.284 -5.926 1.00 0.00 C ATOM 117 O GLU A 9 -11.464 -9.815 -7.018 1.00 0.00 O ATOM 118 CB GLU A 9 -14.052 -8.548 -5.588 1.00 0.00 C ATOM 119 CG GLU A 9 -15.488 -9.028 -5.324 1.00 0.00 C ATOM 120 CD GLU A 9 -16.521 -7.974 -5.754 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.519 -6.859 -5.196 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.360 -8.233 -6.658 1.00 0.00 O ATOM 0 H GLU A 9 -13.454 -8.778 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.275 -10.594 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.881 -7.618 -5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.940 -8.324 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.668 -9.957 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.610 -9.248 -4.263 1.00 0.00 H new ATOM 129 N TYR A 10 -10.804 -8.477 -5.329 1.00 0.00 N ATOM 130 CA TYR A 10 -9.504 -8.153 -5.885 1.00 0.00 C ATOM 131 C TYR A 10 -8.548 -9.319 -5.666 1.00 0.00 C ATOM 132 O TYR A 10 -7.935 -9.779 -6.616 1.00 0.00 O ATOM 133 CB TYR A 10 -8.964 -6.915 -5.193 1.00 0.00 C ATOM 134 CG TYR A 10 -7.690 -6.355 -5.786 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.716 -5.774 -7.067 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.488 -6.388 -5.049 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.551 -5.218 -7.615 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.322 -5.823 -5.590 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.353 -5.239 -6.874 1.00 0.00 C ATOM 140 OH TYR A 10 -4.224 -4.690 -7.379 1.00 0.00 O ATOM 0 H TYR A 10 -10.985 -8.027 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.599 -7.965 -6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.730 -6.140 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.785 -7.152 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.637 -5.756 -7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.464 -6.846 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.572 -4.776 -8.600 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.402 -5.835 -5.024 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.880 -5.256 -8.102 1.00 0.00 H new ATOM 150 N LEU A 11 -8.448 -9.824 -4.429 1.00 0.00 N ATOM 151 CA LEU A 11 -7.627 -10.981 -4.067 1.00 0.00 C ATOM 152 C LEU A 11 -7.952 -12.154 -4.985 1.00 0.00 C ATOM 153 O LEU A 11 -7.058 -12.735 -5.595 1.00 0.00 O ATOM 154 CB LEU A 11 -7.867 -11.341 -2.585 1.00 0.00 C ATOM 155 CG LEU A 11 -6.838 -10.801 -1.568 1.00 0.00 C ATOM 156 CD1 LEU A 11 -6.276 -9.405 -1.854 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.486 -10.800 -0.179 1.00 0.00 C ATOM 0 H LEU A 11 -8.950 -9.427 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.571 -10.740 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.853 -10.973 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.894 -12.427 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.980 -11.469 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.565 -9.132 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.772 -9.407 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.091 -8.681 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.774 -10.421 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.369 -10.162 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.776 -11.816 0.088 1.00 0.00 H new ATOM 169 N LYS A 12 -9.236 -12.462 -5.124 1.00 0.00 N ATOM 170 CA LYS A 12 -9.736 -13.478 -6.042 1.00 0.00 C ATOM 171 C LYS A 12 -9.327 -13.156 -7.478 1.00 0.00 C ATOM 172 O LYS A 12 -8.925 -14.042 -8.229 1.00 0.00 O ATOM 173 CB LYS A 12 -11.262 -13.521 -5.924 1.00 0.00 C ATOM 174 CG LYS A 12 -11.719 -14.045 -4.557 1.00 0.00 C ATOM 175 CD LYS A 12 -13.200 -13.777 -4.300 1.00 0.00 C ATOM 176 CE LYS A 12 -14.064 -14.495 -5.340 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.490 -14.221 -5.113 1.00 0.00 N ATOM 0 H LYS A 12 -9.974 -12.003 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.311 -14.448 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.666 -12.521 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.668 -14.157 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.531 -15.117 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.125 -13.575 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.468 -14.116 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.393 -12.705 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.781 -14.170 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.883 -15.569 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.057 -14.718 -5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.761 -14.553 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.662 -13.198 -5.183 1.00 0.00 H new ATOM 191 N GLY A 13 -9.441 -11.887 -7.859 1.00 0.00 N ATOM 192 CA GLY A 13 -9.168 -11.399 -9.193 1.00 0.00 C ATOM 193 C GLY A 13 -7.701 -11.504 -9.611 1.00 0.00 C ATOM 194 O GLY A 13 -7.457 -11.772 -10.792 1.00 0.00 O ATOM 0 H GLY A 13 -9.737 -11.150 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.777 -11.957 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.479 -10.356 -9.257 1.00 0.00 H new ATOM 198 N ILE A 14 -6.743 -11.302 -8.691 1.00 0.00 N ATOM 199 CA ILE A 14 -5.309 -11.467 -8.911 1.00 0.00 C ATOM 200 C ILE A 14 -5.101 -12.880 -9.442 1.00 0.00 C ATOM 201 O ILE A 14 -5.231 -13.869 -8.722 1.00 0.00 O ATOM 202 CB ILE A 14 -4.489 -11.208 -7.621 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.615 -9.744 -7.149 1.00 0.00 C ATOM 204 CG2 ILE A 14 -2.999 -11.542 -7.856 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.127 -9.479 -5.719 1.00 0.00 C ATOM 0 H ILE A 14 -6.962 -11.008 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.949 -10.732 -9.631 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.894 -11.856 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.052 -9.108 -7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.660 -9.443 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.436 -11.355 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.901 -12.591 -8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.608 -10.915 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.256 -8.423 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.705 -10.083 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.072 -9.742 -5.640 1.00 0.00 H new ATOM 217 N ASP A 15 -4.763 -12.972 -10.721 1.00 0.00 N ATOM 218 CA ASP A 15 -4.696 -14.218 -11.482 1.00 0.00 C ATOM 219 C ASP A 15 -3.485 -15.072 -11.106 1.00 0.00 C ATOM 220 O ASP A 15 -3.277 -16.157 -11.649 1.00 0.00 O ATOM 221 CB ASP A 15 -4.605 -13.835 -12.960 1.00 0.00 C ATOM 222 CG ASP A 15 -5.286 -14.804 -13.918 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.951 -15.772 -13.496 1.00 0.00 O ATOM 224 OD2 ASP A 15 -5.277 -14.489 -15.132 1.00 0.00 O ATOM 0 H ASP A 15 -4.519 -12.154 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.581 -14.816 -11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.046 -12.847 -13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.553 -13.754 -13.235 1.00 0.00 H new ATOM 229 N HIS A 16 -2.648 -14.539 -10.217 1.00 0.00 N ATOM 230 CA HIS A 16 -1.344 -15.034 -9.832 1.00 0.00 C ATOM 231 C HIS A 16 -1.346 -15.303 -8.317 1.00 0.00 C ATOM 232 O HIS A 16 -0.790 -14.513 -7.543 1.00 0.00 O ATOM 233 CB HIS A 16 -0.274 -14.045 -10.351 1.00 0.00 C ATOM 234 CG HIS A 16 0.540 -14.625 -11.481 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.909 -14.551 -11.622 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.059 -15.402 -12.499 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.247 -15.312 -12.676 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.155 -15.868 -13.227 1.00 0.00 N ATOM 0 H HIS A 16 -2.890 -13.685 -9.714 1.00 0.00 H new ATOM 0 HA HIS A 16 -1.094 -15.992 -10.287 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.761 -13.130 -10.689 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.390 -13.769 -9.532 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.980 -15.616 -12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.257 -15.457 -13.031 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.131 -16.506 -14.022 1.00 0.00 H new ATOM 246 N PRO A 17 -1.974 -16.410 -7.868 1.00 0.00 N ATOM 247 CA PRO A 17 -2.142 -16.717 -6.452 1.00 0.00 C ATOM 248 C PRO A 17 -0.822 -16.897 -5.711 1.00 0.00 C ATOM 249 O PRO A 17 -0.792 -16.715 -4.496 1.00 0.00 O ATOM 250 CB PRO A 17 -2.970 -18.001 -6.395 1.00 0.00 C ATOM 251 CG PRO A 17 -2.736 -18.662 -7.749 1.00 0.00 C ATOM 252 CD PRO A 17 -2.571 -17.466 -8.678 1.00 0.00 C ATOM 0 HA PRO A 17 -2.633 -15.882 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.648 -18.646 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.027 -17.786 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.849 -19.296 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.576 -19.291 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.933 -17.715 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.532 -17.151 -9.084 1.00 0.00 H new ATOM 260 N ASP A 18 0.271 -17.199 -6.416 1.00 0.00 N ATOM 261 CA ASP A 18 1.576 -17.349 -5.776 1.00 0.00 C ATOM 262 C ASP A 18 2.052 -16.042 -5.151 1.00 0.00 C ATOM 263 O ASP A 18 2.936 -16.071 -4.298 1.00 0.00 O ATOM 264 CB ASP A 18 2.653 -17.768 -6.778 1.00 0.00 C ATOM 265 CG ASP A 18 2.613 -19.230 -7.167 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.194 -20.050 -6.416 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.131 -19.513 -8.288 1.00 0.00 O ATOM 0 H ASP A 18 0.277 -17.344 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 18 1.438 -18.115 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.549 -17.162 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.632 -17.544 -6.355 1.00 0.00 H new ATOM 272 N HIS A 19 1.495 -14.909 -5.584 1.00 0.00 N ATOM 273 CA HIS A 19 1.956 -13.562 -5.261 1.00 0.00 C ATOM 274 C HIS A 19 0.818 -12.751 -4.625 1.00 0.00 C ATOM 275 O HIS A 19 1.071 -11.839 -3.839 1.00 0.00 O ATOM 276 CB HIS A 19 2.522 -12.882 -6.525 1.00 0.00 C ATOM 277 CG HIS A 19 3.239 -13.812 -7.485 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.618 -14.589 -8.436 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.572 -14.130 -7.499 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.546 -15.372 -9.002 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.763 -15.120 -8.485 1.00 0.00 N ATOM 0 H HIS A 19 0.677 -14.908 -6.194 1.00 0.00 H new ATOM 0 HA HIS A 19 2.762 -13.616 -4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.703 -12.397 -7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.213 -12.097 -6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.337 -13.700 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.345 -16.106 -9.769 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.645 -15.557 -8.752 1.00 0.00 H new ATOM 289 N ARG A 20 -0.447 -13.121 -4.892 1.00 0.00 N ATOM 290 CA ARG A 20 -1.631 -12.545 -4.245 1.00 0.00 C ATOM 291 C ARG A 20 -1.446 -12.521 -2.735 1.00 0.00 C ATOM 292 O ARG A 20 -1.721 -11.498 -2.117 1.00 0.00 O ATOM 293 CB ARG A 20 -2.887 -13.359 -4.589 1.00 0.00 C ATOM 294 CG ARG A 20 -4.157 -12.751 -3.956 1.00 0.00 C ATOM 295 CD ARG A 20 -4.990 -13.788 -3.211 1.00 0.00 C ATOM 296 NE ARG A 20 -5.630 -14.727 -4.136 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.216 -15.878 -3.807 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.203 -16.304 -2.550 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.832 -16.574 -4.748 1.00 0.00 N ATOM 0 H ARG A 20 -0.675 -13.842 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.755 -11.526 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.006 -13.403 -5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.762 -14.384 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.871 -11.956 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.765 -12.293 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.354 -14.336 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.752 -13.285 -2.616 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.627 -14.476 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.742 -15.749 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.654 -17.186 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.853 -16.228 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.286 -17.457 -4.515 1.00 0.00 H new ATOM 313 N ASP A 21 -0.968 -13.623 -2.170 1.00 0.00 N ATOM 314 CA ASP A 21 -0.715 -13.812 -0.742 1.00 0.00 C ATOM 315 C ASP A 21 0.087 -12.666 -0.107 1.00 0.00 C ATOM 316 O ASP A 21 -0.179 -12.308 1.035 1.00 0.00 O ATOM 317 CB ASP A 21 0.015 -15.153 -0.536 1.00 0.00 C ATOM 318 CG ASP A 21 -0.614 -16.011 0.560 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.725 -16.532 0.313 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.047 -16.263 1.595 1.00 0.00 O ATOM 0 H ASP A 21 -0.734 -14.450 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.681 -13.818 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.012 -15.710 -1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.058 -14.958 -0.284 1.00 0.00 H new ATOM 325 N ARG A 22 1.012 -12.008 -0.827 1.00 0.00 N ATOM 326 CA ARG A 22 1.742 -10.851 -0.273 1.00 0.00 C ATOM 327 C ARG A 22 0.831 -9.644 -0.041 1.00 0.00 C ATOM 328 O ARG A 22 1.238 -8.664 0.572 1.00 0.00 O ATOM 329 CB ARG A 22 2.885 -10.399 -1.205 1.00 0.00 C ATOM 330 CG ARG A 22 3.998 -11.409 -1.510 1.00 0.00 C ATOM 331 CD ARG A 22 4.593 -12.065 -0.256 1.00 0.00 C ATOM 332 NE ARG A 22 3.892 -13.320 0.037 1.00 0.00 N ATOM 333 CZ ARG A 22 3.928 -14.043 1.156 1.00 0.00 C ATOM 334 NH1 ARG A 22 4.553 -13.615 2.248 1.00 0.00 N ATOM 335 NH2 ARG A 22 3.327 -15.221 1.143 1.00 0.00 N ATOM 0 H ARG A 22 1.271 -12.252 -1.783 1.00 0.00 H new ATOM 0 HA ARG A 22 2.144 -11.194 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.443 -10.091 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.346 -9.514 -0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.603 -12.186 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.794 -10.905 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.655 -12.259 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.510 -11.386 0.593 1.00 0.00 H new ATOM 0 HE ARG A 22 3.302 -13.686 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.023 -12.710 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.563 -14.192 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.859 -15.545 0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.332 -15.805 1.979 1.00 0.00 H new ATOM 349 N THR A 23 -0.369 -9.643 -0.601 1.00 0.00 N ATOM 350 CA THR A 23 -1.248 -8.484 -0.677 1.00 0.00 C ATOM 351 C THR A 23 -2.324 -8.580 0.401 1.00 0.00 C ATOM 352 O THR A 23 -2.677 -7.563 0.996 1.00 0.00 O ATOM 353 CB THR A 23 -1.815 -8.382 -2.107 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.779 -8.616 -3.048 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.413 -7.007 -2.401 1.00 0.00 C ATOM 0 H THR A 23 -0.772 -10.476 -1.030 1.00 0.00 H new ATOM 0 HA THR A 23 -0.702 -7.562 -0.480 1.00 0.00 H new ATOM 0 HB THR A 23 -2.604 -9.129 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.166 -8.711 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.798 -6.988 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.225 -6.807 -1.702 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.643 -6.244 -2.290 1.00 0.00 H new ATOM 363 N GLU A 24 -2.810 -9.786 0.709 1.00 0.00 N ATOM 364 CA GLU A 24 -3.723 -9.997 1.830 1.00 0.00 C ATOM 365 C GLU A 24 -3.005 -9.825 3.177 1.00 0.00 C ATOM 366 O GLU A 24 -3.629 -9.412 4.154 1.00 0.00 O ATOM 367 CB GLU A 24 -4.432 -11.347 1.679 1.00 0.00 C ATOM 368 CG GLU A 24 -3.526 -12.570 1.600 1.00 0.00 C ATOM 369 CD GLU A 24 -3.843 -13.605 2.679 1.00 0.00 C ATOM 370 OE1 GLU A 24 -3.571 -13.333 3.870 1.00 0.00 O ATOM 371 OE2 GLU A 24 -4.406 -14.670 2.319 1.00 0.00 O ATOM 0 H GLU A 24 -2.583 -10.635 0.192 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.497 -9.229 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.110 -11.475 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.045 -11.315 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.629 -13.031 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.487 -12.255 1.697 1.00 0.00 H new ATOM 378 N GLU A 25 -1.689 -10.055 3.203 1.00 0.00 N ATOM 379 CA GLU A 25 -0.787 -9.722 4.306 1.00 0.00 C ATOM 380 C GLU A 25 -0.887 -8.233 4.637 1.00 0.00 C ATOM 381 O GLU A 25 -1.276 -7.862 5.745 1.00 0.00 O ATOM 382 CB GLU A 25 0.649 -10.062 3.908 1.00 0.00 C ATOM 383 CG GLU A 25 0.926 -11.558 3.997 1.00 0.00 C ATOM 384 CD GLU A 25 1.602 -11.973 5.305 1.00 0.00 C ATOM 385 OE1 GLU A 25 1.269 -11.406 6.378 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.485 -12.862 5.264 1.00 0.00 O ATOM 0 H GLU A 25 -1.204 -10.497 2.422 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.071 -10.300 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.834 -9.719 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.342 -9.526 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.014 -12.101 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.558 -11.854 3.160 1.00 0.00 H new ATOM 393 N ILE A 26 -0.523 -7.395 3.662 1.00 0.00 N ATOM 394 CA ILE A 26 -0.603 -5.939 3.751 1.00 0.00 C ATOM 395 C ILE A 26 -2.020 -5.449 4.046 1.00 0.00 C ATOM 396 O ILE A 26 -2.175 -4.522 4.837 1.00 0.00 O ATOM 397 CB ILE A 26 0.003 -5.278 2.492 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.546 -5.316 2.538 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.481 -3.832 2.306 1.00 0.00 C ATOM 400 CD1 ILE A 26 2.177 -5.370 1.144 1.00 0.00 C ATOM 0 H ILE A 26 -0.156 -7.721 2.768 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.002 -5.628 4.605 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.343 -5.857 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.912 -4.434 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.867 -6.185 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.029 -3.409 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.566 -3.822 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.192 -3.237 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.263 -5.395 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.836 -6.266 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.882 -4.487 0.577 1.00 0.00 H new ATOM 412 N LEU A 27 -3.049 -6.008 3.408 1.00 0.00 N ATOM 413 CA LEU A 27 -4.415 -5.536 3.605 1.00 0.00 C ATOM 414 C LEU A 27 -4.795 -5.633 5.084 1.00 0.00 C ATOM 415 O LEU A 27 -5.265 -4.643 5.642 1.00 0.00 O ATOM 416 CB LEU A 27 -5.393 -6.333 2.738 1.00 0.00 C ATOM 417 CG LEU A 27 -5.569 -5.864 1.287 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.453 -6.887 0.573 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.218 -4.484 1.178 1.00 0.00 C ATOM 0 H LEU A 27 -2.961 -6.785 2.753 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.472 -4.491 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.064 -7.372 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.369 -6.315 3.222 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.581 -5.784 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.598 -6.582 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.972 -7.865 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.420 -6.944 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.315 -4.209 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.205 -4.509 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.597 -3.749 1.690 1.00 0.00 H new ATOM 431 N SER A 28 -4.573 -6.784 5.727 1.00 0.00 N ATOM 432 CA SER A 28 -4.816 -6.925 7.148 1.00 0.00 C ATOM 433 C SER A 28 -3.876 -6.052 7.984 1.00 0.00 C ATOM 434 O SER A 28 -4.338 -5.480 8.968 1.00 0.00 O ATOM 435 CB SER A 28 -4.708 -8.399 7.519 1.00 0.00 C ATOM 436 OG SER A 28 -5.876 -9.082 7.094 1.00 0.00 O ATOM 0 H SER A 28 -4.224 -7.629 5.275 1.00 0.00 H new ATOM 0 HA SER A 28 -5.822 -6.571 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.827 -8.839 7.052 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.584 -8.505 8.597 1.00 0.00 H new ATOM 0 HG SER A 28 -5.805 -10.030 7.331 1.00 0.00 H new ATOM 442 N TRP A 29 -2.610 -5.889 7.584 1.00 0.00 N ATOM 443 CA TRP A 29 -1.650 -5.031 8.271 1.00 0.00 C ATOM 444 C TRP A 29 -2.161 -3.591 8.353 1.00 0.00 C ATOM 445 O TRP A 29 -2.242 -3.012 9.436 1.00 0.00 O ATOM 446 CB TRP A 29 -0.290 -5.098 7.563 1.00 0.00 C ATOM 447 CG TRP A 29 0.795 -4.306 8.214 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.465 -4.695 9.314 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.378 -3.025 7.835 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.356 -3.722 9.700 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.371 -2.681 8.802 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.234 -2.159 6.730 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.162 -1.534 8.691 1.00 0.00 C ATOM 454 CZ3 TRP A 29 2.051 -1.020 6.583 1.00 0.00 C ATOM 455 CH2 TRP A 29 3.016 -0.716 7.561 1.00 0.00 C ATOM 0 H TRP A 29 -2.223 -6.356 6.764 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.527 -5.391 9.293 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.024 -6.140 7.507 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.412 -4.747 6.538 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.323 -5.638 9.822 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.930 -3.766 10.542 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.484 -2.373 5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.874 -1.282 9.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.936 -0.381 5.720 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.648 0.152 7.441 1.00 0.00 H new ATOM 466 N VAL A 30 -2.536 -2.993 7.219 1.00 0.00 N ATOM 467 CA VAL A 30 -3.047 -1.626 7.184 1.00 0.00 C ATOM 468 C VAL A 30 -4.352 -1.542 7.983 1.00 0.00 C ATOM 469 O VAL A 30 -4.540 -0.601 8.758 1.00 0.00 O ATOM 470 CB VAL A 30 -3.194 -1.151 5.722 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.871 0.225 5.625 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.827 -1.076 5.025 1.00 0.00 C ATOM 0 H VAL A 30 -2.493 -3.443 6.305 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.340 -0.946 7.659 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.824 -1.888 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.953 0.517 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.867 0.173 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.275 0.963 6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.961 -0.739 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.185 -0.373 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.364 -2.063 5.026 1.00 0.00 H new ATOM 482 N ALA A 31 -5.230 -2.538 7.844 1.00 0.00 N ATOM 483 CA ALA A 31 -6.478 -2.648 8.587 1.00 0.00 C ATOM 484 C ALA A 31 -6.286 -3.009 10.067 1.00 0.00 C ATOM 485 O ALA A 31 -7.283 -3.231 10.763 1.00 0.00 O ATOM 486 CB ALA A 31 -7.364 -3.667 7.880 1.00 0.00 C ATOM 0 H ALA A 31 -5.084 -3.309 7.192 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.953 -1.667 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.306 -3.766 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.562 -3.332 6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.858 -4.632 7.853 1.00 0.00 H new ATOM 492 N ALA A 32 -5.048 -3.085 10.555 1.00 0.00 N ATOM 493 CA ALA A 32 -4.700 -3.299 11.948 1.00 0.00 C ATOM 494 C ALA A 32 -3.905 -2.114 12.487 1.00 0.00 C ATOM 495 O ALA A 32 -4.399 -1.442 13.387 1.00 0.00 O ATOM 496 CB ALA A 32 -3.983 -4.637 12.126 1.00 0.00 C ATOM 0 H ALA A 32 -4.227 -2.994 9.957 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.611 -3.358 12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.731 -4.778 13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.636 -5.446 11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.070 -4.643 11.530 1.00 0.00 H new ATOM 502 N THR A 33 -2.713 -1.821 11.955 1.00 0.00 N ATOM 503 CA THR A 33 -1.908 -0.714 12.468 1.00 0.00 C ATOM 504 C THR A 33 -2.605 0.640 12.270 1.00 0.00 C ATOM 505 O THR A 33 -2.425 1.519 13.114 1.00 0.00 O ATOM 506 CB THR A 33 -0.508 -0.675 11.833 1.00 0.00 C ATOM 507 OG1 THR A 33 0.189 -1.908 11.865 1.00 0.00 O ATOM 508 CG2 THR A 33 0.442 0.231 12.624 1.00 0.00 C ATOM 0 H THR A 33 -2.291 -2.330 11.179 1.00 0.00 H new ATOM 0 HA THR A 33 -1.795 -0.893 13.537 1.00 0.00 H new ATOM 0 HB THR A 33 -0.723 -0.349 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.066 -1.799 11.442 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.422 0.235 12.147 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.044 1.246 12.645 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.536 -0.142 13.644 1.00 0.00 H new ATOM 516 N PHE A 34 -3.404 0.829 11.204 1.00 0.00 N ATOM 517 CA PHE A 34 -3.969 2.139 10.877 1.00 0.00 C ATOM 518 C PHE A 34 -5.512 2.078 10.843 1.00 0.00 C ATOM 519 O PHE A 34 -6.123 2.256 9.787 1.00 0.00 O ATOM 520 CB PHE A 34 -3.332 2.716 9.597 1.00 0.00 C ATOM 521 CG PHE A 34 -1.847 2.419 9.427 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.880 2.886 10.342 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.438 1.575 8.379 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.447 2.434 10.239 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.107 1.147 8.272 1.00 0.00 C ATOM 526 CZ PHE A 34 0.840 1.555 9.220 1.00 0.00 C ATOM 0 H PHE A 34 -3.670 0.086 10.557 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.717 2.845 11.669 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.867 2.322 8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.474 3.797 9.594 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.157 3.586 11.116 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.161 1.251 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.178 2.770 10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.188 0.502 7.458 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.858 1.198 9.167 1.00 0.00 H new ATOM 536 N PRO A 35 -6.180 1.836 11.987 1.00 0.00 N ATOM 537 CA PRO A 35 -7.630 1.622 12.067 1.00 0.00 C ATOM 538 C PRO A 35 -8.429 2.929 11.911 1.00 0.00 C ATOM 539 O PRO A 35 -9.650 2.918 11.751 1.00 0.00 O ATOM 540 CB PRO A 35 -7.852 1.014 13.451 1.00 0.00 C ATOM 541 CG PRO A 35 -6.768 1.694 14.277 1.00 0.00 C ATOM 542 CD PRO A 35 -5.602 1.781 13.316 1.00 0.00 C ATOM 0 HA PRO A 35 -7.979 0.979 11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.850 1.227 13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.738 -0.070 13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.082 2.680 14.619 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.515 1.114 15.165 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.998 2.666 13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.946 0.917 13.420 1.00 0.00 H new ATOM 550 N ASN A 36 -7.758 4.077 11.951 1.00 0.00 N ATOM 551 CA ASN A 36 -8.227 5.371 11.516 1.00 0.00 C ATOM 552 C ASN A 36 -8.628 5.417 10.041 1.00 0.00 C ATOM 553 O ASN A 36 -9.401 6.299 9.658 1.00 0.00 O ATOM 554 CB ASN A 36 -7.116 6.370 11.850 1.00 0.00 C ATOM 555 CG ASN A 36 -6.042 6.400 10.776 1.00 0.00 C ATOM 556 OD1 ASN A 36 -6.177 7.003 9.723 1.00 0.00 O ATOM 557 ND2 ASN A 36 -4.916 5.772 11.060 1.00 0.00 N ATOM 0 H ASN A 36 -6.806 4.120 12.315 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.151 5.622 12.037 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.545 7.366 11.963 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.666 6.106 12.807 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.143 5.786 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.819 5.273 11.944 1.00 0.00 H new ATOM 564 N LEU A 37 -8.117 4.493 9.224 1.00 0.00 N ATOM 565 CA LEU A 37 -8.501 4.360 7.834 1.00 0.00 C ATOM 566 C LEU A 37 -9.693 3.407 7.750 1.00 0.00 C ATOM 567 O LEU A 37 -9.898 2.571 8.631 1.00 0.00 O ATOM 568 CB LEU A 37 -7.340 3.795 7.010 1.00 0.00 C ATOM 569 CG LEU A 37 -5.972 4.484 7.148 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.904 3.675 6.408 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.015 5.903 6.590 1.00 0.00 C ATOM 0 H LEU A 37 -7.418 3.813 9.521 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.766 5.339 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.217 2.745 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.627 3.825 5.959 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.724 4.536 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.938 4.169 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.846 2.673 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.166 3.606 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.035 6.367 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.285 5.871 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.756 6.486 7.136 1.00 0.00 H new ATOM 583 N GLU A 38 -10.439 3.449 6.653 1.00 0.00 N ATOM 584 CA GLU A 38 -11.633 2.662 6.380 1.00 0.00 C ATOM 585 C GLU A 38 -11.548 2.111 4.950 1.00 0.00 C ATOM 586 O GLU A 38 -10.971 2.771 4.084 1.00 0.00 O ATOM 587 CB GLU A 38 -12.839 3.599 6.465 1.00 0.00 C ATOM 588 CG GLU A 38 -13.173 4.058 7.886 1.00 0.00 C ATOM 589 CD GLU A 38 -14.009 3.026 8.649 1.00 0.00 C ATOM 590 OE1 GLU A 38 -15.097 2.659 8.151 1.00 0.00 O ATOM 591 OE2 GLU A 38 -13.590 2.595 9.748 1.00 0.00 O ATOM 0 H GLU A 38 -10.210 4.075 5.881 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.723 1.841 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.649 4.476 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.708 3.094 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.248 4.248 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.716 5.002 7.842 1.00 0.00 H new ATOM 598 N PRO A 39 -12.130 0.938 4.661 1.00 0.00 N ATOM 599 CA PRO A 39 -11.986 0.281 3.365 1.00 0.00 C ATOM 600 C PRO A 39 -12.697 1.048 2.245 1.00 0.00 C ATOM 601 O PRO A 39 -13.762 1.638 2.472 1.00 0.00 O ATOM 602 CB PRO A 39 -12.591 -1.116 3.557 1.00 0.00 C ATOM 603 CG PRO A 39 -13.602 -0.910 4.687 1.00 0.00 C ATOM 604 CD PRO A 39 -12.913 0.122 5.573 1.00 0.00 C ATOM 0 HA PRO A 39 -10.941 0.237 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.072 -1.474 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.831 -1.850 3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.559 -0.547 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.801 -1.837 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.641 0.725 6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.278 -0.358 6.317 1.00 0.00 H new ATOM 612 N GLN A 40 -12.133 1.014 1.034 1.00 0.00 N ATOM 613 CA GLN A 40 -12.698 1.602 -0.163 1.00 0.00 C ATOM 614 C GLN A 40 -12.077 0.901 -1.382 1.00 0.00 C ATOM 615 O GLN A 40 -10.859 0.944 -1.569 1.00 0.00 O ATOM 616 CB GLN A 40 -12.407 3.112 -0.111 1.00 0.00 C ATOM 617 CG GLN A 40 -12.863 3.838 -1.380 1.00 0.00 C ATOM 618 CD GLN A 40 -12.805 5.369 -1.314 1.00 0.00 C ATOM 619 OE1 GLN A 40 -12.665 6.041 -2.331 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.886 5.999 -0.151 1.00 0.00 N ATOM 0 H GLN A 40 -11.237 0.557 0.865 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.778 1.471 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.909 3.547 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.338 3.269 0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.245 3.503 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.887 3.539 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.003 5.466 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.832 7.017 -0.118 1.00 0.00 H new ATOM 629 N MET A 41 -12.887 0.248 -2.217 1.00 0.00 N ATOM 630 CA MET A 41 -12.463 -0.223 -3.535 1.00 0.00 C ATOM 631 C MET A 41 -12.605 0.951 -4.516 1.00 0.00 C ATOM 632 O MET A 41 -13.709 1.479 -4.693 1.00 0.00 O ATOM 633 CB MET A 41 -13.324 -1.430 -3.945 1.00 0.00 C ATOM 634 CG MET A 41 -12.946 -2.019 -5.312 1.00 0.00 C ATOM 635 SD MET A 41 -12.083 -3.619 -5.311 1.00 0.00 S ATOM 636 CE MET A 41 -10.398 -3.113 -4.896 1.00 0.00 C ATOM 0 H MET A 41 -13.859 0.031 -1.997 1.00 0.00 H new ATOM 0 HA MET A 41 -11.425 -0.555 -3.531 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.231 -2.207 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.371 -1.128 -3.966 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.858 -2.127 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.317 -1.295 -5.831 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.708 -3.495 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.341 -2.025 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.128 -3.514 -3.919 1.00 0.00 H new ATOM 646 N LYS A 42 -11.506 1.394 -5.139 1.00 0.00 N ATOM 647 CA LYS A 42 -11.512 2.546 -6.044 1.00 0.00 C ATOM 648 C LYS A 42 -10.591 2.285 -7.219 1.00 0.00 C ATOM 649 O LYS A 42 -9.477 1.811 -7.006 1.00 0.00 O ATOM 650 CB LYS A 42 -11.073 3.796 -5.274 1.00 0.00 C ATOM 651 CG LYS A 42 -11.754 5.080 -5.755 1.00 0.00 C ATOM 652 CD LYS A 42 -13.234 5.131 -5.351 1.00 0.00 C ATOM 653 CE LYS A 42 -13.871 6.484 -5.682 1.00 0.00 C ATOM 654 NZ LYS A 42 -13.612 7.507 -4.647 1.00 0.00 N ATOM 0 H LYS A 42 -10.588 0.963 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.519 2.706 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.288 3.655 -4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.993 3.910 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.235 5.944 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.671 5.150 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.778 4.338 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.325 4.939 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.487 6.837 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.947 6.355 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.489 8.031 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.282 7.044 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.883 8.167 -4.986 1.00 0.00 H new ATOM 668 N TRP A 43 -11.004 2.608 -8.445 1.00 0.00 N ATOM 669 CA TRP A 43 -10.204 2.390 -9.658 1.00 0.00 C ATOM 670 C TRP A 43 -9.771 0.922 -9.849 1.00 0.00 C ATOM 671 O TRP A 43 -8.768 0.638 -10.505 1.00 0.00 O ATOM 672 CB TRP A 43 -9.025 3.383 -9.691 1.00 0.00 C ATOM 673 CG TRP A 43 -9.262 4.622 -10.486 1.00 0.00 C ATOM 674 CD1 TRP A 43 -9.978 5.693 -10.087 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.779 4.934 -11.823 1.00 0.00 C ATOM 676 NE1 TRP A 43 -9.960 6.654 -11.075 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.209 6.250 -12.159 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.012 4.242 -12.786 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.869 6.849 -13.381 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.676 4.836 -14.018 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.097 6.141 -14.317 1.00 0.00 C ATOM 0 H TRP A 43 -11.913 3.033 -8.629 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.839 2.592 -10.521 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.782 3.668 -8.667 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.151 2.872 -10.096 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.487 5.784 -9.139 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.441 7.551 -11.012 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.677 3.238 -12.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.200 7.853 -13.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.090 4.283 -14.738 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.830 6.597 -15.259 1.00 0.00 H new ATOM 692 N ASN A 44 -10.510 -0.023 -9.261 1.00 0.00 N ATOM 693 CA ASN A 44 -10.202 -1.457 -9.169 1.00 0.00 C ATOM 694 C ASN A 44 -9.027 -1.755 -8.236 1.00 0.00 C ATOM 695 O ASN A 44 -8.549 -2.884 -8.177 1.00 0.00 O ATOM 696 CB ASN A 44 -9.969 -2.072 -10.560 1.00 0.00 C ATOM 697 CG ASN A 44 -10.209 -3.576 -10.635 1.00 0.00 C ATOM 698 OD1 ASN A 44 -10.733 -4.215 -9.725 1.00 0.00 O ATOM 699 ND2 ASN A 44 -9.880 -4.180 -11.765 1.00 0.00 N ATOM 0 H ASN A 44 -11.395 0.205 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.080 -1.929 -8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.624 -1.576 -11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.944 -1.865 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.061 -5.177 -11.882 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.445 -3.649 -12.519 1.00 0.00 H new ATOM 706 N THR A 45 -8.559 -0.762 -7.486 1.00 0.00 N ATOM 707 CA THR A 45 -7.433 -0.858 -6.574 1.00 0.00 C ATOM 708 C THR A 45 -7.938 -0.728 -5.135 1.00 0.00 C ATOM 709 O THR A 45 -8.893 0.009 -4.863 1.00 0.00 O ATOM 710 CB THR A 45 -6.373 0.206 -6.933 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.835 1.533 -6.748 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.915 0.087 -8.394 1.00 0.00 C ATOM 0 H THR A 45 -8.974 0.169 -7.501 1.00 0.00 H new ATOM 0 HA THR A 45 -6.948 -1.830 -6.666 1.00 0.00 H new ATOM 0 HB THR A 45 -5.546 0.009 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.757 1.607 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.170 0.854 -8.605 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.479 -0.898 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.771 0.221 -9.056 1.00 0.00 H new ATOM 720 N PRO A 46 -7.335 -1.459 -4.196 1.00 0.00 N ATOM 721 CA PRO A 46 -7.578 -1.252 -2.785 1.00 0.00 C ATOM 722 C PRO A 46 -6.977 0.065 -2.293 1.00 0.00 C ATOM 723 O PRO A 46 -5.770 0.305 -2.416 1.00 0.00 O ATOM 724 CB PRO A 46 -6.962 -2.462 -2.105 1.00 0.00 C ATOM 725 CG PRO A 46 -5.943 -3.022 -3.090 1.00 0.00 C ATOM 726 CD PRO A 46 -6.522 -2.643 -4.434 1.00 0.00 C ATOM 0 HA PRO A 46 -8.641 -1.166 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.484 -2.181 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.723 -3.205 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.955 -2.587 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.834 -4.102 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.732 -2.436 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.123 -3.455 -4.844 1.00 0.00 H new ATOM 734 N MET A 47 -7.811 0.892 -1.668 1.00 0.00 N ATOM 735 CA MET A 47 -7.398 2.087 -0.945 1.00 0.00 C ATOM 736 C MET A 47 -8.101 2.112 0.414 1.00 0.00 C ATOM 737 O MET A 47 -8.971 1.280 0.688 1.00 0.00 O ATOM 738 CB MET A 47 -7.636 3.350 -1.785 1.00 0.00 C ATOM 739 CG MET A 47 -9.072 3.522 -2.276 1.00 0.00 C ATOM 740 SD MET A 47 -9.484 5.227 -2.734 1.00 0.00 S ATOM 741 CE MET A 47 -9.639 5.966 -1.092 1.00 0.00 C ATOM 0 H MET A 47 -8.820 0.743 -1.651 1.00 0.00 H new ATOM 0 HA MET A 47 -6.324 2.065 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.361 4.222 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.970 3.328 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.232 2.874 -3.138 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.756 3.189 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.279 6.846 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.078 5.241 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.653 6.257 -0.729 1.00 0.00 H new ATOM 751 N PHE A 48 -7.700 3.048 1.275 1.00 0.00 N ATOM 752 CA PHE A 48 -8.174 3.130 2.647 1.00 0.00 C ATOM 753 C PHE A 48 -8.426 4.607 2.956 1.00 0.00 C ATOM 754 O PHE A 48 -7.487 5.402 3.041 1.00 0.00 O ATOM 755 CB PHE A 48 -7.176 2.489 3.627 1.00 0.00 C ATOM 756 CG PHE A 48 -6.428 1.257 3.156 1.00 0.00 C ATOM 757 CD1 PHE A 48 -7.051 0.002 3.183 1.00 0.00 C ATOM 758 CD2 PHE A 48 -5.079 1.351 2.773 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.334 -1.148 2.802 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.355 0.207 2.408 1.00 0.00 C ATOM 761 CZ PHE A 48 -4.985 -1.044 2.410 1.00 0.00 C ATOM 0 H PHE A 48 -7.029 3.777 1.031 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.100 2.567 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.440 3.245 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.718 2.227 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.081 -0.083 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.594 2.316 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.820 -2.113 2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.316 0.290 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.438 -1.926 2.112 1.00 0.00 H new ATOM 771 N SER A 49 -9.678 5.036 3.015 1.00 0.00 N ATOM 772 CA SER A 49 -10.041 6.420 3.278 1.00 0.00 C ATOM 773 C SER A 49 -9.837 6.727 4.764 1.00 0.00 C ATOM 774 O SER A 49 -10.404 6.047 5.611 1.00 0.00 O ATOM 775 CB SER A 49 -11.499 6.680 2.880 1.00 0.00 C ATOM 776 OG SER A 49 -12.234 5.497 2.577 1.00 0.00 O ATOM 0 H SER A 49 -10.482 4.423 2.879 1.00 0.00 H new ATOM 0 HA SER A 49 -9.403 7.073 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.998 7.208 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.517 7.339 2.012 1.00 0.00 H new ATOM 0 HG SER A 49 -13.194 5.681 2.647 1.00 0.00 H new ATOM 782 N ASN A 50 -9.071 7.764 5.103 1.00 0.00 N ATOM 783 CA ASN A 50 -8.980 8.302 6.467 1.00 0.00 C ATOM 784 C ASN A 50 -10.285 9.040 6.757 1.00 0.00 C ATOM 785 O ASN A 50 -10.425 10.221 6.458 1.00 0.00 O ATOM 786 CB ASN A 50 -7.754 9.217 6.587 1.00 0.00 C ATOM 787 CG ASN A 50 -7.812 10.120 7.812 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.002 9.643 8.921 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.668 11.419 7.632 1.00 0.00 N ATOM 0 H ASN A 50 -8.487 8.263 4.432 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.849 7.508 7.202 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.853 8.606 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.676 9.832 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.714 12.053 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.510 11.790 6.695 1.00 0.00 H new ATOM 796 N GLN A 51 -11.322 8.320 7.183 1.00 0.00 N ATOM 797 CA GLN A 51 -12.726 8.707 7.188 1.00 0.00 C ATOM 798 C GLN A 51 -13.360 9.203 5.885 1.00 0.00 C ATOM 799 O GLN A 51 -14.579 9.157 5.757 1.00 0.00 O ATOM 800 CB GLN A 51 -12.994 9.669 8.341 1.00 0.00 C ATOM 801 CG GLN A 51 -12.979 8.938 9.694 1.00 0.00 C ATOM 802 CD GLN A 51 -13.977 9.551 10.665 1.00 0.00 C ATOM 803 OE1 GLN A 51 -13.656 9.974 11.777 1.00 0.00 O ATOM 804 NE2 GLN A 51 -15.227 9.565 10.232 1.00 0.00 N ATOM 0 H GLN A 51 -11.189 7.382 7.561 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.243 7.757 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.241 10.457 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.960 10.152 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.215 7.885 9.543 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.978 8.982 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.449 9.205 9.304 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.968 9.936 10.826 1.00 0.00 H new ATOM 813 N GLY A 52 -12.576 9.637 4.913 1.00 0.00 N ATOM 814 CA GLY A 52 -13.074 10.344 3.749 1.00 0.00 C ATOM 815 C GLY A 52 -11.965 11.138 3.083 1.00 0.00 C ATOM 816 O GLY A 52 -12.190 12.275 2.684 1.00 0.00 O ATOM 0 H GLY A 52 -11.564 9.506 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.495 9.632 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.881 11.015 4.044 1.00 0.00 H new ATOM 820 N THR A 53 -10.760 10.572 2.986 1.00 0.00 N ATOM 821 CA THR A 53 -9.637 11.177 2.261 1.00 0.00 C ATOM 822 C THR A 53 -9.066 10.178 1.248 1.00 0.00 C ATOM 823 O THR A 53 -9.618 9.082 1.095 1.00 0.00 O ATOM 824 CB THR A 53 -8.548 11.708 3.215 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.878 11.686 4.582 1.00 0.00 O ATOM 826 CG2 THR A 53 -8.126 13.128 2.844 1.00 0.00 C ATOM 0 H THR A 53 -10.533 9.673 3.412 1.00 0.00 H new ATOM 0 HA THR A 53 -10.014 12.043 1.717 1.00 0.00 H new ATOM 0 HB THR A 53 -7.727 11.004 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.547 12.502 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.357 13.472 3.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.730 13.136 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.989 13.791 2.902 1.00 0.00 H new ATOM 834 N PHE A 54 -7.986 10.544 0.546 1.00 0.00 N ATOM 835 CA PHE A 54 -7.348 9.762 -0.516 1.00 0.00 C ATOM 836 C PHE A 54 -5.850 9.540 -0.220 1.00 0.00 C ATOM 837 O PHE A 54 -5.022 9.481 -1.124 1.00 0.00 O ATOM 838 CB PHE A 54 -7.613 10.482 -1.852 1.00 0.00 C ATOM 839 CG PHE A 54 -7.232 9.686 -3.086 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.965 8.534 -3.422 1.00 0.00 C ATOM 841 CD2 PHE A 54 -6.114 10.054 -3.860 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.578 7.744 -4.514 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.751 9.283 -4.979 1.00 0.00 C ATOM 844 CZ PHE A 54 -6.474 8.121 -5.297 1.00 0.00 C ATOM 0 H PHE A 54 -7.514 11.433 0.712 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.773 8.760 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.672 10.733 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -7.062 11.422 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.829 8.257 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.536 10.927 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.128 6.846 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.916 9.584 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.181 7.518 -6.143 1.00 0.00 H new ATOM 854 N ILE A 55 -5.483 9.440 1.060 1.00 0.00 N ATOM 855 CA ILE A 55 -4.098 9.468 1.548 1.00 0.00 C ATOM 856 C ILE A 55 -3.328 8.187 1.154 1.00 0.00 C ATOM 857 O ILE A 55 -2.166 8.048 1.515 1.00 0.00 O ATOM 858 CB ILE A 55 -4.096 9.770 3.082 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.730 11.160 3.334 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.711 9.709 3.748 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.963 11.508 4.808 1.00 0.00 C ATOM 0 H ILE A 55 -6.164 9.334 1.812 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.551 10.276 1.062 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.682 8.975 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.086 11.921 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.684 11.208 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.808 9.932 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.291 8.711 3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.051 10.441 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.410 12.500 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.634 10.774 5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.011 11.499 5.339 1.00 0.00 H new ATOM 873 N ILE A 56 -3.930 7.207 0.467 1.00 0.00 N ATOM 874 CA ILE A 56 -3.278 5.943 0.157 1.00 0.00 C ATOM 875 C ILE A 56 -3.976 5.205 -0.982 1.00 0.00 C ATOM 876 O ILE A 56 -5.204 5.215 -1.052 1.00 0.00 O ATOM 877 CB ILE A 56 -3.228 5.122 1.463 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.454 3.813 1.276 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.613 4.866 2.076 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.577 3.562 2.496 1.00 0.00 C ATOM 0 H ILE A 56 -4.884 7.276 0.113 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.265 6.114 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.687 5.739 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.148 2.984 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.839 3.867 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.504 4.284 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.091 5.818 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.229 4.314 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.026 2.631 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.873 4.386 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.203 3.489 3.385 1.00 0.00 H new ATOM 892 N GLY A 57 -3.209 4.466 -1.794 1.00 0.00 N ATOM 893 CA GLY A 57 -3.704 3.373 -2.621 1.00 0.00 C ATOM 894 C GLY A 57 -2.553 2.440 -3.021 1.00 0.00 C ATOM 895 O GLY A 57 -1.392 2.864 -3.080 1.00 0.00 O ATOM 0 H GLY A 57 -2.205 4.620 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.463 2.811 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.183 3.773 -3.514 1.00 0.00 H new ATOM 899 N PHE A 58 -2.850 1.174 -3.342 1.00 0.00 N ATOM 900 CA PHE A 58 -1.866 0.268 -3.942 1.00 0.00 C ATOM 901 C PHE A 58 -2.521 -0.718 -4.899 1.00 0.00 C ATOM 902 O PHE A 58 -3.694 -1.054 -4.740 1.00 0.00 O ATOM 903 CB PHE A 58 -0.990 -0.457 -2.894 1.00 0.00 C ATOM 904 CG PHE A 58 -1.546 -1.584 -2.031 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.895 -1.688 -1.651 1.00 0.00 C ATOM 906 CD2 PHE A 58 -0.648 -2.564 -1.578 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.341 -2.776 -0.872 1.00 0.00 C ATOM 908 CE2 PHE A 58 -1.101 -3.694 -0.870 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.454 -3.800 -0.504 1.00 0.00 C ATOM 0 H PHE A 58 -3.768 0.754 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.190 0.898 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.129 -0.861 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.614 0.307 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.597 -0.927 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.408 -2.449 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.373 -2.822 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.408 -4.480 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.806 -4.656 0.052 1.00 0.00 H new ATOM 919 N SER A 59 -1.755 -1.231 -5.862 1.00 0.00 N ATOM 920 CA SER A 59 -2.184 -2.311 -6.738 1.00 0.00 C ATOM 921 C SER A 59 -0.997 -3.222 -7.007 1.00 0.00 C ATOM 922 O SER A 59 0.161 -2.800 -6.978 1.00 0.00 O ATOM 923 CB SER A 59 -2.805 -1.726 -8.016 1.00 0.00 C ATOM 924 OG SER A 59 -3.122 -2.680 -9.022 1.00 0.00 O ATOM 0 H SER A 59 -0.809 -0.902 -6.054 1.00 0.00 H new ATOM 0 HA SER A 59 -2.960 -2.916 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.714 -1.189 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.114 -0.994 -8.435 1.00 0.00 H new ATOM 0 HG SER A 59 -3.527 -3.470 -8.607 1.00 0.00 H new ATOM 930 N THR A 60 -1.305 -4.474 -7.296 1.00 0.00 N ATOM 931 CA THR A 60 -0.360 -5.466 -7.756 1.00 0.00 C ATOM 932 C THR A 60 0.077 -5.142 -9.189 1.00 0.00 C ATOM 933 O THR A 60 -0.625 -4.415 -9.915 1.00 0.00 O ATOM 934 CB THR A 60 -1.015 -6.847 -7.621 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.203 -6.921 -8.385 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.376 -7.149 -6.161 1.00 0.00 C ATOM 0 H THR A 60 -2.255 -4.837 -7.213 1.00 0.00 H new ATOM 0 HA THR A 60 0.548 -5.463 -7.153 1.00 0.00 H new ATOM 0 HB THR A 60 -0.289 -7.575 -7.983 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.428 -7.860 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.838 -8.134 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.472 -7.132 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.074 -6.396 -5.796 1.00 0.00 H new ATOM 944 N SER A 61 1.223 -5.689 -9.599 1.00 0.00 N ATOM 945 CA SER A 61 1.846 -5.470 -10.899 1.00 0.00 C ATOM 946 C SER A 61 2.563 -6.764 -11.346 1.00 0.00 C ATOM 947 O SER A 61 2.540 -7.779 -10.640 1.00 0.00 O ATOM 948 CB SER A 61 2.819 -4.276 -10.810 1.00 0.00 C ATOM 949 OG SER A 61 2.376 -3.237 -9.945 1.00 0.00 O ATOM 0 H SER A 61 1.762 -6.322 -9.008 1.00 0.00 H new ATOM 0 HA SER A 61 1.090 -5.228 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.789 -4.635 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.968 -3.866 -11.809 1.00 0.00 H new ATOM 0 HG SER A 61 3.039 -2.515 -9.935 1.00 0.00 H new ATOM 955 N LYS A 62 3.194 -6.754 -12.529 1.00 0.00 N ATOM 956 CA LYS A 62 3.731 -7.954 -13.186 1.00 0.00 C ATOM 957 C LYS A 62 4.717 -8.701 -12.297 1.00 0.00 C ATOM 958 O LYS A 62 4.517 -9.877 -11.990 1.00 0.00 O ATOM 959 CB LYS A 62 4.376 -7.611 -14.546 1.00 0.00 C ATOM 960 CG LYS A 62 3.356 -7.626 -15.682 1.00 0.00 C ATOM 961 CD LYS A 62 4.009 -7.343 -17.037 1.00 0.00 C ATOM 962 CE LYS A 62 3.025 -6.583 -17.925 1.00 0.00 C ATOM 963 NZ LYS A 62 1.935 -7.446 -18.441 1.00 0.00 N ATOM 0 H LYS A 62 3.348 -5.899 -13.064 1.00 0.00 H new ATOM 0 HA LYS A 62 2.885 -8.617 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.841 -6.627 -14.489 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.170 -8.326 -14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.861 -8.597 -15.713 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.585 -6.881 -15.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.919 -6.758 -16.900 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.300 -8.278 -17.515 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.593 -5.759 -17.358 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.564 -6.144 -18.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.297 -6.881 -19.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.342 -8.219 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.401 -7.845 -17.643 1.00 0.00 H new ATOM 977 N HIS A 63 5.802 -8.035 -11.911 1.00 0.00 N ATOM 978 CA HIS A 63 6.898 -8.630 -11.154 1.00 0.00 C ATOM 979 C HIS A 63 7.117 -7.900 -9.830 1.00 0.00 C ATOM 980 O HIS A 63 8.113 -8.146 -9.149 1.00 0.00 O ATOM 981 CB HIS A 63 8.153 -8.689 -12.039 1.00 0.00 C ATOM 982 CG HIS A 63 8.047 -9.778 -13.077 1.00 0.00 C ATOM 983 ND1 HIS A 63 8.068 -11.129 -12.816 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.862 -9.618 -14.422 1.00 0.00 C ATOM 985 CE1 HIS A 63 7.886 -11.786 -13.971 1.00 0.00 C ATOM 986 NE2 HIS A 63 7.789 -10.902 -14.983 1.00 0.00 N ATOM 0 H HIS A 63 5.946 -7.047 -12.120 1.00 0.00 H new ATOM 0 HA HIS A 63 6.646 -9.654 -10.878 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.297 -7.728 -12.532 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.031 -8.863 -11.416 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.786 -8.680 -14.953 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.826 -12.859 -14.074 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.682 -11.125 -15.973 1.00 0.00 H new ATOM 994 N HIS A 64 6.215 -6.990 -9.474 1.00 0.00 N ATOM 995 CA HIS A 64 6.339 -6.120 -8.327 1.00 0.00 C ATOM 996 C HIS A 64 4.942 -5.739 -7.836 1.00 0.00 C ATOM 997 O HIS A 64 3.942 -6.041 -8.488 1.00 0.00 O ATOM 998 CB HIS A 64 7.196 -4.891 -8.715 1.00 0.00 C ATOM 999 CG HIS A 64 6.844 -4.238 -10.028 1.00 0.00 C ATOM 1000 ND1 HIS A 64 5.910 -3.254 -10.210 1.00 0.00 N flip ATOM 1001 CD2 HIS A 64 7.433 -4.494 -11.249 1.00 0.00 C flip ATOM 1002 CE1 HIS A 64 5.900 -2.942 -11.572 1.00 0.00 C flip ATOM 1003 NE2 HIS A 64 6.838 -3.702 -12.157 1.00 0.00 N flip ATOM 0 H HIS A 64 5.353 -6.839 -9.998 1.00 0.00 H new ATOM 0 HA HIS A 64 6.847 -6.622 -7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.109 -4.146 -7.924 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.242 -5.197 -8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.227 -5.201 -11.440 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.258 -2.224 -12.061 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.067 -3.682 -13.151 1.00 0.00 H new ATOM 1011 N LEU A 65 4.883 -5.060 -6.697 1.00 0.00 N ATOM 1012 CA LEU A 65 3.720 -4.347 -6.169 1.00 0.00 C ATOM 1013 C LEU A 65 3.913 -2.850 -6.464 1.00 0.00 C ATOM 1014 O LEU A 65 5.058 -2.430 -6.641 1.00 0.00 O ATOM 1015 CB LEU A 65 3.671 -4.662 -4.659 1.00 0.00 C ATOM 1016 CG LEU A 65 2.608 -3.923 -3.832 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.170 -4.303 -4.186 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.875 -4.180 -2.346 1.00 0.00 C ATOM 0 H LEU A 65 5.691 -4.986 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 65 2.775 -4.647 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.509 -5.733 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.649 -4.438 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 65 2.696 -2.863 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.480 -3.739 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.980 -4.072 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.024 -5.370 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.127 -3.661 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.821 -5.250 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.868 -3.812 -2.086 1.00 0.00 H new ATOM 1030 N SER A 66 2.854 -2.029 -6.481 1.00 0.00 N ATOM 1031 CA SER A 66 2.930 -0.579 -6.663 1.00 0.00 C ATOM 1032 C SER A 66 2.233 0.158 -5.512 1.00 0.00 C ATOM 1033 O SER A 66 1.012 0.070 -5.361 1.00 0.00 O ATOM 1034 CB SER A 66 2.367 -0.170 -8.033 1.00 0.00 C ATOM 1035 OG SER A 66 1.053 -0.626 -8.309 1.00 0.00 O ATOM 0 H SER A 66 1.898 -2.367 -6.365 1.00 0.00 H new ATOM 0 HA SER A 66 3.979 -0.285 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.378 0.918 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.035 -0.546 -8.809 1.00 0.00 H new ATOM 0 HG SER A 66 0.871 -1.435 -7.786 1.00 0.00 H new ATOM 1041 N VAL A 67 2.985 0.884 -4.686 1.00 0.00 N ATOM 1042 CA VAL A 67 2.535 1.470 -3.421 1.00 0.00 C ATOM 1043 C VAL A 67 2.841 2.983 -3.419 1.00 0.00 C ATOM 1044 O VAL A 67 3.853 3.400 -3.976 1.00 0.00 O ATOM 1045 CB VAL A 67 3.267 0.743 -2.268 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.619 1.037 -0.920 1.00 0.00 C ATOM 1047 CG2 VAL A 67 3.295 -0.788 -2.386 1.00 0.00 C ATOM 0 H VAL A 67 3.964 1.089 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 67 1.459 1.349 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 67 4.284 1.129 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.159 0.510 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.652 2.109 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.582 0.702 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.829 -1.209 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.274 -1.171 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.802 -1.073 -3.308 1.00 0.00 H new ATOM 1057 N SER A 68 1.997 3.811 -2.793 1.00 0.00 N ATOM 1058 CA SER A 68 2.259 5.221 -2.467 1.00 0.00 C ATOM 1059 C SER A 68 1.186 5.665 -1.451 1.00 0.00 C ATOM 1060 O SER A 68 0.130 5.025 -1.398 1.00 0.00 O ATOM 1061 CB SER A 68 2.174 6.073 -3.751 1.00 0.00 C ATOM 1062 OG SER A 68 2.496 7.428 -3.487 1.00 0.00 O ATOM 0 H SER A 68 1.073 3.506 -2.486 1.00 0.00 H new ATOM 0 HA SER A 68 3.255 5.349 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.856 5.674 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.169 6.009 -4.167 1.00 0.00 H new ATOM 0 HG SER A 68 1.908 8.012 -4.011 1.00 0.00 H new ATOM 1068 N PRO A 69 1.413 6.726 -0.634 1.00 0.00 N ATOM 1069 CA PRO A 69 0.302 7.408 -0.005 1.00 0.00 C ATOM 1070 C PRO A 69 -0.350 8.350 -1.023 1.00 0.00 C ATOM 1071 O PRO A 69 -1.512 8.160 -1.397 1.00 0.00 O ATOM 1072 CB PRO A 69 0.924 8.183 1.174 1.00 0.00 C ATOM 1073 CG PRO A 69 2.358 8.456 0.727 1.00 0.00 C ATOM 1074 CD PRO A 69 2.676 7.253 -0.167 1.00 0.00 C ATOM 0 HA PRO A 69 -0.478 6.732 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.385 9.110 1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.898 7.598 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.439 9.396 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.040 8.520 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.303 7.552 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.228 6.495 0.389 1.00 0.00 H new ATOM 1082 N GLU A 70 0.413 9.261 -1.609 1.00 0.00 N ATOM 1083 CA GLU A 70 -0.029 10.312 -2.515 1.00 0.00 C ATOM 1084 C GLU A 70 1.163 10.591 -3.438 1.00 0.00 C ATOM 1085 O GLU A 70 1.314 9.984 -4.503 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.447 11.566 -1.708 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.717 11.427 -0.863 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.039 12.723 -0.108 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -2.400 13.747 -0.739 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -1.976 12.710 1.146 1.00 0.00 O ATOM 0 H GLU A 70 1.421 9.288 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.903 10.021 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.376 11.841 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.586 12.392 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.556 11.163 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.593 10.612 -0.150 1.00 0.00 H new ATOM 1097 N GLU A 71 2.063 11.459 -2.967 1.00 0.00 N ATOM 1098 CA GLU A 71 3.164 12.058 -3.717 1.00 0.00 C ATOM 1099 C GLU A 71 4.430 12.148 -2.849 1.00 0.00 C ATOM 1100 O GLU A 71 5.491 11.681 -3.258 1.00 0.00 O ATOM 1101 CB GLU A 71 2.758 13.439 -4.275 1.00 0.00 C ATOM 1102 CG GLU A 71 1.859 14.247 -3.321 1.00 0.00 C ATOM 1103 CD GLU A 71 1.928 15.760 -3.538 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.165 16.256 -4.659 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.854 16.494 -2.528 1.00 0.00 O ATOM 0 H GLU A 71 2.039 11.778 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 71 3.393 11.414 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.659 14.015 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.237 13.300 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.827 13.919 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.144 14.024 -2.293 1.00 0.00 H new ATOM 1112 N ILE A 72 4.325 12.679 -1.624 1.00 0.00 N ATOM 1113 CA ILE A 72 5.476 12.887 -0.742 1.00 0.00 C ATOM 1114 C ILE A 72 6.218 11.590 -0.466 1.00 0.00 C ATOM 1115 O ILE A 72 7.445 11.592 -0.393 1.00 0.00 O ATOM 1116 CB ILE A 72 5.032 13.584 0.558 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.246 14.055 1.391 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.090 12.730 1.436 1.00 0.00 C ATOM 1119 CD1 ILE A 72 5.895 15.065 2.490 1.00 0.00 C ATOM 0 H ILE A 72 3.438 12.976 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 72 6.182 13.542 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 72 4.458 14.451 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.719 13.186 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.981 14.503 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.822 13.289 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.187 12.490 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.596 11.807 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.800 15.346 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.451 15.953 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.185 14.616 3.184 1.00 0.00 H new ATOM 1131 N GLY A 73 5.482 10.480 -0.389 1.00 0.00 N ATOM 1132 CA GLY A 73 6.034 9.142 -0.293 1.00 0.00 C ATOM 1133 C GLY A 73 7.175 8.963 -1.277 1.00 0.00 C ATOM 1134 O GLY A 73 8.257 8.487 -0.910 1.00 0.00 O ATOM 0 H GLY A 73 4.462 10.495 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.390 8.962 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.255 8.406 -0.493 1.00 0.00 H new ATOM 1138 N ILE A 74 6.974 9.351 -2.537 1.00 0.00 N ATOM 1139 CA ILE A 74 7.860 9.046 -3.641 1.00 0.00 C ATOM 1140 C ILE A 74 8.906 10.157 -3.827 1.00 0.00 C ATOM 1141 O ILE A 74 9.792 10.036 -4.676 1.00 0.00 O ATOM 1142 CB ILE A 74 7.034 8.821 -4.925 1.00 0.00 C ATOM 1143 CG1 ILE A 74 5.673 8.118 -4.703 1.00 0.00 C ATOM 1144 CG2 ILE A 74 7.847 8.034 -5.969 1.00 0.00 C ATOM 1145 CD1 ILE A 74 5.776 6.801 -3.927 1.00 0.00 C ATOM 0 H ILE A 74 6.163 9.903 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 74 8.404 8.128 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 74 6.809 9.824 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.009 8.795 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.213 7.923 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.244 7.888 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.748 8.592 -6.225 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.126 7.064 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.782 6.368 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.413 6.106 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.206 6.991 -2.943 1.00 0.00 H new ATOM 1157 N SER A 75 8.860 11.239 -3.042 1.00 0.00 N ATOM 1158 CA SER A 75 9.917 12.236 -3.070 1.00 0.00 C ATOM 1159 C SER A 75 10.803 12.144 -1.829 1.00 0.00 C ATOM 1160 O SER A 75 12.021 11.996 -1.952 1.00 0.00 O ATOM 1161 CB SER A 75 9.291 13.615 -3.229 1.00 0.00 C ATOM 1162 OG SER A 75 8.738 13.718 -4.529 1.00 0.00 O ATOM 0 H SER A 75 8.105 11.439 -2.386 1.00 0.00 H new ATOM 0 HA SER A 75 10.571 12.049 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.517 13.767 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.042 14.390 -3.076 1.00 0.00 H new ATOM 0 HG SER A 75 8.330 14.602 -4.642 1.00 0.00 H new ATOM 1168 N GLN A 76 10.198 12.214 -0.647 1.00 0.00 N ATOM 1169 CA GLN A 76 10.853 12.344 0.636 1.00 0.00 C ATOM 1170 C GLN A 76 11.373 10.964 1.007 1.00 0.00 C ATOM 1171 O GLN A 76 12.570 10.776 1.226 1.00 0.00 O ATOM 1172 CB GLN A 76 9.806 12.928 1.615 1.00 0.00 C ATOM 1173 CG GLN A 76 10.016 12.701 3.114 1.00 0.00 C ATOM 1174 CD GLN A 76 11.413 13.080 3.583 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.007 14.061 3.137 1.00 0.00 O ATOM 1176 NE2 GLN A 76 11.982 12.314 4.485 1.00 0.00 N ATOM 0 H GLN A 76 9.182 12.179 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 76 11.709 13.018 0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.753 14.003 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.833 12.515 1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.282 13.283 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.833 11.652 3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.485 11.502 4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.921 12.531 4.819 1.00 0.00 H new ATOM 1185 N PHE A 77 10.469 9.984 1.055 1.00 0.00 N ATOM 1186 CA PHE A 77 10.814 8.660 1.539 1.00 0.00 C ATOM 1187 C PHE A 77 11.512 7.832 0.466 1.00 0.00 C ATOM 1188 O PHE A 77 12.223 6.885 0.797 1.00 0.00 O ATOM 1189 CB PHE A 77 9.608 7.932 2.118 1.00 0.00 C ATOM 1190 CG PHE A 77 8.819 8.714 3.150 1.00 0.00 C ATOM 1191 CD1 PHE A 77 7.915 9.698 2.711 1.00 0.00 C ATOM 1192 CD2 PHE A 77 8.950 8.444 4.527 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.093 10.367 3.621 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.115 9.116 5.450 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.184 10.061 4.981 1.00 0.00 C ATOM 0 H PHE A 77 9.497 10.088 0.764 1.00 0.00 H new ATOM 0 HA PHE A 77 11.524 8.795 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.939 7.662 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 77 9.948 7.002 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.856 9.939 1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.682 7.730 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.393 11.114 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.191 8.905 6.507 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.530 10.557 5.683 1.00 0.00 H new ATOM 1205 N ALA A 78 11.385 8.214 -0.811 1.00 0.00 N ATOM 1206 CA ALA A 78 12.043 7.516 -1.908 1.00 0.00 C ATOM 1207 C ALA A 78 13.562 7.468 -1.769 1.00 0.00 C ATOM 1208 O ALA A 78 14.186 6.588 -2.352 1.00 0.00 O ATOM 1209 CB ALA A 78 11.663 8.159 -3.230 1.00 0.00 C ATOM 0 H ALA A 78 10.824 9.013 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 78 11.695 6.484 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.158 7.633 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.583 8.103 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.975 9.203 -3.230 1.00 0.00 H new ATOM 1215 N ASP A 79 14.155 8.378 -0.997 1.00 0.00 N ATOM 1216 CA ASP A 79 15.578 8.346 -0.689 1.00 0.00 C ATOM 1217 C ASP A 79 15.879 7.089 0.130 1.00 0.00 C ATOM 1218 O ASP A 79 16.565 6.175 -0.325 1.00 0.00 O ATOM 1219 CB ASP A 79 15.968 9.634 0.049 1.00 0.00 C ATOM 1220 CG ASP A 79 17.427 9.985 -0.204 1.00 0.00 C ATOM 1221 OD1 ASP A 79 17.711 10.521 -1.305 1.00 0.00 O ATOM 1222 OD2 ASP A 79 18.253 9.797 0.709 1.00 0.00 O ATOM 0 H ASP A 79 13.658 9.159 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 79 16.174 8.301 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.330 10.454 -0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.800 9.510 1.119 1.00 0.00 H new ATOM 1227 N ALA A 80 15.259 6.993 1.307 1.00 0.00 N ATOM 1228 CA ALA A 80 15.392 5.864 2.206 1.00 0.00 C ATOM 1229 C ALA A 80 15.025 4.534 1.529 1.00 0.00 C ATOM 1230 O ALA A 80 15.671 3.524 1.805 1.00 0.00 O ATOM 1231 CB ALA A 80 14.524 6.129 3.444 1.00 0.00 C ATOM 0 H ALA A 80 14.638 7.719 1.663 1.00 0.00 H new ATOM 0 HA ALA A 80 16.436 5.764 2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.610 5.290 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.862 7.041 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.483 6.245 3.141 1.00 0.00 H new ATOM 1237 N ILE A 81 14.017 4.518 0.650 1.00 0.00 N ATOM 1238 CA ILE A 81 13.592 3.340 -0.115 1.00 0.00 C ATOM 1239 C ILE A 81 14.673 2.946 -1.126 1.00 0.00 C ATOM 1240 O ILE A 81 14.984 1.756 -1.255 1.00 0.00 O ATOM 1241 CB ILE A 81 12.250 3.640 -0.821 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.128 3.890 0.206 1.00 0.00 C ATOM 1243 CG2 ILE A 81 11.793 2.531 -1.786 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.907 4.543 -0.438 1.00 0.00 C ATOM 0 H ILE A 81 13.459 5.347 0.445 1.00 0.00 H new ATOM 0 HA ILE A 81 13.447 2.499 0.563 1.00 0.00 H new ATOM 0 HB ILE A 81 12.437 4.536 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.836 2.945 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.503 4.529 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.845 2.814 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.544 2.394 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.667 1.599 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.138 4.703 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.193 5.501 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.516 3.892 -1.220 1.00 0.00 H new ATOM 1256 N ALA A 82 15.234 3.917 -1.855 1.00 0.00 N ATOM 1257 CA ALA A 82 16.264 3.663 -2.847 1.00 0.00 C ATOM 1258 C ALA A 82 17.453 2.996 -2.167 1.00 0.00 C ATOM 1259 O ALA A 82 17.876 1.926 -2.608 1.00 0.00 O ATOM 1260 CB ALA A 82 16.688 4.963 -3.540 1.00 0.00 C ATOM 0 H ALA A 82 14.980 4.901 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 82 15.869 2.999 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.460 4.747 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.826 5.409 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.080 5.659 -2.799 1.00 0.00 H new ATOM 1266 N GLN A 83 17.955 3.604 -1.091 1.00 0.00 N ATOM 1267 CA GLN A 83 19.071 3.062 -0.333 1.00 0.00 C ATOM 1268 C GLN A 83 18.727 1.776 0.411 1.00 0.00 C ATOM 1269 O GLN A 83 19.646 1.025 0.740 1.00 0.00 O ATOM 1270 CB GLN A 83 19.573 4.092 0.668 1.00 0.00 C ATOM 1271 CG GLN A 83 20.386 5.209 -0.004 1.00 0.00 C ATOM 1272 CD GLN A 83 19.617 6.478 -0.333 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.374 6.789 -1.499 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.278 7.241 0.691 1.00 0.00 N ATOM 0 H GLN A 83 17.596 4.486 -0.725 1.00 0.00 H new ATOM 0 HA GLN A 83 19.845 2.821 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.724 4.529 1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.190 3.597 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.219 5.470 0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 83 20.815 4.817 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.498 6.946 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.796 8.125 0.530 1.00 0.00 H new ATOM 1283 N ALA A 84 17.447 1.503 0.690 1.00 0.00 N ATOM 1284 CA ALA A 84 17.056 0.214 1.241 1.00 0.00 C ATOM 1285 C ALA A 84 17.203 -0.894 0.188 1.00 0.00 C ATOM 1286 O ALA A 84 17.350 -2.062 0.552 1.00 0.00 O ATOM 1287 CB ALA A 84 15.625 0.244 1.794 1.00 0.00 C ATOM 0 H ALA A 84 16.676 2.155 0.543 1.00 0.00 H new ATOM 0 HA ALA A 84 17.727 -0.003 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.370 -0.736 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.556 0.990 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.931 0.499 0.993 1.00 0.00 H new ATOM 1293 N GLY A 85 17.216 -0.543 -1.104 1.00 0.00 N ATOM 1294 CA GLY A 85 17.536 -1.440 -2.207 1.00 0.00 C ATOM 1295 C GLY A 85 16.442 -1.521 -3.270 1.00 0.00 C ATOM 1296 O GLY A 85 16.520 -2.406 -4.124 1.00 0.00 O ATOM 0 H GLY A 85 16.996 0.404 -1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.462 -1.108 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.719 -2.439 -1.810 1.00 0.00 H new ATOM 1300 N TYR A 86 15.415 -0.661 -3.247 1.00 0.00 N ATOM 1301 CA TYR A 86 14.256 -0.786 -4.134 1.00 0.00 C ATOM 1302 C TYR A 86 14.224 0.358 -5.156 1.00 0.00 C ATOM 1303 O TYR A 86 14.170 1.530 -4.781 1.00 0.00 O ATOM 1304 CB TYR A 86 12.963 -0.823 -3.315 1.00 0.00 C ATOM 1305 CG TYR A 86 12.898 -1.836 -2.183 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.891 -3.220 -2.450 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.807 -1.384 -0.853 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.727 -4.146 -1.400 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.616 -2.298 0.193 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.545 -3.684 -0.075 1.00 0.00 C ATOM 1311 OH TYR A 86 12.268 -4.543 0.947 1.00 0.00 O ATOM 0 H TYR A 86 15.366 0.138 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 86 14.342 -1.723 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.799 0.169 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.135 -1.021 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.012 -3.573 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.885 -0.329 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.740 -5.206 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.523 -1.941 1.208 1.00 0.00 H new ATOM 0 HH TYR A 86 11.794 -5.326 0.597 1.00 0.00 H new ATOM 1321 N SER A 87 14.224 0.036 -6.452 1.00 0.00 N ATOM 1322 CA SER A 87 14.109 1.007 -7.538 1.00 0.00 C ATOM 1323 C SER A 87 12.662 1.506 -7.676 1.00 0.00 C ATOM 1324 O SER A 87 11.875 0.985 -8.477 1.00 0.00 O ATOM 1325 CB SER A 87 14.664 0.407 -8.841 1.00 0.00 C ATOM 1326 OG SER A 87 14.266 -0.944 -9.030 1.00 0.00 O ATOM 0 H SER A 87 14.306 -0.926 -6.780 1.00 0.00 H new ATOM 0 HA SER A 87 14.712 1.884 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.323 1.005 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.752 0.464 -8.829 1.00 0.00 H new ATOM 0 HG SER A 87 14.641 -1.281 -9.870 1.00 0.00 H new ATOM 1332 N ALA A 88 12.296 2.525 -6.889 1.00 0.00 N ATOM 1333 CA ALA A 88 11.012 3.218 -6.998 1.00 0.00 C ATOM 1334 C ALA A 88 10.830 3.823 -8.400 1.00 0.00 C ATOM 1335 O ALA A 88 11.754 3.851 -9.220 1.00 0.00 O ATOM 1336 CB ALA A 88 10.909 4.300 -5.909 1.00 0.00 C ATOM 0 H ALA A 88 12.893 2.894 -6.149 1.00 0.00 H new ATOM 0 HA ALA A 88 10.210 2.496 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.951 4.813 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.985 3.835 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.718 5.020 -6.033 1.00 0.00 H new ATOM 1342 N THR A 89 9.630 4.324 -8.686 1.00 0.00 N ATOM 1343 CA THR A 89 9.385 5.160 -9.855 1.00 0.00 C ATOM 1344 C THR A 89 9.322 6.616 -9.382 1.00 0.00 C ATOM 1345 O THR A 89 9.604 6.899 -8.218 1.00 0.00 O ATOM 1346 CB THR A 89 8.137 4.699 -10.629 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.946 5.086 -9.996 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.089 3.185 -10.845 1.00 0.00 C ATOM 0 H THR A 89 8.802 4.161 -8.113 1.00 0.00 H new ATOM 0 HA THR A 89 10.197 5.068 -10.576 1.00 0.00 H new ATOM 0 HB THR A 89 8.220 5.192 -11.597 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.863 4.617 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.185 2.925 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.964 2.871 -11.414 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.083 2.680 -9.879 1.00 0.00 H new ATOM 1356 N LYS A 90 8.951 7.548 -10.263 1.00 0.00 N ATOM 1357 CA LYS A 90 8.755 8.935 -9.858 1.00 0.00 C ATOM 1358 C LYS A 90 7.376 9.191 -9.249 1.00 0.00 C ATOM 1359 O LYS A 90 7.234 10.182 -8.534 1.00 0.00 O ATOM 1360 CB LYS A 90 9.009 9.868 -11.056 1.00 0.00 C ATOM 1361 CG LYS A 90 10.376 10.561 -10.972 1.00 0.00 C ATOM 1362 CD LYS A 90 10.388 11.622 -9.861 1.00 0.00 C ATOM 1363 CE LYS A 90 11.734 12.333 -9.690 1.00 0.00 C ATOM 1364 NZ LYS A 90 12.023 13.261 -10.796 1.00 0.00 N ATOM 0 H LYS A 90 8.782 7.366 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 90 9.477 9.148 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.951 9.293 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.223 10.622 -11.100 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.152 9.820 -10.781 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.610 11.028 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.621 12.366 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.117 11.148 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.735 12.883 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.529 11.590 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.944 13.717 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.050 12.735 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.280 13.987 -10.843 1.00 0.00 H new ATOM 1378 N GLY A 91 6.386 8.326 -9.495 1.00 0.00 N ATOM 1379 CA GLY A 91 4.987 8.577 -9.148 1.00 0.00 C ATOM 1380 C GLY A 91 4.386 7.534 -8.206 1.00 0.00 C ATOM 1381 O GLY A 91 3.331 7.779 -7.616 1.00 0.00 O ATOM 0 H GLY A 91 6.537 7.423 -9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.909 9.560 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.396 8.609 -10.063 1.00 0.00 H new ATOM 1385 N LEU A 92 5.042 6.379 -8.038 1.00 0.00 N ATOM 1386 CA LEU A 92 4.769 5.379 -7.006 1.00 0.00 C ATOM 1387 C LEU A 92 6.066 4.636 -6.661 1.00 0.00 C ATOM 1388 O LEU A 92 7.018 4.686 -7.446 1.00 0.00 O ATOM 1389 CB LEU A 92 3.621 4.449 -7.438 1.00 0.00 C ATOM 1390 CG LEU A 92 3.809 3.597 -8.712 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.643 2.337 -8.457 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.413 3.247 -9.252 1.00 0.00 C ATOM 0 H LEU A 92 5.813 6.107 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 92 4.425 5.865 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.415 3.769 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.731 5.062 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 92 4.369 4.171 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.745 1.774 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.631 2.622 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.147 1.718 -7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.513 2.644 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.862 2.684 -8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.873 4.164 -9.487 1.00 0.00 H new ATOM 1404 N PHE A 93 6.128 3.901 -5.548 1.00 0.00 N ATOM 1405 CA PHE A 93 7.265 3.013 -5.264 1.00 0.00 C ATOM 1406 C PHE A 93 6.863 1.556 -5.444 1.00 0.00 C ATOM 1407 O PHE A 93 5.680 1.223 -5.497 1.00 0.00 O ATOM 1408 CB PHE A 93 7.949 3.304 -3.922 1.00 0.00 C ATOM 1409 CG PHE A 93 7.377 2.616 -2.699 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.330 3.210 -1.975 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.944 1.413 -2.237 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.862 2.618 -0.793 1.00 0.00 C ATOM 1413 CE2 PHE A 93 7.459 0.810 -1.066 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.419 1.415 -0.340 1.00 0.00 C ATOM 0 H PHE A 93 5.406 3.901 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 93 8.039 3.227 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.999 3.025 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.918 4.380 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.883 4.127 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.754 0.953 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.070 3.091 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.886 -0.121 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.050 0.954 0.564 1.00 0.00 H new ATOM 1424 N ARG A 94 7.852 0.675 -5.617 1.00 0.00 N ATOM 1425 CA ARG A 94 7.607 -0.681 -6.088 1.00 0.00 C ATOM 1426 C ARG A 94 8.662 -1.624 -5.538 1.00 0.00 C ATOM 1427 O ARG A 94 9.834 -1.254 -5.459 1.00 0.00 O ATOM 1428 CB ARG A 94 7.532 -0.686 -7.632 1.00 0.00 C ATOM 1429 CG ARG A 94 8.828 -0.253 -8.340 1.00 0.00 C ATOM 1430 CD ARG A 94 9.697 -1.441 -8.767 1.00 0.00 C ATOM 1431 NE ARG A 94 9.525 -1.726 -10.196 1.00 0.00 N ATOM 1432 CZ ARG A 94 10.263 -2.555 -10.935 1.00 0.00 C ATOM 1433 NH1 ARG A 94 11.175 -3.335 -10.376 1.00 0.00 N ATOM 1434 NH2 ARG A 94 10.062 -2.568 -12.246 1.00 0.00 N ATOM 0 H ARG A 94 8.834 0.883 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 94 6.647 -1.042 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.269 -1.690 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.724 -0.024 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.576 0.341 -9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.403 0.391 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.745 -1.224 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.431 -2.321 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 94 8.764 -1.241 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.321 -3.307 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.732 -3.964 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.360 -1.955 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.610 -3.191 -12.840 1.00 0.00 H new ATOM 1448 N ILE A 95 8.245 -2.832 -5.183 1.00 0.00 N ATOM 1449 CA ILE A 95 9.046 -3.836 -4.483 1.00 0.00 C ATOM 1450 C ILE A 95 8.995 -5.091 -5.358 1.00 0.00 C ATOM 1451 O ILE A 95 7.921 -5.355 -5.900 1.00 0.00 O ATOM 1452 CB ILE A 95 8.406 -4.110 -3.090 1.00 0.00 C ATOM 1453 CG1 ILE A 95 8.027 -2.811 -2.335 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.308 -4.962 -2.184 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.559 -2.423 -2.569 1.00 0.00 C ATOM 0 H ILE A 95 7.299 -3.156 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 95 10.075 -3.515 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 95 7.495 -4.666 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.201 -2.947 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.675 -1.998 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.814 -5.123 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.498 -5.924 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.254 -4.445 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.333 -1.507 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.391 -2.261 -3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.910 -3.225 -2.217 1.00 0.00 H new ATOM 1467 N PRO A 96 10.063 -5.898 -5.484 1.00 0.00 N ATOM 1468 CA PRO A 96 9.993 -7.148 -6.237 1.00 0.00 C ATOM 1469 C PRO A 96 9.065 -8.129 -5.529 1.00 0.00 C ATOM 1470 O PRO A 96 8.985 -8.130 -4.300 1.00 0.00 O ATOM 1471 CB PRO A 96 11.421 -7.703 -6.266 1.00 0.00 C ATOM 1472 CG PRO A 96 12.065 -7.083 -5.029 1.00 0.00 C ATOM 1473 CD PRO A 96 11.396 -5.713 -4.929 1.00 0.00 C ATOM 0 HA PRO A 96 9.604 -6.991 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.430 -8.792 -6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.945 -7.417 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.884 -7.684 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.146 -6.995 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.348 -5.373 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.954 -4.961 -5.487 1.00 0.00 H new ATOM 1481 N TRP A 97 8.434 -9.032 -6.281 1.00 0.00 N ATOM 1482 CA TRP A 97 7.727 -10.155 -5.681 1.00 0.00 C ATOM 1483 C TRP A 97 8.670 -11.106 -4.936 1.00 0.00 C ATOM 1484 O TRP A 97 8.220 -11.786 -4.010 1.00 0.00 O ATOM 1485 CB TRP A 97 6.931 -10.901 -6.756 1.00 0.00 C ATOM 1486 CG TRP A 97 5.674 -10.238 -7.239 1.00 0.00 C ATOM 1487 CD1 TRP A 97 5.257 -10.248 -8.522 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.602 -9.588 -6.479 1.00 0.00 C ATOM 1489 NE1 TRP A 97 4.038 -9.607 -8.630 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.566 -9.229 -7.394 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.359 -9.302 -5.116 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.355 -8.657 -6.979 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.163 -8.696 -4.693 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.151 -8.393 -5.614 1.00 0.00 C ATOM 0 H TRP A 97 8.400 -9.005 -7.300 1.00 0.00 H new ATOM 0 HA TRP A 97 7.038 -9.756 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.584 -11.061 -7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.670 -11.885 -6.366 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.797 -10.692 -9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.552 -9.436 -9.510 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.110 -9.555 -4.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.587 -8.422 -7.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.023 -8.462 -3.648 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.221 -7.960 -5.277 1.00 0.00 H new ATOM 1505 N ASN A 98 9.952 -11.166 -5.319 1.00 0.00 N ATOM 1506 CA ASN A 98 10.955 -12.009 -4.668 1.00 0.00 C ATOM 1507 C ASN A 98 11.173 -11.606 -3.212 1.00 0.00 C ATOM 1508 O ASN A 98 10.852 -12.377 -2.311 1.00 0.00 O ATOM 1509 CB ASN A 98 12.294 -11.978 -5.419 1.00 0.00 C ATOM 1510 CG ASN A 98 13.361 -12.761 -4.647 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.379 -13.987 -4.668 1.00 0.00 O ATOM 1512 ND2 ASN A 98 14.286 -12.093 -3.977 1.00 0.00 N ATOM 0 H ASN A 98 10.323 -10.623 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 98 10.566 -13.027 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.170 -12.406 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.618 -10.946 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.017 -12.598 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.268 -11.073 -3.962 1.00 0.00 H new ATOM 1519 N ASP A 99 11.786 -10.439 -2.993 1.00 0.00 N ATOM 1520 CA ASP A 99 12.270 -10.044 -1.672 1.00 0.00 C ATOM 1521 C ASP A 99 11.099 -9.659 -0.775 1.00 0.00 C ATOM 1522 O ASP A 99 10.031 -9.307 -1.287 1.00 0.00 O ATOM 1523 CB ASP A 99 13.293 -8.897 -1.763 1.00 0.00 C ATOM 1524 CG ASP A 99 14.646 -9.421 -2.229 1.00 0.00 C ATOM 1525 OD1 ASP A 99 15.339 -10.059 -1.403 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.968 -9.279 -3.432 1.00 0.00 O ATOM 0 H ASP A 99 11.959 -9.747 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 99 12.782 -10.900 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.934 -8.136 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.398 -8.418 -0.790 1.00 0.00 H new ATOM 1531 N PRO A 100 11.264 -9.711 0.556 1.00 0.00 N ATOM 1532 CA PRO A 100 10.249 -9.245 1.478 1.00 0.00 C ATOM 1533 C PRO A 100 10.105 -7.716 1.419 1.00 0.00 C ATOM 1534 O PRO A 100 10.985 -6.982 0.958 1.00 0.00 O ATOM 1535 CB PRO A 100 10.697 -9.748 2.853 1.00 0.00 C ATOM 1536 CG PRO A 100 12.217 -9.808 2.727 1.00 0.00 C ATOM 1537 CD PRO A 100 12.414 -10.229 1.274 1.00 0.00 C ATOM 0 HA PRO A 100 9.257 -9.625 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.386 -9.072 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.273 -10.726 3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.679 -8.843 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.653 -10.527 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.342 -9.824 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.475 -11.314 1.185 1.00 0.00 H new ATOM 1545 N VAL A 101 8.966 -7.250 1.919 1.00 0.00 N ATOM 1546 CA VAL A 101 8.524 -5.867 1.946 1.00 0.00 C ATOM 1547 C VAL A 101 9.109 -5.185 3.194 1.00 0.00 C ATOM 1548 O VAL A 101 9.060 -5.764 4.284 1.00 0.00 O ATOM 1549 CB VAL A 101 6.975 -5.901 1.952 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.356 -4.505 2.024 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.410 -6.599 0.698 1.00 0.00 C ATOM 0 H VAL A 101 8.282 -7.875 2.345 1.00 0.00 H new ATOM 0 HA VAL A 101 8.865 -5.293 1.084 1.00 0.00 H new ATOM 0 HB VAL A 101 6.709 -6.462 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.269 -4.589 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.683 -4.009 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.674 -3.921 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.321 -6.601 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.736 -6.064 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.773 -7.626 0.658 1.00 0.00 H new ATOM 1561 N HIS A 102 9.619 -3.955 3.068 1.00 0.00 N ATOM 1562 CA HIS A 102 9.881 -3.091 4.217 1.00 0.00 C ATOM 1563 C HIS A 102 8.527 -2.553 4.680 1.00 0.00 C ATOM 1564 O HIS A 102 7.991 -1.656 4.026 1.00 0.00 O ATOM 1565 CB HIS A 102 10.805 -1.908 3.853 1.00 0.00 C ATOM 1566 CG HIS A 102 12.216 -2.043 4.362 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.693 -1.480 5.523 1.00 0.00 N ATOM 1568 CD2 HIS A 102 13.269 -2.666 3.745 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.996 -1.759 5.601 1.00 0.00 C ATOM 1570 NE2 HIS A 102 14.398 -2.485 4.547 1.00 0.00 N ATOM 0 H HIS A 102 9.860 -3.535 2.170 1.00 0.00 H new ATOM 0 HA HIS A 102 10.387 -3.661 4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.831 -1.803 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.374 -0.990 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.232 -3.201 2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.642 -1.442 6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 102 15.339 -2.835 4.367 1.00 0.00 H new ATOM 1578 N TYR A 103 7.950 -3.089 5.756 1.00 0.00 N ATOM 1579 CA TYR A 103 6.785 -2.502 6.406 1.00 0.00 C ATOM 1580 C TYR A 103 7.166 -1.236 7.194 1.00 0.00 C ATOM 1581 O TYR A 103 6.291 -0.440 7.524 1.00 0.00 O ATOM 1582 CB TYR A 103 6.107 -3.536 7.311 1.00 0.00 C ATOM 1583 CG TYR A 103 5.384 -4.652 6.557 1.00 0.00 C ATOM 1584 CD1 TYR A 103 6.065 -5.817 6.148 1.00 0.00 C ATOM 1585 CD2 TYR A 103 4.016 -4.533 6.251 1.00 0.00 C ATOM 1586 CE1 TYR A 103 5.380 -6.843 5.465 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.327 -5.541 5.568 1.00 0.00 C ATOM 1588 CZ TYR A 103 4.003 -6.715 5.178 1.00 0.00 C ATOM 1589 OH TYR A 103 3.322 -7.710 4.546 1.00 0.00 O ATOM 0 H TYR A 103 8.281 -3.945 6.200 1.00 0.00 H new ATOM 0 HA TYR A 103 6.075 -2.203 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.859 -3.981 7.962 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.391 -3.025 7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.119 -5.924 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.485 -3.642 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.912 -7.732 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.278 -5.420 5.340 1.00 0.00 H new ATOM 0 HH TYR A 103 3.726 -8.575 4.768 1.00 0.00 H new ATOM 1599 N GLU A 104 8.454 -1.004 7.471 1.00 0.00 N ATOM 1600 CA GLU A 104 8.905 0.117 8.286 1.00 0.00 C ATOM 1601 C GLU A 104 8.637 1.449 7.588 1.00 0.00 C ATOM 1602 O GLU A 104 7.834 2.247 8.067 1.00 0.00 O ATOM 1603 CB GLU A 104 10.403 -0.031 8.597 1.00 0.00 C ATOM 1604 CG GLU A 104 10.860 0.973 9.664 1.00 0.00 C ATOM 1605 CD GLU A 104 10.845 0.294 11.029 1.00 0.00 C ATOM 1606 OE1 GLU A 104 9.750 -0.046 11.537 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.960 0.046 11.546 1.00 0.00 O ATOM 0 H GLU A 104 9.213 -1.595 7.132 1.00 0.00 H new ATOM 0 HA GLU A 104 8.343 0.109 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.605 -1.045 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.981 0.118 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.863 1.334 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.202 1.842 9.669 1.00 0.00 H new ATOM 1614 N LEU A 105 9.300 1.706 6.453 1.00 0.00 N ATOM 1615 CA LEU A 105 9.161 2.973 5.734 1.00 0.00 C ATOM 1616 C LEU A 105 7.696 3.174 5.368 1.00 0.00 C ATOM 1617 O LEU A 105 7.158 4.268 5.527 1.00 0.00 O ATOM 1618 CB LEU A 105 10.052 2.961 4.483 1.00 0.00 C ATOM 1619 CG LEU A 105 11.501 3.358 4.818 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.476 2.817 3.766 1.00 0.00 C ATOM 1621 CD2 LEU A 105 11.619 4.886 4.909 1.00 0.00 C ATOM 0 H LEU A 105 9.942 1.046 6.013 1.00 0.00 H new ATOM 0 HA LEU A 105 9.482 3.803 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.040 1.967 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.648 3.649 3.741 1.00 0.00 H new ATOM 0 HG LEU A 105 11.762 2.920 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.493 3.112 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.410 1.729 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.219 3.225 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.647 5.158 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.337 5.330 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.956 5.256 5.691 1.00 0.00 H new ATOM 1633 N LEU A 106 7.052 2.072 4.985 1.00 0.00 N ATOM 1634 CA LEU A 106 5.636 1.898 4.718 1.00 0.00 C ATOM 1635 C LEU A 106 4.727 2.511 5.781 1.00 0.00 C ATOM 1636 O LEU A 106 3.712 3.124 5.448 1.00 0.00 O ATOM 1637 CB LEU A 106 5.353 0.388 4.646 1.00 0.00 C ATOM 1638 CG LEU A 106 4.881 -0.091 3.283 1.00 0.00 C ATOM 1639 CD1 LEU A 106 4.672 -1.608 3.328 1.00 0.00 C ATOM 1640 CD2 LEU A 106 3.561 0.580 2.914 1.00 0.00 C ATOM 0 H LEU A 106 7.562 1.200 4.842 1.00 0.00 H new ATOM 0 HA LEU A 106 5.416 2.414 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.260 -0.154 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.597 0.135 5.390 1.00 0.00 H new ATOM 0 HG LEU A 106 5.634 0.165 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.333 -1.958 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.612 -2.097 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.922 -1.850 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.235 0.228 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.806 0.331 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.698 1.661 2.883 1.00 0.00 H new ATOM 1652 N LYS A 107 5.054 2.272 7.050 1.00 0.00 N ATOM 1653 CA LYS A 107 4.358 2.798 8.219 1.00 0.00 C ATOM 1654 C LYS A 107 4.637 4.290 8.342 1.00 0.00 C ATOM 1655 O LYS A 107 3.708 5.077 8.511 1.00 0.00 O ATOM 1656 CB LYS A 107 4.836 2.009 9.457 1.00 0.00 C ATOM 1657 CG LYS A 107 4.199 2.574 10.726 1.00 0.00 C ATOM 1658 CD LYS A 107 3.838 1.524 11.777 1.00 0.00 C ATOM 1659 CE LYS A 107 4.983 0.843 12.523 1.00 0.00 C ATOM 1660 NZ LYS A 107 5.876 1.797 13.214 1.00 0.00 N ATOM 0 H LYS A 107 5.846 1.680 7.300 1.00 0.00 H new ATOM 0 HA LYS A 107 3.278 2.678 8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.575 0.956 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.922 2.062 9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.885 3.295 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.297 3.120 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.191 1.998 12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.249 0.749 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.570 0.148 13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.568 0.253 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.602 1.272 13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.335 2.413 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.320 2.378 13.873 1.00 0.00 H new ATOM 1674 N GLN A 108 5.901 4.681 8.239 1.00 0.00 N ATOM 1675 CA GLN A 108 6.315 6.054 8.489 1.00 0.00 C ATOM 1676 C GLN A 108 5.582 6.988 7.527 1.00 0.00 C ATOM 1677 O GLN A 108 4.958 7.955 7.956 1.00 0.00 O ATOM 1678 CB GLN A 108 7.846 6.179 8.386 1.00 0.00 C ATOM 1679 CG GLN A 108 8.598 5.067 9.147 1.00 0.00 C ATOM 1680 CD GLN A 108 9.621 5.581 10.154 1.00 0.00 C ATOM 1681 OE1 GLN A 108 9.447 5.417 11.359 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.699 6.180 9.686 1.00 0.00 N ATOM 0 H GLN A 108 6.665 4.057 7.981 1.00 0.00 H new ATOM 0 HA GLN A 108 6.046 6.347 9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.137 6.152 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.152 7.149 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.872 4.445 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.105 4.427 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.818 6.303 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.413 6.520 10.330 1.00 0.00 H new ATOM 1691 N MET A 109 5.597 6.652 6.234 1.00 0.00 N ATOM 1692 CA MET A 109 4.968 7.396 5.144 1.00 0.00 C ATOM 1693 C MET A 109 3.435 7.348 5.139 1.00 0.00 C ATOM 1694 O MET A 109 2.842 7.858 4.191 1.00 0.00 O ATOM 1695 CB MET A 109 5.529 6.894 3.801 1.00 0.00 C ATOM 1696 CG MET A 109 5.054 5.465 3.498 1.00 0.00 C ATOM 1697 SD MET A 109 5.883 4.521 2.192 1.00 0.00 S ATOM 1698 CE MET A 109 7.612 5.043 2.288 1.00 0.00 C ATOM 0 H MET A 109 6.072 5.812 5.905 1.00 0.00 H new ATOM 0 HA MET A 109 5.216 8.446 5.301 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.213 7.562 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.618 6.920 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.133 4.890 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.995 5.517 3.245 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.260 4.204 2.036 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.785 5.859 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.834 5.381 3.300 1.00 0.00 H new ATOM 1708 N ILE A 110 2.771 6.729 6.121 1.00 0.00 N ATOM 1709 CA ILE A 110 1.327 6.737 6.224 1.00 0.00 C ATOM 1710 C ILE A 110 0.916 7.367 7.555 1.00 0.00 C ATOM 1711 O ILE A 110 0.090 8.273 7.532 1.00 0.00 O ATOM 1712 CB ILE A 110 0.805 5.320 5.922 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.638 5.358 5.441 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.985 4.260 7.020 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.688 5.540 6.529 1.00 0.00 C ATOM 0 H ILE A 110 3.233 6.208 6.866 1.00 0.00 H new ATOM 0 HA ILE A 110 0.846 7.371 5.479 1.00 0.00 H new ATOM 0 HB ILE A 110 1.465 4.978 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.741 6.170 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.849 4.431 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.575 3.309 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.046 4.140 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.462 4.578 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.680 5.553 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.623 4.716 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.513 6.482 7.049 1.00 0.00 H new ATOM 1727 N GLU A 111 1.504 6.960 8.689 1.00 0.00 N ATOM 1728 CA GLU A 111 1.183 7.553 9.984 1.00 0.00 C ATOM 1729 C GLU A 111 1.495 9.046 9.938 1.00 0.00 C ATOM 1730 O GLU A 111 0.628 9.853 10.281 1.00 0.00 O ATOM 1731 CB GLU A 111 1.929 6.862 11.130 1.00 0.00 C ATOM 1732 CG GLU A 111 1.525 5.399 11.304 1.00 0.00 C ATOM 1733 CD GLU A 111 1.956 4.811 12.649 1.00 0.00 C ATOM 1734 OE1 GLU A 111 3.177 4.601 12.842 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.080 4.469 13.480 1.00 0.00 O ATOM 0 H GLU A 111 2.205 6.220 8.730 1.00 0.00 H new ATOM 0 HA GLU A 111 0.120 7.412 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.002 6.918 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.737 7.400 12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.443 5.314 11.208 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.964 4.809 10.499 1.00 0.00 H new ATOM 1742 N PHE A 112 2.665 9.420 9.396 1.00 0.00 N ATOM 1743 CA PHE A 112 2.987 10.819 9.161 1.00 0.00 C ATOM 1744 C PHE A 112 1.924 11.473 8.278 1.00 0.00 C ATOM 1745 O PHE A 112 1.441 12.549 8.607 1.00 0.00 O ATOM 1746 CB PHE A 112 4.354 10.993 8.475 1.00 0.00 C ATOM 1747 CG PHE A 112 4.701 12.451 8.197 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.438 13.445 9.160 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.157 12.845 6.923 1.00 0.00 C ATOM 1750 CE1 PHE A 112 4.616 14.801 8.842 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.376 14.198 6.610 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.096 15.181 7.574 1.00 0.00 C ATOM 0 H PHE A 112 3.397 8.767 9.116 1.00 0.00 H new ATOM 0 HA PHE A 112 3.019 11.297 10.140 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.128 10.555 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.356 10.440 7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.098 13.163 10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.342 12.092 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.383 15.558 9.576 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.756 14.479 5.639 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.248 16.225 7.343 1.00 0.00 H new ATOM 1762 N ASN A 113 1.573 10.850 7.154 1.00 0.00 N ATOM 1763 CA ASN A 113 0.690 11.443 6.156 1.00 0.00 C ATOM 1764 C ASN A 113 -0.724 11.677 6.694 1.00 0.00 C ATOM 1765 O ASN A 113 -1.460 12.459 6.101 1.00 0.00 O ATOM 1766 CB ASN A 113 0.653 10.558 4.904 1.00 0.00 C ATOM 1767 CG ASN A 113 0.565 11.360 3.605 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.408 11.182 2.725 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.422 12.228 3.465 1.00 0.00 N ATOM 0 H ASN A 113 1.896 9.914 6.911 1.00 0.00 H new ATOM 0 HA ASN A 113 1.093 12.422 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.547 9.936 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.202 9.885 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.502 12.775 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.103 12.351 4.214 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.113 11.014 7.788 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.341 11.303 8.519 1.00 0.00 C ATOM 1778 C ILE A 114 -2.081 12.478 9.466 1.00 0.00 C ATOM 1779 O ILE A 114 -2.797 13.474 9.399 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.808 10.051 9.286 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.166 8.887 8.330 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -4.035 10.354 10.174 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -2.997 7.530 9.019 1.00 0.00 C ATOM 0 H ILE A 114 -0.572 10.250 8.193 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.138 11.577 7.828 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.969 9.752 9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.195 8.998 7.988 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.530 8.930 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.336 9.448 10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.777 11.126 10.899 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.858 10.702 9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.256 6.733 8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.962 7.410 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.653 7.479 9.888 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.074 12.393 10.349 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.888 13.411 11.392 1.00 0.00 C ATOM 1797 C GLN A 115 -0.400 14.748 10.828 1.00 0.00 C ATOM 1798 O GLN A 115 -0.381 15.764 11.524 1.00 0.00 O ATOM 1799 CB GLN A 115 0.019 12.887 12.516 1.00 0.00 C ATOM 1800 CG GLN A 115 1.466 12.669 12.084 1.00 0.00 C ATOM 1801 CD GLN A 115 2.321 12.035 13.181 1.00 0.00 C ATOM 1802 OE1 GLN A 115 1.927 11.064 13.816 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.509 12.555 13.439 1.00 0.00 N ATOM 0 H GLN A 115 -0.385 11.641 10.362 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.867 13.612 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.001 13.593 13.346 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.386 11.946 12.889 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.485 12.031 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.903 13.625 11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.838 13.363 12.911 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.097 12.148 14.166 1.00 0.00 H new ATOM 1812 N ASP A 116 0.033 14.763 9.574 1.00 0.00 N ATOM 1813 CA ASP A 116 0.363 15.974 8.827 1.00 0.00 C ATOM 1814 C ASP A 116 -0.901 16.676 8.315 1.00 0.00 C ATOM 1815 O ASP A 116 -0.894 17.885 8.082 1.00 0.00 O ATOM 1816 CB ASP A 116 1.283 15.625 7.655 1.00 0.00 C ATOM 1817 CG ASP A 116 1.909 16.898 7.099 1.00 0.00 C ATOM 1818 OD1 ASP A 116 2.760 17.488 7.808 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.556 17.303 5.967 1.00 0.00 O ATOM 0 H ASP A 116 0.169 13.910 9.032 1.00 0.00 H new ATOM 0 HA ASP A 116 0.877 16.660 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.063 14.938 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.717 15.115 6.875 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.012 15.941 8.200 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.348 16.418 7.837 1.00 0.00 C ATOM 1826 C LYS A 117 -4.146 16.744 9.107 1.00 0.00 C ATOM 1827 O LYS A 117 -5.359 16.514 9.195 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.053 15.380 6.946 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.281 15.041 5.655 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.365 16.082 4.532 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.798 16.176 4.006 1.00 0.00 C ATOM 1832 NZ LYS A 117 -4.876 16.762 2.655 1.00 0.00 N ATOM 0 H LYS A 117 -2.000 14.935 8.369 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.271 17.338 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.203 14.465 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.041 15.755 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.232 14.894 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.652 14.090 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.041 17.055 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.689 15.809 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.240 15.180 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.393 16.778 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.870 16.801 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.481 17.724 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.333 16.175 1.990 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.440 17.242 10.117 1.00 0.00 N ATOM 1847 CA GLU A 118 -3.991 17.858 11.313 1.00 0.00 C ATOM 1848 C GLU A 118 -4.839 19.073 10.959 1.00 0.00 C ATOM 1849 O GLU A 118 -5.680 19.473 11.797 1.00 0.00 O ATOM 1850 CB GLU A 118 -2.853 18.259 12.275 1.00 0.00 C ATOM 1851 CG GLU A 118 -2.957 17.564 13.641 1.00 0.00 C ATOM 1852 CD GLU A 118 -4.222 17.938 14.424 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -4.244 19.019 15.063 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -5.200 17.157 14.418 1.00 0.00 O ATOM 0 H GLU A 118 -2.420 17.225 10.121 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.634 17.130 11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.894 18.013 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.869 19.339 12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.937 16.484 13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.081 17.820 14.237 1.00 0.00 H new TER 1861 GLU A 118